data_17812 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 17812 _Entry.PDB_ID 2LGK save_ save_delta_chem_shifts _Entity_delta_chem_shifts.Sf_category delta_chem_shifts _Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts _Entity_delta_chem_shifts.Model_type single _Entity_delta_chem_shifts.Entry_ID 17812 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_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.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 312 312 GLY N N 312 110.352 110.352 110.700 -0.348 17812 2 1 1 . 1 1 312 312 GLY CA C 312 44.546 44.546 44.687 -0.141 17812 3 1 1 . 1 1 312 312 GLY H H 312 7.809 7.809 8.279 -0.470 17812 4 1 1 . 1 1 313 313 PRO HA H 313 4.433 4.433 4.550 -0.117 17812 5 1 1 . 1 1 313 313 PRO CA C 313 62.527 62.527 62.501 0.026 17812 6 1 1 . 1 1 313 313 PRO CB C 313 31.680 31.680 32.800 -1.121 17812 7 1 1 . 1 1 314 314 SER N N 314 120.711 120.711 114.411 6.300 17812 8 1 1 . 1 1 314 314 SER HA H 314 4.331 4.331 4.178 0.153 17812 9 1 1 . 1 1 314 314 SER C C 314 174.789 174.789 174.544 0.245 17812 10 1 1 . 1 1 314 314 SER CA C 314 60.627 60.627 60.136 0.491 17812 11 1 1 . 1 1 314 314 SER CB C 314 63.925 63.925 63.414 0.511 17812 12 1 1 . 1 1 314 314 SER H H 314 10.435 10.435 8.405 2.030 17812 13 1 1 . 1 1 315 315 CYS N N 315 125.240 125.240 122.015 3.225 17812 14 1 1 . 1 1 315 315 CYS HA H 315 4.698 4.698 4.554 0.144 17812 15 1 1 . 1 1 315 315 CYS C C 315 176.852 176.852 174.057 2.795 17812 16 1 1 . 1 1 315 315 CYS CA C 315 58.281 58.281 58.396 -0.115 17812 17 1 1 . 1 1 315 315 CYS CB C 315 32.487 32.487 28.070 4.417 17812 18 1 1 . 1 1 315 315 CYS H H 315 9.159 9.159 8.024 1.135 17812 19 1 1 . 1 1 316 316 LYS N N 316 127.250 127.250 124.150 3.100 17812 20 1 1 . 1 1 316 316 LYS HA H 316 4.005 4.005 4.348 -0.343 17812 21 1 1 . 1 1 316 316 LYS C C 316 176.341 176.341 176.521 -0.180 17812 22 1 1 . 1 1 316 316 LYS CA C 316 58.026 58.026 57.195 0.831 17812 23 1 1 . 1 1 316 316 LYS CB C 316 32.116 32.116 32.955 -0.839 17812 24 1 1 . 1 1 316 316 LYS H H 316 8.951 8.951 8.424 0.527 17812 25 1 1 . 1 1 317 317 HIS N N 317 121.622 121.622 115.997 5.625 17812 26 1 1 . 1 1 317 317 HIS HA H 317 4.367 4.367 4.702 -0.335 17812 27 1 1 . 1 1 317 317 HIS C C 317 176.348 176.348 175.933 0.415 17812 28 1 1 . 1 1 317 317 HIS CA C 317 59.351 59.351 56.942 2.409 17812 29 1 1 . 1 1 317 317 HIS CB C 317 31.034 31.034 30.056 0.978 17812 30 1 1 . 1 1 317 317 HIS H H 317 8.882 8.882 7.940 0.942 17812 31 1 1 . 1 1 318 318 CYS N N 318 115.222 115.222 117.546 -2.324 17812 32 1 1 . 1 1 318 318 CYS HA H 318 4.839 4.839 4.825 0.014 17812 33 1 1 . 1 1 318 318 CYS C C 318 176.909 176.909 174.951 1.958 17812 34 1 1 . 1 1 318 318 CYS CA C 318 58.040 58.040 56.828 1.212 17812 35 1 1 . 1 1 318 318 CYS CB C 318 31.925 31.925 27.960 3.965 17812 36 1 1 . 1 1 318 318 CYS H H 318 8.081 8.081 8.353 -0.272 17812 37 1 1 . 1 1 319 319 LYS N N 319 119.827 119.827 121.535 -1.708 17812 38 1 1 . 1 1 319 319 LYS HA H 319 3.886 3.886 3.924 -0.038 17812 39 1 1 . 1 1 319 319 LYS C C 319 174.670 174.670 178.269 -3.599 17812 40 1 1 . 1 1 319 319 LYS CA C 319 57.728 57.728 59.962 -2.234 17812 41 1 1 . 1 1 319 319 LYS CB C 319 28.902 28.902 32.292 -3.390 17812 42 1 1 . 1 1 319 319 LYS H H 319 7.895 7.895 8.049 -0.154 17812 43 1 1 . 1 1 320 320 ASP N N 320 117.610 117.610 117.406 0.204 17812 44 1 1 . 1 1 320 320 ASP HA H 320 4.206 4.206 4.487 -0.281 17812 45 1 1 . 1 1 320 320 ASP C C 320 174.861 174.861 177.163 -2.302 17812 46 1 1 . 1 1 320 320 ASP CA C 320 54.551 54.551 56.623 -2.072 17812 47 1 1 . 1 1 320 320 ASP CB C 320 38.354 38.354 40.187 -1.833 17812 48 1 1 . 1 1 320 320 ASP H H 320 8.873 8.873 8.699 0.174 17812 49 1 1 . 1 1 321 321 ASP N N 321 118.813 118.813 118.321 0.492 17812 50 1 1 . 1 1 321 321 ASP HA H 321 4.595 4.595 4.781 -0.186 17812 51 1 1 . 1 1 321 321 ASP C C 321 176.386 176.386 177.284 -0.898 17812 52 1 1 . 1 1 321 321 ASP CA C 321 53.781 53.781 53.666 0.115 17812 53 1 1 . 1 1 321 321 ASP CB C 321 40.782 40.782 40.010 0.772 17812 54 1 1 . 1 1 321 321 ASP H H 321 7.212 7.212 8.230 -1.018 17812 55 1 1 . 1 1 322 322 VAL N N 322 122.228 122.228 121.754 0.474 17812 56 1 1 . 1 1 322 322 VAL HA H 322 3.866 3.866 3.727 0.139 17812 57 1 1 . 1 1 322 322 VAL CA C 322 63.885 63.885 65.822 -1.937 17812 58 1 1 . 1 1 322 322 VAL CB C 322 31.385 31.385 32.260 -0.875 17812 59 1 1 . 1 1 322 322 VAL H H 322 8.060 8.060 7.418 0.642 17812 60 1 1 . 1 1 323 323 ASN N N 323 117.787 117.787 115.865 1.922 17812 61 1 1 . 1 1 323 323 ASN HA H 323 4.710 4.710 4.466 0.244 17812 62 1 1 . 1 1 323 323 ASN CA C 323 54.065 54.065 54.795 -0.730 17812 63 1 1 . 1 1 323 323 ASN CB C 323 38.876 38.876 38.301 0.575 17812 64 1 1 . 1 1 323 323 ASN H H 323 8.486 8.486 8.571 -0.085 17812 65 1 1 . 1 1 324 324 ARG N N 324 120.106 120.106 120.094 0.012 17812 66 1 1 . 1 1 324 324 ARG HA H 324 4.632 4.632 4.305 0.327 17812 67 1 1 . 1 1 324 324 ARG C C 324 175.881 175.881 174.912 0.969 17812 68 1 1 . 1 1 324 324 ARG CA C 324 54.488 54.488 55.491 -1.003 17812 69 1 1 . 1 1 324 324 ARG CB C 324 32.709 32.709 31.385 1.324 17812 70 1 1 . 1 1 324 324 ARG H H 324 7.955 7.955 7.934 0.021 17812 71 1 1 . 1 1 325 325 LEU N N 325 123.983 123.983 121.338 2.645 17812 72 1 1 . 1 1 325 325 LEU HA H 325 4.422 4.422 4.444 -0.022 17812 73 1 1 . 1 1 325 325 LEU C C 325 177.647 177.647 176.596 1.051 17812 74 1 1 . 1 1 325 325 LEU CA C 325 54.910 54.910 55.120 -0.210 17812 75 1 1 . 1 1 325 325 LEU CB C 325 42.720 42.720 42.879 -0.159 17812 76 1 1 . 1 1 325 325 LEU H H 325 8.423 8.423 8.193 0.230 17812 77 1 1 . 1 1 326 326 CYS N N 326 123.693 123.693 124.730 -1.037 17812 78 1 1 . 1 1 326 326 CYS HA H 326 4.474 4.474 4.821 -0.347 17812 79 1 1 . 1 1 326 326 CYS C C 326 174.472 174.472 175.641 -1.169 17812 80 1 1 . 1 1 326 326 CYS CA C 326 60.503 60.503 57.168 3.335 17812 81 1 1 . 1 1 326 326 CYS CB C 326 32.551 32.551 30.787 1.764 17812 82 1 1 . 1 1 326 326 CYS H H 326 9.277 9.277 8.586 0.691 17812 83 1 1 . 1 1 327 327 ARG N N 327 126.881 126.881 122.743 4.138 17812 84 1 1 . 1 1 327 327 ARG HA H 327 4.579 4.579 4.082 0.497 17812 85 1 1 . 1 1 327 327 ARG C C 327 175.128 175.128 177.888 -2.760 17812 86 1 1 . 1 1 327 327 ARG CA C 327 56.522 56.522 58.877 -2.355 17812 87 1 1 . 1 1 327 327 ARG CB C 327 29.116 29.116 30.183 -1.067 17812 88 1 1 . 1 1 327 327 ARG H H 327 8.880 8.880 8.626 0.254 17812 89 1 1 . 1 1 328 328 VAL N N 328 123.112 123.112 118.761 4.351 17812 90 1 1 . 1 1 328 328 VAL HA H 328 4.139 4.139 3.840 0.299 17812 91 1 1 . 1 1 328 328 VAL C C 328 176.618 176.618 176.832 -0.214 17812 92 1 1 . 1 1 328 328 VAL CA C 328 65.790 65.790 65.404 0.386 17812 93 1 1 . 1 1 328 328 VAL CB C 328 32.296 32.296 32.084 0.212 17812 94 1 1 . 1 1 328 328 VAL H H 328 9.058 9.058 7.831 1.227 17812 95 1 1 . 1 1 329 329 CYS N N 329 117.822 117.822 116.942 0.880 17812 96 1 1 . 1 1 329 329 CYS HA H 329 4.975 4.975 4.734 0.241 17812 97 1 1 . 1 1 329 329 CYS C C 329 174.466 174.466 173.091 1.375 17812 98 1 1 . 1 1 329 329 CYS CA C 329 58.446 58.446 56.411 2.035 17812 99 1 1 . 1 1 329 329 CYS CB C 329 31.850 31.850 25.448 6.402 17812 100 1 1 . 1 1 329 329 CYS H H 329 8.372 8.372 7.642 0.730 17812 101 1 1 . 1 1 330 330 ALA N N 330 130.671 130.671 123.595 7.076 17812 102 1 1 . 1 1 330 330 ALA HA H 330 4.575 4.575 4.539 0.036 17812 103 1 1 . 1 1 330 330 ALA C C 330 175.000 175.000 175.212 -0.212 17812 104 1 1 . 1 1 330 330 ALA CA C 330 50.393 50.393 51.082 -0.689 17812 105 1 1 . 1 1 330 330 ALA CB C 330 19.244 19.244 20.790 -1.546 17812 106 1 1 . 1 1 330 330 ALA H H 330 7.030 7.030 7.545 -0.515 17812 107 1 1 . 1 1 331 331 CYS N N 331 118.585 118.585 119.481 -0.896 17812 108 1 1 . 1 1 331 331 CYS HA H 331 3.587 3.587 4.604 -1.017 17812 109 1 1 . 1 1 331 331 CYS C C 331 177.953 177.953 176.888 1.065 17812 110 1 1 . 1 1 331 331 CYS CA C 331 60.241 60.241 59.023 1.218 17812 111 1 1 . 1 1 331 331 CYS CB C 331 30.524 30.524 27.869 2.655 17812 112 1 1 . 1 1 331 331 CYS H H 331 7.081 7.081 8.842 -1.761 17812 113 1 1 . 1 1 332 332 HIS N N 332 127.546 127.546 127.292 0.254 17812 114 1 1 . 1 1 332 332 HIS HA H 332 4.752 4.752 4.246 0.506 17812 115 1 1 . 1 1 332 332 HIS C C 332 174.236 174.236 175.199 -0.963 17812 116 1 1 . 1 1 332 332 HIS CA C 332 56.287 56.287 58.464 -2.177 17812 117 1 1 . 1 1 332 332 HIS CB C 332 28.769 28.769 29.967 -1.198 17812 118 1 1 . 1 1 332 332 HIS H H 332 9.757 9.757 8.860 0.897 17812 119 1 1 . 1 1 333 333 LEU N N 333 118.061 118.061 116.302 1.759 17812 120 1 1 . 1 1 333 333 LEU HA H 333 4.580 4.580 4.082 0.498 17812 121 1 1 . 1 1 333 333 LEU C C 333 177.564 177.564 178.677 -1.113 17812 122 1 1 . 1 1 333 333 LEU CA C 333 56.046 56.046 55.545 0.500 17812 123 1 1 . 1 1 333 333 LEU CB C 333 42.986 42.986 42.590 0.396 17812 124 1 1 . 1 1 333 333 LEU H H 333 8.773 8.773 7.577 1.196 17812 125 1 1 . 1 1 334 334 CYS N N 334 118.393 118.393 115.422 2.971 17812 126 1 1 . 1 1 334 334 CYS HA H 334 5.084 5.084 4.433 0.651 17812 127 1 1 . 1 1 334 334 CYS C C 334 176.736 176.736 176.218 0.518 17812 128 1 1 . 1 1 334 334 CYS CA C 334 58.973 58.973 59.869 -0.896 17812 129 1 1 . 1 1 334 334 CYS CB C 334 32.481 32.481 27.695 4.786 17812 130 1 1 . 1 1 334 334 CYS H H 334 8.310 8.310 8.298 0.012 17812 131 1 1 . 1 1 335 335 GLY N N 335 115.992 115.992 110.477 5.515 17812 132 1 1 . 1 1 335 335 GLY C C 335 172.059 172.059 174.618 -2.559 17812 133 1 1 . 1 1 335 335 GLY CA C 335 45.652 45.652 45.064 0.588 17812 134 1 1 . 1 1 335 335 GLY H H 335 8.596 8.596 8.720 -0.124 17812 135 1 1 . 1 1 336 336 GLY N N 336 111.360 111.360 106.822 4.538 17812 136 1 1 . 1 1 336 336 GLY C C 336 174.101 174.101 173.544 0.557 17812 137 1 1 . 1 1 336 336 GLY CA C 336 44.987 44.987 43.931 1.056 17812 138 1 1 . 1 1 336 336 GLY H H 336 9.594 9.594 7.816 1.778 17812 139 1 1 . 1 1 337 337 ARG N N 337 118.859 118.859 119.278 -0.419 17812 140 1 1 . 1 1 337 337 ARG HA H 337 4.413 4.413 4.581 -0.168 17812 141 1 1 . 1 1 337 337 ARG C C 337 177.635 177.635 176.711 0.924 17812 142 1 1 . 1 1 337 337 ARG CA C 337 55.364 55.364 55.589 -0.225 17812 143 1 1 . 1 1 337 337 ARG CB C 337 31.337 31.337 30.297 1.040 17812 144 1 1 . 1 1 337 337 ARG H H 337 8.827 8.827 8.562 0.265 17812 145 1 1 . 1 1 338 338 GLN N N 338 120.950 120.950 119.077 1.873 17812 146 1 1 . 1 1 338 338 GLN HA H 338 4.376 4.376 4.128 0.248 17812 147 1 1 . 1 1 338 338 GLN C C 338 176.420 176.420 175.979 0.441 17812 148 1 1 . 1 1 338 338 GLN CA C 338 55.694 55.694 58.366 -2.672 17812 149 1 1 . 1 1 338 338 GLN CB C 338 28.096 28.096 28.988 -0.892 17812 150 1 1 . 1 1 338 338 GLN H H 338 9.568 9.568 8.439 1.129 17812 151 1 1 . 1 1 339 339 ASP N N 339 117.880 117.880 115.036 2.844 17812 152 1 1 . 1 1 339 339 ASP HA H 339 4.625 4.625 4.877 -0.252 17812 153 1 1 . 1 1 339 339 ASP CA C 339 55.283 55.283 52.995 2.288 17812 154 1 1 . 1 1 339 339 ASP CB C 339 41.092 41.092 40.544 0.548 17812 155 1 1 . 1 1 339 339 ASP H H 339 9.681 9.681 8.071 1.610 17812 156 1 1 . 1 1 340 340 PRO HA H 340 4.140 4.140 3.809 0.331 17812 157 1 1 . 1 1 340 340 PRO C C 340 177.463 177.463 178.088 -0.625 17812 158 1 1 . 1 1 340 340 PRO CA C 340 65.883 65.883 64.549 1.334 17812 159 1 1 . 1 1 340 340 PRO CB C 340 30.045 30.045 31.861 -1.817 17812 160 1 1 . 1 1 341 341 ASP N N 341 115.117 115.117 117.341 -2.224 17812 161 1 1 . 1 1 341 341 ASP HA H 341 4.642 4.642 4.391 0.251 17812 162 1 1 . 1 1 341 341 ASP C C 341 175.663 175.663 176.836 -1.173 17812 163 1 1 . 1 1 341 341 ASP CA C 341 54.735 54.735 55.904 -1.169 17812 164 1 1 . 1 1 341 341 ASP CB C 341 39.135 39.135 39.849 -0.714 17812 165 1 1 . 1 1 341 341 ASP H H 341 9.176 9.176 8.216 0.960 17812 166 1 1 . 1 1 342 342 LYS N N 342 117.582 117.582 116.614 0.968 17812 167 1 1 . 1 1 342 342 LYS HA H 342 4.351 4.351 4.384 -0.033 17812 168 1 1 . 1 1 342 342 LYS CA C 342 54.496 54.496 55.475 -0.979 17812 169 1 1 . 1 1 342 342 LYS CB C 342 33.968 33.968 33.030 0.938 17812 170 1 1 . 1 1 342 342 LYS H H 342 8.056 8.056 7.554 0.502 17812 171 1 1 . 1 1 343 343 GLN N N 343 119.535 119.535 120.145 -0.610 17812 172 1 1 . 1 1 343 343 GLN HA H 343 4.510 4.510 4.042 0.468 17812 173 1 1 . 1 1 343 343 GLN C C 343 175.176 175.176 174.761 0.415 17812 174 1 1 . 1 1 343 343 GLN CA C 343 54.652 54.652 55.036 -0.384 17812 175 1 1 . 1 1 343 343 GLN CB C 343 29.270 29.270 28.872 0.398 17812 176 1 1 . 1 1 343 343 GLN H H 343 7.174 7.174 7.197 -0.023 17812 177 1 1 . 1 1 344 344 LEU N N 344 124.836 124.836 127.070 -2.234 17812 178 1 1 . 1 1 344 344 LEU HA H 344 4.307 4.307 4.520 -0.213 17812 179 1 1 . 1 1 344 344 LEU CA C 344 53.564 53.564 53.739 -0.175 17812 180 1 1 . 1 1 344 344 LEU CB C 344 44.381 44.381 43.480 0.901 17812 181 1 1 . 1 1 344 344 LEU H H 344 8.215 8.215 8.516 -0.301 17812 182 1 1 . 1 1 345 345 MET N N 345 119.349 119.349 119.290 0.059 17812 183 1 1 . 1 1 345 345 MET HA H 345 5.433 5.433 5.455 -0.022 17812 184 1 1 . 1 1 345 345 MET C C 345 175.462 175.462 175.913 -0.451 17812 185 1 1 . 1 1 345 345 MET CA C 345 52.877 52.877 53.986 -1.109 17812 186 1 1 . 1 1 345 345 MET CB C 345 32.312 32.312 35.635 -3.323 17812 187 1 1 . 1 1 345 345 MET H H 345 8.086 8.086 8.164 -0.078 17812 188 1 1 . 1 1 346 346 CYS N N 346 124.792 124.792 124.901 -0.109 17812 189 1 1 . 1 1 346 346 CYS HA H 346 4.751 4.751 4.612 0.139 17812 190 1 1 . 1 1 346 346 CYS C C 346 177.998 177.998 176.227 1.771 17812 191 1 1 . 1 1 346 346 CYS CA C 346 60.088 60.088 58.417 1.671 17812 192 1 1 . 1 1 346 346 CYS CB C 346 32.345 32.345 28.974 3.371 17812 193 1 1 . 1 1 346 346 CYS H H 346 9.088 9.088 9.214 -0.126 17812 194 1 1 . 1 1 347 347 ASP N N 347 129.440 129.440 128.315 1.125 17812 195 1 1 . 1 1 347 347 ASP HA H 347 4.624 4.624 4.654 -0.030 17812 196 1 1 . 1 1 347 347 ASP C C 347 174.755 174.755 177.762 -3.007 17812 197 1 1 . 1 1 347 347 ASP CA C 347 57.932 57.932 56.619 1.313 17812 198 1 1 . 1 1 347 347 ASP CB C 347 41.115 41.115 40.926 0.189 17812 199 1 1 . 1 1 347 347 ASP H H 347 9.154 9.154 8.709 0.445 17812 200 1 1 . 1 1 348 348 GLU N N 348 124.253 124.253 118.281 5.972 17812 201 1 1 . 1 1 348 348 GLU HA H 348 4.895 4.895 4.238 0.657 17812 202 1 1 . 1 1 348 348 GLU C C 348 176.439 176.439 177.468 -1.029 17812 203 1 1 . 1 1 348 348 GLU CA C 348 58.673 58.673 58.573 0.100 17812 204 1 1 . 1 1 348 348 GLU CB C 348 30.510 30.510 30.088 0.422 17812 205 1 1 . 1 1 348 348 GLU H H 348 9.615 9.615 8.804 0.811 17812 206 1 1 . 1 1 349 349 CYS N N 349 119.153 119.153 116.581 2.572 17812 207 1 1 . 1 1 349 349 CYS HA H 349 4.778 4.778 4.708 0.070 17812 208 1 1 . 1 1 349 349 CYS CA C 349 60.216 60.216 59.134 1.082 17812 209 1 1 . 1 1 349 349 CYS CB C 349 32.008 32.008 28.440 3.568 17812 210 1 1 . 1 1 349 349 CYS H H 349 8.522 8.522 7.692 0.830 17812 211 1 1 . 1 1 350 350 ASP N N 350 115.218 115.218 118.494 -3.276 17812 212 1 1 . 1 1 350 350 ASP HA H 350 4.492 4.492 4.408 0.084 17812 213 1 1 . 1 1 350 350 ASP CA C 350 55.086 55.086 55.706 -0.620 17812 214 1 1 . 1 1 350 350 ASP CB C 350 41.386 41.386 38.286 3.100 17812 215 1 1 . 1 1 350 350 ASP H H 350 7.813 7.813 8.689 -0.876 17812 216 1 1 . 1 1 351 351 MET N N 351 117.029 117.029 116.301 0.728 17812 217 1 1 . 1 1 351 351 MET HA H 351 4.520 4.520 4.759 -0.239 17812 218 1 1 . 1 1 351 351 MET C C 351 173.497 173.497 174.376 -0.879 17812 219 1 1 . 1 1 351 351 MET CA C 351 54.706 54.706 54.147 0.559 17812 220 1 1 . 1 1 351 351 MET CB C 351 34.605 34.605 36.842 -2.237 17812 221 1 1 . 1 1 351 351 MET H H 351 8.162 8.162 7.523 0.639 17812 222 1 1 . 1 1 352 352 ALA N N 352 123.068 123.068 122.681 0.387 17812 223 1 1 . 1 1 352 352 ALA HA H 352 5.528 5.528 5.148 0.380 17812 224 1 1 . 1 1 352 352 ALA C C 352 177.545 177.545 176.359 1.186 17812 225 1 1 . 1 1 352 352 ALA CA C 352 49.943 49.943 51.407 -1.464 17812 226 1 1 . 1 1 352 352 ALA CB C 352 22.111 22.111 20.371 1.740 17812 227 1 1 . 1 1 352 352 ALA H H 352 8.499 8.499 8.493 0.006 17812 228 1 1 . 1 1 353 353 PHE N N 353 116.057 116.057 118.917 -2.860 17812 229 1 1 . 1 1 353 353 PHE HA H 353 5.106 5.106 4.944 0.162 17812 230 1 1 . 1 1 353 353 PHE C C 353 176.868 176.868 176.897 -0.029 17812 231 1 1 . 1 1 353 353 PHE CA C 353 56.416 56.416 57.033 -0.617 17812 232 1 1 . 1 1 353 353 PHE CB C 353 43.111 43.111 43.316 -0.205 17812 233 1 1 . 1 1 353 353 PHE H H 353 9.164 9.164 8.252 0.912 17812 234 1 1 . 1 1 354 354 HIS N N 354 124.053 124.053 122.047 2.006 17812 235 1 1 . 1 1 354 354 HIS HA H 354 4.650 4.650 4.325 0.325 17812 236 1 1 . 1 1 354 354 HIS C C 354 180.505 180.505 176.964 3.541 17812 237 1 1 . 1 1 354 354 HIS CA C 354 58.931 58.931 57.349 1.582 17812 238 1 1 . 1 1 354 354 HIS CB C 354 31.235 31.235 29.582 1.653 17812 239 1 1 . 1 1 354 354 HIS H H 354 9.388 9.388 9.083 0.305 17812 240 1 1 . 1 1 355 355 ILE N N 355 115.081 115.081 117.403 -2.322 17812 241 1 1 . 1 1 355 355 ILE HA H 355 3.928 3.928 3.665 0.263 17812 242 1 1 . 1 1 355 355 ILE C C 355 175.451 175.451 175.902 -0.451 17812 243 1 1 . 1 1 355 355 ILE CA C 355 65.726 65.726 64.072 1.654 17812 244 1 1 . 1 1 355 355 ILE CB C 355 36.292 36.292 36.839 -0.547 17812 245 1 1 . 1 1 355 355 ILE H H 355 8.568 8.568 8.351 0.217 17812 246 1 1 . 1 1 356 356 TYR N N 356 110.787 110.787 113.362 -2.575 17812 247 1 1 . 1 1 356 356 TYR HA H 356 4.801 4.801 4.609 0.192 17812 248 1 1 . 1 1 356 356 TYR C C 356 177.073 177.073 175.487 1.586 17812 249 1 1 . 1 1 356 356 TYR CA C 356 55.362 55.362 57.943 -2.581 17812 250 1 1 . 1 1 356 356 TYR CB C 356 36.767 36.767 38.594 -1.827 17812 251 1 1 . 1 1 356 356 TYR H H 356 6.117 6.117 7.528 -1.411 17812 252 1 1 . 1 1 357 357 CYS N N 357 121.584 121.584 117.413 4.171 17812 253 1 1 . 1 1 357 357 CYS HA H 357 4.537 4.537 3.657 0.880 17812 254 1 1 . 1 1 357 357 CYS C C 357 174.868 174.868 175.420 -0.552 17812 255 1 1 . 1 1 357 357 CYS CA C 357 62.349 62.349 59.112 3.237 17812 256 1 1 . 1 1 357 357 CYS CB C 357 31.087 31.087 25.809 5.278 17812 257 1 1 . 1 1 357 357 CYS H H 357 7.603 7.603 6.539 1.064 17812 258 1 1 . 1 1 358 358 LEU N N 358 119.134 119.134 121.240 -2.106 17812 259 1 1 . 1 1 358 358 LEU HA H 358 4.040 4.040 4.225 -0.185 17812 260 1 1 . 1 1 358 358 LEU CA C 358 55.465 55.465 55.238 0.227 17812 261 1 1 . 1 1 358 358 LEU CB C 358 44.020 44.020 42.046 1.974 17812 262 1 1 . 1 1 358 358 LEU H H 358 6.387 6.387 7.452 -1.065 17812 263 1 1 . 1 1 359 359 ASP N N 359 117.020 117.020 121.626 -4.606 17812 264 1 1 . 1 1 359 359 ASP HA H 359 4.985 4.985 4.489 0.496 17812 265 1 1 . 1 1 359 359 ASP CA C 359 50.354 50.354 56.378 -6.024 17812 266 1 1 . 1 1 359 359 ASP CB C 359 43.465 43.465 39.521 3.944 17812 267 1 1 . 1 1 359 359 ASP H H 359 8.167 8.167 8.459 -0.292 17812 268 1 1 . 1 1 360 360 PRO HA H 360 5.202 5.202 4.562 0.640 17812 269 1 1 . 1 1 360 360 PRO CA C 360 62.131 62.131 62.101 0.030 17812 270 1 1 . 1 1 360 360 PRO CB C 360 33.173 33.173 31.309 1.864 17812 271 1 1 . 1 1 361 361 PRO HA H 361 4.462 4.462 4.511 -0.049 17812 272 1 1 . 1 1 361 361 PRO C C 361 177.733 177.733 177.130 0.603 17812 273 1 1 . 1 1 361 361 PRO CA C 361 63.068 63.068 62.013 1.056 17812 274 1 1 . 1 1 361 361 PRO CB C 361 32.301 32.301 32.761 -0.460 17812 275 1 1 . 1 1 362 362 LEU N N 362 121.043 121.043 121.112 -0.069 17812 276 1 1 . 1 1 362 362 LEU HA H 362 4.761 4.761 4.453 0.308 17812 277 1 1 . 1 1 362 362 LEU C C 362 177.392 177.392 178.237 -0.845 17812 278 1 1 . 1 1 362 362 LEU CA C 362 53.621 53.621 54.869 -1.248 17812 279 1 1 . 1 1 362 362 LEU CB C 362 43.759 43.759 42.019 1.740 17812 280 1 1 . 1 1 362 362 LEU H H 362 7.798 7.798 8.259 -0.461 17812 281 1 1 . 1 1 363 363 SER N N 363 115.324 115.324 116.233 -0.909 17812 282 1 1 . 1 1 363 363 SER HA H 363 4.377 4.377 4.280 0.097 17812 283 1 1 . 1 1 363 363 SER C C 363 174.070 174.070 175.022 -0.952 17812 284 1 1 . 1 1 363 363 SER CA C 363 59.341 59.341 60.071 -0.730 17812 285 1 1 . 1 1 363 363 SER CB C 363 63.871 63.871 63.629 0.242 17812 286 1 1 . 1 1 363 363 SER H H 363 8.899 8.899 8.667 0.232 17812 287 1 1 . 1 1 364 364 SER N N 364 112.898 112.898 113.632 -0.734 17812 288 1 1 . 1 1 364 364 SER HA H 364 4.451 4.451 4.546 -0.095 17812 289 1 1 . 1 1 364 364 SER C C 364 173.066 173.066 172.874 0.192 17812 290 1 1 . 1 1 364 364 SER CA C 364 56.852 56.852 57.900 -1.048 17812 291 1 1 . 1 1 364 364 SER CB C 364 65.197 65.197 64.385 0.812 17812 292 1 1 . 1 1 364 364 SER H H 364 7.460 7.460 7.732 -0.272 17812 293 1 1 . 1 1 365 365 VAL N N 365 123.433 123.433 124.980 -1.547 17812 294 1 1 . 1 1 365 365 VAL HA H 365 3.820 3.820 4.494 -0.674 17812 295 1 1 . 1 1 365 365 VAL CA C 365 61.613 61.613 58.710 2.903 17812 296 1 1 . 1 1 365 365 VAL CB C 365 32.428 32.428 33.057 -0.629 17812 297 1 1 . 1 1 365 365 VAL H H 365 8.695 8.695 8.339 0.356 17812 298 1 1 . 1 1 366 366 PRO HA H 366 4.457 4.457 4.729 -0.272 17812 299 1 1 . 1 1 366 366 PRO C C 366 175.679 175.679 176.115 -0.436 17812 300 1 1 . 1 1 366 366 PRO CA C 366 63.224 63.224 62.584 0.640 17812 301 1 1 . 1 1 366 366 PRO CB C 366 32.526 32.526 32.548 -0.022 17812 302 1 1 . 1 1 367 367 SER N N 367 116.079 116.079 118.535 -2.456 17812 303 1 1 . 1 1 367 367 SER HA H 367 4.456 4.456 4.437 0.019 17812 304 1 1 . 1 1 367 367 SER C C 367 174.796 174.796 176.066 -1.270 17812 305 1 1 . 1 1 367 367 SER CA C 367 58.855 58.855 59.482 -0.627 17812 306 1 1 . 1 1 367 367 SER CB C 367 64.091 64.091 64.144 -0.053 17812 307 1 1 . 1 1 367 367 SER H H 367 8.648 8.648 8.678 -0.030 17812 308 1 1 . 1 1 368 368 GLU N N 368 122.642 122.642 121.478 1.164 17812 309 1 1 . 1 1 368 368 GLU HA H 368 4.275 4.275 4.255 0.020 17812 310 1 1 . 1 1 368 368 GLU CA C 368 57.631 57.631 57.483 0.148 17812 311 1 1 . 1 1 368 368 GLU CB C 368 30.124 30.124 30.050 0.074 17812 312 1 1 . 1 1 368 368 GLU H H 368 8.629 8.629 8.501 0.128 17812 313 1 1 . 1 1 369 369 ASP N N 369 120.686 120.686 120.185 0.501 17812 314 1 1 . 1 1 369 369 ASP HA H 369 4.332 4.332 4.580 -0.248 17812 315 1 1 . 1 1 369 369 ASP CA C 369 57.181 57.181 53.866 3.315 17812 316 1 1 . 1 1 369 369 ASP CB C 369 41.404 41.404 41.248 0.156 17812 317 1 1 . 1 1 369 369 ASP H H 369 8.614 8.614 8.046 0.568 17812 318 1 1 . 1 1 370 370 GLU N N 370 115.631 115.631 123.642 -8.011 17812 319 1 1 . 1 1 370 370 GLU HA H 370 4.861 4.861 4.212 0.649 17812 320 1 1 . 1 1 370 370 GLU C C 370 175.047 175.047 175.795 -0.748 17812 321 1 1 . 1 1 370 370 GLU CA C 370 54.687 54.687 56.719 -2.032 17812 322 1 1 . 1 1 370 370 GLU CB C 370 32.837 32.837 30.159 2.678 17812 323 1 1 . 1 1 370 370 GLU H H 370 7.823 7.823 8.584 -0.761 17812 324 1 1 . 1 1 371 371 TRP N N 371 124.056 124.056 125.733 -1.677 17812 325 1 1 . 1 1 371 371 TRP HA H 371 4.311 4.311 4.690 -0.379 17812 326 1 1 . 1 1 371 371 TRP C C 371 171.586 171.586 173.676 -2.090 17812 327 1 1 . 1 1 371 371 TRP CA C 371 59.845 59.845 56.157 3.688 17812 328 1 1 . 1 1 371 371 TRP CB C 371 31.317 31.317 30.290 1.027 17812 329 1 1 . 1 1 371 371 TRP H H 371 9.205 9.205 8.430 0.775 17812 330 1 1 . 1 1 372 372 TYR N N 372 122.933 122.933 122.796 0.137 17812 331 1 1 . 1 1 372 372 TYR HA H 372 5.217 5.217 4.126 1.091 17812 332 1 1 . 1 1 372 372 TYR C C 372 173.821 173.821 175.293 -1.472 17812 333 1 1 . 1 1 372 372 TYR CA C 372 54.963 54.963 55.243 -0.280 17812 334 1 1 . 1 1 372 372 TYR CB C 372 41.593 41.593 40.247 1.346 17812 335 1 1 . 1 1 372 372 TYR H H 372 6.907 6.907 7.905 -0.998 17812 336 1 1 . 1 1 373 373 CYS N N 373 127.647 127.647 119.261 8.386 17812 337 1 1 . 1 1 373 373 CYS HA H 373 3.530 3.530 3.417 0.113 17812 338 1 1 . 1 1 373 373 CYS CA C 373 57.539 57.539 55.556 1.983 17812 339 1 1 . 1 1 373 373 CYS CB C 373 30.549 30.549 26.347 4.202 17812 340 1 1 . 1 1 373 373 CYS H H 373 9.310 9.310 7.940 1.370 17812 341 1 1 . 1 1 374 374 PRO HA H 374 3.987 3.987 3.969 0.018 17812 342 1 1 . 1 1 374 374 PRO C C 374 178.008 178.008 178.856 -0.848 17812 343 1 1 . 1 1 374 374 PRO CA C 374 65.504 65.504 65.721 -0.217 17812 344 1 1 . 1 1 374 374 PRO CB C 374 32.293 32.293 31.735 0.558 17812 345 1 1 . 1 1 375 375 GLU N N 375 116.759 116.759 117.295 -0.536 17812 346 1 1 . 1 1 375 375 GLU HA H 375 4.237 4.237 4.071 0.166 17812 347 1 1 . 1 1 375 375 GLU C C 375 177.054 177.054 177.361 -0.307 17812 348 1 1 . 1 1 375 375 GLU CA C 375 58.479 58.479 58.958 -0.479 17812 349 1 1 . 1 1 375 375 GLU CB C 375 30.939 30.939 29.421 1.518 17812 350 1 1 . 1 1 375 375 GLU H H 375 8.111 8.111 8.673 -0.562 17812 351 1 1 . 1 1 376 376 CYS N N 376 122.642 122.642 116.506 6.136 17812 352 1 1 . 1 1 376 376 CYS HA H 376 4.055 4.055 4.172 -0.117 17812 353 1 1 . 1 1 376 376 CYS CA C 376 62.498 62.498 62.047 0.451 17812 354 1 1 . 1 1 376 376 CYS CB C 376 31.379 31.379 26.902 4.477 17812 355 1 1 . 1 1 376 376 CYS H H 376 8.075 8.075 7.356 0.719 17812 356 1 1 . 1 1 377 377 ARG N N 377 117.680 117.680 119.730 -2.050 17812 357 1 1 . 1 1 377 377 ARG HA H 377 3.948 3.948 4.014 -0.066 17812 358 1 1 . 1 1 377 377 ARG C C 377 56.425 56.425 177.719 -121.294 17812 359 1 1 . 1 1 377 377 ARG CB C 377 30.678 30.678 30.073 0.605 17812 360 1 1 . 1 1 377 377 ARG H H 377 7.856 7.856 7.832 0.024 17812 361 1 1 . 1 1 378 378 ASN N N 378 119.726 119.726 115.855 3.871 17812 362 1 1 . 1 1 378 378 ASN HA H 378 4.695 4.695 4.706 -0.011 17812 363 1 1 . 1 1 378 378 ASN C C 378 173.554 173.554 174.752 -1.198 17812 364 1 1 . 1 1 378 378 ASN CA C 378 53.204 53.204 53.321 -0.117 17812 365 1 1 . 1 1 378 378 ASN CB C 378 39.516 39.516 38.605 0.911 17812 366 1 1 . 1 1 378 378 ASN H H 378 8.189 8.189 8.013 0.176 17812 367 1 2 . 1 1 312 312 GLY N N 312 110.352 110.352 110.368 -0.016 17812 368 1 2 . 1 1 312 312 GLY CA C 312 44.546 44.546 44.270 0.276 17812 369 1 2 . 1 1 312 312 GLY H H 312 7.809 7.809 8.214 -0.405 17812 370 1 2 . 1 1 313 313 PRO HA H 313 4.433 4.433 4.433 -0.000 17812 371 1 2 . 1 1 313 313 PRO CA C 313 62.527 62.527 63.240 -0.713 17812 372 1 2 . 1 1 313 313 PRO CB C 313 31.680 31.680 32.332 -0.652 17812 373 1 2 . 1 1 314 314 SER N N 314 120.711 120.711 116.612 4.099 17812 374 1 2 . 1 1 314 314 SER HA H 314 4.331 4.331 4.289 0.042 17812 375 1 2 . 1 1 314 314 SER C C 314 174.789 174.789 174.491 0.298 17812 376 1 2 . 1 1 314 314 SER CA C 314 60.627 60.627 59.455 1.172 17812 377 1 2 . 1 1 314 314 SER CB C 314 63.925 63.925 63.025 0.900 17812 378 1 2 . 1 1 314 314 SER H H 314 10.435 10.435 8.413 2.022 17812 379 1 2 . 1 1 315 315 CYS N N 315 125.240 125.240 121.654 3.586 17812 380 1 2 . 1 1 315 315 CYS HA H 315 4.698 4.698 4.708 -0.010 17812 381 1 2 . 1 1 315 315 CYS C C 315 176.852 176.852 174.738 2.114 17812 382 1 2 . 1 1 315 315 CYS CA C 315 58.281 58.281 58.057 0.224 17812 383 1 2 . 1 1 315 315 CYS CB C 315 32.487 32.487 28.485 4.002 17812 384 1 2 . 1 1 315 315 CYS H H 315 9.159 9.159 7.975 1.184 17812 385 1 2 . 1 1 316 316 LYS N N 316 127.250 127.250 125.847 1.403 17812 386 1 2 . 1 1 316 316 LYS HA H 316 4.005 4.005 4.326 -0.321 17812 387 1 2 . 1 1 316 316 LYS C C 316 176.341 176.341 177.486 -1.145 17812 388 1 2 . 1 1 316 316 LYS CA C 316 58.026 58.026 57.868 0.158 17812 389 1 2 . 1 1 316 316 LYS CB C 316 32.116 32.116 32.619 -0.503 17812 390 1 2 . 1 1 316 316 LYS H H 316 8.951 8.951 8.649 0.302 17812 391 1 2 . 1 1 317 317 HIS N N 317 121.622 121.622 118.762 2.860 17812 392 1 2 . 1 1 317 317 HIS HA H 317 4.367 4.367 4.517 -0.150 17812 393 1 2 . 1 1 317 317 HIS C C 317 176.348 176.348 176.910 -0.562 17812 394 1 2 . 1 1 317 317 HIS CA C 317 59.351 59.351 59.080 0.272 17812 395 1 2 . 1 1 317 317 HIS CB C 317 31.034 31.034 29.393 1.641 17812 396 1 2 . 1 1 317 317 HIS H H 317 8.882 8.882 7.975 0.907 17812 397 1 2 . 1 1 318 318 CYS N N 318 115.222 115.222 117.296 -2.074 17812 398 1 2 . 1 1 318 318 CYS HA H 318 4.839 4.839 4.339 0.500 17812 399 1 2 . 1 1 318 318 CYS C C 318 176.909 176.909 176.035 0.874 17812 400 1 2 . 1 1 318 318 CYS CA C 318 58.040 58.040 61.585 -3.545 17812 401 1 2 . 1 1 318 318 CYS CB C 318 31.925 31.925 26.131 5.794 17812 402 1 2 . 1 1 318 318 CYS H H 318 8.081 8.081 7.835 0.246 17812 403 1 2 . 1 1 319 319 LYS N N 319 119.827 119.827 118.469 1.358 17812 404 1 2 . 1 1 319 319 LYS HA H 319 3.886 3.886 4.042 -0.155 17812 405 1 2 . 1 1 319 319 LYS C C 319 174.670 174.670 178.272 -3.602 17812 406 1 2 . 1 1 319 319 LYS CA C 319 57.728 57.728 59.207 -1.479 17812 407 1 2 . 1 1 319 319 LYS CB C 319 28.902 28.902 32.312 -3.410 17812 408 1 2 . 1 1 319 319 LYS H H 319 7.895 7.895 8.253 -0.358 17812 409 1 2 . 1 1 320 320 ASP N N 320 117.610 117.610 118.839 -1.229 17812 410 1 2 . 1 1 320 320 ASP HA H 320 4.206 4.206 4.494 -0.288 17812 411 1 2 . 1 1 320 320 ASP C C 320 174.861 174.861 177.071 -2.210 17812 412 1 2 . 1 1 320 320 ASP CA C 320 54.551 54.551 56.513 -1.962 17812 413 1 2 . 1 1 320 320 ASP CB C 320 38.354 38.354 41.046 -2.692 17812 414 1 2 . 1 1 320 320 ASP H H 320 8.873 8.873 7.816 1.057 17812 415 1 2 . 1 1 321 321 ASP N N 321 118.813 118.813 118.515 0.298 17812 416 1 2 . 1 1 321 321 ASP HA H 321 4.595 4.595 4.997 -0.402 17812 417 1 2 . 1 1 321 321 ASP C C 321 176.386 176.386 176.489 -0.103 17812 418 1 2 . 1 1 321 321 ASP CA C 321 53.781 53.781 53.356 0.425 17812 419 1 2 . 1 1 321 321 ASP CB C 321 40.782 40.782 40.411 0.371 17812 420 1 2 . 1 1 321 321 ASP H H 321 7.212 7.212 7.607 -0.395 17812 421 1 2 . 1 1 322 322 VAL N N 322 122.228 122.228 118.056 4.172 17812 422 1 2 . 1 1 322 322 VAL HA H 322 3.866 3.866 3.819 0.047 17812 423 1 2 . 1 1 322 322 VAL CA C 322 63.885 63.885 64.639 -0.754 17812 424 1 2 . 1 1 322 322 VAL CB C 322 31.385 31.385 31.923 -0.538 17812 425 1 2 . 1 1 322 322 VAL H H 322 8.060 8.060 7.661 0.399 17812 426 1 2 . 1 1 323 323 ASN N N 323 117.787 117.787 115.390 2.397 17812 427 1 2 . 1 1 323 323 ASN HA H 323 4.710 4.710 4.646 0.064 17812 428 1 2 . 1 1 323 323 ASN CA C 323 54.065 54.065 53.743 0.321 17812 429 1 2 . 1 1 323 323 ASN CB C 323 38.876 38.876 38.231 0.645 17812 430 1 2 . 1 1 323 323 ASN H H 323 8.486 8.486 8.285 0.201 17812 431 1 2 . 1 1 324 324 ARG N N 324 120.106 120.106 119.617 0.489 17812 432 1 2 . 1 1 324 324 ARG HA H 324 4.632 4.632 4.473 0.159 17812 433 1 2 . 1 1 324 324 ARG C C 324 175.881 175.881 174.726 1.155 17812 434 1 2 . 1 1 324 324 ARG CA C 324 54.488 54.488 55.282 -0.794 17812 435 1 2 . 1 1 324 324 ARG CB C 324 32.709 32.709 32.183 0.526 17812 436 1 2 . 1 1 324 324 ARG H H 324 7.955 7.955 7.658 0.297 17812 437 1 2 . 1 1 325 325 LEU N N 325 123.983 123.983 122.267 1.716 17812 438 1 2 . 1 1 325 325 LEU HA H 325 4.422 4.422 4.490 -0.068 17812 439 1 2 . 1 1 325 325 LEU C C 325 177.647 177.647 176.661 0.986 17812 440 1 2 . 1 1 325 325 LEU CA C 325 54.910 54.910 54.923 -0.013 17812 441 1 2 . 1 1 325 325 LEU CB C 325 42.720 42.720 43.169 -0.448 17812 442 1 2 . 1 1 325 325 LEU H H 325 8.423 8.423 8.241 0.182 17812 443 1 2 . 1 1 326 326 CYS N N 326 123.693 123.693 124.649 -0.956 17812 444 1 2 . 1 1 326 326 CYS HA H 326 4.474 4.474 4.811 -0.337 17812 445 1 2 . 1 1 326 326 CYS C C 326 174.472 174.472 175.805 -1.333 17812 446 1 2 . 1 1 326 326 CYS CA C 326 60.503 60.503 57.270 3.233 17812 447 1 2 . 1 1 326 326 CYS CB C 326 32.551 32.551 30.355 2.196 17812 448 1 2 . 1 1 326 326 CYS H H 326 9.277 9.277 8.575 0.702 17812 449 1 2 . 1 1 327 327 ARG N N 327 126.881 126.881 124.567 2.314 17812 450 1 2 . 1 1 327 327 ARG HA H 327 4.579 4.579 4.144 0.435 17812 451 1 2 . 1 1 327 327 ARG C C 327 175.128 175.128 177.823 -2.695 17812 452 1 2 . 1 1 327 327 ARG CA C 327 56.522 56.522 58.548 -2.026 17812 453 1 2 . 1 1 327 327 ARG CB C 327 29.116 29.116 30.258 -1.141 17812 454 1 2 . 1 1 327 327 ARG H H 327 8.880 8.880 8.792 0.088 17812 455 1 2 . 1 1 328 328 VAL N N 328 123.112 123.112 118.344 4.768 17812 456 1 2 . 1 1 328 328 VAL HA H 328 4.139 4.139 3.853 0.286 17812 457 1 2 . 1 1 328 328 VAL C C 328 176.618 176.618 176.658 -0.040 17812 458 1 2 . 1 1 328 328 VAL CA C 328 65.790 65.790 64.513 1.277 17812 459 1 2 . 1 1 328 328 VAL CB C 328 32.296 32.296 32.064 0.232 17812 460 1 2 . 1 1 328 328 VAL H H 328 9.058 9.058 7.932 1.126 17812 461 1 2 . 1 1 329 329 CYS N N 329 117.822 117.822 117.398 0.424 17812 462 1 2 . 1 1 329 329 CYS HA H 329 4.975 4.975 4.750 0.225 17812 463 1 2 . 1 1 329 329 CYS C C 329 174.466 174.466 173.564 0.902 17812 464 1 2 . 1 1 329 329 CYS CA C 329 58.446 58.446 56.462 1.984 17812 465 1 2 . 1 1 329 329 CYS CB C 329 31.850 31.850 25.559 6.291 17812 466 1 2 . 1 1 329 329 CYS H H 329 8.372 8.372 7.690 0.682 17812 467 1 2 . 1 1 330 330 ALA N N 330 130.671 130.671 124.820 5.851 17812 468 1 2 . 1 1 330 330 ALA HA H 330 4.575 4.575 4.492 0.083 17812 469 1 2 . 1 1 330 330 ALA C C 330 175.000 175.000 175.345 -0.345 17812 470 1 2 . 1 1 330 330 ALA CA C 330 50.393 50.393 50.988 -0.595 17812 471 1 2 . 1 1 330 330 ALA CB C 330 19.244 19.244 20.786 -1.542 17812 472 1 2 . 1 1 330 330 ALA H H 330 7.030 7.030 7.544 -0.514 17812 473 1 2 . 1 1 331 331 CYS N N 331 118.585 118.585 120.001 -1.416 17812 474 1 2 . 1 1 331 331 CYS HA H 331 3.587 3.587 4.558 -0.971 17812 475 1 2 . 1 1 331 331 CYS C C 331 177.953 177.953 175.992 1.961 17812 476 1 2 . 1 1 331 331 CYS CA C 331 60.241 60.241 60.216 0.025 17812 477 1 2 . 1 1 331 331 CYS CB C 331 30.524 30.524 28.058 2.466 17812 478 1 2 . 1 1 331 331 CYS H H 331 7.081 7.081 8.735 -1.654 17812 479 1 2 . 1 1 332 332 HIS N N 332 127.546 127.546 127.042 0.504 17812 480 1 2 . 1 1 332 332 HIS HA H 332 4.752 4.752 4.255 0.497 17812 481 1 2 . 1 1 332 332 HIS C C 332 174.236 174.236 174.453 -0.217 17812 482 1 2 . 1 1 332 332 HIS CA C 332 56.287 56.287 58.448 -2.161 17812 483 1 2 . 1 1 332 332 HIS CB C 332 28.769 28.769 29.948 -1.179 17812 484 1 2 . 1 1 332 332 HIS H H 332 9.757 9.757 8.881 0.876 17812 485 1 2 . 1 1 333 333 LEU N N 333 118.061 118.061 118.304 -0.243 17812 486 1 2 . 1 1 333 333 LEU HA H 333 4.580 4.580 4.305 0.275 17812 487 1 2 . 1 1 333 333 LEU C C 333 177.564 177.564 177.407 0.157 17812 488 1 2 . 1 1 333 333 LEU CA C 333 56.046 56.046 53.745 2.300 17812 489 1 2 . 1 1 333 333 LEU CB C 333 42.986 42.986 42.790 0.196 17812 490 1 2 . 1 1 333 333 LEU H H 333 8.773 8.773 7.869 0.904 17812 491 1 2 . 1 1 334 334 CYS N N 334 118.393 118.393 120.309 -1.916 17812 492 1 2 . 1 1 334 334 CYS HA H 334 5.084 5.084 4.175 0.909 17812 493 1 2 . 1 1 334 334 CYS C C 334 176.736 176.736 175.924 0.812 17812 494 1 2 . 1 1 334 334 CYS CA C 334 58.973 58.973 59.595 -0.622 17812 495 1 2 . 1 1 334 334 CYS CB C 334 32.481 32.481 26.301 6.180 17812 496 1 2 . 1 1 334 334 CYS H H 334 8.310 8.310 9.227 -0.917 17812 497 1 2 . 1 1 335 335 GLY N N 335 115.992 115.992 113.393 2.599 17812 498 1 2 . 1 1 335 335 GLY C C 335 172.059 172.059 174.616 -2.557 17812 499 1 2 . 1 1 335 335 GLY CA C 335 45.652 45.652 45.694 -0.042 17812 500 1 2 . 1 1 335 335 GLY H H 335 8.596 8.596 8.343 0.253 17812 501 1 2 . 1 1 336 336 GLY N N 336 111.360 111.360 106.413 4.947 17812 502 1 2 . 1 1 336 336 GLY C C 336 174.101 174.101 173.696 0.405 17812 503 1 2 . 1 1 336 336 GLY CA C 336 44.987 44.987 43.768 1.219 17812 504 1 2 . 1 1 336 336 GLY H H 336 9.594 9.594 8.087 1.507 17812 505 1 2 . 1 1 337 337 ARG N N 337 118.859 118.859 118.268 0.591 17812 506 1 2 . 1 1 337 337 ARG HA H 337 4.413 4.413 4.483 -0.070 17812 507 1 2 . 1 1 337 337 ARG C C 337 177.635 177.635 175.720 1.915 17812 508 1 2 . 1 1 337 337 ARG CA C 337 55.364 55.364 55.303 0.061 17812 509 1 2 . 1 1 337 337 ARG CB C 337 31.337 31.337 31.041 0.296 17812 510 1 2 . 1 1 337 337 ARG H H 337 8.827 8.827 8.615 0.212 17812 511 1 2 . 1 1 338 338 GLN N N 338 120.950 120.950 120.180 0.770 17812 512 1 2 . 1 1 338 338 GLN HA H 338 4.376 4.376 4.310 0.066 17812 513 1 2 . 1 1 338 338 GLN C C 338 176.420 176.420 175.034 1.386 17812 514 1 2 . 1 1 338 338 GLN CA C 338 55.694 55.694 56.365 -0.671 17812 515 1 2 . 1 1 338 338 GLN CB C 338 28.096 28.096 29.451 -1.355 17812 516 1 2 . 1 1 338 338 GLN H H 338 9.568 9.568 8.108 1.460 17812 517 1 2 . 1 1 339 339 ASP N N 339 117.880 117.880 120.427 -2.547 17812 518 1 2 . 1 1 339 339 ASP HA H 339 4.625 4.625 4.416 0.209 17812 519 1 2 . 1 1 339 339 ASP CA C 339 55.283 55.283 54.395 0.888 17812 520 1 2 . 1 1 339 339 ASP CB C 339 41.092 41.092 39.236 1.856 17812 521 1 2 . 1 1 339 339 ASP H H 339 9.681 9.681 8.678 1.003 17812 522 1 2 . 1 1 340 340 PRO HA H 340 4.140 4.140 4.007 0.133 17812 523 1 2 . 1 1 340 340 PRO C C 340 177.463 177.463 178.079 -0.616 17812 524 1 2 . 1 1 340 340 PRO CA C 340 65.883 65.883 64.844 1.039 17812 525 1 2 . 1 1 340 340 PRO CB C 340 30.045 30.045 31.816 -1.771 17812 526 1 2 . 1 1 341 341 ASP N N 341 115.117 115.117 115.314 -0.197 17812 527 1 2 . 1 1 341 341 ASP HA H 341 4.642 4.642 4.397 0.245 17812 528 1 2 . 1 1 341 341 ASP C C 341 175.663 175.663 176.824 -1.161 17812 529 1 2 . 1 1 341 341 ASP CA C 341 54.735 54.735 56.063 -1.328 17812 530 1 2 . 1 1 341 341 ASP CB C 341 39.135 39.135 39.481 -0.346 17812 531 1 2 . 1 1 341 341 ASP H H 341 9.176 9.176 8.712 0.464 17812 532 1 2 . 1 1 342 342 LYS N N 342 117.582 117.582 117.183 0.399 17812 533 1 2 . 1 1 342 342 LYS HA H 342 4.351 4.351 4.282 0.069 17812 534 1 2 . 1 1 342 342 LYS CA C 342 54.496 54.496 55.831 -1.335 17812 535 1 2 . 1 1 342 342 LYS CB C 342 33.968 33.968 32.642 1.326 17812 536 1 2 . 1 1 342 342 LYS H H 342 8.056 8.056 7.399 0.657 17812 537 1 2 . 1 1 343 343 GLN N N 343 119.535 119.535 119.138 0.397 17812 538 1 2 . 1 1 343 343 GLN HA H 343 4.510 4.510 3.895 0.615 17812 539 1 2 . 1 1 343 343 GLN C C 343 175.176 175.176 175.258 -0.082 17812 540 1 2 . 1 1 343 343 GLN CA C 343 54.652 54.652 55.445 -0.793 17812 541 1 2 . 1 1 343 343 GLN CB C 343 29.270 29.270 28.842 0.428 17812 542 1 2 . 1 1 343 343 GLN H H 343 7.174 7.174 7.050 0.124 17812 543 1 2 . 1 1 344 344 LEU N N 344 124.836 124.836 125.601 -0.765 17812 544 1 2 . 1 1 344 344 LEU HA H 344 4.307 4.307 4.489 -0.182 17812 545 1 2 . 1 1 344 344 LEU CA C 344 53.564 53.564 53.730 -0.167 17812 546 1 2 . 1 1 344 344 LEU CB C 344 44.381 44.381 42.989 1.392 17812 547 1 2 . 1 1 344 344 LEU H H 344 8.215 8.215 8.496 -0.281 17812 548 1 2 . 1 1 345 345 MET N N 345 119.349 119.349 119.469 -0.120 17812 549 1 2 . 1 1 345 345 MET HA H 345 5.433 5.433 5.494 -0.061 17812 550 1 2 . 1 1 345 345 MET C C 345 175.462 175.462 175.794 -0.332 17812 551 1 2 . 1 1 345 345 MET CA C 345 52.877 52.877 53.953 -1.076 17812 552 1 2 . 1 1 345 345 MET CB C 345 32.312 32.312 35.941 -3.629 17812 553 1 2 . 1 1 345 345 MET H H 345 8.086 8.086 8.256 -0.170 17812 554 1 2 . 1 1 346 346 CYS N N 346 124.792 124.792 124.748 0.044 17812 555 1 2 . 1 1 346 346 CYS HA H 346 4.751 4.751 4.656 0.095 17812 556 1 2 . 1 1 346 346 CYS C C 346 177.998 177.998 176.150 1.848 17812 557 1 2 . 1 1 346 346 CYS CA C 346 60.088 60.088 57.916 2.172 17812 558 1 2 . 1 1 346 346 CYS CB C 346 32.345 32.345 29.146 3.199 17812 559 1 2 . 1 1 346 346 CYS H H 346 9.088 9.088 9.034 0.054 17812 560 1 2 . 1 1 347 347 ASP N N 347 129.440 129.440 128.315 1.125 17812 561 1 2 . 1 1 347 347 ASP HA H 347 4.624 4.624 4.527 0.097 17812 562 1 2 . 1 1 347 347 ASP C C 347 174.755 174.755 177.876 -3.121 17812 563 1 2 . 1 1 347 347 ASP CA C 347 57.932 57.932 56.628 1.304 17812 564 1 2 . 1 1 347 347 ASP CB C 347 41.115 41.115 40.894 0.221 17812 565 1 2 . 1 1 347 347 ASP H H 347 9.154 9.154 8.838 0.316 17812 566 1 2 . 1 1 348 348 GLU N N 348 124.253 124.253 118.494 5.759 17812 567 1 2 . 1 1 348 348 GLU HA H 348 4.895 4.895 4.206 0.689 17812 568 1 2 . 1 1 348 348 GLU C C 348 176.439 176.439 177.605 -1.166 17812 569 1 2 . 1 1 348 348 GLU CA C 348 58.673 58.673 58.545 0.128 17812 570 1 2 . 1 1 348 348 GLU CB C 348 30.510 30.510 30.023 0.487 17812 571 1 2 . 1 1 348 348 GLU H H 348 9.615 9.615 8.805 0.810 17812 572 1 2 . 1 1 349 349 CYS N N 349 119.153 119.153 116.402 2.751 17812 573 1 2 . 1 1 349 349 CYS HA H 349 4.778 4.778 4.641 0.138 17812 574 1 2 . 1 1 349 349 CYS CA C 349 60.216 60.216 59.293 0.923 17812 575 1 2 . 1 1 349 349 CYS CB C 349 32.008 32.008 28.667 3.341 17812 576 1 2 . 1 1 349 349 CYS H H 349 8.522 8.522 7.691 0.831 17812 577 1 2 . 1 1 350 350 ASP N N 350 115.218 115.218 119.939 -4.721 17812 578 1 2 . 1 1 350 350 ASP HA H 350 4.492 4.492 4.390 0.102 17812 579 1 2 . 1 1 350 350 ASP CA C 350 55.086 55.086 55.584 -0.499 17812 580 1 2 . 1 1 350 350 ASP CB C 350 41.386 41.386 39.232 2.154 17812 581 1 2 . 1 1 350 350 ASP H H 350 7.813 7.813 8.652 -0.839 17812 582 1 2 . 1 1 351 351 MET N N 351 117.029 117.029 117.271 -0.242 17812 583 1 2 . 1 1 351 351 MET HA H 351 4.520 4.520 4.742 -0.222 17812 584 1 2 . 1 1 351 351 MET C C 351 173.497 173.497 174.684 -1.187 17812 585 1 2 . 1 1 351 351 MET CA C 351 54.706 54.706 54.216 0.490 17812 586 1 2 . 1 1 351 351 MET CB C 351 34.605 34.605 36.967 -2.362 17812 587 1 2 . 1 1 351 351 MET H H 351 8.162 8.162 7.580 0.582 17812 588 1 2 . 1 1 352 352 ALA N N 352 123.068 123.068 122.893 0.175 17812 589 1 2 . 1 1 352 352 ALA HA H 352 5.528 5.528 5.308 0.220 17812 590 1 2 . 1 1 352 352 ALA C C 352 177.545 177.545 176.550 0.995 17812 591 1 2 . 1 1 352 352 ALA CA C 352 49.943 49.943 51.387 -1.444 17812 592 1 2 . 1 1 352 352 ALA CB C 352 22.111 22.111 20.399 1.712 17812 593 1 2 . 1 1 352 352 ALA H H 352 8.499 8.499 8.247 0.252 17812 594 1 2 . 1 1 353 353 PHE N N 353 116.057 116.057 118.755 -2.698 17812 595 1 2 . 1 1 353 353 PHE HA H 353 5.106 5.106 4.940 0.166 17812 596 1 2 . 1 1 353 353 PHE C C 353 176.868 176.868 176.839 0.029 17812 597 1 2 . 1 1 353 353 PHE CA C 353 56.416 56.416 57.233 -0.818 17812 598 1 2 . 1 1 353 353 PHE CB C 353 43.111 43.111 43.409 -0.298 17812 599 1 2 . 1 1 353 353 PHE H H 353 9.164 9.164 8.292 0.872 17812 600 1 2 . 1 1 354 354 HIS N N 354 124.053 124.053 121.666 2.387 17812 601 1 2 . 1 1 354 354 HIS HA H 354 4.650 4.650 4.327 0.323 17812 602 1 2 . 1 1 354 354 HIS C C 354 180.505 180.505 176.918 3.587 17812 603 1 2 . 1 1 354 354 HIS CA C 354 58.931 58.931 57.091 1.840 17812 604 1 2 . 1 1 354 354 HIS CB C 354 31.235 31.235 29.933 1.302 17812 605 1 2 . 1 1 354 354 HIS H H 354 9.388 9.388 9.006 0.382 17812 606 1 2 . 1 1 355 355 ILE N N 355 115.081 115.081 117.216 -2.135 17812 607 1 2 . 1 1 355 355 ILE HA H 355 3.928 3.928 3.671 0.257 17812 608 1 2 . 1 1 355 355 ILE C C 355 175.451 175.451 176.138 -0.687 17812 609 1 2 . 1 1 355 355 ILE CA C 355 65.726 65.726 63.987 1.739 17812 610 1 2 . 1 1 355 355 ILE CB C 355 36.292 36.292 36.900 -0.608 17812 611 1 2 . 1 1 355 355 ILE H H 355 8.568 8.568 8.131 0.437 17812 612 1 2 . 1 1 356 356 TYR N N 356 110.787 110.787 112.676 -1.889 17812 613 1 2 . 1 1 356 356 TYR HA H 356 4.801 4.801 4.580 0.221 17812 614 1 2 . 1 1 356 356 TYR C C 356 177.073 177.073 175.573 1.500 17812 615 1 2 . 1 1 356 356 TYR CA C 356 55.362 55.362 57.611 -2.249 17812 616 1 2 . 1 1 356 356 TYR CB C 356 36.767 36.767 38.503 -1.736 17812 617 1 2 . 1 1 356 356 TYR H H 356 6.117 6.117 7.534 -1.417 17812 618 1 2 . 1 1 357 357 CYS N N 357 121.584 121.584 118.202 3.382 17812 619 1 2 . 1 1 357 357 CYS HA H 357 4.537 4.537 3.789 0.748 17812 620 1 2 . 1 1 357 357 CYS C C 357 174.868 174.868 174.834 0.034 17812 621 1 2 . 1 1 357 357 CYS CA C 357 62.349 62.349 58.951 3.398 17812 622 1 2 . 1 1 357 357 CYS CB C 357 31.087 31.087 25.880 5.207 17812 623 1 2 . 1 1 357 357 CYS H H 357 7.603 7.603 7.080 0.523 17812 624 1 2 . 1 1 358 358 LEU N N 358 119.134 119.134 121.108 -1.974 17812 625 1 2 . 1 1 358 358 LEU HA H 358 4.040 4.040 4.282 -0.242 17812 626 1 2 . 1 1 358 358 LEU CA C 358 55.465 55.465 54.957 0.508 17812 627 1 2 . 1 1 358 358 LEU CB C 358 44.020 44.020 42.271 1.749 17812 628 1 2 . 1 1 358 358 LEU H H 358 6.387 6.387 7.121 -0.734 17812 629 1 2 . 1 1 359 359 ASP N N 359 117.020 117.020 121.893 -4.873 17812 630 1 2 . 1 1 359 359 ASP HA H 359 4.985 4.985 4.488 0.497 17812 631 1 2 . 1 1 359 359 ASP CA C 359 50.354 50.354 56.189 -5.835 17812 632 1 2 . 1 1 359 359 ASP CB C 359 43.465 43.465 39.887 3.578 17812 633 1 2 . 1 1 359 359 ASP H H 359 8.167 8.167 8.481 -0.314 17812 634 1 2 . 1 1 360 360 PRO HA H 360 5.202 5.202 4.639 0.563 17812 635 1 2 . 1 1 360 360 PRO CA C 360 62.131 62.131 61.646 0.485 17812 636 1 2 . 1 1 360 360 PRO CB C 360 33.173 33.173 31.514 1.659 17812 637 1 2 . 1 1 361 361 PRO HA H 361 4.462 4.462 4.527 -0.065 17812 638 1 2 . 1 1 361 361 PRO C C 361 177.733 177.733 176.881 0.852 17812 639 1 2 . 1 1 361 361 PRO CA C 361 63.068 63.068 62.066 1.002 17812 640 1 2 . 1 1 361 361 PRO CB C 361 32.301 32.301 32.833 -0.532 17812 641 1 2 . 1 1 362 362 LEU N N 362 121.043 121.043 121.373 -0.330 17812 642 1 2 . 1 1 362 362 LEU HA H 362 4.761 4.761 4.430 0.331 17812 643 1 2 . 1 1 362 362 LEU C C 362 177.392 177.392 177.856 -0.464 17812 644 1 2 . 1 1 362 362 LEU CA C 362 53.621 53.621 55.367 -1.746 17812 645 1 2 . 1 1 362 362 LEU CB C 362 43.759 43.759 41.854 1.905 17812 646 1 2 . 1 1 362 362 LEU H H 362 7.798 7.798 8.417 -0.619 17812 647 1 2 . 1 1 363 363 SER N N 363 115.324 115.324 117.512 -2.188 17812 648 1 2 . 1 1 363 363 SER HA H 363 4.377 4.377 4.371 0.006 17812 649 1 2 . 1 1 363 363 SER C C 363 174.070 174.070 174.599 -0.529 17812 650 1 2 . 1 1 363 363 SER CA C 363 59.341 59.341 60.268 -0.927 17812 651 1 2 . 1 1 363 363 SER CB C 363 63.871 63.871 63.616 0.255 17812 652 1 2 . 1 1 363 363 SER H H 363 8.899 8.899 8.800 0.099 17812 653 1 2 . 1 1 364 364 SER N N 364 112.898 112.898 115.495 -2.597 17812 654 1 2 . 1 1 364 364 SER HA H 364 4.451 4.451 4.654 -0.203 17812 655 1 2 . 1 1 364 364 SER C C 364 173.066 173.066 173.114 -0.048 17812 656 1 2 . 1 1 364 364 SER CA C 364 56.852 56.852 57.893 -1.041 17812 657 1 2 . 1 1 364 364 SER CB C 364 65.197 65.197 65.415 -0.218 17812 658 1 2 . 1 1 364 364 SER H H 364 7.460 7.460 7.809 -0.349 17812 659 1 2 . 1 1 365 365 VAL N N 365 123.433 123.433 124.285 -0.852 17812 660 1 2 . 1 1 365 365 VAL HA H 365 3.820 3.820 4.378 -0.558 17812 661 1 2 . 1 1 365 365 VAL CA C 365 61.613 61.613 59.267 2.345 17812 662 1 2 . 1 1 365 365 VAL CB C 365 32.428 32.428 33.172 -0.744 17812 663 1 2 . 1 1 365 365 VAL H H 365 8.695 8.695 8.213 0.482 17812 664 1 2 . 1 1 366 366 PRO HA H 366 4.457 4.457 4.659 -0.202 17812 665 1 2 . 1 1 366 366 PRO C C 366 175.679 175.679 175.912 -0.233 17812 666 1 2 . 1 1 366 366 PRO CA C 366 63.224 63.224 62.882 0.342 17812 667 1 2 . 1 1 366 366 PRO CB C 366 32.526 32.526 32.482 0.044 17812 668 1 2 . 1 1 367 367 SER N N 367 116.079 116.079 118.203 -2.124 17812 669 1 2 . 1 1 367 367 SER HA H 367 4.456 4.456 4.382 0.074 17812 670 1 2 . 1 1 367 367 SER C C 367 174.796 174.796 176.045 -1.249 17812 671 1 2 . 1 1 367 367 SER CA C 367 58.855 58.855 58.807 0.048 17812 672 1 2 . 1 1 367 367 SER CB C 367 64.091 64.091 64.251 -0.161 17812 673 1 2 . 1 1 367 367 SER H H 367 8.648 8.648 8.515 0.133 17812 674 1 2 . 1 1 368 368 GLU N N 368 122.642 122.642 121.510 1.132 17812 675 1 2 . 1 1 368 368 GLU HA H 368 4.275 4.275 4.176 0.099 17812 676 1 2 . 1 1 368 368 GLU CA C 368 57.631 57.631 57.517 0.115 17812 677 1 2 . 1 1 368 368 GLU CB C 368 30.124 30.124 29.855 0.269 17812 678 1 2 . 1 1 368 368 GLU H H 368 8.629 8.629 8.599 0.030 17812 679 1 2 . 1 1 369 369 ASP N N 369 120.686 120.686 120.363 0.323 17812 680 1 2 . 1 1 369 369 ASP HA H 369 4.332 4.332 4.595 -0.263 17812 681 1 2 . 1 1 369 369 ASP CA C 369 57.181 57.181 53.559 3.622 17812 682 1 2 . 1 1 369 369 ASP CB C 369 41.404 41.404 40.805 0.599 17812 683 1 2 . 1 1 369 369 ASP H H 369 8.614 8.614 8.038 0.576 17812 684 1 2 . 1 1 370 370 GLU N N 370 115.631 115.631 123.354 -7.723 17812 685 1 2 . 1 1 370 370 GLU HA H 370 4.861 4.861 4.172 0.689 17812 686 1 2 . 1 1 370 370 GLU C C 370 175.047 175.047 175.809 -0.762 17812 687 1 2 . 1 1 370 370 GLU CA C 370 54.687 54.687 56.919 -2.232 17812 688 1 2 . 1 1 370 370 GLU CB C 370 32.837 32.837 30.079 2.758 17812 689 1 2 . 1 1 370 370 GLU H H 370 7.823 7.823 8.583 -0.760 17812 690 1 2 . 1 1 371 371 TRP N N 371 124.056 124.056 125.306 -1.250 17812 691 1 2 . 1 1 371 371 TRP HA H 371 4.311 4.311 4.704 -0.393 17812 692 1 2 . 1 1 371 371 TRP C C 371 171.586 171.586 173.674 -2.088 17812 693 1 2 . 1 1 371 371 TRP CA C 371 59.845 59.845 56.110 3.735 17812 694 1 2 . 1 1 371 371 TRP CB C 371 31.317 31.317 30.570 0.747 17812 695 1 2 . 1 1 371 371 TRP H H 371 9.205 9.205 8.458 0.747 17812 696 1 2 . 1 1 372 372 TYR N N 372 122.933 122.933 123.581 -0.648 17812 697 1 2 . 1 1 372 372 TYR HA H 372 5.217 5.217 4.058 1.159 17812 698 1 2 . 1 1 372 372 TYR C C 372 173.821 173.821 174.590 -0.769 17812 699 1 2 . 1 1 372 372 TYR CA C 372 54.963 54.963 55.318 -0.355 17812 700 1 2 . 1 1 372 372 TYR CB C 372 41.593 41.593 40.338 1.255 17812 701 1 2 . 1 1 372 372 TYR H H 372 6.907 6.907 7.914 -1.007 17812 702 1 2 . 1 1 373 373 CYS N N 373 127.647 127.647 118.326 9.321 17812 703 1 2 . 1 1 373 373 CYS HA H 373 3.530 3.530 3.418 0.112 17812 704 1 2 . 1 1 373 373 CYS CA C 373 57.539 57.539 55.591 1.948 17812 705 1 2 . 1 1 373 373 CYS CB C 373 30.549 30.549 26.571 3.978 17812 706 1 2 . 1 1 373 373 CYS H H 373 9.310 9.310 7.855 1.455 17812 707 1 2 . 1 1 374 374 PRO HA H 374 3.987 3.987 4.022 -0.035 17812 708 1 2 . 1 1 374 374 PRO C C 374 178.008 178.008 178.070 -0.062 17812 709 1 2 . 1 1 374 374 PRO CA C 374 65.504 65.504 65.260 0.244 17812 710 1 2 . 1 1 374 374 PRO CB C 374 32.293 32.293 31.614 0.679 17812 711 1 2 . 1 1 375 375 GLU N N 375 116.759 116.759 117.926 -1.167 17812 712 1 2 . 1 1 375 375 GLU HA H 375 4.237 4.237 4.135 0.102 17812 713 1 2 . 1 1 375 375 GLU C C 375 177.054 177.054 178.940 -1.886 17812 714 1 2 . 1 1 375 375 GLU CA C 375 58.479 58.479 59.158 -0.679 17812 715 1 2 . 1 1 375 375 GLU CB C 375 30.939 30.939 28.702 2.237 17812 716 1 2 . 1 1 375 375 GLU H H 375 8.111 8.111 8.862 -0.751 17812 717 1 2 . 1 1 376 376 CYS N N 376 122.642 122.642 118.287 4.355 17812 718 1 2 . 1 1 376 376 CYS HA H 376 4.055 4.055 4.162 -0.107 17812 719 1 2 . 1 1 376 376 CYS CA C 376 62.498 62.498 62.687 -0.189 17812 720 1 2 . 1 1 376 376 CYS CB C 376 31.379 31.379 26.513 4.866 17812 721 1 2 . 1 1 376 376 CYS H H 376 8.075 8.075 7.449 0.626 17812 722 1 2 . 1 1 377 377 ARG N N 377 117.680 117.680 120.045 -2.365 17812 723 1 2 . 1 1 377 377 ARG HA H 377 3.948 3.948 4.013 -0.065 17812 724 1 2 . 1 1 377 377 ARG C C 377 56.425 56.425 178.146 -121.721 17812 725 1 2 . 1 1 377 377 ARG CB C 377 30.678 30.678 29.948 0.730 17812 726 1 2 . 1 1 377 377 ARG H H 377 7.856 7.856 7.669 0.187 17812 727 1 2 . 1 1 378 378 ASN N N 378 119.726 119.726 116.417 3.309 17812 728 1 2 . 1 1 378 378 ASN HA H 378 4.695 4.695 4.553 0.142 17812 729 1 2 . 1 1 378 378 ASN C C 378 173.554 173.554 174.886 -1.332 17812 730 1 2 . 1 1 378 378 ASN CA C 378 53.204 53.204 54.258 -1.054 17812 731 1 2 . 1 1 378 378 ASN CB C 378 39.516 39.516 38.166 1.350 17812 732 1 2 . 1 1 378 378 ASN H H 378 8.189 8.189 7.977 0.212 17812 733 1 3 . 1 1 312 312 GLY N N 312 110.352 110.352 111.154 -0.802 17812 734 1 3 . 1 1 312 312 GLY CA C 312 44.546 44.546 44.662 -0.116 17812 735 1 3 . 1 1 312 312 GLY H H 312 7.809 7.809 8.225 -0.416 17812 736 1 3 . 1 1 313 313 PRO HA H 313 4.433 4.433 4.522 -0.089 17812 737 1 3 . 1 1 313 313 PRO CA C 313 62.527 62.527 62.483 0.045 17812 738 1 3 . 1 1 313 313 PRO CB C 313 31.680 31.680 32.940 -1.260 17812 739 1 3 . 1 1 314 314 SER N N 314 120.711 120.711 115.079 5.632 17812 740 1 3 . 1 1 314 314 SER HA H 314 4.331 4.331 4.270 0.061 17812 741 1 3 . 1 1 314 314 SER C C 314 174.789 174.789 174.565 0.224 17812 742 1 3 . 1 1 314 314 SER CA C 314 60.627 60.627 59.564 1.063 17812 743 1 3 . 1 1 314 314 SER CB C 314 63.925 63.925 63.339 0.586 17812 744 1 3 . 1 1 314 314 SER H H 314 10.435 10.435 8.449 1.986 17812 745 1 3 . 1 1 315 315 CYS N N 315 125.240 125.240 121.505 3.735 17812 746 1 3 . 1 1 315 315 CYS HA H 315 4.698 4.698 4.582 0.116 17812 747 1 3 . 1 1 315 315 CYS C C 315 176.852 176.852 175.071 1.781 17812 748 1 3 . 1 1 315 315 CYS CA C 315 58.281 58.281 57.942 0.339 17812 749 1 3 . 1 1 315 315 CYS CB C 315 32.487 32.487 27.980 4.507 17812 750 1 3 . 1 1 315 315 CYS H H 315 9.159 9.159 8.032 1.127 17812 751 1 3 . 1 1 316 316 LYS N N 316 127.250 127.250 126.717 0.533 17812 752 1 3 . 1 1 316 316 LYS HA H 316 4.005 4.005 4.087 -0.082 17812 753 1 3 . 1 1 316 316 LYS C C 316 176.341 176.341 177.318 -0.977 17812 754 1 3 . 1 1 316 316 LYS CA C 316 58.026 58.026 58.238 -0.212 17812 755 1 3 . 1 1 316 316 LYS CB C 316 32.116 32.116 32.368 -0.252 17812 756 1 3 . 1 1 316 316 LYS H H 316 8.951 8.951 8.717 0.234 17812 757 1 3 . 1 1 317 317 HIS N N 317 121.622 121.622 118.376 3.246 17812 758 1 3 . 1 1 317 317 HIS HA H 317 4.367 4.367 4.507 -0.140 17812 759 1 3 . 1 1 317 317 HIS C C 317 176.348 176.348 177.089 -0.741 17812 760 1 3 . 1 1 317 317 HIS CA C 317 59.351 59.351 59.273 0.078 17812 761 1 3 . 1 1 317 317 HIS CB C 317 31.034 31.034 29.359 1.675 17812 762 1 3 . 1 1 317 317 HIS H H 317 8.882 8.882 7.880 1.002 17812 763 1 3 . 1 1 318 318 CYS N N 318 115.222 115.222 117.267 -2.045 17812 764 1 3 . 1 1 318 318 CYS HA H 318 4.839 4.839 4.355 0.484 17812 765 1 3 . 1 1 318 318 CYS C C 318 176.909 176.909 175.991 0.918 17812 766 1 3 . 1 1 318 318 CYS CA C 318 58.040 58.040 61.739 -3.699 17812 767 1 3 . 1 1 318 318 CYS CB C 318 31.925 31.925 26.159 5.766 17812 768 1 3 . 1 1 318 318 CYS H H 318 8.081 8.081 7.769 0.312 17812 769 1 3 . 1 1 319 319 LYS N N 319 119.827 119.827 119.287 0.540 17812 770 1 3 . 1 1 319 319 LYS HA H 319 3.886 3.886 4.045 -0.159 17812 771 1 3 . 1 1 319 319 LYS C C 319 174.670 174.670 178.336 -3.666 17812 772 1 3 . 1 1 319 319 LYS CA C 319 57.728 57.728 59.306 -1.578 17812 773 1 3 . 1 1 319 319 LYS CB C 319 28.902 28.902 32.453 -3.551 17812 774 1 3 . 1 1 319 319 LYS H H 319 7.895 7.895 7.691 0.204 17812 775 1 3 . 1 1 320 320 ASP N N 320 117.610 117.610 117.151 0.459 17812 776 1 3 . 1 1 320 320 ASP HA H 320 4.206 4.206 4.479 -0.273 17812 777 1 3 . 1 1 320 320 ASP C C 320 174.861 174.861 177.401 -2.540 17812 778 1 3 . 1 1 320 320 ASP CA C 320 54.551 54.551 56.220 -1.669 17812 779 1 3 . 1 1 320 320 ASP CB C 320 38.354 38.354 40.901 -2.546 17812 780 1 3 . 1 1 320 320 ASP H H 320 8.873 8.873 7.774 1.099 17812 781 1 3 . 1 1 321 321 ASP N N 321 118.813 118.813 118.760 0.053 17812 782 1 3 . 1 1 321 321 ASP HA H 321 4.595 4.595 4.926 -0.331 17812 783 1 3 . 1 1 321 321 ASP C C 321 176.386 176.386 176.026 0.360 17812 784 1 3 . 1 1 321 321 ASP CA C 321 53.781 53.781 52.962 0.819 17812 785 1 3 . 1 1 321 321 ASP CB C 321 40.782 40.782 40.442 0.340 17812 786 1 3 . 1 1 321 321 ASP H H 321 7.212 7.212 7.741 -0.529 17812 787 1 3 . 1 1 322 322 VAL N N 322 122.228 122.228 121.274 0.954 17812 788 1 3 . 1 1 322 322 VAL HA H 322 3.866 3.866 3.611 0.255 17812 789 1 3 . 1 1 322 322 VAL CA C 322 63.885 63.885 65.853 -1.968 17812 790 1 3 . 1 1 322 322 VAL CB C 322 31.385 31.385 32.123 -0.739 17812 791 1 3 . 1 1 322 322 VAL H H 322 8.060 8.060 8.127 -0.067 17812 792 1 3 . 1 1 323 323 ASN N N 323 117.787 117.787 115.898 1.889 17812 793 1 3 . 1 1 323 323 ASN HA H 323 4.710 4.710 4.491 0.219 17812 794 1 3 . 1 1 323 323 ASN CA C 323 54.065 54.065 54.520 -0.455 17812 795 1 3 . 1 1 323 323 ASN CB C 323 38.876 38.876 38.246 0.630 17812 796 1 3 . 1 1 323 323 ASN H H 323 8.486 8.486 8.464 0.022 17812 797 1 3 . 1 1 324 324 ARG N N 324 120.106 120.106 120.085 0.021 17812 798 1 3 . 1 1 324 324 ARG HA H 324 4.632 4.632 4.364 0.268 17812 799 1 3 . 1 1 324 324 ARG C C 324 175.881 175.881 175.128 0.753 17812 800 1 3 . 1 1 324 324 ARG CA C 324 54.488 54.488 55.579 -1.091 17812 801 1 3 . 1 1 324 324 ARG CB C 324 32.709 32.709 31.337 1.371 17812 802 1 3 . 1 1 324 324 ARG H H 324 7.955 7.955 7.526 0.429 17812 803 1 3 . 1 1 325 325 LEU N N 325 123.983 123.983 121.759 2.224 17812 804 1 3 . 1 1 325 325 LEU HA H 325 4.422 4.422 4.539 -0.117 17812 805 1 3 . 1 1 325 325 LEU C C 325 177.647 177.647 176.720 0.927 17812 806 1 3 . 1 1 325 325 LEU CA C 325 54.910 54.910 54.794 0.117 17812 807 1 3 . 1 1 325 325 LEU CB C 325 42.720 42.720 43.485 -0.765 17812 808 1 3 . 1 1 325 325 LEU H H 325 8.423 8.423 8.230 0.193 17812 809 1 3 . 1 1 326 326 CYS N N 326 123.693 123.693 124.829 -1.136 17812 810 1 3 . 1 1 326 326 CYS HA H 326 4.474 4.474 4.815 -0.341 17812 811 1 3 . 1 1 326 326 CYS C C 326 174.472 174.472 175.787 -1.315 17812 812 1 3 . 1 1 326 326 CYS CA C 326 60.503 60.503 57.142 3.361 17812 813 1 3 . 1 1 326 326 CYS CB C 326 32.551 32.551 29.994 2.557 17812 814 1 3 . 1 1 326 326 CYS H H 326 9.277 9.277 8.620 0.657 17812 815 1 3 . 1 1 327 327 ARG N N 327 126.881 126.881 125.112 1.769 17812 816 1 3 . 1 1 327 327 ARG HA H 327 4.579 4.579 4.105 0.474 17812 817 1 3 . 1 1 327 327 ARG C C 327 175.128 175.128 177.805 -2.677 17812 818 1 3 . 1 1 327 327 ARG CA C 327 56.522 56.522 58.646 -2.124 17812 819 1 3 . 1 1 327 327 ARG CB C 327 29.116 29.116 30.193 -1.077 17812 820 1 3 . 1 1 327 327 ARG H H 327 8.880 8.880 8.813 0.067 17812 821 1 3 . 1 1 328 328 VAL N N 328 123.112 123.112 117.504 5.608 17812 822 1 3 . 1 1 328 328 VAL HA H 328 4.139 4.139 3.725 0.414 17812 823 1 3 . 1 1 328 328 VAL C C 328 176.618 176.618 176.839 -0.221 17812 824 1 3 . 1 1 328 328 VAL CA C 328 65.790 65.790 64.789 1.001 17812 825 1 3 . 1 1 328 328 VAL CB C 328 32.296 32.296 31.947 0.349 17812 826 1 3 . 1 1 328 328 VAL H H 328 9.058 9.058 7.946 1.112 17812 827 1 3 . 1 1 329 329 CYS N N 329 117.822 117.822 115.319 2.503 17812 828 1 3 . 1 1 329 329 CYS HA H 329 4.975 4.975 4.756 0.219 17812 829 1 3 . 1 1 329 329 CYS C C 329 174.466 174.466 173.657 0.809 17812 830 1 3 . 1 1 329 329 CYS CA C 329 58.446 58.446 56.417 2.029 17812 831 1 3 . 1 1 329 329 CYS CB C 329 31.850 31.850 26.214 5.636 17812 832 1 3 . 1 1 329 329 CYS H H 329 8.372 8.372 7.637 0.735 17812 833 1 3 . 1 1 330 330 ALA N N 330 130.671 130.671 125.079 5.592 17812 834 1 3 . 1 1 330 330 ALA HA H 330 4.575 4.575 4.568 0.007 17812 835 1 3 . 1 1 330 330 ALA C C 330 175.000 175.000 175.077 -0.077 17812 836 1 3 . 1 1 330 330 ALA CA C 330 50.393 50.393 51.166 -0.773 17812 837 1 3 . 1 1 330 330 ALA CB C 330 19.244 19.244 20.969 -1.725 17812 838 1 3 . 1 1 330 330 ALA H H 330 7.030 7.030 7.470 -0.440 17812 839 1 3 . 1 1 331 331 CYS N N 331 118.585 118.585 119.845 -1.260 17812 840 1 3 . 1 1 331 331 CYS HA H 331 3.587 3.587 4.601 -1.014 17812 841 1 3 . 1 1 331 331 CYS C C 331 177.953 177.953 176.465 1.488 17812 842 1 3 . 1 1 331 331 CYS CA C 331 60.241 60.241 59.068 1.173 17812 843 1 3 . 1 1 331 331 CYS CB C 331 30.524 30.524 27.968 2.556 17812 844 1 3 . 1 1 331 331 CYS H H 331 7.081 7.081 8.646 -1.565 17812 845 1 3 . 1 1 332 332 HIS N N 332 127.546 127.546 127.011 0.535 17812 846 1 3 . 1 1 332 332 HIS HA H 332 4.752 4.752 4.284 0.468 17812 847 1 3 . 1 1 332 332 HIS C C 332 174.236 174.236 175.337 -1.101 17812 848 1 3 . 1 1 332 332 HIS CA C 332 56.287 56.287 58.581 -2.294 17812 849 1 3 . 1 1 332 332 HIS CB C 332 28.769 28.769 30.104 -1.335 17812 850 1 3 . 1 1 332 332 HIS H H 332 9.757 9.757 8.867 0.890 17812 851 1 3 . 1 1 333 333 LEU N N 333 118.061 118.061 118.028 0.033 17812 852 1 3 . 1 1 333 333 LEU HA H 333 4.580 4.580 4.040 0.540 17812 853 1 3 . 1 1 333 333 LEU C C 333 177.564 177.564 178.708 -1.144 17812 854 1 3 . 1 1 333 333 LEU CA C 333 56.046 56.046 56.382 -0.336 17812 855 1 3 . 1 1 333 333 LEU CB C 333 42.986 42.986 42.346 0.640 17812 856 1 3 . 1 1 333 333 LEU H H 333 8.773 8.773 7.784 0.989 17812 857 1 3 . 1 1 334 334 CYS N N 334 118.393 118.393 115.100 3.293 17812 858 1 3 . 1 1 334 334 CYS HA H 334 5.084 5.084 4.474 0.610 17812 859 1 3 . 1 1 334 334 CYS C C 334 176.736 176.736 176.195 0.541 17812 860 1 3 . 1 1 334 334 CYS CA C 334 58.973 58.973 59.887 -0.914 17812 861 1 3 . 1 1 334 334 CYS CB C 334 32.481 32.481 28.006 4.475 17812 862 1 3 . 1 1 334 334 CYS H H 334 8.310 8.310 8.293 0.017 17812 863 1 3 . 1 1 335 335 GLY N N 335 115.992 115.992 109.349 6.643 17812 864 1 3 . 1 1 335 335 GLY C C 335 172.059 172.059 174.960 -2.901 17812 865 1 3 . 1 1 335 335 GLY CA C 335 45.652 45.652 44.903 0.749 17812 866 1 3 . 1 1 335 335 GLY H H 335 8.596 8.596 8.585 0.011 17812 867 1 3 . 1 1 336 336 GLY N N 336 111.360 111.360 108.709 2.651 17812 868 1 3 . 1 1 336 336 GLY C C 336 174.101 174.101 174.947 -0.846 17812 869 1 3 . 1 1 336 336 GLY CA C 336 44.987 44.987 44.517 0.470 17812 870 1 3 . 1 1 336 336 GLY H H 336 9.594 9.594 7.826 1.768 17812 871 1 3 . 1 1 337 337 ARG N N 337 118.859 118.859 123.317 -4.458 17812 872 1 3 . 1 1 337 337 ARG HA H 337 4.413 4.413 4.028 0.385 17812 873 1 3 . 1 1 337 337 ARG C C 337 177.635 177.635 176.731 0.904 17812 874 1 3 . 1 1 337 337 ARG CA C 337 55.364 55.364 58.118 -2.754 17812 875 1 3 . 1 1 337 337 ARG CB C 337 31.337 31.337 30.316 1.021 17812 876 1 3 . 1 1 337 337 ARG H H 337 8.827 8.827 8.544 0.283 17812 877 1 3 . 1 1 338 338 GLN N N 338 120.950 120.950 117.121 3.829 17812 878 1 3 . 1 1 338 338 GLN HA H 338 4.376 4.376 4.100 0.276 17812 879 1 3 . 1 1 338 338 GLN C C 338 176.420 176.420 174.341 2.079 17812 880 1 3 . 1 1 338 338 GLN CA C 338 55.694 55.694 56.777 -1.083 17812 881 1 3 . 1 1 338 338 GLN CB C 338 28.096 28.096 27.228 0.868 17812 882 1 3 . 1 1 338 338 GLN H H 338 9.568 9.568 8.333 1.235 17812 883 1 3 . 1 1 339 339 ASP N N 339 117.880 117.880 113.136 4.744 17812 884 1 3 . 1 1 339 339 ASP HA H 339 4.625 4.625 4.525 0.100 17812 885 1 3 . 1 1 339 339 ASP CA C 339 55.283 55.283 54.044 1.239 17812 886 1 3 . 1 1 339 339 ASP CB C 339 41.092 41.092 39.458 1.634 17812 887 1 3 . 1 1 339 339 ASP H H 339 9.681 9.681 8.466 1.215 17812 888 1 3 . 1 1 340 340 PRO HA H 340 4.140 4.140 4.195 -0.055 17812 889 1 3 . 1 1 340 340 PRO C C 340 177.463 177.463 177.543 -0.080 17812 890 1 3 . 1 1 340 340 PRO CA C 340 65.883 65.883 64.930 0.953 17812 891 1 3 . 1 1 340 340 PRO CB C 340 30.045 30.045 31.759 -1.714 17812 892 1 3 . 1 1 341 341 ASP N N 341 115.117 115.117 115.766 -0.649 17812 893 1 3 . 1 1 341 341 ASP HA H 341 4.642 4.642 4.342 0.300 17812 894 1 3 . 1 1 341 341 ASP C C 341 175.663 175.663 176.729 -1.066 17812 895 1 3 . 1 1 341 341 ASP CA C 341 54.735 54.735 56.021 -1.286 17812 896 1 3 . 1 1 341 341 ASP CB C 341 39.135 39.135 39.054 0.081 17812 897 1 3 . 1 1 341 341 ASP H H 341 9.176 9.176 8.649 0.527 17812 898 1 3 . 1 1 342 342 LYS N N 342 117.582 117.582 118.031 -0.449 17812 899 1 3 . 1 1 342 342 LYS HA H 342 4.351 4.351 4.343 0.008 17812 900 1 3 . 1 1 342 342 LYS CA C 342 54.496 54.496 55.795 -1.299 17812 901 1 3 . 1 1 342 342 LYS CB C 342 33.968 33.968 32.674 1.294 17812 902 1 3 . 1 1 342 342 LYS H H 342 8.056 8.056 7.537 0.519 17812 903 1 3 . 1 1 343 343 GLN N N 343 119.535 119.535 118.406 1.129 17812 904 1 3 . 1 1 343 343 GLN HA H 343 4.510 4.510 3.627 0.883 17812 905 1 3 . 1 1 343 343 GLN C C 343 175.176 175.176 174.882 0.294 17812 906 1 3 . 1 1 343 343 GLN CA C 343 54.652 54.652 55.310 -0.658 17812 907 1 3 . 1 1 343 343 GLN CB C 343 29.270 29.270 29.152 0.118 17812 908 1 3 . 1 1 343 343 GLN H H 343 7.174 7.174 7.151 0.023 17812 909 1 3 . 1 1 344 344 LEU N N 344 124.836 124.836 126.066 -1.230 17812 910 1 3 . 1 1 344 344 LEU HA H 344 4.307 4.307 4.513 -0.206 17812 911 1 3 . 1 1 344 344 LEU CA C 344 53.564 53.564 54.090 -0.526 17812 912 1 3 . 1 1 344 344 LEU CB C 344 44.381 44.381 43.777 0.604 17812 913 1 3 . 1 1 344 344 LEU H H 344 8.215 8.215 8.596 -0.381 17812 914 1 3 . 1 1 345 345 MET N N 345 119.349 119.349 123.087 -3.738 17812 915 1 3 . 1 1 345 345 MET HA H 345 5.433 5.433 5.332 0.102 17812 916 1 3 . 1 1 345 345 MET C C 345 175.462 175.462 175.535 -0.073 17812 917 1 3 . 1 1 345 345 MET CA C 345 52.877 52.877 53.901 -1.024 17812 918 1 3 . 1 1 345 345 MET CB C 345 32.312 32.312 35.609 -3.297 17812 919 1 3 . 1 1 345 345 MET H H 345 8.086 8.086 8.173 -0.087 17812 920 1 3 . 1 1 346 346 CYS N N 346 124.792 124.792 125.005 -0.213 17812 921 1 3 . 1 1 346 346 CYS HA H 346 4.751 4.751 4.780 -0.029 17812 922 1 3 . 1 1 346 346 CYS C C 346 177.998 177.998 176.044 1.954 17812 923 1 3 . 1 1 346 346 CYS CA C 346 60.088 60.088 58.400 1.688 17812 924 1 3 . 1 1 346 346 CYS CB C 346 32.345 32.345 29.389 2.956 17812 925 1 3 . 1 1 346 346 CYS H H 346 9.088 9.088 9.123 -0.035 17812 926 1 3 . 1 1 347 347 ASP N N 347 129.440 129.440 128.166 1.274 17812 927 1 3 . 1 1 347 347 ASP HA H 347 4.624 4.624 4.684 -0.060 17812 928 1 3 . 1 1 347 347 ASP C C 347 174.755 174.755 177.813 -3.058 17812 929 1 3 . 1 1 347 347 ASP CA C 347 57.932 57.932 56.578 1.353 17812 930 1 3 . 1 1 347 347 ASP CB C 347 41.115 41.115 40.908 0.207 17812 931 1 3 . 1 1 347 347 ASP H H 347 9.154 9.154 8.778 0.376 17812 932 1 3 . 1 1 348 348 GLU N N 348 124.253 124.253 118.213 6.040 17812 933 1 3 . 1 1 348 348 GLU HA H 348 4.895 4.895 4.239 0.656 17812 934 1 3 . 1 1 348 348 GLU C C 348 176.439 176.439 177.462 -1.023 17812 935 1 3 . 1 1 348 348 GLU CA C 348 58.673 58.673 58.571 0.102 17812 936 1 3 . 1 1 348 348 GLU CB C 348 30.510 30.510 30.129 0.381 17812 937 1 3 . 1 1 348 348 GLU H H 348 9.615 9.615 8.693 0.922 17812 938 1 3 . 1 1 349 349 CYS N N 349 119.153 119.153 115.818 3.335 17812 939 1 3 . 1 1 349 349 CYS HA H 349 4.778 4.778 4.564 0.214 17812 940 1 3 . 1 1 349 349 CYS CA C 349 60.216 60.216 58.666 1.550 17812 941 1 3 . 1 1 349 349 CYS CB C 349 32.008 32.008 28.474 3.534 17812 942 1 3 . 1 1 349 349 CYS H H 349 8.522 8.522 7.698 0.824 17812 943 1 3 . 1 1 350 350 ASP N N 350 115.218 115.218 119.363 -4.145 17812 944 1 3 . 1 1 350 350 ASP HA H 350 4.492 4.492 4.397 0.095 17812 945 1 3 . 1 1 350 350 ASP CA C 350 55.086 55.086 55.486 -0.400 17812 946 1 3 . 1 1 350 350 ASP CB C 350 41.386 41.386 38.721 2.666 17812 947 1 3 . 1 1 350 350 ASP H H 350 7.813 7.813 8.732 -0.919 17812 948 1 3 . 1 1 351 351 MET N N 351 117.029 117.029 118.007 -0.978 17812 949 1 3 . 1 1 351 351 MET HA H 351 4.520 4.520 4.609 -0.089 17812 950 1 3 . 1 1 351 351 MET C C 351 173.497 173.497 174.660 -1.163 17812 951 1 3 . 1 1 351 351 MET CA C 351 54.706 54.706 53.828 0.879 17812 952 1 3 . 1 1 351 351 MET CB C 351 34.605 34.605 36.703 -2.098 17812 953 1 3 . 1 1 351 351 MET H H 351 8.162 8.162 7.539 0.623 17812 954 1 3 . 1 1 352 352 ALA N N 352 123.068 123.068 124.100 -1.032 17812 955 1 3 . 1 1 352 352 ALA HA H 352 5.528 5.528 5.112 0.416 17812 956 1 3 . 1 1 352 352 ALA C C 352 177.545 177.545 176.152 1.393 17812 957 1 3 . 1 1 352 352 ALA CA C 352 49.943 49.943 51.266 -1.323 17812 958 1 3 . 1 1 352 352 ALA CB C 352 22.111 22.111 20.375 1.736 17812 959 1 3 . 1 1 352 352 ALA H H 352 8.499 8.499 8.244 0.255 17812 960 1 3 . 1 1 353 353 PHE N N 353 116.057 116.057 117.721 -1.664 17812 961 1 3 . 1 1 353 353 PHE HA H 353 5.106 5.106 4.961 0.145 17812 962 1 3 . 1 1 353 353 PHE C C 353 176.868 176.868 176.995 -0.127 17812 963 1 3 . 1 1 353 353 PHE CA C 353 56.416 56.416 56.960 -0.544 17812 964 1 3 . 1 1 353 353 PHE CB C 353 43.111 43.111 43.290 -0.179 17812 965 1 3 . 1 1 353 353 PHE H H 353 9.164 9.164 8.146 1.018 17812 966 1 3 . 1 1 354 354 HIS N N 354 124.053 124.053 122.671 1.382 17812 967 1 3 . 1 1 354 354 HIS HA H 354 4.650 4.650 4.526 0.124 17812 968 1 3 . 1 1 354 354 HIS C C 354 180.505 180.505 177.014 3.491 17812 969 1 3 . 1 1 354 354 HIS CA C 354 58.931 58.931 58.122 0.809 17812 970 1 3 . 1 1 354 354 HIS CB C 354 31.235 31.235 30.072 1.163 17812 971 1 3 . 1 1 354 354 HIS H H 354 9.388 9.388 9.144 0.244 17812 972 1 3 . 1 1 355 355 ILE N N 355 115.081 115.081 116.791 -1.710 17812 973 1 3 . 1 1 355 355 ILE HA H 355 3.928 3.928 3.727 0.201 17812 974 1 3 . 1 1 355 355 ILE C C 355 175.451 175.451 176.183 -0.732 17812 975 1 3 . 1 1 355 355 ILE CA C 355 65.726 65.726 64.008 1.718 17812 976 1 3 . 1 1 355 355 ILE CB C 355 36.292 36.292 36.754 -0.462 17812 977 1 3 . 1 1 355 355 ILE H H 355 8.568 8.568 8.449 0.119 17812 978 1 3 . 1 1 356 356 TYR N N 356 110.787 110.787 113.762 -2.975 17812 979 1 3 . 1 1 356 356 TYR HA H 356 4.801 4.801 4.623 0.178 17812 980 1 3 . 1 1 356 356 TYR C C 356 177.073 177.073 175.603 1.470 17812 981 1 3 . 1 1 356 356 TYR CA C 356 55.362 55.362 57.585 -2.223 17812 982 1 3 . 1 1 356 356 TYR CB C 356 36.767 36.767 38.607 -1.840 17812 983 1 3 . 1 1 356 356 TYR H H 356 6.117 6.117 7.711 -1.594 17812 984 1 3 . 1 1 357 357 CYS N N 357 121.584 121.584 117.442 4.142 17812 985 1 3 . 1 1 357 357 CYS HA H 357 4.537 4.537 3.504 1.033 17812 986 1 3 . 1 1 357 357 CYS C C 357 174.868 174.868 175.253 -0.385 17812 987 1 3 . 1 1 357 357 CYS CA C 357 62.349 62.349 59.571 2.778 17812 988 1 3 . 1 1 357 357 CYS CB C 357 31.087 31.087 26.542 4.545 17812 989 1 3 . 1 1 357 357 CYS H H 357 7.603 7.603 7.468 0.135 17812 990 1 3 . 1 1 358 358 LEU N N 358 119.134 119.134 121.078 -1.944 17812 991 1 3 . 1 1 358 358 LEU HA H 358 4.040 4.040 4.222 -0.182 17812 992 1 3 . 1 1 358 358 LEU CA C 358 55.465 55.465 55.154 0.311 17812 993 1 3 . 1 1 358 358 LEU CB C 358 44.020 44.020 42.120 1.900 17812 994 1 3 . 1 1 358 358 LEU H H 358 6.387 6.387 7.561 -1.174 17812 995 1 3 . 1 1 359 359 ASP N N 359 117.020 117.020 121.717 -4.697 17812 996 1 3 . 1 1 359 359 ASP HA H 359 4.985 4.985 4.479 0.506 17812 997 1 3 . 1 1 359 359 ASP CA C 359 50.354 50.354 56.197 -5.843 17812 998 1 3 . 1 1 359 359 ASP CB C 359 43.465 43.465 40.100 3.365 17812 999 1 3 . 1 1 359 359 ASP H H 359 8.167 8.167 8.523 -0.356 17812 1000 1 3 . 1 1 360 360 PRO HA H 360 5.202 5.202 4.496 0.706 17812 1001 1 3 . 1 1 360 360 PRO CA C 360 62.131 62.131 62.365 -0.234 17812 1002 1 3 . 1 1 360 360 PRO CB C 360 33.173 33.173 31.705 1.468 17812 1003 1 3 . 1 1 361 361 PRO HA H 361 4.462 4.462 4.516 -0.054 17812 1004 1 3 . 1 1 361 361 PRO C C 361 177.733 177.733 176.738 0.995 17812 1005 1 3 . 1 1 361 361 PRO CA C 361 63.068 63.068 62.102 0.966 17812 1006 1 3 . 1 1 361 361 PRO CB C 361 32.301 32.301 32.784 -0.483 17812 1007 1 3 . 1 1 362 362 LEU N N 362 121.043 121.043 121.125 -0.082 17812 1008 1 3 . 1 1 362 362 LEU HA H 362 4.761 4.761 4.456 0.305 17812 1009 1 3 . 1 1 362 362 LEU C C 362 177.392 177.392 178.215 -0.823 17812 1010 1 3 . 1 1 362 362 LEU CA C 362 53.621 53.621 54.561 -0.940 17812 1011 1 3 . 1 1 362 362 LEU CB C 362 43.759 43.759 42.317 1.442 17812 1012 1 3 . 1 1 362 362 LEU H H 362 7.798 7.798 8.043 -0.245 17812 1013 1 3 . 1 1 363 363 SER N N 363 115.324 115.324 117.015 -1.691 17812 1014 1 3 . 1 1 363 363 SER HA H 363 4.377 4.377 4.371 0.006 17812 1015 1 3 . 1 1 363 363 SER C C 363 174.070 174.070 174.396 -0.326 17812 1016 1 3 . 1 1 363 363 SER CA C 363 59.341 59.341 60.252 -0.911 17812 1017 1 3 . 1 1 363 363 SER CB C 363 63.871 63.871 63.648 0.223 17812 1018 1 3 . 1 1 363 363 SER H H 363 8.899 8.899 8.722 0.177 17812 1019 1 3 . 1 1 364 364 SER N N 364 112.898 112.898 114.189 -1.291 17812 1020 1 3 . 1 1 364 364 SER HA H 364 4.451 4.451 4.559 -0.108 17812 1021 1 3 . 1 1 364 364 SER C C 364 173.066 173.066 172.736 0.330 17812 1022 1 3 . 1 1 364 364 SER CA C 364 56.852 56.852 57.640 -0.788 17812 1023 1 3 . 1 1 364 364 SER CB C 364 65.197 65.197 65.029 0.168 17812 1024 1 3 . 1 1 364 364 SER H H 364 7.460 7.460 7.647 -0.187 17812 1025 1 3 . 1 1 365 365 VAL N N 365 123.433 123.433 122.169 1.264 17812 1026 1 3 . 1 1 365 365 VAL HA H 365 3.820 3.820 4.325 -0.505 17812 1027 1 3 . 1 1 365 365 VAL CA C 365 61.613 61.613 59.720 1.893 17812 1028 1 3 . 1 1 365 365 VAL CB C 365 32.428 32.428 32.343 0.085 17812 1029 1 3 . 1 1 365 365 VAL H H 365 8.695 8.695 8.253 0.442 17812 1030 1 3 . 1 1 366 366 PRO HA H 366 4.457 4.457 4.544 -0.087 17812 1031 1 3 . 1 1 366 366 PRO C C 366 175.679 175.679 176.370 -0.691 17812 1032 1 3 . 1 1 366 366 PRO CA C 366 63.224 63.224 62.958 0.266 17812 1033 1 3 . 1 1 366 366 PRO CB C 366 32.526 32.526 32.454 0.072 17812 1034 1 3 . 1 1 367 367 SER N N 367 116.079 116.079 116.986 -0.907 17812 1035 1 3 . 1 1 367 367 SER HA H 367 4.456 4.456 4.524 -0.068 17812 1036 1 3 . 1 1 367 367 SER C C 367 174.796 174.796 175.836 -1.040 17812 1037 1 3 . 1 1 367 367 SER CA C 367 58.855 58.855 58.532 0.323 17812 1038 1 3 . 1 1 367 367 SER CB C 367 64.091 64.091 64.081 0.010 17812 1039 1 3 . 1 1 367 367 SER H H 367 8.648 8.648 8.448 0.200 17812 1040 1 3 . 1 1 368 368 GLU N N 368 122.642 122.642 120.978 1.664 17812 1041 1 3 . 1 1 368 368 GLU HA H 368 4.275 4.275 4.228 0.047 17812 1042 1 3 . 1 1 368 368 GLU CA C 368 57.631 57.631 57.846 -0.214 17812 1043 1 3 . 1 1 368 368 GLU CB C 368 30.124 30.124 30.036 0.088 17812 1044 1 3 . 1 1 368 368 GLU H H 368 8.629 8.629 8.333 0.296 17812 1045 1 3 . 1 1 369 369 ASP N N 369 120.686 120.686 116.201 4.485 17812 1046 1 3 . 1 1 369 369 ASP HA H 369 4.332 4.332 4.652 -0.320 17812 1047 1 3 . 1 1 369 369 ASP CA C 369 57.181 57.181 53.173 4.008 17812 1048 1 3 . 1 1 369 369 ASP CB C 369 41.404 41.404 41.917 -0.513 17812 1049 1 3 . 1 1 369 369 ASP H H 369 8.614 8.614 7.754 0.860 17812 1050 1 3 . 1 1 370 370 GLU N N 370 115.631 115.631 119.471 -3.840 17812 1051 1 3 . 1 1 370 370 GLU HA H 370 4.861 4.861 4.254 0.607 17812 1052 1 3 . 1 1 370 370 GLU C C 370 175.047 175.047 176.119 -1.072 17812 1053 1 3 . 1 1 370 370 GLU CA C 370 54.687 54.687 56.809 -2.122 17812 1054 1 3 . 1 1 370 370 GLU CB C 370 32.837 32.837 29.954 2.883 17812 1055 1 3 . 1 1 370 370 GLU H H 370 7.823 7.823 8.415 -0.592 17812 1056 1 3 . 1 1 371 371 TRP N N 371 124.056 124.056 124.472 -0.416 17812 1057 1 3 . 1 1 371 371 TRP HA H 371 4.311 4.311 4.608 -0.297 17812 1058 1 3 . 1 1 371 371 TRP C C 371 171.586 171.586 173.904 -2.318 17812 1059 1 3 . 1 1 371 371 TRP CA C 371 59.845 59.845 56.334 3.511 17812 1060 1 3 . 1 1 371 371 TRP CB C 371 31.317 31.317 30.134 1.183 17812 1061 1 3 . 1 1 371 371 TRP H H 371 9.205 9.205 8.230 0.975 17812 1062 1 3 . 1 1 372 372 TYR N N 372 122.933 122.933 122.394 0.539 17812 1063 1 3 . 1 1 372 372 TYR HA H 372 5.217 5.217 4.139 1.078 17812 1064 1 3 . 1 1 372 372 TYR C C 372 173.821 173.821 175.076 -1.255 17812 1065 1 3 . 1 1 372 372 TYR CA C 372 54.963 54.963 55.336 -0.372 17812 1066 1 3 . 1 1 372 372 TYR CB C 372 41.593 41.593 39.914 1.679 17812 1067 1 3 . 1 1 372 372 TYR H H 372 6.907 6.907 7.779 -0.872 17812 1068 1 3 . 1 1 373 373 CYS N N 373 127.647 127.647 119.543 8.104 17812 1069 1 3 . 1 1 373 373 CYS HA H 373 3.530 3.530 3.470 0.060 17812 1070 1 3 . 1 1 373 373 CYS CA C 373 57.539 57.539 54.967 2.572 17812 1071 1 3 . 1 1 373 373 CYS CB C 373 30.549 30.549 26.971 3.578 17812 1072 1 3 . 1 1 373 373 CYS H H 373 9.310 9.310 7.932 1.378 17812 1073 1 3 . 1 1 374 374 PRO HA H 374 3.987 3.987 3.976 0.011 17812 1074 1 3 . 1 1 374 374 PRO C C 374 178.008 178.008 178.308 -0.300 17812 1075 1 3 . 1 1 374 374 PRO CA C 374 65.504 65.504 65.515 -0.011 17812 1076 1 3 . 1 1 374 374 PRO CB C 374 32.293 32.293 31.662 0.631 17812 1077 1 3 . 1 1 375 375 GLU N N 375 116.759 116.759 117.286 -0.527 17812 1078 1 3 . 1 1 375 375 GLU HA H 375 4.237 4.237 4.100 0.137 17812 1079 1 3 . 1 1 375 375 GLU C C 375 177.054 177.054 177.596 -0.542 17812 1080 1 3 . 1 1 375 375 GLU CA C 375 58.479 58.479 58.910 -0.431 17812 1081 1 3 . 1 1 375 375 GLU CB C 375 30.939 30.939 29.204 1.735 17812 1082 1 3 . 1 1 375 375 GLU H H 375 8.111 8.111 8.821 -0.710 17812 1083 1 3 . 1 1 376 376 CYS N N 376 122.642 122.642 117.088 5.554 17812 1084 1 3 . 1 1 376 376 CYS HA H 376 4.055 4.055 4.181 -0.126 17812 1085 1 3 . 1 1 376 376 CYS CA C 376 62.498 62.498 62.289 0.209 17812 1086 1 3 . 1 1 376 376 CYS CB C 376 31.379 31.379 26.878 4.501 17812 1087 1 3 . 1 1 376 376 CYS H H 376 8.075 8.075 7.434 0.641 17812 1088 1 3 . 1 1 377 377 ARG N N 377 117.680 117.680 119.844 -2.164 17812 1089 1 3 . 1 1 377 377 ARG HA H 377 3.948 3.948 4.015 -0.067 17812 1090 1 3 . 1 1 377 377 ARG C C 377 56.425 56.425 177.757 -121.332 17812 1091 1 3 . 1 1 377 377 ARG CB C 377 30.678 30.678 30.107 0.571 17812 1092 1 3 . 1 1 377 377 ARG H H 377 7.856 7.856 7.859 -0.003 17812 1093 1 3 . 1 1 378 378 ASN N N 378 119.726 119.726 115.918 3.808 17812 1094 1 3 . 1 1 378 378 ASN HA H 378 4.695 4.695 4.753 -0.058 17812 1095 1 3 . 1 1 378 378 ASN C C 378 173.554 173.554 174.614 -1.060 17812 1096 1 3 . 1 1 378 378 ASN CA C 378 53.204 53.204 52.818 0.386 17812 1097 1 3 . 1 1 378 378 ASN CB C 378 39.516 39.516 38.094 1.421 17812 1098 1 3 . 1 1 378 378 ASN H H 378 8.189 8.189 7.835 0.354 17812 1099 1 4 . 1 1 312 312 GLY N N 312 110.352 110.352 110.798 -0.446 17812 1100 1 4 . 1 1 312 312 GLY CA C 312 44.546 44.546 45.623 -1.077 17812 1101 1 4 . 1 1 312 312 GLY H H 312 7.809 7.809 8.369 -0.560 17812 1102 1 4 . 1 1 313 313 PRO HA H 313 4.433 4.433 4.502 -0.069 17812 1103 1 4 . 1 1 313 313 PRO CA C 313 62.527 62.527 62.804 -0.277 17812 1104 1 4 . 1 1 313 313 PRO CB C 313 31.680 31.680 32.398 -0.718 17812 1105 1 4 . 1 1 314 314 SER N N 314 120.711 120.711 115.755 4.956 17812 1106 1 4 . 1 1 314 314 SER HA H 314 4.331 4.331 4.256 0.075 17812 1107 1 4 . 1 1 314 314 SER C C 314 174.789 174.789 174.392 0.397 17812 1108 1 4 . 1 1 314 314 SER CA C 314 60.627 60.627 60.016 0.611 17812 1109 1 4 . 1 1 314 314 SER CB C 314 63.925 63.925 63.418 0.507 17812 1110 1 4 . 1 1 314 314 SER H H 314 10.435 10.435 8.405 2.030 17812 1111 1 4 . 1 1 315 315 CYS N N 315 125.240 125.240 120.223 5.017 17812 1112 1 4 . 1 1 315 315 CYS HA H 315 4.698 4.698 4.620 0.078 17812 1113 1 4 . 1 1 315 315 CYS C C 315 176.852 176.852 174.837 2.015 17812 1114 1 4 . 1 1 315 315 CYS CA C 315 58.281 58.281 57.961 0.320 17812 1115 1 4 . 1 1 315 315 CYS CB C 315 32.487 32.487 28.010 4.477 17812 1116 1 4 . 1 1 315 315 CYS H H 315 9.159 9.159 7.937 1.222 17812 1117 1 4 . 1 1 316 316 LYS N N 316 127.250 127.250 126.767 0.483 17812 1118 1 4 . 1 1 316 316 LYS HA H 316 4.005 4.005 3.986 0.019 17812 1119 1 4 . 1 1 316 316 LYS C C 316 176.341 176.341 177.475 -1.134 17812 1120 1 4 . 1 1 316 316 LYS CA C 316 58.026 58.026 58.868 -0.842 17812 1121 1 4 . 1 1 316 316 LYS CB C 316 32.116 32.116 32.280 -0.164 17812 1122 1 4 . 1 1 316 316 LYS H H 316 8.951 8.951 8.751 0.200 17812 1123 1 4 . 1 1 317 317 HIS N N 317 121.622 121.622 117.959 3.663 17812 1124 1 4 . 1 1 317 317 HIS HA H 317 4.367 4.367 4.507 -0.140 17812 1125 1 4 . 1 1 317 317 HIS C C 317 176.348 176.348 177.229 -0.881 17812 1126 1 4 . 1 1 317 317 HIS CA C 317 59.351 59.351 59.239 0.112 17812 1127 1 4 . 1 1 317 317 HIS CB C 317 31.034 31.034 29.361 1.673 17812 1128 1 4 . 1 1 317 317 HIS H H 317 8.882 8.882 7.781 1.101 17812 1129 1 4 . 1 1 318 318 CYS N N 318 115.222 115.222 117.886 -2.664 17812 1130 1 4 . 1 1 318 318 CYS HA H 318 4.839 4.839 4.359 0.480 17812 1131 1 4 . 1 1 318 318 CYS C C 318 176.909 176.909 176.179 0.730 17812 1132 1 4 . 1 1 318 318 CYS CA C 318 58.040 58.040 61.676 -3.636 17812 1133 1 4 . 1 1 318 318 CYS CB C 318 31.925 31.925 26.076 5.849 17812 1134 1 4 . 1 1 318 318 CYS H H 318 8.081 8.081 7.785 0.296 17812 1135 1 4 . 1 1 319 319 LYS N N 319 119.827 119.827 119.084 0.743 17812 1136 1 4 . 1 1 319 319 LYS HA H 319 3.886 3.886 4.070 -0.184 17812 1137 1 4 . 1 1 319 319 LYS C C 319 174.670 174.670 178.343 -3.673 17812 1138 1 4 . 1 1 319 319 LYS CA C 319 57.728 57.728 58.894 -1.166 17812 1139 1 4 . 1 1 319 319 LYS CB C 319 28.902 28.902 32.342 -3.440 17812 1140 1 4 . 1 1 319 319 LYS H H 319 7.895 7.895 7.584 0.311 17812 1141 1 4 . 1 1 320 320 ASP N N 320 117.610 117.610 118.453 -0.843 17812 1142 1 4 . 1 1 320 320 ASP HA H 320 4.206 4.206 4.471 -0.265 17812 1143 1 4 . 1 1 320 320 ASP C C 320 174.861 174.861 176.975 -2.114 17812 1144 1 4 . 1 1 320 320 ASP CA C 320 54.551 54.551 56.579 -2.028 17812 1145 1 4 . 1 1 320 320 ASP CB C 320 38.354 38.354 40.915 -2.561 17812 1146 1 4 . 1 1 320 320 ASP H H 320 8.873 8.873 7.830 1.043 17812 1147 1 4 . 1 1 321 321 ASP N N 321 118.813 118.813 118.204 0.609 17812 1148 1 4 . 1 1 321 321 ASP HA H 321 4.595 4.595 4.977 -0.382 17812 1149 1 4 . 1 1 321 321 ASP C C 321 176.386 176.386 176.040 0.346 17812 1150 1 4 . 1 1 321 321 ASP CA C 321 53.781 53.781 53.361 0.420 17812 1151 1 4 . 1 1 321 321 ASP CB C 321 40.782 40.782 40.399 0.383 17812 1152 1 4 . 1 1 321 321 ASP H H 321 7.212 7.212 7.681 -0.469 17812 1153 1 4 . 1 1 322 322 VAL N N 322 122.228 122.228 121.028 1.200 17812 1154 1 4 . 1 1 322 322 VAL HA H 322 3.866 3.866 3.693 0.173 17812 1155 1 4 . 1 1 322 322 VAL CA C 322 63.885 63.885 65.492 -1.607 17812 1156 1 4 . 1 1 322 322 VAL CB C 322 31.385 31.385 32.020 -0.635 17812 1157 1 4 . 1 1 322 322 VAL H H 322 8.060 8.060 8.285 -0.225 17812 1158 1 4 . 1 1 323 323 ASN N N 323 117.787 117.787 114.425 3.362 17812 1159 1 4 . 1 1 323 323 ASN HA H 323 4.710 4.710 4.618 0.092 17812 1160 1 4 . 1 1 323 323 ASN CA C 323 54.065 54.065 53.738 0.327 17812 1161 1 4 . 1 1 323 323 ASN CB C 323 38.876 38.876 38.230 0.646 17812 1162 1 4 . 1 1 323 323 ASN H H 323 8.486 8.486 8.363 0.123 17812 1163 1 4 . 1 1 324 324 ARG N N 324 120.106 120.106 119.681 0.425 17812 1164 1 4 . 1 1 324 324 ARG HA H 324 4.632 4.632 4.528 0.104 17812 1165 1 4 . 1 1 324 324 ARG C C 324 175.881 175.881 174.339 1.542 17812 1166 1 4 . 1 1 324 324 ARG CA C 324 54.488 54.488 54.949 -0.461 17812 1167 1 4 . 1 1 324 324 ARG CB C 324 32.709 32.709 32.994 -0.285 17812 1168 1 4 . 1 1 324 324 ARG H H 324 7.955 7.955 7.718 0.237 17812 1169 1 4 . 1 1 325 325 LEU N N 325 123.983 123.983 120.978 3.005 17812 1170 1 4 . 1 1 325 325 LEU HA H 325 4.422 4.422 4.441 -0.019 17812 1171 1 4 . 1 1 325 325 LEU C C 325 177.647 177.647 177.151 0.496 17812 1172 1 4 . 1 1 325 325 LEU CA C 325 54.910 54.910 54.474 0.436 17812 1173 1 4 . 1 1 325 325 LEU CB C 325 42.720 42.720 42.534 0.186 17812 1174 1 4 . 1 1 325 325 LEU H H 325 8.423 8.423 8.238 0.185 17812 1175 1 4 . 1 1 326 326 CYS N N 326 123.693 123.693 122.970 0.723 17812 1176 1 4 . 1 1 326 326 CYS HA H 326 4.474 4.474 4.756 -0.282 17812 1177 1 4 . 1 1 326 326 CYS C C 326 174.472 174.472 175.982 -1.510 17812 1178 1 4 . 1 1 326 326 CYS CA C 326 60.503 60.503 57.138 3.365 17812 1179 1 4 . 1 1 326 326 CYS CB C 326 32.551 32.551 30.086 2.465 17812 1180 1 4 . 1 1 326 326 CYS H H 326 9.277 9.277 8.606 0.671 17812 1181 1 4 . 1 1 327 327 ARG N N 327 126.881 126.881 125.305 1.576 17812 1182 1 4 . 1 1 327 327 ARG HA H 327 4.579 4.579 4.065 0.514 17812 1183 1 4 . 1 1 327 327 ARG C C 327 175.128 175.128 177.732 -2.604 17812 1184 1 4 . 1 1 327 327 ARG CA C 327 56.522 56.522 59.008 -2.486 17812 1185 1 4 . 1 1 327 327 ARG CB C 327 29.116 29.116 30.115 -0.999 17812 1186 1 4 . 1 1 327 327 ARG H H 327 8.880 8.880 8.802 0.078 17812 1187 1 4 . 1 1 328 328 VAL N N 328 123.112 123.112 117.847 5.265 17812 1188 1 4 . 1 1 328 328 VAL HA H 328 4.139 4.139 3.750 0.389 17812 1189 1 4 . 1 1 328 328 VAL C C 328 176.618 176.618 176.888 -0.270 17812 1190 1 4 . 1 1 328 328 VAL CA C 328 65.790 65.790 64.679 1.111 17812 1191 1 4 . 1 1 328 328 VAL CB C 328 32.296 32.296 31.649 0.647 17812 1192 1 4 . 1 1 328 328 VAL H H 328 9.058 9.058 8.007 1.051 17812 1193 1 4 . 1 1 329 329 CYS N N 329 117.822 117.822 117.048 0.774 17812 1194 1 4 . 1 1 329 329 CYS HA H 329 4.975 4.975 4.686 0.289 17812 1195 1 4 . 1 1 329 329 CYS C C 329 174.466 174.466 173.436 1.030 17812 1196 1 4 . 1 1 329 329 CYS CA C 329 58.446 58.446 56.575 1.871 17812 1197 1 4 . 1 1 329 329 CYS CB C 329 31.850 31.850 25.961 5.889 17812 1198 1 4 . 1 1 329 329 CYS H H 329 8.372 8.372 7.760 0.612 17812 1199 1 4 . 1 1 330 330 ALA N N 330 130.671 130.671 124.910 5.761 17812 1200 1 4 . 1 1 330 330 ALA HA H 330 4.575 4.575 4.488 0.087 17812 1201 1 4 . 1 1 330 330 ALA C C 330 175.000 175.000 175.046 -0.046 17812 1202 1 4 . 1 1 330 330 ALA CA C 330 50.393 50.393 51.060 -0.667 17812 1203 1 4 . 1 1 330 330 ALA CB C 330 19.244 19.244 20.787 -1.543 17812 1204 1 4 . 1 1 330 330 ALA H H 330 7.030 7.030 7.454 -0.424 17812 1205 1 4 . 1 1 331 331 CYS N N 331 118.585 118.585 119.884 -1.299 17812 1206 1 4 . 1 1 331 331 CYS HA H 331 3.587 3.587 4.621 -1.034 17812 1207 1 4 . 1 1 331 331 CYS C C 331 177.953 177.953 177.008 0.945 17812 1208 1 4 . 1 1 331 331 CYS CA C 331 60.241 60.241 58.780 1.461 17812 1209 1 4 . 1 1 331 331 CYS CB C 331 30.524 30.524 27.463 3.061 17812 1210 1 4 . 1 1 331 331 CYS H H 331 7.081 7.081 8.808 -1.727 17812 1211 1 4 . 1 1 332 332 HIS N N 332 127.546 127.546 127.947 -0.401 17812 1212 1 4 . 1 1 332 332 HIS HA H 332 4.752 4.752 4.233 0.519 17812 1213 1 4 . 1 1 332 332 HIS C C 332 174.236 174.236 175.297 -1.061 17812 1214 1 4 . 1 1 332 332 HIS CA C 332 56.287 56.287 58.489 -2.202 17812 1215 1 4 . 1 1 332 332 HIS CB C 332 28.769 28.769 30.088 -1.319 17812 1216 1 4 . 1 1 332 332 HIS H H 332 9.757 9.757 9.124 0.633 17812 1217 1 4 . 1 1 333 333 LEU N N 333 118.061 118.061 117.870 0.191 17812 1218 1 4 . 1 1 333 333 LEU HA H 333 4.580 4.580 4.033 0.547 17812 1219 1 4 . 1 1 333 333 LEU C C 333 177.564 177.564 178.682 -1.118 17812 1220 1 4 . 1 1 333 333 LEU CA C 333 56.046 56.046 55.927 0.119 17812 1221 1 4 . 1 1 333 333 LEU CB C 333 42.986 42.986 42.398 0.588 17812 1222 1 4 . 1 1 333 333 LEU H H 333 8.773 8.773 7.603 1.170 17812 1223 1 4 . 1 1 334 334 CYS N N 334 118.393 118.393 115.665 2.728 17812 1224 1 4 . 1 1 334 334 CYS HA H 334 5.084 5.084 4.375 0.709 17812 1225 1 4 . 1 1 334 334 CYS C C 334 176.736 176.736 176.177 0.559 17812 1226 1 4 . 1 1 334 334 CYS CA C 334 58.973 58.973 59.965 -0.992 17812 1227 1 4 . 1 1 334 334 CYS CB C 334 32.481 32.481 27.402 5.079 17812 1228 1 4 . 1 1 334 334 CYS H H 334 8.310 8.310 8.302 0.008 17812 1229 1 4 . 1 1 335 335 GLY N N 335 115.992 115.992 110.473 5.519 17812 1230 1 4 . 1 1 335 335 GLY C C 335 172.059 172.059 174.609 -2.550 17812 1231 1 4 . 1 1 335 335 GLY CA C 335 45.652 45.652 44.906 0.746 17812 1232 1 4 . 1 1 335 335 GLY H H 335 8.596 8.596 8.599 -0.003 17812 1233 1 4 . 1 1 336 336 GLY N N 336 111.360 111.360 106.851 4.509 17812 1234 1 4 . 1 1 336 336 GLY C C 336 174.101 174.101 173.380 0.721 17812 1235 1 4 . 1 1 336 336 GLY CA C 336 44.987 44.987 44.003 0.984 17812 1236 1 4 . 1 1 336 336 GLY H H 336 9.594 9.594 7.843 1.751 17812 1237 1 4 . 1 1 337 337 ARG N N 337 118.859 118.859 119.184 -0.325 17812 1238 1 4 . 1 1 337 337 ARG HA H 337 4.413 4.413 4.507 -0.094 17812 1239 1 4 . 1 1 337 337 ARG C C 337 177.635 177.635 176.625 1.010 17812 1240 1 4 . 1 1 337 337 ARG CA C 337 55.364 55.364 55.821 -0.457 17812 1241 1 4 . 1 1 337 337 ARG CB C 337 31.337 31.337 30.699 0.638 17812 1242 1 4 . 1 1 337 337 ARG H H 337 8.827 8.827 8.623 0.204 17812 1243 1 4 . 1 1 338 338 GLN N N 338 120.950 120.950 119.456 1.494 17812 1244 1 4 . 1 1 338 338 GLN HA H 338 4.376 4.376 4.152 0.224 17812 1245 1 4 . 1 1 338 338 GLN C C 338 176.420 176.420 175.467 0.953 17812 1246 1 4 . 1 1 338 338 GLN CA C 338 55.694 55.694 58.087 -2.393 17812 1247 1 4 . 1 1 338 338 GLN CB C 338 28.096 28.096 29.216 -1.120 17812 1248 1 4 . 1 1 338 338 GLN H H 338 9.568 9.568 8.341 1.227 17812 1249 1 4 . 1 1 339 339 ASP N N 339 117.880 117.880 114.022 3.858 17812 1250 1 4 . 1 1 339 339 ASP HA H 339 4.625 4.625 5.020 -0.395 17812 1251 1 4 . 1 1 339 339 ASP CA C 339 55.283 55.283 52.862 2.421 17812 1252 1 4 . 1 1 339 339 ASP CB C 339 41.092 41.092 42.181 -1.089 17812 1253 1 4 . 1 1 339 339 ASP H H 339 9.681 9.681 8.077 1.604 17812 1254 1 4 . 1 1 340 340 PRO HA H 340 4.140 4.140 4.066 0.074 17812 1255 1 4 . 1 1 340 340 PRO C C 340 177.463 177.463 177.884 -0.421 17812 1256 1 4 . 1 1 340 340 PRO CA C 340 65.883 65.883 65.070 0.813 17812 1257 1 4 . 1 1 340 340 PRO CB C 340 30.045 30.045 31.892 -1.847 17812 1258 1 4 . 1 1 341 341 ASP N N 341 115.117 115.117 116.744 -1.627 17812 1259 1 4 . 1 1 341 341 ASP HA H 341 4.642 4.642 4.425 0.217 17812 1260 1 4 . 1 1 341 341 ASP C C 341 175.663 175.663 176.803 -1.140 17812 1261 1 4 . 1 1 341 341 ASP CA C 341 54.735 54.735 55.896 -1.161 17812 1262 1 4 . 1 1 341 341 ASP CB C 341 39.135 39.135 39.579 -0.444 17812 1263 1 4 . 1 1 341 341 ASP H H 341 9.176 9.176 8.627 0.549 17812 1264 1 4 . 1 1 342 342 LYS N N 342 117.582 117.582 117.363 0.219 17812 1265 1 4 . 1 1 342 342 LYS HA H 342 4.351 4.351 4.333 0.018 17812 1266 1 4 . 1 1 342 342 LYS CA C 342 54.496 54.496 55.874 -1.378 17812 1267 1 4 . 1 1 342 342 LYS CB C 342 33.968 33.968 32.618 1.350 17812 1268 1 4 . 1 1 342 342 LYS H H 342 8.056 8.056 7.466 0.590 17812 1269 1 4 . 1 1 343 343 GLN N N 343 119.535 119.535 118.515 1.020 17812 1270 1 4 . 1 1 343 343 GLN HA H 343 4.510 4.510 4.064 0.446 17812 1271 1 4 . 1 1 343 343 GLN C C 343 175.176 175.176 175.144 0.032 17812 1272 1 4 . 1 1 343 343 GLN CA C 343 54.652 54.652 55.835 -1.183 17812 1273 1 4 . 1 1 343 343 GLN CB C 343 29.270 29.270 29.294 -0.024 17812 1274 1 4 . 1 1 343 343 GLN H H 343 7.174 7.174 7.037 0.137 17812 1275 1 4 . 1 1 344 344 LEU N N 344 124.836 124.836 125.253 -0.417 17812 1276 1 4 . 1 1 344 344 LEU HA H 344 4.307 4.307 4.656 -0.349 17812 1277 1 4 . 1 1 344 344 LEU CA C 344 53.564 53.564 54.143 -0.579 17812 1278 1 4 . 1 1 344 344 LEU CB C 344 44.381 44.381 44.075 0.306 17812 1279 1 4 . 1 1 344 344 LEU H H 344 8.215 8.215 8.708 -0.493 17812 1280 1 4 . 1 1 345 345 MET N N 345 119.349 119.349 125.667 -6.318 17812 1281 1 4 . 1 1 345 345 MET HA H 345 5.433 5.433 5.241 0.192 17812 1282 1 4 . 1 1 345 345 MET C C 345 175.462 175.462 175.281 0.181 17812 1283 1 4 . 1 1 345 345 MET CA C 345 52.877 52.877 54.315 -1.438 17812 1284 1 4 . 1 1 345 345 MET CB C 345 32.312 32.312 34.901 -2.588 17812 1285 1 4 . 1 1 345 345 MET H H 345 8.086 8.086 8.407 -0.321 17812 1286 1 4 . 1 1 346 346 CYS N N 346 124.792 124.792 128.049 -3.257 17812 1287 1 4 . 1 1 346 346 CYS HA H 346 4.751 4.751 4.882 -0.131 17812 1288 1 4 . 1 1 346 346 CYS C C 346 177.998 177.998 175.762 2.236 17812 1289 1 4 . 1 1 346 346 CYS CA C 346 60.088 60.088 58.224 1.864 17812 1290 1 4 . 1 1 346 346 CYS CB C 346 32.345 32.345 29.472 2.873 17812 1291 1 4 . 1 1 346 346 CYS H H 346 9.088 9.088 8.896 0.192 17812 1292 1 4 . 1 1 347 347 ASP N N 347 129.440 129.440 126.854 2.586 17812 1293 1 4 . 1 1 347 347 ASP HA H 347 4.624 4.624 4.615 0.009 17812 1294 1 4 . 1 1 347 347 ASP C C 347 174.755 174.755 177.433 -2.678 17812 1295 1 4 . 1 1 347 347 ASP CA C 347 57.932 57.932 56.664 1.268 17812 1296 1 4 . 1 1 347 347 ASP CB C 347 41.115 41.115 40.939 0.176 17812 1297 1 4 . 1 1 347 347 ASP H H 347 9.154 9.154 8.868 0.286 17812 1298 1 4 . 1 1 348 348 GLU N N 348 124.253 124.253 118.120 6.133 17812 1299 1 4 . 1 1 348 348 GLU HA H 348 4.895 4.895 4.185 0.710 17812 1300 1 4 . 1 1 348 348 GLU C C 348 176.439 176.439 177.450 -1.011 17812 1301 1 4 . 1 1 348 348 GLU CA C 348 58.673 58.673 58.794 -0.121 17812 1302 1 4 . 1 1 348 348 GLU CB C 348 30.510 30.510 29.931 0.579 17812 1303 1 4 . 1 1 348 348 GLU H H 348 9.615 9.615 8.717 0.898 17812 1304 1 4 . 1 1 349 349 CYS N N 349 119.153 119.153 116.593 2.560 17812 1305 1 4 . 1 1 349 349 CYS HA H 349 4.778 4.778 4.680 0.098 17812 1306 1 4 . 1 1 349 349 CYS CA C 349 60.216 60.216 59.224 0.992 17812 1307 1 4 . 1 1 349 349 CYS CB C 349 32.008 32.008 28.314 3.695 17812 1308 1 4 . 1 1 349 349 CYS H H 349 8.522 8.522 7.708 0.814 17812 1309 1 4 . 1 1 350 350 ASP N N 350 115.218 115.218 118.423 -3.205 17812 1310 1 4 . 1 1 350 350 ASP HA H 350 4.492 4.492 4.385 0.107 17812 1311 1 4 . 1 1 350 350 ASP CA C 350 55.086 55.086 55.725 -0.639 17812 1312 1 4 . 1 1 350 350 ASP CB C 350 41.386 41.386 38.431 2.955 17812 1313 1 4 . 1 1 350 350 ASP H H 350 7.813 7.813 8.755 -0.942 17812 1314 1 4 . 1 1 351 351 MET N N 351 117.029 117.029 116.387 0.642 17812 1315 1 4 . 1 1 351 351 MET HA H 351 4.520 4.520 4.686 -0.166 17812 1316 1 4 . 1 1 351 351 MET C C 351 173.497 173.497 174.569 -1.072 17812 1317 1 4 . 1 1 351 351 MET CA C 351 54.706 54.706 54.486 0.220 17812 1318 1 4 . 1 1 351 351 MET CB C 351 34.605 34.605 37.039 -2.434 17812 1319 1 4 . 1 1 351 351 MET H H 351 8.162 8.162 7.523 0.639 17812 1320 1 4 . 1 1 352 352 ALA N N 352 123.068 123.068 122.498 0.570 17812 1321 1 4 . 1 1 352 352 ALA HA H 352 5.528 5.528 5.445 0.083 17812 1322 1 4 . 1 1 352 352 ALA C C 352 177.545 177.545 176.488 1.057 17812 1323 1 4 . 1 1 352 352 ALA CA C 352 49.943 49.943 51.029 -1.086 17812 1324 1 4 . 1 1 352 352 ALA CB C 352 22.111 22.111 20.535 1.575 17812 1325 1 4 . 1 1 352 352 ALA H H 352 8.499 8.499 8.624 -0.125 17812 1326 1 4 . 1 1 353 353 PHE N N 353 116.057 116.057 118.786 -2.729 17812 1327 1 4 . 1 1 353 353 PHE HA H 353 5.106 5.106 4.901 0.205 17812 1328 1 4 . 1 1 353 353 PHE C C 353 176.868 176.868 176.630 0.238 17812 1329 1 4 . 1 1 353 353 PHE CA C 353 56.416 56.416 57.237 -0.821 17812 1330 1 4 . 1 1 353 353 PHE CB C 353 43.111 43.111 43.497 -0.386 17812 1331 1 4 . 1 1 353 353 PHE H H 353 9.164 9.164 8.161 1.003 17812 1332 1 4 . 1 1 354 354 HIS N N 354 124.053 124.053 121.621 2.432 17812 1333 1 4 . 1 1 354 354 HIS HA H 354 4.650 4.650 4.331 0.319 17812 1334 1 4 . 1 1 354 354 HIS C C 354 180.505 180.505 176.996 3.509 17812 1335 1 4 . 1 1 354 354 HIS CA C 354 58.931 58.931 57.350 1.581 17812 1336 1 4 . 1 1 354 354 HIS CB C 354 31.235 31.235 29.405 1.830 17812 1337 1 4 . 1 1 354 354 HIS H H 354 9.388 9.388 9.067 0.321 17812 1338 1 4 . 1 1 355 355 ILE N N 355 115.081 115.081 117.367 -2.286 17812 1339 1 4 . 1 1 355 355 ILE HA H 355 3.928 3.928 3.591 0.337 17812 1340 1 4 . 1 1 355 355 ILE C C 355 175.451 175.451 176.231 -0.780 17812 1341 1 4 . 1 1 355 355 ILE CA C 355 65.726 65.726 64.232 1.494 17812 1342 1 4 . 1 1 355 355 ILE CB C 355 36.292 36.292 36.949 -0.657 17812 1343 1 4 . 1 1 355 355 ILE H H 355 8.568 8.568 8.040 0.528 17812 1344 1 4 . 1 1 356 356 TYR N N 356 110.787 110.787 114.219 -3.432 17812 1345 1 4 . 1 1 356 356 TYR HA H 356 4.801 4.801 4.589 0.212 17812 1346 1 4 . 1 1 356 356 TYR C C 356 177.073 177.073 175.584 1.489 17812 1347 1 4 . 1 1 356 356 TYR CA C 356 55.362 55.362 57.865 -2.503 17812 1348 1 4 . 1 1 356 356 TYR CB C 356 36.767 36.767 38.756 -1.989 17812 1349 1 4 . 1 1 356 356 TYR H H 356 6.117 6.117 7.574 -1.457 17812 1350 1 4 . 1 1 357 357 CYS N N 357 121.584 121.584 116.973 4.611 17812 1351 1 4 . 1 1 357 357 CYS HA H 357 4.537 4.537 3.532 1.005 17812 1352 1 4 . 1 1 357 357 CYS C C 357 174.868 174.868 175.419 -0.551 17812 1353 1 4 . 1 1 357 357 CYS CA C 357 62.349 62.349 59.374 2.975 17812 1354 1 4 . 1 1 357 357 CYS CB C 357 31.087 31.087 25.861 5.226 17812 1355 1 4 . 1 1 357 357 CYS H H 357 7.603 7.603 7.297 0.306 17812 1356 1 4 . 1 1 358 358 LEU N N 358 119.134 119.134 121.131 -1.997 17812 1357 1 4 . 1 1 358 358 LEU HA H 358 4.040 4.040 4.252 -0.212 17812 1358 1 4 . 1 1 358 358 LEU CA C 358 55.465 55.465 55.103 0.362 17812 1359 1 4 . 1 1 358 358 LEU CB C 358 44.020 44.020 42.094 1.926 17812 1360 1 4 . 1 1 358 358 LEU H H 358 6.387 6.387 7.364 -0.977 17812 1361 1 4 . 1 1 359 359 ASP N N 359 117.020 117.020 121.653 -4.633 17812 1362 1 4 . 1 1 359 359 ASP HA H 359 4.985 4.985 4.487 0.498 17812 1363 1 4 . 1 1 359 359 ASP CA C 359 50.354 50.354 56.364 -6.010 17812 1364 1 4 . 1 1 359 359 ASP CB C 359 43.465 43.465 39.520 3.945 17812 1365 1 4 . 1 1 359 359 ASP H H 359 8.167 8.167 8.451 -0.284 17812 1366 1 4 . 1 1 360 360 PRO HA H 360 5.202 5.202 4.515 0.687 17812 1367 1 4 . 1 1 360 360 PRO CA C 360 62.131 62.131 62.195 -0.064 17812 1368 1 4 . 1 1 360 360 PRO CB C 360 33.173 33.173 31.452 1.721 17812 1369 1 4 . 1 1 361 361 PRO HA H 361 4.462 4.462 4.545 -0.083 17812 1370 1 4 . 1 1 361 361 PRO C C 361 177.733 177.733 176.779 0.954 17812 1371 1 4 . 1 1 361 361 PRO CA C 361 63.068 63.068 61.943 1.125 17812 1372 1 4 . 1 1 361 361 PRO CB C 361 32.301 32.301 32.940 -0.638 17812 1373 1 4 . 1 1 362 362 LEU N N 362 121.043 121.043 120.981 0.062 17812 1374 1 4 . 1 1 362 362 LEU HA H 362 4.761 4.761 4.458 0.303 17812 1375 1 4 . 1 1 362 362 LEU C C 362 177.392 177.392 178.052 -0.660 17812 1376 1 4 . 1 1 362 362 LEU CA C 362 53.621 53.621 54.433 -0.812 17812 1377 1 4 . 1 1 362 362 LEU CB C 362 43.759 43.759 42.447 1.312 17812 1378 1 4 . 1 1 362 362 LEU H H 362 7.798 7.798 8.028 -0.230 17812 1379 1 4 . 1 1 363 363 SER N N 363 115.324 115.324 116.925 -1.601 17812 1380 1 4 . 1 1 363 363 SER HA H 363 4.377 4.377 4.332 0.045 17812 1381 1 4 . 1 1 363 363 SER C C 363 174.070 174.070 174.962 -0.892 17812 1382 1 4 . 1 1 363 363 SER CA C 363 59.341 59.341 59.869 -0.528 17812 1383 1 4 . 1 1 363 363 SER CB C 363 63.871 63.871 63.691 0.180 17812 1384 1 4 . 1 1 363 363 SER H H 363 8.899 8.899 8.540 0.358 17812 1385 1 4 . 1 1 364 364 SER N N 364 112.898 112.898 113.842 -0.944 17812 1386 1 4 . 1 1 364 364 SER HA H 364 4.451 4.451 4.670 -0.219 17812 1387 1 4 . 1 1 364 364 SER C C 364 173.066 173.066 172.464 0.602 17812 1388 1 4 . 1 1 364 364 SER CA C 364 56.852 56.852 57.796 -0.944 17812 1389 1 4 . 1 1 364 364 SER CB C 364 65.197 65.197 64.201 0.996 17812 1390 1 4 . 1 1 364 364 SER H H 364 7.460 7.460 7.710 -0.250 17812 1391 1 4 . 1 1 365 365 VAL N N 365 123.433 123.433 125.703 -2.270 17812 1392 1 4 . 1 1 365 365 VAL HA H 365 3.820 3.820 4.385 -0.565 17812 1393 1 4 . 1 1 365 365 VAL CA C 365 61.613 61.613 59.903 1.710 17812 1394 1 4 . 1 1 365 365 VAL CB C 365 32.428 32.428 32.402 0.026 17812 1395 1 4 . 1 1 365 365 VAL H H 365 8.695 8.695 8.304 0.391 17812 1396 1 4 . 1 1 366 366 PRO HA H 366 4.457 4.457 4.614 -0.157 17812 1397 1 4 . 1 1 366 366 PRO C C 366 175.679 175.679 176.548 -0.869 17812 1398 1 4 . 1 1 366 366 PRO CA C 366 63.224 63.224 62.814 0.410 17812 1399 1 4 . 1 1 366 366 PRO CB C 366 32.526 32.526 32.666 -0.140 17812 1400 1 4 . 1 1 367 367 SER N N 367 116.079 116.079 118.689 -2.610 17812 1401 1 4 . 1 1 367 367 SER HA H 367 4.456 4.456 4.376 0.080 17812 1402 1 4 . 1 1 367 367 SER C C 367 174.796 174.796 175.760 -0.964 17812 1403 1 4 . 1 1 367 367 SER CA C 367 58.855 58.855 59.449 -0.594 17812 1404 1 4 . 1 1 367 367 SER CB C 367 64.091 64.091 63.760 0.331 17812 1405 1 4 . 1 1 367 367 SER H H 367 8.648 8.648 8.533 0.115 17812 1406 1 4 . 1 1 368 368 GLU N N 368 122.642 122.642 120.349 2.293 17812 1407 1 4 . 1 1 368 368 GLU HA H 368 4.275 4.275 4.202 0.073 17812 1408 1 4 . 1 1 368 368 GLU CA C 368 57.631 57.631 57.700 -0.069 17812 1409 1 4 . 1 1 368 368 GLU CB C 368 30.124 30.124 30.043 0.081 17812 1410 1 4 . 1 1 368 368 GLU H H 368 8.629 8.629 8.631 -0.002 17812 1411 1 4 . 1 1 369 369 ASP N N 369 120.686 120.686 119.968 0.718 17812 1412 1 4 . 1 1 369 369 ASP HA H 369 4.332 4.332 4.766 -0.434 17812 1413 1 4 . 1 1 369 369 ASP CA C 369 57.181 57.181 53.932 3.249 17812 1414 1 4 . 1 1 369 369 ASP CB C 369 41.404 41.404 41.531 -0.126 17812 1415 1 4 . 1 1 369 369 ASP H H 369 8.614 8.614 8.064 0.550 17812 1416 1 4 . 1 1 370 370 GLU N N 370 115.631 115.631 120.127 -4.496 17812 1417 1 4 . 1 1 370 370 GLU HA H 370 4.861 4.861 4.502 0.359 17812 1418 1 4 . 1 1 370 370 GLU C C 370 175.047 175.047 175.739 -0.692 17812 1419 1 4 . 1 1 370 370 GLU CA C 370 54.687 54.687 55.125 -0.438 17812 1420 1 4 . 1 1 370 370 GLU CB C 370 32.837 32.837 31.140 1.697 17812 1421 1 4 . 1 1 370 370 GLU H H 370 7.823 7.823 8.454 -0.631 17812 1422 1 4 . 1 1 371 371 TRP N N 371 124.056 124.056 124.298 -0.242 17812 1423 1 4 . 1 1 371 371 TRP HA H 371 4.311 4.311 4.690 -0.379 17812 1424 1 4 . 1 1 371 371 TRP C C 371 171.586 171.586 173.604 -2.018 17812 1425 1 4 . 1 1 371 371 TRP CA C 371 59.845 59.845 56.320 3.525 17812 1426 1 4 . 1 1 371 371 TRP CB C 371 31.317 31.317 30.500 0.817 17812 1427 1 4 . 1 1 371 371 TRP H H 371 9.205 9.205 8.324 0.881 17812 1428 1 4 . 1 1 372 372 TYR N N 372 122.933 122.933 122.812 0.121 17812 1429 1 4 . 1 1 372 372 TYR HA H 372 5.217 5.217 4.101 1.116 17812 1430 1 4 . 1 1 372 372 TYR C C 372 173.821 173.821 174.858 -1.037 17812 1431 1 4 . 1 1 372 372 TYR CA C 372 54.963 54.963 55.869 -0.906 17812 1432 1 4 . 1 1 372 372 TYR CB C 372 41.593 41.593 40.167 1.426 17812 1433 1 4 . 1 1 372 372 TYR H H 372 6.907 6.907 7.737 -0.830 17812 1434 1 4 . 1 1 373 373 CYS N N 373 127.647 127.647 122.079 5.568 17812 1435 1 4 . 1 1 373 373 CYS HA H 373 3.530 3.530 3.641 -0.111 17812 1436 1 4 . 1 1 373 373 CYS CA C 373 57.539 57.539 55.796 1.743 17812 1437 1 4 . 1 1 373 373 CYS CB C 373 30.549 30.549 26.607 3.942 17812 1438 1 4 . 1 1 373 373 CYS H H 373 9.310 9.310 8.118 1.192 17812 1439 1 4 . 1 1 374 374 PRO HA H 374 3.987 3.987 3.998 -0.011 17812 1440 1 4 . 1 1 374 374 PRO C C 374 178.008 178.008 178.787 -0.779 17812 1441 1 4 . 1 1 374 374 PRO CA C 374 65.504 65.504 65.523 -0.019 17812 1442 1 4 . 1 1 374 374 PRO CB C 374 32.293 32.293 31.847 0.446 17812 1443 1 4 . 1 1 375 375 GLU N N 375 116.759 116.759 118.165 -1.406 17812 1444 1 4 . 1 1 375 375 GLU HA H 375 4.237 4.237 4.161 0.076 17812 1445 1 4 . 1 1 375 375 GLU C C 375 177.054 177.054 178.351 -1.297 17812 1446 1 4 . 1 1 375 375 GLU CA C 375 58.479 58.479 59.256 -0.777 17812 1447 1 4 . 1 1 375 375 GLU CB C 375 30.939 30.939 29.643 1.296 17812 1448 1 4 . 1 1 375 375 GLU H H 375 8.111 8.111 8.901 -0.790 17812 1449 1 4 . 1 1 376 376 CYS N N 376 122.642 122.642 115.618 7.024 17812 1450 1 4 . 1 1 376 376 CYS HA H 376 4.055 4.055 4.425 -0.370 17812 1451 1 4 . 1 1 376 376 CYS CA C 376 62.498 62.498 59.296 3.202 17812 1452 1 4 . 1 1 376 376 CYS CB C 376 31.379 31.379 26.078 5.301 17812 1453 1 4 . 1 1 376 376 CYS H H 376 8.075 8.075 7.739 0.336 17812 1454 1 4 . 1 1 377 377 ARG N N 377 117.680 117.680 122.049 -4.369 17812 1455 1 4 . 1 1 377 377 ARG HA H 377 3.948 3.948 4.045 -0.097 17812 1456 1 4 . 1 1 377 377 ARG C C 377 56.425 56.425 177.517 -121.092 17812 1457 1 4 . 1 1 377 377 ARG CB C 377 30.678 30.678 29.561 1.117 17812 1458 1 4 . 1 1 377 377 ARG H H 377 7.856 7.856 7.833 0.023 17812 1459 1 4 . 1 1 378 378 ASN N N 378 119.726 119.726 116.160 3.566 17812 1460 1 4 . 1 1 378 378 ASN HA H 378 4.695 4.695 4.681 0.015 17812 1461 1 4 . 1 1 378 378 ASN C C 378 173.554 173.554 175.130 -1.576 17812 1462 1 4 . 1 1 378 378 ASN CA C 378 53.204 53.204 52.265 0.939 17812 1463 1 4 . 1 1 378 378 ASN CB C 378 39.516 39.516 37.724 1.792 17812 1464 1 4 . 1 1 378 378 ASN H H 378 8.189 8.189 7.730 0.459 17812 1465 1 5 . 1 1 312 312 GLY N N 312 110.352 110.352 113.040 -2.688 17812 1466 1 5 . 1 1 312 312 GLY CA C 312 44.546 44.546 44.444 0.102 17812 1467 1 5 . 1 1 312 312 GLY H H 312 7.809 7.809 8.486 -0.677 17812 1468 1 5 . 1 1 313 313 PRO HA H 313 4.433 4.433 4.425 0.008 17812 1469 1 5 . 1 1 313 313 PRO CA C 313 62.527 62.527 62.495 0.032 17812 1470 1 5 . 1 1 313 313 PRO CB C 313 31.680 31.680 32.642 -0.962 17812 1471 1 5 . 1 1 314 314 SER N N 314 120.711 120.711 114.859 5.852 17812 1472 1 5 . 1 1 314 314 SER HA H 314 4.331 4.331 4.233 0.098 17812 1473 1 5 . 1 1 314 314 SER C C 314 174.789 174.789 174.443 0.346 17812 1474 1 5 . 1 1 314 314 SER CA C 314 60.627 60.627 60.074 0.553 17812 1475 1 5 . 1 1 314 314 SER CB C 314 63.925 63.925 63.391 0.534 17812 1476 1 5 . 1 1 314 314 SER H H 314 10.435 10.435 8.378 2.057 17812 1477 1 5 . 1 1 315 315 CYS N N 315 125.240 125.240 120.515 4.725 17812 1478 1 5 . 1 1 315 315 CYS HA H 315 4.698 4.698 4.596 0.102 17812 1479 1 5 . 1 1 315 315 CYS C C 315 176.852 176.852 174.800 2.052 17812 1480 1 5 . 1 1 315 315 CYS CA C 315 58.281 58.281 58.248 0.033 17812 1481 1 5 . 1 1 315 315 CYS CB C 315 32.487 32.487 27.624 4.863 17812 1482 1 5 . 1 1 315 315 CYS H H 315 9.159 9.159 7.949 1.210 17812 1483 1 5 . 1 1 316 316 LYS N N 316 127.250 127.250 126.421 0.829 17812 1484 1 5 . 1 1 316 316 LYS HA H 316 4.005 4.005 4.262 -0.257 17812 1485 1 5 . 1 1 316 316 LYS C C 316 176.341 176.341 176.695 -0.354 17812 1486 1 5 . 1 1 316 316 LYS CA C 316 58.026 58.026 57.221 0.805 17812 1487 1 5 . 1 1 316 316 LYS CB C 316 32.116 32.116 32.393 -0.277 17812 1488 1 5 . 1 1 316 316 LYS H H 316 8.951 8.951 8.692 0.259 17812 1489 1 5 . 1 1 317 317 HIS N N 317 121.622 121.622 117.897 3.725 17812 1490 1 5 . 1 1 317 317 HIS HA H 317 4.367 4.367 4.678 -0.311 17812 1491 1 5 . 1 1 317 317 HIS C C 317 176.348 176.348 176.589 -0.241 17812 1492 1 5 . 1 1 317 317 HIS CA C 317 59.351 59.351 58.518 0.833 17812 1493 1 5 . 1 1 317 317 HIS CB C 317 31.034 31.034 29.606 1.428 17812 1494 1 5 . 1 1 317 317 HIS H H 317 8.882 8.882 7.901 0.981 17812 1495 1 5 . 1 1 318 318 CYS N N 318 115.222 115.222 117.941 -2.719 17812 1496 1 5 . 1 1 318 318 CYS HA H 318 4.839 4.839 4.550 0.289 17812 1497 1 5 . 1 1 318 318 CYS C C 318 176.909 176.909 176.006 0.903 17812 1498 1 5 . 1 1 318 318 CYS CA C 318 58.040 58.040 62.202 -4.162 17812 1499 1 5 . 1 1 318 318 CYS CB C 318 31.925 31.925 26.550 5.375 17812 1500 1 5 . 1 1 318 318 CYS H H 318 8.081 8.081 7.774 0.307 17812 1501 1 5 . 1 1 319 319 LYS N N 319 119.827 119.827 118.757 1.070 17812 1502 1 5 . 1 1 319 319 LYS HA H 319 3.886 3.886 4.070 -0.184 17812 1503 1 5 . 1 1 319 319 LYS C C 319 174.670 174.670 178.582 -3.912 17812 1504 1 5 . 1 1 319 319 LYS CA C 319 57.728 57.728 59.125 -1.397 17812 1505 1 5 . 1 1 319 319 LYS CB C 319 28.902 28.902 32.433 -3.531 17812 1506 1 5 . 1 1 319 319 LYS H H 319 7.895 7.895 8.085 -0.190 17812 1507 1 5 . 1 1 320 320 ASP N N 320 117.610 117.610 119.114 -1.504 17812 1508 1 5 . 1 1 320 320 ASP HA H 320 4.206 4.206 4.436 -0.230 17812 1509 1 5 . 1 1 320 320 ASP C C 320 174.861 174.861 176.225 -1.364 17812 1510 1 5 . 1 1 320 320 ASP CA C 320 54.551 54.551 56.606 -2.055 17812 1511 1 5 . 1 1 320 320 ASP CB C 320 38.354 38.354 40.827 -2.473 17812 1512 1 5 . 1 1 320 320 ASP H H 320 8.873 8.873 8.180 0.693 17812 1513 1 5 . 1 1 321 321 ASP N N 321 118.813 118.813 114.042 4.771 17812 1514 1 5 . 1 1 321 321 ASP HA H 321 4.595 4.595 4.680 -0.085 17812 1515 1 5 . 1 1 321 321 ASP C C 321 176.386 176.386 175.906 0.480 17812 1516 1 5 . 1 1 321 321 ASP CA C 321 53.781 53.781 52.643 1.138 17812 1517 1 5 . 1 1 321 321 ASP CB C 321 40.782 40.782 39.488 1.294 17812 1518 1 5 . 1 1 321 321 ASP H H 321 7.212 7.212 7.323 -0.111 17812 1519 1 5 . 1 1 322 322 VAL N N 322 122.228 122.228 121.884 0.344 17812 1520 1 5 . 1 1 322 322 VAL HA H 322 3.866 3.866 3.696 0.170 17812 1521 1 5 . 1 1 322 322 VAL CA C 322 63.885 63.885 64.255 -0.370 17812 1522 1 5 . 1 1 322 322 VAL CB C 322 31.385 31.385 32.039 -0.654 17812 1523 1 5 . 1 1 322 322 VAL H H 322 8.060 8.060 7.903 0.157 17812 1524 1 5 . 1 1 323 323 ASN N N 323 117.787 117.787 115.349 2.438 17812 1525 1 5 . 1 1 323 323 ASN HA H 323 4.710 4.710 4.539 0.171 17812 1526 1 5 . 1 1 323 323 ASN CA C 323 54.065 54.065 54.680 -0.615 17812 1527 1 5 . 1 1 323 323 ASN CB C 323 38.876 38.876 38.240 0.636 17812 1528 1 5 . 1 1 323 323 ASN H H 323 8.486 8.486 8.452 0.034 17812 1529 1 5 . 1 1 324 324 ARG N N 324 120.106 120.106 120.106 0.000 17812 1530 1 5 . 1 1 324 324 ARG HA H 324 4.632 4.632 4.306 0.326 17812 1531 1 5 . 1 1 324 324 ARG C C 324 175.881 175.881 175.209 0.672 17812 1532 1 5 . 1 1 324 324 ARG CA C 324 54.488 54.488 55.669 -1.181 17812 1533 1 5 . 1 1 324 324 ARG CB C 324 32.709 32.709 31.238 1.470 17812 1534 1 5 . 1 1 324 324 ARG H H 324 7.955 7.955 7.736 0.219 17812 1535 1 5 . 1 1 325 325 LEU N N 325 123.983 123.983 121.800 2.183 17812 1536 1 5 . 1 1 325 325 LEU HA H 325 4.422 4.422 4.458 -0.036 17812 1537 1 5 . 1 1 325 325 LEU C C 325 177.647 177.647 176.812 0.835 17812 1538 1 5 . 1 1 325 325 LEU CA C 325 54.910 54.910 55.004 -0.094 17812 1539 1 5 . 1 1 325 325 LEU CB C 325 42.720 42.720 42.984 -0.264 17812 1540 1 5 . 1 1 325 325 LEU H H 325 8.423 8.423 8.160 0.263 17812 1541 1 5 . 1 1 326 326 CYS N N 326 123.693 123.693 125.430 -1.737 17812 1542 1 5 . 1 1 326 326 CYS HA H 326 4.474 4.474 4.790 -0.316 17812 1543 1 5 . 1 1 326 326 CYS C C 326 174.472 174.472 175.165 -0.693 17812 1544 1 5 . 1 1 326 326 CYS CA C 326 60.503 60.503 57.671 2.832 17812 1545 1 5 . 1 1 326 326 CYS CB C 326 32.551 32.551 29.832 2.719 17812 1546 1 5 . 1 1 326 326 CYS H H 326 9.277 9.277 8.662 0.615 17812 1547 1 5 . 1 1 327 327 ARG N N 327 126.881 126.881 124.188 2.693 17812 1548 1 5 . 1 1 327 327 ARG HA H 327 4.579 4.579 4.470 0.109 17812 1549 1 5 . 1 1 327 327 ARG C C 327 175.128 175.128 177.224 -2.096 17812 1550 1 5 . 1 1 327 327 ARG CA C 327 56.522 56.522 56.767 -0.245 17812 1551 1 5 . 1 1 327 327 ARG CB C 327 29.116 29.116 30.427 -1.311 17812 1552 1 5 . 1 1 327 327 ARG H H 327 8.880 8.880 8.644 0.236 17812 1553 1 5 . 1 1 328 328 VAL N N 328 123.112 123.112 120.797 2.315 17812 1554 1 5 . 1 1 328 328 VAL HA H 328 4.139 4.139 3.808 0.331 17812 1555 1 5 . 1 1 328 328 VAL C C 328 176.618 176.618 176.651 -0.033 17812 1556 1 5 . 1 1 328 328 VAL CA C 328 65.790 65.790 65.397 0.393 17812 1557 1 5 . 1 1 328 328 VAL CB C 328 32.296 32.296 32.397 -0.101 17812 1558 1 5 . 1 1 328 328 VAL H H 328 9.058 9.058 7.636 1.422 17812 1559 1 5 . 1 1 329 329 CYS N N 329 117.822 117.822 117.713 0.109 17812 1560 1 5 . 1 1 329 329 CYS HA H 329 4.975 4.975 4.953 0.022 17812 1561 1 5 . 1 1 329 329 CYS C C 329 174.466 174.466 173.289 1.177 17812 1562 1 5 . 1 1 329 329 CYS CA C 329 58.446 58.446 56.178 2.268 17812 1563 1 5 . 1 1 329 329 CYS CB C 329 31.850 31.850 25.768 6.082 17812 1564 1 5 . 1 1 329 329 CYS H H 329 8.372 8.372 7.611 0.761 17812 1565 1 5 . 1 1 330 330 ALA N N 330 130.671 130.671 124.059 6.612 17812 1566 1 5 . 1 1 330 330 ALA HA H 330 4.575 4.575 4.533 0.042 17812 1567 1 5 . 1 1 330 330 ALA C C 330 175.000 175.000 175.340 -0.340 17812 1568 1 5 . 1 1 330 330 ALA CA C 330 50.393 50.393 51.271 -0.878 17812 1569 1 5 . 1 1 330 330 ALA CB C 330 19.244 19.244 20.922 -1.679 17812 1570 1 5 . 1 1 330 330 ALA H H 330 7.030 7.030 7.700 -0.670 17812 1571 1 5 . 1 1 331 331 CYS N N 331 118.585 118.585 120.954 -2.369 17812 1572 1 5 . 1 1 331 331 CYS HA H 331 3.587 3.587 4.580 -0.993 17812 1573 1 5 . 1 1 331 331 CYS C C 331 177.953 177.953 175.632 2.321 17812 1574 1 5 . 1 1 331 331 CYS CA C 331 60.241 60.241 59.229 1.012 17812 1575 1 5 . 1 1 331 331 CYS CB C 331 30.524 30.524 27.088 3.436 17812 1576 1 5 . 1 1 331 331 CYS H H 331 7.081 7.081 8.872 -1.791 17812 1577 1 5 . 1 1 332 332 HIS N N 332 127.546 127.546 127.553 -0.007 17812 1578 1 5 . 1 1 332 332 HIS HA H 332 4.752 4.752 4.199 0.553 17812 1579 1 5 . 1 1 332 332 HIS C C 332 174.236 174.236 176.309 -2.073 17812 1580 1 5 . 1 1 332 332 HIS CA C 332 56.287 56.287 58.692 -2.405 17812 1581 1 5 . 1 1 332 332 HIS CB C 332 28.769 28.769 30.002 -1.233 17812 1582 1 5 . 1 1 332 332 HIS H H 332 9.757 9.757 8.851 0.906 17812 1583 1 5 . 1 1 333 333 LEU N N 333 118.061 118.061 116.747 1.314 17812 1584 1 5 . 1 1 333 333 LEU HA H 333 4.580 4.580 3.803 0.777 17812 1585 1 5 . 1 1 333 333 LEU C C 333 177.564 177.564 176.808 0.756 17812 1586 1 5 . 1 1 333 333 LEU CA C 333 56.046 56.046 56.069 -0.023 17812 1587 1 5 . 1 1 333 333 LEU CB C 333 42.986 42.986 42.369 0.617 17812 1588 1 5 . 1 1 333 333 LEU H H 333 8.773 8.773 7.752 1.021 17812 1589 1 5 . 1 1 334 334 CYS N N 334 118.393 118.393 114.991 3.402 17812 1590 1 5 . 1 1 334 334 CYS HA H 334 5.084 5.084 4.699 0.385 17812 1591 1 5 . 1 1 334 334 CYS C C 334 176.736 176.736 175.717 1.019 17812 1592 1 5 . 1 1 334 334 CYS CA C 334 58.973 58.973 57.004 1.969 17812 1593 1 5 . 1 1 334 334 CYS CB C 334 32.481 32.481 29.011 3.470 17812 1594 1 5 . 1 1 334 334 CYS H H 334 8.310 8.310 7.711 0.599 17812 1595 1 5 . 1 1 335 335 GLY N N 335 115.992 115.992 110.172 5.820 17812 1596 1 5 . 1 1 335 335 GLY C C 335 172.059 172.059 175.220 -3.161 17812 1597 1 5 . 1 1 335 335 GLY CA C 335 45.652 45.652 46.535 -0.883 17812 1598 1 5 . 1 1 335 335 GLY H H 335 8.596 8.596 8.768 -0.172 17812 1599 1 5 . 1 1 336 336 GLY N N 336 111.360 111.360 107.844 3.516 17812 1600 1 5 . 1 1 336 336 GLY C C 336 174.101 174.101 174.169 -0.068 17812 1601 1 5 . 1 1 336 336 GLY CA C 336 44.987 44.987 44.960 0.027 17812 1602 1 5 . 1 1 336 336 GLY H H 336 9.594 9.594 7.872 1.722 17812 1603 1 5 . 1 1 337 337 ARG N N 337 118.859 118.859 122.522 -3.663 17812 1604 1 5 . 1 1 337 337 ARG HA H 337 4.413 4.413 4.535 -0.122 17812 1605 1 5 . 1 1 337 337 ARG C C 337 177.635 177.635 175.130 2.505 17812 1606 1 5 . 1 1 337 337 ARG CA C 337 55.364 55.364 55.249 0.115 17812 1607 1 5 . 1 1 337 337 ARG CB C 337 31.337 31.337 30.428 0.909 17812 1608 1 5 . 1 1 337 337 ARG H H 337 8.827 8.827 8.504 0.323 17812 1609 1 5 . 1 1 338 338 GLN N N 338 120.950 120.950 121.284 -0.334 17812 1610 1 5 . 1 1 338 338 GLN HA H 338 4.376 4.376 4.467 -0.091 17812 1611 1 5 . 1 1 338 338 GLN C C 338 176.420 176.420 175.002 1.418 17812 1612 1 5 . 1 1 338 338 GLN CA C 338 55.694 55.694 55.326 0.368 17812 1613 1 5 . 1 1 338 338 GLN CB C 338 28.096 28.096 30.489 -2.393 17812 1614 1 5 . 1 1 338 338 GLN H H 338 9.568 9.568 8.461 1.107 17812 1615 1 5 . 1 1 339 339 ASP N N 339 117.880 117.880 122.125 -4.245 17812 1616 1 5 . 1 1 339 339 ASP HA H 339 4.625 4.625 4.408 0.217 17812 1617 1 5 . 1 1 339 339 ASP CA C 339 55.283 55.283 54.383 0.901 17812 1618 1 5 . 1 1 339 339 ASP CB C 339 41.092 41.092 39.460 1.632 17812 1619 1 5 . 1 1 339 339 ASP H H 339 9.681 9.681 8.847 0.834 17812 1620 1 5 . 1 1 340 340 PRO HA H 340 4.140 4.140 3.973 0.167 17812 1621 1 5 . 1 1 340 340 PRO C C 340 177.463 177.463 177.854 -0.391 17812 1622 1 5 . 1 1 340 340 PRO CA C 340 65.883 65.883 64.851 1.032 17812 1623 1 5 . 1 1 340 340 PRO CB C 340 30.045 30.045 31.746 -1.701 17812 1624 1 5 . 1 1 341 341 ASP N N 341 115.117 115.117 115.623 -0.506 17812 1625 1 5 . 1 1 341 341 ASP HA H 341 4.642 4.642 4.429 0.213 17812 1626 1 5 . 1 1 341 341 ASP C C 341 175.663 175.663 176.927 -1.264 17812 1627 1 5 . 1 1 341 341 ASP CA C 341 54.735 54.735 55.442 -0.707 17812 1628 1 5 . 1 1 341 341 ASP CB C 341 39.135 39.135 39.706 -0.571 17812 1629 1 5 . 1 1 341 341 ASP H H 341 9.176 9.176 8.627 0.549 17812 1630 1 5 . 1 1 342 342 LYS N N 342 117.582 117.582 117.319 0.263 17812 1631 1 5 . 1 1 342 342 LYS HA H 342 4.351 4.351 4.331 0.020 17812 1632 1 5 . 1 1 342 342 LYS CA C 342 54.496 54.496 55.905 -1.409 17812 1633 1 5 . 1 1 342 342 LYS CB C 342 33.968 33.968 32.653 1.315 17812 1634 1 5 . 1 1 342 342 LYS H H 342 8.056 8.056 7.444 0.612 17812 1635 1 5 . 1 1 343 343 GLN N N 343 119.535 119.535 118.369 1.166 17812 1636 1 5 . 1 1 343 343 GLN HA H 343 4.510 4.510 3.991 0.519 17812 1637 1 5 . 1 1 343 343 GLN C C 343 175.176 175.176 175.057 0.119 17812 1638 1 5 . 1 1 343 343 GLN CA C 343 54.652 54.652 55.580 -0.928 17812 1639 1 5 . 1 1 343 343 GLN CB C 343 29.270 29.270 29.162 0.108 17812 1640 1 5 . 1 1 343 343 GLN H H 343 7.174 7.174 7.023 0.151 17812 1641 1 5 . 1 1 344 344 LEU N N 344 124.836 124.836 125.585 -0.749 17812 1642 1 5 . 1 1 344 344 LEU HA H 344 4.307 4.307 4.692 -0.385 17812 1643 1 5 . 1 1 344 344 LEU CA C 344 53.564 53.564 54.165 -0.601 17812 1644 1 5 . 1 1 344 344 LEU CB C 344 44.381 44.381 44.546 -0.165 17812 1645 1 5 . 1 1 344 344 LEU H H 344 8.215 8.215 8.737 -0.522 17812 1646 1 5 . 1 1 345 345 MET N N 345 119.349 119.349 125.541 -6.192 17812 1647 1 5 . 1 1 345 345 MET HA H 345 5.433 5.433 5.300 0.133 17812 1648 1 5 . 1 1 345 345 MET C C 345 175.462 175.462 175.312 0.150 17812 1649 1 5 . 1 1 345 345 MET CA C 345 52.877 52.877 54.325 -1.448 17812 1650 1 5 . 1 1 345 345 MET CB C 345 32.312 32.312 34.950 -2.638 17812 1651 1 5 . 1 1 345 345 MET H H 345 8.086 8.086 8.412 -0.326 17812 1652 1 5 . 1 1 346 346 CYS N N 346 124.792 124.792 127.617 -2.825 17812 1653 1 5 . 1 1 346 346 CYS HA H 346 4.751 4.751 4.968 -0.217 17812 1654 1 5 . 1 1 346 346 CYS C C 346 177.998 177.998 175.518 2.480 17812 1655 1 5 . 1 1 346 346 CYS CA C 346 60.088 60.088 57.555 2.533 17812 1656 1 5 . 1 1 346 346 CYS CB C 346 32.345 32.345 30.148 2.197 17812 1657 1 5 . 1 1 346 346 CYS H H 346 9.088 9.088 8.827 0.261 17812 1658 1 5 . 1 1 347 347 ASP N N 347 129.440 129.440 125.892 3.548 17812 1659 1 5 . 1 1 347 347 ASP HA H 347 4.624 4.624 4.825 -0.201 17812 1660 1 5 . 1 1 347 347 ASP C C 347 174.755 174.755 177.512 -2.757 17812 1661 1 5 . 1 1 347 347 ASP CA C 347 57.932 57.932 56.514 1.418 17812 1662 1 5 . 1 1 347 347 ASP CB C 347 41.115 41.115 40.809 0.306 17812 1663 1 5 . 1 1 347 347 ASP H H 347 9.154 9.154 8.881 0.273 17812 1664 1 5 . 1 1 348 348 GLU N N 348 124.253 124.253 117.765 6.488 17812 1665 1 5 . 1 1 348 348 GLU HA H 348 4.895 4.895 4.180 0.715 17812 1666 1 5 . 1 1 348 348 GLU C C 348 176.439 176.439 177.742 -1.303 17812 1667 1 5 . 1 1 348 348 GLU CA C 348 58.673 58.673 58.111 0.562 17812 1668 1 5 . 1 1 348 348 GLU CB C 348 30.510 30.510 29.812 0.698 17812 1669 1 5 . 1 1 348 348 GLU H H 348 9.615 9.615 8.286 1.329 17812 1670 1 5 . 1 1 349 349 CYS N N 349 119.153 119.153 113.667 5.486 17812 1671 1 5 . 1 1 349 349 CYS HA H 349 4.778 4.778 4.643 0.135 17812 1672 1 5 . 1 1 349 349 CYS CA C 349 60.216 60.216 56.734 3.482 17812 1673 1 5 . 1 1 349 349 CYS CB C 349 32.008 32.008 28.843 3.165 17812 1674 1 5 . 1 1 349 349 CYS H H 349 8.522 8.522 7.646 0.876 17812 1675 1 5 . 1 1 350 350 ASP N N 350 115.218 115.218 121.488 -6.270 17812 1676 1 5 . 1 1 350 350 ASP HA H 350 4.492 4.492 4.433 0.059 17812 1677 1 5 . 1 1 350 350 ASP CA C 350 55.086 55.086 55.776 -0.690 17812 1678 1 5 . 1 1 350 350 ASP CB C 350 41.386 41.386 38.427 2.959 17812 1679 1 5 . 1 1 350 350 ASP H H 350 7.813 7.813 8.737 -0.924 17812 1680 1 5 . 1 1 351 351 MET N N 351 117.029 117.029 116.537 0.492 17812 1681 1 5 . 1 1 351 351 MET HA H 351 4.520 4.520 4.805 -0.285 17812 1682 1 5 . 1 1 351 351 MET C C 351 173.497 173.497 174.860 -1.363 17812 1683 1 5 . 1 1 351 351 MET CA C 351 54.706 54.706 54.488 0.218 17812 1684 1 5 . 1 1 351 351 MET CB C 351 34.605 34.605 37.212 -2.607 17812 1685 1 5 . 1 1 351 351 MET H H 351 8.162 8.162 7.579 0.583 17812 1686 1 5 . 1 1 352 352 ALA N N 352 123.068 123.068 122.602 0.466 17812 1687 1 5 . 1 1 352 352 ALA HA H 352 5.528 5.528 5.495 0.033 17812 1688 1 5 . 1 1 352 352 ALA C C 352 177.545 177.545 176.655 0.890 17812 1689 1 5 . 1 1 352 352 ALA CA C 352 49.943 49.943 51.085 -1.142 17812 1690 1 5 . 1 1 352 352 ALA CB C 352 22.111 22.111 20.671 1.440 17812 1691 1 5 . 1 1 352 352 ALA H H 352 8.499 8.499 8.807 -0.308 17812 1692 1 5 . 1 1 353 353 PHE N N 353 116.057 116.057 118.683 -2.626 17812 1693 1 5 . 1 1 353 353 PHE HA H 353 5.106 5.106 4.927 0.179 17812 1694 1 5 . 1 1 353 353 PHE C C 353 176.868 176.868 176.585 0.283 17812 1695 1 5 . 1 1 353 353 PHE CA C 353 56.416 56.416 57.105 -0.689 17812 1696 1 5 . 1 1 353 353 PHE CB C 353 43.111 43.111 43.574 -0.463 17812 1697 1 5 . 1 1 353 353 PHE H H 353 9.164 9.164 8.249 0.915 17812 1698 1 5 . 1 1 354 354 HIS N N 354 124.053 124.053 121.646 2.407 17812 1699 1 5 . 1 1 354 354 HIS HA H 354 4.650 4.650 4.157 0.493 17812 1700 1 5 . 1 1 354 354 HIS C C 354 180.505 180.505 176.969 3.536 17812 1701 1 5 . 1 1 354 354 HIS CA C 354 58.931 58.931 57.426 1.505 17812 1702 1 5 . 1 1 354 354 HIS CB C 354 31.235 31.235 29.397 1.838 17812 1703 1 5 . 1 1 354 354 HIS H H 354 9.388 9.388 8.927 0.461 17812 1704 1 5 . 1 1 355 355 ILE N N 355 115.081 115.081 116.984 -1.903 17812 1705 1 5 . 1 1 355 355 ILE HA H 355 3.928 3.928 3.620 0.308 17812 1706 1 5 . 1 1 355 355 ILE C C 355 175.451 175.451 175.981 -0.530 17812 1707 1 5 . 1 1 355 355 ILE CA C 355 65.726 65.726 63.985 1.741 17812 1708 1 5 . 1 1 355 355 ILE CB C 355 36.292 36.292 36.862 -0.570 17812 1709 1 5 . 1 1 355 355 ILE H H 355 8.568 8.568 8.059 0.509 17812 1710 1 5 . 1 1 356 356 TYR N N 356 110.787 110.787 113.066 -2.279 17812 1711 1 5 . 1 1 356 356 TYR HA H 356 4.801 4.801 4.687 0.114 17812 1712 1 5 . 1 1 356 356 TYR C C 356 177.073 177.073 175.471 1.602 17812 1713 1 5 . 1 1 356 356 TYR CA C 356 55.362 55.362 57.472 -2.111 17812 1714 1 5 . 1 1 356 356 TYR CB C 356 36.767 36.767 38.983 -2.216 17812 1715 1 5 . 1 1 356 356 TYR H H 356 6.117 6.117 7.450 -1.333 17812 1716 1 5 . 1 1 357 357 CYS N N 357 121.584 121.584 117.340 4.244 17812 1717 1 5 . 1 1 357 357 CYS HA H 357 4.537 4.537 3.614 0.923 17812 1718 1 5 . 1 1 357 357 CYS C C 357 174.868 174.868 175.435 -0.567 17812 1719 1 5 . 1 1 357 357 CYS CA C 357 62.349 62.349 59.548 2.801 17812 1720 1 5 . 1 1 357 357 CYS CB C 357 31.087 31.087 25.666 5.421 17812 1721 1 5 . 1 1 357 357 CYS H H 357 7.603 7.603 7.208 0.395 17812 1722 1 5 . 1 1 358 358 LEU N N 358 119.134 119.134 120.913 -1.779 17812 1723 1 5 . 1 1 358 358 LEU HA H 358 4.040 4.040 4.231 -0.191 17812 1724 1 5 . 1 1 358 358 LEU CA C 358 55.465 55.465 55.076 0.389 17812 1725 1 5 . 1 1 358 358 LEU CB C 358 44.020 44.020 42.145 1.875 17812 1726 1 5 . 1 1 358 358 LEU H H 358 6.387 6.387 7.258 -0.871 17812 1727 1 5 . 1 1 359 359 ASP N N 359 117.020 117.020 120.969 -3.949 17812 1728 1 5 . 1 1 359 359 ASP HA H 359 4.985 4.985 4.459 0.526 17812 1729 1 5 . 1 1 359 359 ASP CA C 359 50.354 50.354 55.712 -5.358 17812 1730 1 5 . 1 1 359 359 ASP CB C 359 43.465 43.465 38.900 4.565 17812 1731 1 5 . 1 1 359 359 ASP H H 359 8.167 8.167 8.466 -0.299 17812 1732 1 5 . 1 1 360 360 PRO HA H 360 5.202 5.202 4.633 0.569 17812 1733 1 5 . 1 1 360 360 PRO CA C 360 62.131 62.131 61.859 0.272 17812 1734 1 5 . 1 1 360 360 PRO CB C 360 33.173 33.173 31.046 2.127 17812 1735 1 5 . 1 1 361 361 PRO HA H 361 4.462 4.462 4.561 -0.099 17812 1736 1 5 . 1 1 361 361 PRO C C 361 177.733 177.733 177.077 0.656 17812 1737 1 5 . 1 1 361 361 PRO CA C 361 63.068 63.068 61.867 1.201 17812 1738 1 5 . 1 1 361 361 PRO CB C 361 32.301 32.301 32.817 -0.516 17812 1739 1 5 . 1 1 362 362 LEU N N 362 121.043 121.043 120.935 0.108 17812 1740 1 5 . 1 1 362 362 LEU HA H 362 4.761 4.761 4.454 0.307 17812 1741 1 5 . 1 1 362 362 LEU C C 362 177.392 177.392 177.863 -0.471 17812 1742 1 5 . 1 1 362 362 LEU CA C 362 53.621 53.621 54.809 -1.188 17812 1743 1 5 . 1 1 362 362 LEU CB C 362 43.759 43.759 41.962 1.797 17812 1744 1 5 . 1 1 362 362 LEU H H 362 7.798 7.798 8.298 -0.500 17812 1745 1 5 . 1 1 363 363 SER N N 363 115.324 115.324 117.022 -1.698 17812 1746 1 5 . 1 1 363 363 SER HA H 363 4.377 4.377 4.331 0.046 17812 1747 1 5 . 1 1 363 363 SER C C 363 174.070 174.070 174.893 -0.823 17812 1748 1 5 . 1 1 363 363 SER CA C 363 59.341 59.341 59.915 -0.574 17812 1749 1 5 . 1 1 363 363 SER CB C 363 63.871 63.871 63.534 0.337 17812 1750 1 5 . 1 1 363 363 SER H H 363 8.899 8.899 8.707 0.192 17812 1751 1 5 . 1 1 364 364 SER N N 364 112.898 112.898 115.718 -2.820 17812 1752 1 5 . 1 1 364 364 SER HA H 364 4.451 4.451 4.626 -0.175 17812 1753 1 5 . 1 1 364 364 SER C C 364 173.066 173.066 173.186 -0.120 17812 1754 1 5 . 1 1 364 364 SER CA C 364 56.852 56.852 57.757 -0.905 17812 1755 1 5 . 1 1 364 364 SER CB C 364 65.197 65.197 64.763 0.434 17812 1756 1 5 . 1 1 364 364 SER H H 364 7.460 7.460 7.883 -0.423 17812 1757 1 5 . 1 1 365 365 VAL N N 365 123.433 123.433 123.899 -0.466 17812 1758 1 5 . 1 1 365 365 VAL HA H 365 3.820 3.820 4.414 -0.594 17812 1759 1 5 . 1 1 365 365 VAL CA C 365 61.613 61.613 58.909 2.704 17812 1760 1 5 . 1 1 365 365 VAL CB C 365 32.428 32.428 33.147 -0.719 17812 1761 1 5 . 1 1 365 365 VAL H H 365 8.695 8.695 8.142 0.553 17812 1762 1 5 . 1 1 366 366 PRO HA H 366 4.457 4.457 4.692 -0.235 17812 1763 1 5 . 1 1 366 366 PRO C C 366 175.679 175.679 176.268 -0.589 17812 1764 1 5 . 1 1 366 366 PRO CA C 366 63.224 63.224 62.915 0.309 17812 1765 1 5 . 1 1 366 366 PRO CB C 366 32.526 32.526 32.652 -0.126 17812 1766 1 5 . 1 1 367 367 SER N N 367 116.079 116.079 118.404 -2.325 17812 1767 1 5 . 1 1 367 367 SER HA H 367 4.456 4.456 4.354 0.102 17812 1768 1 5 . 1 1 367 367 SER C C 367 174.796 174.796 175.879 -1.083 17812 1769 1 5 . 1 1 367 367 SER CA C 367 58.855 58.855 59.138 -0.283 17812 1770 1 5 . 1 1 367 367 SER CB C 367 64.091 64.091 63.966 0.125 17812 1771 1 5 . 1 1 367 367 SER H H 367 8.648 8.648 8.552 0.096 17812 1772 1 5 . 1 1 368 368 GLU N N 368 122.642 122.642 120.523 2.119 17812 1773 1 5 . 1 1 368 368 GLU HA H 368 4.275 4.275 4.224 0.051 17812 1774 1 5 . 1 1 368 368 GLU CA C 368 57.631 57.631 57.453 0.178 17812 1775 1 5 . 1 1 368 368 GLU CB C 368 30.124 30.124 29.794 0.330 17812 1776 1 5 . 1 1 368 368 GLU H H 368 8.629 8.629 8.600 0.029 17812 1777 1 5 . 1 1 369 369 ASP N N 369 120.686 120.686 119.956 0.730 17812 1778 1 5 . 1 1 369 369 ASP HA H 369 4.332 4.332 4.719 -0.387 17812 1779 1 5 . 1 1 369 369 ASP CA C 369 57.181 57.181 54.030 3.151 17812 1780 1 5 . 1 1 369 369 ASP CB C 369 41.404 41.404 41.291 0.113 17812 1781 1 5 . 1 1 369 369 ASP H H 369 8.614 8.614 8.036 0.578 17812 1782 1 5 . 1 1 370 370 GLU N N 370 115.631 115.631 120.743 -5.112 17812 1783 1 5 . 1 1 370 370 GLU HA H 370 4.861 4.861 4.497 0.364 17812 1784 1 5 . 1 1 370 370 GLU C C 370 175.047 175.047 175.585 -0.538 17812 1785 1 5 . 1 1 370 370 GLU CA C 370 54.687 54.687 55.146 -0.459 17812 1786 1 5 . 1 1 370 370 GLU CB C 370 32.837 32.837 31.089 1.748 17812 1787 1 5 . 1 1 370 370 GLU H H 370 7.823 7.823 8.427 -0.604 17812 1788 1 5 . 1 1 371 371 TRP N N 371 124.056 124.056 124.462 -0.406 17812 1789 1 5 . 1 1 371 371 TRP HA H 371 4.311 4.311 4.559 -0.248 17812 1790 1 5 . 1 1 371 371 TRP C C 371 171.586 171.586 173.431 -1.845 17812 1791 1 5 . 1 1 371 371 TRP CA C 371 59.845 59.845 56.229 3.616 17812 1792 1 5 . 1 1 371 371 TRP CB C 371 31.317 31.317 30.510 0.807 17812 1793 1 5 . 1 1 371 371 TRP H H 371 9.205 9.205 8.306 0.899 17812 1794 1 5 . 1 1 372 372 TYR N N 372 122.933 122.933 121.677 1.256 17812 1795 1 5 . 1 1 372 372 TYR HA H 372 5.217 5.217 3.973 1.244 17812 1796 1 5 . 1 1 372 372 TYR C C 372 173.821 173.821 174.722 -0.901 17812 1797 1 5 . 1 1 372 372 TYR CA C 372 54.963 54.963 55.018 -0.055 17812 1798 1 5 . 1 1 372 372 TYR CB C 372 41.593 41.593 40.265 1.328 17812 1799 1 5 . 1 1 372 372 TYR H H 372 6.907 6.907 7.636 -0.729 17812 1800 1 5 . 1 1 373 373 CYS N N 373 127.647 127.647 121.293 6.354 17812 1801 1 5 . 1 1 373 373 CYS HA H 373 3.530 3.530 3.672 -0.142 17812 1802 1 5 . 1 1 373 373 CYS CA C 373 57.539 57.539 56.295 1.244 17812 1803 1 5 . 1 1 373 373 CYS CB C 373 30.549 30.549 26.745 3.804 17812 1804 1 5 . 1 1 373 373 CYS H H 373 9.310 9.310 8.327 0.983 17812 1805 1 5 . 1 1 374 374 PRO HA H 374 3.987 3.987 4.061 -0.074 17812 1806 1 5 . 1 1 374 374 PRO C C 374 178.008 178.008 178.758 -0.750 17812 1807 1 5 . 1 1 374 374 PRO CA C 374 65.504 65.504 65.566 -0.062 17812 1808 1 5 . 1 1 374 374 PRO CB C 374 32.293 32.293 31.862 0.431 17812 1809 1 5 . 1 1 375 375 GLU N N 375 116.759 116.759 118.138 -1.379 17812 1810 1 5 . 1 1 375 375 GLU HA H 375 4.237 4.237 4.023 0.214 17812 1811 1 5 . 1 1 375 375 GLU C C 375 177.054 177.054 178.034 -0.980 17812 1812 1 5 . 1 1 375 375 GLU CA C 375 58.479 58.479 59.383 -0.904 17812 1813 1 5 . 1 1 375 375 GLU CB C 375 30.939 30.939 29.550 1.389 17812 1814 1 5 . 1 1 375 375 GLU H H 375 8.111 8.111 8.930 -0.819 17812 1815 1 5 . 1 1 376 376 CYS N N 376 122.642 122.642 116.659 5.983 17812 1816 1 5 . 1 1 376 376 CYS HA H 376 4.055 4.055 4.246 -0.191 17812 1817 1 5 . 1 1 376 376 CYS CA C 376 62.498 62.498 61.458 1.040 17812 1818 1 5 . 1 1 376 376 CYS CB C 376 31.379 31.379 26.083 5.296 17812 1819 1 5 . 1 1 376 376 CYS H H 376 8.075 8.075 8.134 -0.059 17812 1820 1 5 . 1 1 377 377 ARG N N 377 117.680 117.680 120.176 -2.496 17812 1821 1 5 . 1 1 377 377 ARG HA H 377 3.948 3.948 3.951 -0.003 17812 1822 1 5 . 1 1 377 377 ARG C C 377 56.425 56.425 177.777 -121.352 17812 1823 1 5 . 1 1 377 377 ARG CB C 377 30.678 30.678 29.921 0.757 17812 1824 1 5 . 1 1 377 377 ARG H H 377 7.856 7.856 8.272 -0.416 17812 1825 1 5 . 1 1 378 378 ASN N N 378 119.726 119.726 116.870 2.856 17812 1826 1 5 . 1 1 378 378 ASN HA H 378 4.695 4.695 4.502 0.193 17812 1827 1 5 . 1 1 378 378 ASN C C 378 173.554 173.554 175.521 -1.967 17812 1828 1 5 . 1 1 378 378 ASN CA C 378 53.204 53.204 54.672 -1.468 17812 1829 1 5 . 1 1 378 378 ASN CB C 378 39.516 39.516 38.368 1.148 17812 1830 1 5 . 1 1 378 378 ASN H H 378 8.189 8.189 7.846 0.343 17812 1831 1 6 . 1 1 312 312 GLY N N 312 110.352 110.352 111.136 -0.784 17812 1832 1 6 . 1 1 312 312 GLY CA C 312 44.546 44.546 44.274 0.272 17812 1833 1 6 . 1 1 312 312 GLY H H 312 7.809 7.809 7.957 -0.148 17812 1834 1 6 . 1 1 313 313 PRO HA H 313 4.433 4.433 4.482 -0.049 17812 1835 1 6 . 1 1 313 313 PRO CA C 313 62.527 62.527 62.543 -0.016 17812 1836 1 6 . 1 1 313 313 PRO CB C 313 31.680 31.680 32.609 -0.929 17812 1837 1 6 . 1 1 314 314 SER N N 314 120.711 120.711 115.142 5.569 17812 1838 1 6 . 1 1 314 314 SER HA H 314 4.331 4.331 4.228 0.103 17812 1839 1 6 . 1 1 314 314 SER C C 314 174.789 174.789 174.256 0.533 17812 1840 1 6 . 1 1 314 314 SER CA C 314 60.627 60.627 60.030 0.597 17812 1841 1 6 . 1 1 314 314 SER CB C 314 63.925 63.925 63.274 0.651 17812 1842 1 6 . 1 1 314 314 SER H H 314 10.435 10.435 8.411 2.024 17812 1843 1 6 . 1 1 315 315 CYS N N 315 125.240 125.240 121.392 3.848 17812 1844 1 6 . 1 1 315 315 CYS HA H 315 4.698 4.698 4.778 -0.080 17812 1845 1 6 . 1 1 315 315 CYS C C 315 176.852 176.852 174.707 2.145 17812 1846 1 6 . 1 1 315 315 CYS CA C 315 58.281 58.281 57.878 0.403 17812 1847 1 6 . 1 1 315 315 CYS CB C 315 32.487 32.487 28.020 4.467 17812 1848 1 6 . 1 1 315 315 CYS H H 315 9.159 9.159 7.971 1.188 17812 1849 1 6 . 1 1 316 316 LYS N N 316 127.250 127.250 126.581 0.669 17812 1850 1 6 . 1 1 316 316 LYS HA H 316 4.005 4.005 4.459 -0.454 17812 1851 1 6 . 1 1 316 316 LYS C C 316 176.341 176.341 176.625 -0.284 17812 1852 1 6 . 1 1 316 316 LYS CA C 316 58.026 58.026 56.672 1.354 17812 1853 1 6 . 1 1 316 316 LYS CB C 316 32.116 32.116 32.335 -0.219 17812 1854 1 6 . 1 1 316 316 LYS H H 316 8.951 8.951 8.630 0.321 17812 1855 1 6 . 1 1 317 317 HIS N N 317 121.622 121.622 118.614 3.008 17812 1856 1 6 . 1 1 317 317 HIS HA H 317 4.367 4.367 4.532 -0.165 17812 1857 1 6 . 1 1 317 317 HIS C C 317 176.348 176.348 176.908 -0.560 17812 1858 1 6 . 1 1 317 317 HIS CA C 317 59.351 59.351 59.443 -0.092 17812 1859 1 6 . 1 1 317 317 HIS CB C 317 31.034 31.034 29.293 1.741 17812 1860 1 6 . 1 1 317 317 HIS H H 317 8.882 8.882 7.832 1.050 17812 1861 1 6 . 1 1 318 318 CYS N N 318 115.222 115.222 116.697 -1.475 17812 1862 1 6 . 1 1 318 318 CYS HA H 318 4.839 4.839 4.378 0.461 17812 1863 1 6 . 1 1 318 318 CYS C C 318 176.909 176.909 176.097 0.812 17812 1864 1 6 . 1 1 318 318 CYS CA C 318 58.040 58.040 60.049 -2.009 17812 1865 1 6 . 1 1 318 318 CYS CB C 318 31.925 31.925 26.524 5.401 17812 1866 1 6 . 1 1 318 318 CYS H H 318 8.081 8.081 8.190 -0.109 17812 1867 1 6 . 1 1 319 319 LYS N N 319 119.827 119.827 120.011 -0.184 17812 1868 1 6 . 1 1 319 319 LYS HA H 319 3.886 3.886 4.053 -0.167 17812 1869 1 6 . 1 1 319 319 LYS C C 319 174.670 174.670 178.579 -3.909 17812 1870 1 6 . 1 1 319 319 LYS CA C 319 57.728 57.728 59.120 -1.391 17812 1871 1 6 . 1 1 319 319 LYS CB C 319 28.902 28.902 32.434 -3.532 17812 1872 1 6 . 1 1 319 319 LYS H H 319 7.895 7.895 8.095 -0.200 17812 1873 1 6 . 1 1 320 320 ASP N N 320 117.610 117.610 118.946 -1.336 17812 1874 1 6 . 1 1 320 320 ASP HA H 320 4.206 4.206 4.468 -0.262 17812 1875 1 6 . 1 1 320 320 ASP C C 320 174.861 174.861 177.124 -2.263 17812 1876 1 6 . 1 1 320 320 ASP CA C 320 54.551 54.551 56.581 -2.030 17812 1877 1 6 . 1 1 320 320 ASP CB C 320 38.354 38.354 41.138 -2.784 17812 1878 1 6 . 1 1 320 320 ASP H H 320 8.873 8.873 7.732 1.141 17812 1879 1 6 . 1 1 321 321 ASP N N 321 118.813 118.813 118.703 0.110 17812 1880 1 6 . 1 1 321 321 ASP HA H 321 4.595 4.595 4.987 -0.392 17812 1881 1 6 . 1 1 321 321 ASP C C 321 176.386 176.386 176.439 -0.053 17812 1882 1 6 . 1 1 321 321 ASP CA C 321 53.781 53.781 53.145 0.636 17812 1883 1 6 . 1 1 321 321 ASP CB C 321 40.782 40.782 40.721 0.061 17812 1884 1 6 . 1 1 321 321 ASP H H 321 7.212 7.212 7.940 -0.728 17812 1885 1 6 . 1 1 322 322 VAL N N 322 122.228 122.228 118.594 3.634 17812 1886 1 6 . 1 1 322 322 VAL HA H 322 3.866 3.866 3.811 0.055 17812 1887 1 6 . 1 1 322 322 VAL CA C 322 63.885 63.885 64.906 -1.021 17812 1888 1 6 . 1 1 322 322 VAL CB C 322 31.385 31.385 31.421 -0.036 17812 1889 1 6 . 1 1 322 322 VAL H H 322 8.060 8.060 8.016 0.044 17812 1890 1 6 . 1 1 323 323 ASN N N 323 117.787 117.787 116.726 1.061 17812 1891 1 6 . 1 1 323 323 ASN HA H 323 4.710 4.710 4.556 0.154 17812 1892 1 6 . 1 1 323 323 ASN CA C 323 54.065 54.065 54.745 -0.680 17812 1893 1 6 . 1 1 323 323 ASN CB C 323 38.876 38.876 38.304 0.572 17812 1894 1 6 . 1 1 323 323 ASN H H 323 8.486 8.486 8.333 0.153 17812 1895 1 6 . 1 1 324 324 ARG N N 324 120.106 120.106 119.618 0.488 17812 1896 1 6 . 1 1 324 324 ARG HA H 324 4.632 4.632 4.502 0.130 17812 1897 1 6 . 1 1 324 324 ARG C C 324 175.881 175.881 174.412 1.469 17812 1898 1 6 . 1 1 324 324 ARG CA C 324 54.488 54.488 55.084 -0.596 17812 1899 1 6 . 1 1 324 324 ARG CB C 324 32.709 32.709 32.437 0.272 17812 1900 1 6 . 1 1 324 324 ARG H H 324 7.955 7.955 7.734 0.221 17812 1901 1 6 . 1 1 325 325 LEU N N 325 123.983 123.983 121.393 2.590 17812 1902 1 6 . 1 1 325 325 LEU HA H 325 4.422 4.422 4.472 -0.050 17812 1903 1 6 . 1 1 325 325 LEU C C 325 177.647 177.647 177.130 0.517 17812 1904 1 6 . 1 1 325 325 LEU CA C 325 54.910 54.910 54.158 0.752 17812 1905 1 6 . 1 1 325 325 LEU CB C 325 42.720 42.720 42.960 -0.240 17812 1906 1 6 . 1 1 325 325 LEU H H 325 8.423 8.423 8.263 0.160 17812 1907 1 6 . 1 1 326 326 CYS N N 326 123.693 123.693 121.760 1.933 17812 1908 1 6 . 1 1 326 326 CYS HA H 326 4.474 4.474 4.745 -0.271 17812 1909 1 6 . 1 1 326 326 CYS C C 326 174.472 174.472 176.325 -1.853 17812 1910 1 6 . 1 1 326 326 CYS CA C 326 60.503 60.503 57.040 3.463 17812 1911 1 6 . 1 1 326 326 CYS CB C 326 32.551 32.551 27.827 4.724 17812 1912 1 6 . 1 1 326 326 CYS H H 326 9.277 9.277 9.019 0.258 17812 1913 1 6 . 1 1 327 327 ARG N N 327 126.881 126.881 123.849 3.032 17812 1914 1 6 . 1 1 327 327 ARG HA H 327 4.579 4.579 4.015 0.564 17812 1915 1 6 . 1 1 327 327 ARG C C 327 175.128 175.128 177.858 -2.730 17812 1916 1 6 . 1 1 327 327 ARG CA C 327 56.522 56.522 59.155 -2.633 17812 1917 1 6 . 1 1 327 327 ARG CB C 327 29.116 29.116 29.945 -0.829 17812 1918 1 6 . 1 1 327 327 ARG H H 327 8.880 8.880 8.849 0.031 17812 1919 1 6 . 1 1 328 328 VAL N N 328 123.112 123.112 116.922 6.190 17812 1920 1 6 . 1 1 328 328 VAL HA H 328 4.139 4.139 3.698 0.441 17812 1921 1 6 . 1 1 328 328 VAL C C 328 176.618 176.618 176.705 -0.087 17812 1922 1 6 . 1 1 328 328 VAL CA C 328 65.790 65.790 64.584 1.206 17812 1923 1 6 . 1 1 328 328 VAL CB C 328 32.296 32.296 31.855 0.441 17812 1924 1 6 . 1 1 328 328 VAL H H 328 9.058 9.058 8.023 1.035 17812 1925 1 6 . 1 1 329 329 CYS N N 329 117.822 117.822 117.150 0.672 17812 1926 1 6 . 1 1 329 329 CYS HA H 329 4.975 4.975 4.721 0.254 17812 1927 1 6 . 1 1 329 329 CYS C C 329 174.466 174.466 173.450 1.016 17812 1928 1 6 . 1 1 329 329 CYS CA C 329 58.446 58.446 56.343 2.103 17812 1929 1 6 . 1 1 329 329 CYS CB C 329 31.850 31.850 25.569 6.281 17812 1930 1 6 . 1 1 329 329 CYS H H 329 8.372 8.372 7.759 0.613 17812 1931 1 6 . 1 1 330 330 ALA N N 330 130.671 130.671 124.863 5.808 17812 1932 1 6 . 1 1 330 330 ALA HA H 330 4.575 4.575 4.500 0.075 17812 1933 1 6 . 1 1 330 330 ALA C C 330 175.000 175.000 175.180 -0.180 17812 1934 1 6 . 1 1 330 330 ALA CA C 330 50.393 50.393 51.056 -0.662 17812 1935 1 6 . 1 1 330 330 ALA CB C 330 19.244 19.244 21.299 -2.055 17812 1936 1 6 . 1 1 330 330 ALA H H 330 7.030 7.030 7.536 -0.506 17812 1937 1 6 . 1 1 331 331 CYS N N 331 118.585 118.585 121.324 -2.739 17812 1938 1 6 . 1 1 331 331 CYS HA H 331 3.587 3.587 4.573 -0.986 17812 1939 1 6 . 1 1 331 331 CYS C C 331 177.953 177.953 175.842 2.111 17812 1940 1 6 . 1 1 331 331 CYS CA C 331 60.241 60.241 59.301 0.940 17812 1941 1 6 . 1 1 331 331 CYS CB C 331 30.524 30.524 27.923 2.601 17812 1942 1 6 . 1 1 331 331 CYS H H 331 7.081 7.081 8.781 -1.700 17812 1943 1 6 . 1 1 332 332 HIS N N 332 127.546 127.546 125.832 1.714 17812 1944 1 6 . 1 1 332 332 HIS HA H 332 4.752 4.752 4.242 0.510 17812 1945 1 6 . 1 1 332 332 HIS C C 332 174.236 174.236 176.197 -1.961 17812 1946 1 6 . 1 1 332 332 HIS CA C 332 56.287 56.287 58.699 -2.412 17812 1947 1 6 . 1 1 332 332 HIS CB C 332 28.769 28.769 29.692 -0.923 17812 1948 1 6 . 1 1 332 332 HIS H H 332 9.757 9.757 8.801 0.956 17812 1949 1 6 . 1 1 333 333 LEU N N 333 118.061 118.061 116.690 1.371 17812 1950 1 6 . 1 1 333 333 LEU HA H 333 4.580 4.580 3.904 0.676 17812 1951 1 6 . 1 1 333 333 LEU C C 333 177.564 177.564 176.859 0.705 17812 1952 1 6 . 1 1 333 333 LEU CA C 333 56.046 56.046 55.860 0.186 17812 1953 1 6 . 1 1 333 333 LEU CB C 333 42.986 42.986 42.576 0.410 17812 1954 1 6 . 1 1 333 333 LEU H H 333 8.773 8.773 7.644 1.129 17812 1955 1 6 . 1 1 334 334 CYS N N 334 118.393 118.393 115.692 2.701 17812 1956 1 6 . 1 1 334 334 CYS HA H 334 5.084 5.084 4.747 0.337 17812 1957 1 6 . 1 1 334 334 CYS C C 334 176.736 176.736 175.481 1.255 17812 1958 1 6 . 1 1 334 334 CYS CA C 334 58.973 58.973 57.400 1.573 17812 1959 1 6 . 1 1 334 334 CYS CB C 334 32.481 32.481 29.160 3.321 17812 1960 1 6 . 1 1 334 334 CYS H H 334 8.310 8.310 7.950 0.360 17812 1961 1 6 . 1 1 335 335 GLY N N 335 115.992 115.992 111.086 4.906 17812 1962 1 6 . 1 1 335 335 GLY C C 335 172.059 172.059 175.351 -3.292 17812 1963 1 6 . 1 1 335 335 GLY CA C 335 45.652 45.652 45.760 -0.108 17812 1964 1 6 . 1 1 335 335 GLY H H 335 8.596 8.596 8.793 -0.197 17812 1965 1 6 . 1 1 336 336 GLY N N 336 111.360 111.360 107.956 3.404 17812 1966 1 6 . 1 1 336 336 GLY C C 336 174.101 174.101 175.060 -0.959 17812 1967 1 6 . 1 1 336 336 GLY CA C 336 44.987 44.987 45.199 -0.212 17812 1968 1 6 . 1 1 336 336 GLY H H 336 9.594 9.594 7.409 2.185 17812 1969 1 6 . 1 1 337 337 ARG N N 337 118.859 118.859 116.553 2.306 17812 1970 1 6 . 1 1 337 337 ARG HA H 337 4.413 4.413 3.937 0.476 17812 1971 1 6 . 1 1 337 337 ARG C C 337 177.635 177.635 176.305 1.330 17812 1972 1 6 . 1 1 337 337 ARG CA C 337 55.364 55.364 56.524 -1.160 17812 1973 1 6 . 1 1 337 337 ARG CB C 337 31.337 31.337 27.624 3.713 17812 1974 1 6 . 1 1 337 337 ARG H H 337 8.827 8.827 7.935 0.892 17812 1975 1 6 . 1 1 338 338 GLN N N 338 120.950 120.950 117.316 3.634 17812 1976 1 6 . 1 1 338 338 GLN HA H 338 4.376 4.376 4.144 0.232 17812 1977 1 6 . 1 1 338 338 GLN C C 338 176.420 176.420 176.061 0.359 17812 1978 1 6 . 1 1 338 338 GLN CA C 338 55.694 55.694 58.066 -2.372 17812 1979 1 6 . 1 1 338 338 GLN CB C 338 28.096 28.096 29.260 -1.164 17812 1980 1 6 . 1 1 338 338 GLN H H 338 9.568 9.568 8.464 1.104 17812 1981 1 6 . 1 1 339 339 ASP N N 339 117.880 117.880 115.119 2.761 17812 1982 1 6 . 1 1 339 339 ASP HA H 339 4.625 4.625 4.951 -0.326 17812 1983 1 6 . 1 1 339 339 ASP CA C 339 55.283 55.283 53.146 2.137 17812 1984 1 6 . 1 1 339 339 ASP CB C 339 41.092 41.092 41.562 -0.471 17812 1985 1 6 . 1 1 339 339 ASP H H 339 9.681 9.681 8.260 1.421 17812 1986 1 6 . 1 1 340 340 PRO HA H 340 4.140 4.140 3.817 0.323 17812 1987 1 6 . 1 1 340 340 PRO C C 340 177.463 177.463 177.794 -0.331 17812 1988 1 6 . 1 1 340 340 PRO CA C 340 65.883 65.883 64.817 1.066 17812 1989 1 6 . 1 1 340 340 PRO CB C 340 30.045 30.045 31.766 -1.721 17812 1990 1 6 . 1 1 341 341 ASP N N 341 115.117 115.117 116.287 -1.170 17812 1991 1 6 . 1 1 341 341 ASP HA H 341 4.642 4.642 4.377 0.265 17812 1992 1 6 . 1 1 341 341 ASP C C 341 175.663 175.663 176.932 -1.269 17812 1993 1 6 . 1 1 341 341 ASP CA C 341 54.735 54.735 56.036 -1.301 17812 1994 1 6 . 1 1 341 341 ASP CB C 341 39.135 39.135 39.718 -0.583 17812 1995 1 6 . 1 1 341 341 ASP H H 341 9.176 9.176 8.768 0.408 17812 1996 1 6 . 1 1 342 342 LYS N N 342 117.582 117.582 116.944 0.638 17812 1997 1 6 . 1 1 342 342 LYS HA H 342 4.351 4.351 4.424 -0.073 17812 1998 1 6 . 1 1 342 342 LYS CA C 342 54.496 54.496 55.395 -0.899 17812 1999 1 6 . 1 1 342 342 LYS CB C 342 33.968 33.968 32.973 0.995 17812 2000 1 6 . 1 1 342 342 LYS H H 342 8.056 8.056 7.546 0.510 17812 2001 1 6 . 1 1 343 343 GLN N N 343 119.535 119.535 120.197 -0.662 17812 2002 1 6 . 1 1 343 343 GLN HA H 343 4.510 4.510 3.967 0.543 17812 2003 1 6 . 1 1 343 343 GLN C C 343 175.176 175.176 174.901 0.275 17812 2004 1 6 . 1 1 343 343 GLN CA C 343 54.652 54.652 55.152 -0.500 17812 2005 1 6 . 1 1 343 343 GLN CB C 343 29.270 29.270 28.998 0.272 17812 2006 1 6 . 1 1 343 343 GLN H H 343 7.174 7.174 7.136 0.038 17812 2007 1 6 . 1 1 344 344 LEU N N 344 124.836 124.836 126.965 -2.129 17812 2008 1 6 . 1 1 344 344 LEU HA H 344 4.307 4.307 4.648 -0.341 17812 2009 1 6 . 1 1 344 344 LEU CA C 344 53.564 53.564 53.888 -0.324 17812 2010 1 6 . 1 1 344 344 LEU CB C 344 44.381 44.381 43.781 0.601 17812 2011 1 6 . 1 1 344 344 LEU H H 344 8.215 8.215 8.632 -0.417 17812 2012 1 6 . 1 1 345 345 MET N N 345 119.349 119.349 119.588 -0.239 17812 2013 1 6 . 1 1 345 345 MET HA H 345 5.433 5.433 5.365 0.068 17812 2014 1 6 . 1 1 345 345 MET C C 345 175.462 175.462 175.746 -0.284 17812 2015 1 6 . 1 1 345 345 MET CA C 345 52.877 52.877 53.940 -1.062 17812 2016 1 6 . 1 1 345 345 MET CB C 345 32.312 32.312 35.398 -3.086 17812 2017 1 6 . 1 1 345 345 MET H H 345 8.086 8.086 8.203 -0.117 17812 2018 1 6 . 1 1 346 346 CYS N N 346 124.792 124.792 124.927 -0.135 17812 2019 1 6 . 1 1 346 346 CYS HA H 346 4.751 4.751 4.749 0.002 17812 2020 1 6 . 1 1 346 346 CYS C C 346 177.998 177.998 175.805 2.193 17812 2021 1 6 . 1 1 346 346 CYS CA C 346 60.088 60.088 58.231 1.857 17812 2022 1 6 . 1 1 346 346 CYS CB C 346 32.345 32.345 29.104 3.241 17812 2023 1 6 . 1 1 346 346 CYS H H 346 9.088 9.088 9.009 0.079 17812 2024 1 6 . 1 1 347 347 ASP N N 347 129.440 129.440 127.686 1.754 17812 2025 1 6 . 1 1 347 347 ASP HA H 347 4.624 4.624 4.630 -0.006 17812 2026 1 6 . 1 1 347 347 ASP C C 347 174.755 174.755 177.591 -2.836 17812 2027 1 6 . 1 1 347 347 ASP CA C 347 57.932 57.932 56.776 1.156 17812 2028 1 6 . 1 1 347 347 ASP CB C 347 41.115 41.115 40.856 0.259 17812 2029 1 6 . 1 1 347 347 ASP H H 347 9.154 9.154 8.670 0.484 17812 2030 1 6 . 1 1 348 348 GLU N N 348 124.253 124.253 118.641 5.612 17812 2031 1 6 . 1 1 348 348 GLU HA H 348 4.895 4.895 4.265 0.630 17812 2032 1 6 . 1 1 348 348 GLU C C 348 176.439 176.439 177.495 -1.056 17812 2033 1 6 . 1 1 348 348 GLU CA C 348 58.673 58.673 58.435 0.238 17812 2034 1 6 . 1 1 348 348 GLU CB C 348 30.510 30.510 29.941 0.569 17812 2035 1 6 . 1 1 348 348 GLU H H 348 9.615 9.615 8.825 0.790 17812 2036 1 6 . 1 1 349 349 CYS N N 349 119.153 119.153 117.308 1.845 17812 2037 1 6 . 1 1 349 349 CYS HA H 349 4.778 4.778 4.659 0.119 17812 2038 1 6 . 1 1 349 349 CYS CA C 349 60.216 60.216 58.786 1.430 17812 2039 1 6 . 1 1 349 349 CYS CB C 349 32.008 32.008 28.332 3.676 17812 2040 1 6 . 1 1 349 349 CYS H H 349 8.522 8.522 7.714 0.808 17812 2041 1 6 . 1 1 350 350 ASP N N 350 115.218 115.218 118.518 -3.300 17812 2042 1 6 . 1 1 350 350 ASP HA H 350 4.492 4.492 4.393 0.099 17812 2043 1 6 . 1 1 350 350 ASP CA C 350 55.086 55.086 55.640 -0.554 17812 2044 1 6 . 1 1 350 350 ASP CB C 350 41.386 41.386 38.537 2.849 17812 2045 1 6 . 1 1 350 350 ASP H H 350 7.813 7.813 8.704 -0.891 17812 2046 1 6 . 1 1 351 351 MET N N 351 117.029 117.029 116.558 0.471 17812 2047 1 6 . 1 1 351 351 MET HA H 351 4.520 4.520 4.801 -0.281 17812 2048 1 6 . 1 1 351 351 MET C C 351 173.497 173.497 174.447 -0.950 17812 2049 1 6 . 1 1 351 351 MET CA C 351 54.706 54.706 52.831 1.875 17812 2050 1 6 . 1 1 351 351 MET CB C 351 34.605 34.605 36.295 -1.690 17812 2051 1 6 . 1 1 351 351 MET H H 351 8.162 8.162 7.499 0.663 17812 2052 1 6 . 1 1 352 352 ALA N N 352 123.068 123.068 122.405 0.663 17812 2053 1 6 . 1 1 352 352 ALA HA H 352 5.528 5.528 5.452 0.076 17812 2054 1 6 . 1 1 352 352 ALA C C 352 177.545 177.545 176.465 1.080 17812 2055 1 6 . 1 1 352 352 ALA CA C 352 49.943 49.943 50.973 -1.030 17812 2056 1 6 . 1 1 352 352 ALA CB C 352 22.111 22.111 20.813 1.298 17812 2057 1 6 . 1 1 352 352 ALA H H 352 8.499 8.499 8.495 0.004 17812 2058 1 6 . 1 1 353 353 PHE N N 353 116.057 116.057 119.265 -3.208 17812 2059 1 6 . 1 1 353 353 PHE HA H 353 5.106 5.106 4.934 0.172 17812 2060 1 6 . 1 1 353 353 PHE C C 353 176.868 176.868 176.521 0.347 17812 2061 1 6 . 1 1 353 353 PHE CA C 353 56.416 56.416 57.377 -0.961 17812 2062 1 6 . 1 1 353 353 PHE CB C 353 43.111 43.111 43.731 -0.620 17812 2063 1 6 . 1 1 353 353 PHE H H 353 9.164 9.164 8.274 0.890 17812 2064 1 6 . 1 1 354 354 HIS N N 354 124.053 124.053 121.680 2.373 17812 2065 1 6 . 1 1 354 354 HIS HA H 354 4.650 4.650 4.290 0.360 17812 2066 1 6 . 1 1 354 354 HIS C C 354 180.505 180.505 176.923 3.582 17812 2067 1 6 . 1 1 354 354 HIS CA C 354 58.931 58.931 57.115 1.816 17812 2068 1 6 . 1 1 354 354 HIS CB C 354 31.235 31.235 29.544 1.691 17812 2069 1 6 . 1 1 354 354 HIS H H 354 9.388 9.388 9.060 0.327 17812 2070 1 6 . 1 1 355 355 ILE N N 355 115.081 115.081 117.872 -2.791 17812 2071 1 6 . 1 1 355 355 ILE HA H 355 3.928 3.928 3.602 0.326 17812 2072 1 6 . 1 1 355 355 ILE C C 355 175.451 175.451 175.855 -0.404 17812 2073 1 6 . 1 1 355 355 ILE CA C 355 65.726 65.726 63.922 1.804 17812 2074 1 6 . 1 1 355 355 ILE CB C 355 36.292 36.292 36.881 -0.589 17812 2075 1 6 . 1 1 355 355 ILE H H 355 8.568 8.568 8.079 0.489 17812 2076 1 6 . 1 1 356 356 TYR N N 356 110.787 110.787 113.283 -2.496 17812 2077 1 6 . 1 1 356 356 TYR HA H 356 4.801 4.801 4.638 0.163 17812 2078 1 6 . 1 1 356 356 TYR C C 356 177.073 177.073 175.502 1.571 17812 2079 1 6 . 1 1 356 356 TYR CA C 356 55.362 55.362 57.581 -2.219 17812 2080 1 6 . 1 1 356 356 TYR CB C 356 36.767 36.767 38.773 -2.006 17812 2081 1 6 . 1 1 356 356 TYR H H 356 6.117 6.117 7.477 -1.360 17812 2082 1 6 . 1 1 357 357 CYS N N 357 121.584 121.584 117.361 4.223 17812 2083 1 6 . 1 1 357 357 CYS HA H 357 4.537 4.537 3.651 0.886 17812 2084 1 6 . 1 1 357 357 CYS C C 357 174.868 174.868 175.468 -0.600 17812 2085 1 6 . 1 1 357 357 CYS CA C 357 62.349 62.349 59.504 2.845 17812 2086 1 6 . 1 1 357 357 CYS CB C 357 31.087 31.087 25.746 5.341 17812 2087 1 6 . 1 1 357 357 CYS H H 357 7.603 7.603 7.231 0.372 17812 2088 1 6 . 1 1 358 358 LEU N N 358 119.134 119.134 120.980 -1.846 17812 2089 1 6 . 1 1 358 358 LEU HA H 358 4.040 4.040 4.231 -0.191 17812 2090 1 6 . 1 1 358 358 LEU CA C 358 55.465 55.465 55.124 0.341 17812 2091 1 6 . 1 1 358 358 LEU CB C 358 44.020 44.020 42.056 1.964 17812 2092 1 6 . 1 1 358 358 LEU H H 358 6.387 6.387 7.331 -0.944 17812 2093 1 6 . 1 1 359 359 ASP N N 359 117.020 117.020 121.790 -4.770 17812 2094 1 6 . 1 1 359 359 ASP HA H 359 4.985 4.985 4.468 0.517 17812 2095 1 6 . 1 1 359 359 ASP CA C 359 50.354 50.354 57.055 -6.701 17812 2096 1 6 . 1 1 359 359 ASP CB C 359 43.465 43.465 39.797 3.668 17812 2097 1 6 . 1 1 359 359 ASP H H 359 8.167 8.167 8.549 -0.382 17812 2098 1 6 . 1 1 360 360 PRO HA H 360 5.202 5.202 4.518 0.684 17812 2099 1 6 . 1 1 360 360 PRO CA C 360 62.131 62.131 61.502 0.629 17812 2100 1 6 . 1 1 360 360 PRO CB C 360 33.173 33.173 31.376 1.797 17812 2101 1 6 . 1 1 361 361 PRO HA H 361 4.462 4.462 4.556 -0.094 17812 2102 1 6 . 1 1 361 361 PRO C C 361 177.733 177.733 177.044 0.689 17812 2103 1 6 . 1 1 361 361 PRO CA C 361 63.068 63.068 61.910 1.158 17812 2104 1 6 . 1 1 361 361 PRO CB C 361 32.301 32.301 32.819 -0.518 17812 2105 1 6 . 1 1 362 362 LEU N N 362 121.043 121.043 120.924 0.119 17812 2106 1 6 . 1 1 362 362 LEU HA H 362 4.761 4.761 4.430 0.331 17812 2107 1 6 . 1 1 362 362 LEU C C 362 177.392 177.392 178.146 -0.754 17812 2108 1 6 . 1 1 362 362 LEU CA C 362 53.621 53.621 54.716 -1.095 17812 2109 1 6 . 1 1 362 362 LEU CB C 362 43.759 43.759 42.025 1.734 17812 2110 1 6 . 1 1 362 362 LEU H H 362 7.798 7.798 8.293 -0.495 17812 2111 1 6 . 1 1 363 363 SER N N 363 115.324 115.324 116.882 -1.558 17812 2112 1 6 . 1 1 363 363 SER HA H 363 4.377 4.377 4.365 0.012 17812 2113 1 6 . 1 1 363 363 SER C C 363 174.070 174.070 174.399 -0.329 17812 2114 1 6 . 1 1 363 363 SER CA C 363 59.341 59.341 59.956 -0.615 17812 2115 1 6 . 1 1 363 363 SER CB C 363 63.871 63.871 63.636 0.235 17812 2116 1 6 . 1 1 363 363 SER H H 363 8.899 8.899 8.632 0.268 17812 2117 1 6 . 1 1 364 364 SER N N 364 112.898 112.898 115.114 -2.216 17812 2118 1 6 . 1 1 364 364 SER HA H 364 4.451 4.451 4.592 -0.141 17812 2119 1 6 . 1 1 364 364 SER C C 364 173.066 173.066 172.968 0.098 17812 2120 1 6 . 1 1 364 364 SER CA C 364 56.852 56.852 58.036 -1.184 17812 2121 1 6 . 1 1 364 364 SER CB C 364 65.197 65.197 64.694 0.503 17812 2122 1 6 . 1 1 364 364 SER H H 364 7.460 7.460 7.608 -0.148 17812 2123 1 6 . 1 1 365 365 VAL N N 365 123.433 123.433 123.480 -0.047 17812 2124 1 6 . 1 1 365 365 VAL HA H 365 3.820 3.820 4.346 -0.526 17812 2125 1 6 . 1 1 365 365 VAL CA C 365 61.613 61.613 59.571 2.042 17812 2126 1 6 . 1 1 365 365 VAL CB C 365 32.428 32.428 32.891 -0.462 17812 2127 1 6 . 1 1 365 365 VAL H H 365 8.695 8.695 8.067 0.628 17812 2128 1 6 . 1 1 366 366 PRO HA H 366 4.457 4.457 4.636 -0.179 17812 2129 1 6 . 1 1 366 366 PRO C C 366 175.679 175.679 176.436 -0.757 17812 2130 1 6 . 1 1 366 366 PRO CA C 366 63.224 63.224 62.768 0.456 17812 2131 1 6 . 1 1 366 366 PRO CB C 366 32.526 32.526 32.617 -0.091 17812 2132 1 6 . 1 1 367 367 SER N N 367 116.079 116.079 119.578 -3.499 17812 2133 1 6 . 1 1 367 367 SER HA H 367 4.456 4.456 4.382 0.074 17812 2134 1 6 . 1 1 367 367 SER C C 367 174.796 174.796 175.905 -1.109 17812 2135 1 6 . 1 1 367 367 SER CA C 367 58.855 58.855 59.678 -0.823 17812 2136 1 6 . 1 1 367 367 SER CB C 367 64.091 64.091 63.816 0.276 17812 2137 1 6 . 1 1 367 367 SER H H 367 8.648 8.648 8.626 0.022 17812 2138 1 6 . 1 1 368 368 GLU N N 368 122.642 122.642 120.304 2.338 17812 2139 1 6 . 1 1 368 368 GLU HA H 368 4.275 4.275 4.203 0.072 17812 2140 1 6 . 1 1 368 368 GLU CA C 368 57.631 57.631 57.461 0.170 17812 2141 1 6 . 1 1 368 368 GLU CB C 368 30.124 30.124 29.873 0.251 17812 2142 1 6 . 1 1 368 368 GLU H H 368 8.629 8.629 8.560 0.069 17812 2143 1 6 . 1 1 369 369 ASP N N 369 120.686 120.686 119.916 0.770 17812 2144 1 6 . 1 1 369 369 ASP HA H 369 4.332 4.332 4.728 -0.396 17812 2145 1 6 . 1 1 369 369 ASP CA C 369 57.181 57.181 53.538 3.643 17812 2146 1 6 . 1 1 369 369 ASP CB C 369 41.404 41.404 41.109 0.295 17812 2147 1 6 . 1 1 369 369 ASP H H 369 8.614 8.614 7.999 0.615 17812 2148 1 6 . 1 1 370 370 GLU N N 370 115.631 115.631 123.233 -7.602 17812 2149 1 6 . 1 1 370 370 GLU HA H 370 4.861 4.861 4.322 0.539 17812 2150 1 6 . 1 1 370 370 GLU C C 370 175.047 175.047 175.917 -0.870 17812 2151 1 6 . 1 1 370 370 GLU CA C 370 54.687 54.687 55.766 -1.079 17812 2152 1 6 . 1 1 370 370 GLU CB C 370 32.837 32.837 30.477 2.360 17812 2153 1 6 . 1 1 370 370 GLU H H 370 7.823 7.823 8.531 -0.708 17812 2154 1 6 . 1 1 371 371 TRP N N 371 124.056 124.056 124.943 -0.887 17812 2155 1 6 . 1 1 371 371 TRP HA H 371 4.311 4.311 4.705 -0.394 17812 2156 1 6 . 1 1 371 371 TRP C C 371 171.586 171.586 173.823 -2.237 17812 2157 1 6 . 1 1 371 371 TRP CA C 371 59.845 59.845 56.466 3.379 17812 2158 1 6 . 1 1 371 371 TRP CB C 371 31.317 31.317 30.379 0.938 17812 2159 1 6 . 1 1 371 371 TRP H H 371 9.205 9.205 8.167 1.038 17812 2160 1 6 . 1 1 372 372 TYR N N 372 122.933 122.933 123.889 -0.956 17812 2161 1 6 . 1 1 372 372 TYR HA H 372 5.217 5.217 4.065 1.152 17812 2162 1 6 . 1 1 372 372 TYR C C 372 173.821 173.821 174.924 -1.103 17812 2163 1 6 . 1 1 372 372 TYR CA C 372 54.963 54.963 56.023 -1.060 17812 2164 1 6 . 1 1 372 372 TYR CB C 372 41.593 41.593 40.912 0.681 17812 2165 1 6 . 1 1 372 372 TYR H H 372 6.907 6.907 7.854 -0.947 17812 2166 1 6 . 1 1 373 373 CYS N N 373 127.647 127.647 121.749 5.898 17812 2167 1 6 . 1 1 373 373 CYS HA H 373 3.530 3.530 3.878 -0.348 17812 2168 1 6 . 1 1 373 373 CYS CA C 373 57.539 57.539 55.639 1.900 17812 2169 1 6 . 1 1 373 373 CYS CB C 373 30.549 30.549 26.398 4.151 17812 2170 1 6 . 1 1 373 373 CYS H H 373 9.310 9.310 8.165 1.145 17812 2171 1 6 . 1 1 374 374 PRO HA H 374 3.987 3.987 4.046 -0.059 17812 2172 1 6 . 1 1 374 374 PRO C C 374 178.008 178.008 178.708 -0.700 17812 2173 1 6 . 1 1 374 374 PRO CA C 374 65.504 65.504 65.418 0.086 17812 2174 1 6 . 1 1 374 374 PRO CB C 374 32.293 32.293 31.893 0.400 17812 2175 1 6 . 1 1 375 375 GLU N N 375 116.759 116.759 118.198 -1.439 17812 2176 1 6 . 1 1 375 375 GLU HA H 375 4.237 4.237 4.151 0.086 17812 2177 1 6 . 1 1 375 375 GLU C C 375 177.054 177.054 178.064 -1.010 17812 2178 1 6 . 1 1 375 375 GLU CA C 375 58.479 58.479 59.206 -0.727 17812 2179 1 6 . 1 1 375 375 GLU CB C 375 30.939 30.939 29.679 1.260 17812 2180 1 6 . 1 1 375 375 GLU H H 375 8.111 8.111 8.821 -0.710 17812 2181 1 6 . 1 1 376 376 CYS N N 376 122.642 122.642 115.537 7.105 17812 2182 1 6 . 1 1 376 376 CYS HA H 376 4.055 4.055 4.381 -0.326 17812 2183 1 6 . 1 1 376 376 CYS CA C 376 62.498 62.498 59.185 3.313 17812 2184 1 6 . 1 1 376 376 CYS CB C 376 31.379 31.379 25.945 5.434 17812 2185 1 6 . 1 1 376 376 CYS H H 376 8.075 8.075 7.622 0.453 17812 2186 1 6 . 1 1 377 377 ARG N N 377 117.680 117.680 120.903 -3.223 17812 2187 1 6 . 1 1 377 377 ARG HA H 377 3.948 3.948 4.079 -0.131 17812 2188 1 6 . 1 1 377 377 ARG C C 377 56.425 56.425 177.577 -121.152 17812 2189 1 6 . 1 1 377 377 ARG CB C 377 30.678 30.678 29.444 1.234 17812 2190 1 6 . 1 1 377 377 ARG H H 377 7.856 7.856 7.887 -0.031 17812 2191 1 6 . 1 1 378 378 ASN N N 378 119.726 119.726 117.107 2.619 17812 2192 1 6 . 1 1 378 378 ASN HA H 378 4.695 4.695 4.492 0.203 17812 2193 1 6 . 1 1 378 378 ASN C C 378 173.554 173.554 175.631 -2.077 17812 2194 1 6 . 1 1 378 378 ASN CA C 378 53.204 53.204 54.580 -1.376 17812 2195 1 6 . 1 1 378 378 ASN CB C 378 39.516 39.516 37.894 1.622 17812 2196 1 6 . 1 1 378 378 ASN H H 378 8.189 8.189 7.774 0.415 17812 2197 1 7 . 1 1 312 312 GLY N N 312 110.352 110.352 111.550 -1.198 17812 2198 1 7 . 1 1 312 312 GLY CA C 312 44.546 44.546 44.510 0.036 17812 2199 1 7 . 1 1 312 312 GLY H H 312 7.809 7.809 8.383 -0.574 17812 2200 1 7 . 1 1 313 313 PRO HA H 313 4.433 4.433 4.488 -0.055 17812 2201 1 7 . 1 1 313 313 PRO CA C 313 62.527 62.527 62.349 0.178 17812 2202 1 7 . 1 1 313 313 PRO CB C 313 31.680 31.680 32.543 -0.863 17812 2203 1 7 . 1 1 314 314 SER N N 314 120.711 120.711 115.726 4.985 17812 2204 1 7 . 1 1 314 314 SER HA H 314 4.331 4.331 4.269 0.062 17812 2205 1 7 . 1 1 314 314 SER C C 314 174.789 174.789 174.536 0.253 17812 2206 1 7 . 1 1 314 314 SER CA C 314 60.627 60.627 59.813 0.814 17812 2207 1 7 . 1 1 314 314 SER CB C 314 63.925 63.925 63.343 0.582 17812 2208 1 7 . 1 1 314 314 SER H H 314 10.435 10.435 8.408 2.027 17812 2209 1 7 . 1 1 315 315 CYS N N 315 125.240 125.240 120.837 4.403 17812 2210 1 7 . 1 1 315 315 CYS HA H 315 4.698 4.698 4.691 0.007 17812 2211 1 7 . 1 1 315 315 CYS C C 315 176.852 176.852 174.605 2.247 17812 2212 1 7 . 1 1 315 315 CYS CA C 315 58.281 58.281 57.709 0.572 17812 2213 1 7 . 1 1 315 315 CYS CB C 315 32.487 32.487 27.857 4.630 17812 2214 1 7 . 1 1 315 315 CYS H H 315 9.159 9.159 7.948 1.211 17812 2215 1 7 . 1 1 316 316 LYS N N 316 127.250 127.250 125.677 1.573 17812 2216 1 7 . 1 1 316 316 LYS HA H 316 4.005 4.005 4.375 -0.370 17812 2217 1 7 . 1 1 316 316 LYS C C 316 176.341 176.341 177.223 -0.882 17812 2218 1 7 . 1 1 316 316 LYS CA C 316 58.026 58.026 57.819 0.207 17812 2219 1 7 . 1 1 316 316 LYS CB C 316 32.116 32.116 32.726 -0.610 17812 2220 1 7 . 1 1 316 316 LYS H H 316 8.951 8.951 8.643 0.308 17812 2221 1 7 . 1 1 317 317 HIS N N 317 121.622 121.622 117.981 3.641 17812 2222 1 7 . 1 1 317 317 HIS HA H 317 4.367 4.367 4.534 -0.167 17812 2223 1 7 . 1 1 317 317 HIS C C 317 176.348 176.348 177.326 -0.978 17812 2224 1 7 . 1 1 317 317 HIS CA C 317 59.351 59.351 58.709 0.642 17812 2225 1 7 . 1 1 317 317 HIS CB C 317 31.034 31.034 29.539 1.495 17812 2226 1 7 . 1 1 317 317 HIS H H 317 8.882 8.882 8.130 0.752 17812 2227 1 7 . 1 1 318 318 CYS N N 318 115.222 115.222 117.062 -1.840 17812 2228 1 7 . 1 1 318 318 CYS HA H 318 4.839 4.839 4.293 0.546 17812 2229 1 7 . 1 1 318 318 CYS C C 318 176.909 176.909 175.896 1.013 17812 2230 1 7 . 1 1 318 318 CYS CA C 318 58.040 58.040 61.398 -3.358 17812 2231 1 7 . 1 1 318 318 CYS CB C 318 31.925 31.925 26.154 5.771 17812 2232 1 7 . 1 1 318 318 CYS H H 318 8.081 8.081 8.036 0.045 17812 2233 1 7 . 1 1 319 319 LYS N N 319 119.827 119.827 118.330 1.497 17812 2234 1 7 . 1 1 319 319 LYS HA H 319 3.886 3.886 4.037 -0.151 17812 2235 1 7 . 1 1 319 319 LYS C C 319 174.670 174.670 178.591 -3.921 17812 2236 1 7 . 1 1 319 319 LYS CA C 319 57.728 57.728 58.839 -1.111 17812 2237 1 7 . 1 1 319 319 LYS CB C 319 28.902 28.902 32.063 -3.161 17812 2238 1 7 . 1 1 319 319 LYS H H 319 7.895 7.895 7.523 0.372 17812 2239 1 7 . 1 1 320 320 ASP N N 320 117.610 117.610 119.696 -2.086 17812 2240 1 7 . 1 1 320 320 ASP HA H 320 4.206 4.206 4.473 -0.267 17812 2241 1 7 . 1 1 320 320 ASP C C 320 174.861 174.861 176.082 -1.221 17812 2242 1 7 . 1 1 320 320 ASP CA C 320 54.551 54.551 56.487 -1.936 17812 2243 1 7 . 1 1 320 320 ASP CB C 320 38.354 38.354 41.196 -2.842 17812 2244 1 7 . 1 1 320 320 ASP H H 320 8.873 8.873 7.879 0.994 17812 2245 1 7 . 1 1 321 321 ASP N N 321 118.813 118.813 117.116 1.697 17812 2246 1 7 . 1 1 321 321 ASP HA H 321 4.595 4.595 4.840 -0.245 17812 2247 1 7 . 1 1 321 321 ASP C C 321 176.386 176.386 176.003 0.383 17812 2248 1 7 . 1 1 321 321 ASP CA C 321 53.781 53.781 53.462 0.320 17812 2249 1 7 . 1 1 321 321 ASP CB C 321 40.782 40.782 40.083 0.699 17812 2250 1 7 . 1 1 321 321 ASP H H 321 7.212 7.212 7.514 -0.302 17812 2251 1 7 . 1 1 322 322 VAL N N 322 122.228 122.228 121.511 0.717 17812 2252 1 7 . 1 1 322 322 VAL HA H 322 3.866 3.866 3.614 0.253 17812 2253 1 7 . 1 1 322 322 VAL CA C 322 63.885 63.885 65.727 -1.842 17812 2254 1 7 . 1 1 322 322 VAL CB C 322 31.385 31.385 32.083 -0.698 17812 2255 1 7 . 1 1 322 322 VAL H H 322 8.060 8.060 8.210 -0.150 17812 2256 1 7 . 1 1 323 323 ASN N N 323 117.787 117.787 114.825 2.962 17812 2257 1 7 . 1 1 323 323 ASN HA H 323 4.710 4.710 4.513 0.197 17812 2258 1 7 . 1 1 323 323 ASN CA C 323 54.065 54.065 54.137 -0.072 17812 2259 1 7 . 1 1 323 323 ASN CB C 323 38.876 38.876 38.283 0.593 17812 2260 1 7 . 1 1 323 323 ASN H H 323 8.486 8.486 8.217 0.269 17812 2261 1 7 . 1 1 324 324 ARG N N 324 120.106 120.106 121.603 -1.497 17812 2262 1 7 . 1 1 324 324 ARG HA H 324 4.632 4.632 4.272 0.360 17812 2263 1 7 . 1 1 324 324 ARG C C 324 175.881 175.881 175.192 0.689 17812 2264 1 7 . 1 1 324 324 ARG CA C 324 54.488 54.488 55.946 -1.458 17812 2265 1 7 . 1 1 324 324 ARG CB C 324 32.709 32.709 31.340 1.369 17812 2266 1 7 . 1 1 324 324 ARG H H 324 7.955 7.955 7.665 0.290 17812 2267 1 7 . 1 1 325 325 LEU N N 325 123.983 123.983 123.210 0.773 17812 2268 1 7 . 1 1 325 325 LEU HA H 325 4.422 4.422 4.436 -0.014 17812 2269 1 7 . 1 1 325 325 LEU C C 325 177.647 177.647 176.417 1.230 17812 2270 1 7 . 1 1 325 325 LEU CA C 325 54.910 54.910 55.143 -0.233 17812 2271 1 7 . 1 1 325 325 LEU CB C 325 42.720 42.720 43.208 -0.487 17812 2272 1 7 . 1 1 325 325 LEU H H 325 8.423 8.423 8.176 0.247 17812 2273 1 7 . 1 1 326 326 CYS N N 326 123.693 123.693 124.507 -0.814 17812 2274 1 7 . 1 1 326 326 CYS HA H 326 4.474 4.474 4.793 -0.319 17812 2275 1 7 . 1 1 326 326 CYS C C 326 174.472 174.472 175.769 -1.297 17812 2276 1 7 . 1 1 326 326 CYS CA C 326 60.503 60.503 57.130 3.373 17812 2277 1 7 . 1 1 326 326 CYS CB C 326 32.551 32.551 30.526 2.026 17812 2278 1 7 . 1 1 326 326 CYS H H 326 9.277 9.277 8.545 0.732 17812 2279 1 7 . 1 1 327 327 ARG N N 327 126.881 126.881 124.203 2.678 17812 2280 1 7 . 1 1 327 327 ARG HA H 327 4.579 4.579 4.063 0.516 17812 2281 1 7 . 1 1 327 327 ARG C C 327 175.128 175.128 177.827 -2.699 17812 2282 1 7 . 1 1 327 327 ARG CA C 327 56.522 56.522 58.725 -2.203 17812 2283 1 7 . 1 1 327 327 ARG CB C 327 29.116 29.116 30.031 -0.915 17812 2284 1 7 . 1 1 327 327 ARG H H 327 8.880 8.880 8.710 0.170 17812 2285 1 7 . 1 1 328 328 VAL N N 328 123.112 123.112 117.981 5.131 17812 2286 1 7 . 1 1 328 328 VAL HA H 328 4.139 4.139 3.825 0.314 17812 2287 1 7 . 1 1 328 328 VAL C C 328 176.618 176.618 176.841 -0.223 17812 2288 1 7 . 1 1 328 328 VAL CA C 328 65.790 65.790 65.095 0.695 17812 2289 1 7 . 1 1 328 328 VAL CB C 328 32.296 32.296 31.814 0.482 17812 2290 1 7 . 1 1 328 328 VAL H H 328 9.058 9.058 7.831 1.227 17812 2291 1 7 . 1 1 329 329 CYS N N 329 117.822 117.822 116.794 1.028 17812 2292 1 7 . 1 1 329 329 CYS HA H 329 4.975 4.975 4.761 0.214 17812 2293 1 7 . 1 1 329 329 CYS C C 329 174.466 174.466 172.893 1.573 17812 2294 1 7 . 1 1 329 329 CYS CA C 329 58.446 58.446 56.250 2.196 17812 2295 1 7 . 1 1 329 329 CYS CB C 329 31.850 31.850 25.911 5.939 17812 2296 1 7 . 1 1 329 329 CYS H H 329 8.372 8.372 7.752 0.620 17812 2297 1 7 . 1 1 330 330 ALA N N 330 130.671 130.671 123.645 7.026 17812 2298 1 7 . 1 1 330 330 ALA HA H 330 4.575 4.575 4.551 0.024 17812 2299 1 7 . 1 1 330 330 ALA C C 330 175.000 175.000 175.328 -0.328 17812 2300 1 7 . 1 1 330 330 ALA CA C 330 50.393 50.393 50.889 -0.496 17812 2301 1 7 . 1 1 330 330 ALA CB C 330 19.244 19.244 21.292 -2.048 17812 2302 1 7 . 1 1 330 330 ALA H H 330 7.030 7.030 7.656 -0.626 17812 2303 1 7 . 1 1 331 331 CYS N N 331 118.585 118.585 119.603 -1.018 17812 2304 1 7 . 1 1 331 331 CYS HA H 331 3.587 3.587 4.481 -0.894 17812 2305 1 7 . 1 1 331 331 CYS C C 331 177.953 177.953 176.537 1.416 17812 2306 1 7 . 1 1 331 331 CYS CA C 331 60.241 60.241 59.864 0.377 17812 2307 1 7 . 1 1 331 331 CYS CB C 331 30.524 30.524 27.993 2.531 17812 2308 1 7 . 1 1 331 331 CYS H H 331 7.081 7.081 8.626 -1.545 17812 2309 1 7 . 1 1 332 332 HIS N N 332 127.546 127.546 126.220 1.326 17812 2310 1 7 . 1 1 332 332 HIS HA H 332 4.752 4.752 4.264 0.488 17812 2311 1 7 . 1 1 332 332 HIS C C 332 174.236 174.236 175.303 -1.067 17812 2312 1 7 . 1 1 332 332 HIS CA C 332 56.287 56.287 58.994 -2.707 17812 2313 1 7 . 1 1 332 332 HIS CB C 332 28.769 28.769 29.715 -0.946 17812 2314 1 7 . 1 1 332 332 HIS H H 332 9.757 9.757 8.826 0.931 17812 2315 1 7 . 1 1 333 333 LEU N N 333 118.061 118.061 116.319 1.742 17812 2316 1 7 . 1 1 333 333 LEU HA H 333 4.580 4.580 4.185 0.395 17812 2317 1 7 . 1 1 333 333 LEU C C 333 177.564 177.564 178.313 -0.749 17812 2318 1 7 . 1 1 333 333 LEU CA C 333 56.046 56.046 55.387 0.659 17812 2319 1 7 . 1 1 333 333 LEU CB C 333 42.986 42.986 42.725 0.261 17812 2320 1 7 . 1 1 333 333 LEU H H 333 8.773 8.773 7.558 1.215 17812 2321 1 7 . 1 1 334 334 CYS N N 334 118.393 118.393 115.693 2.700 17812 2322 1 7 . 1 1 334 334 CYS HA H 334 5.084 5.084 4.370 0.714 17812 2323 1 7 . 1 1 334 334 CYS C C 334 176.736 176.736 176.253 0.483 17812 2324 1 7 . 1 1 334 334 CYS CA C 334 58.973 58.973 60.083 -1.110 17812 2325 1 7 . 1 1 334 334 CYS CB C 334 32.481 32.481 27.459 5.022 17812 2326 1 7 . 1 1 334 334 CYS H H 334 8.310 8.310 8.364 -0.054 17812 2327 1 7 . 1 1 335 335 GLY N N 335 115.992 115.992 109.924 6.068 17812 2328 1 7 . 1 1 335 335 GLY C C 335 172.059 172.059 174.786 -2.727 17812 2329 1 7 . 1 1 335 335 GLY CA C 335 45.652 45.652 44.932 0.720 17812 2330 1 7 . 1 1 335 335 GLY H H 335 8.596 8.596 8.662 -0.066 17812 2331 1 7 . 1 1 336 336 GLY N N 336 111.360 111.360 107.512 3.848 17812 2332 1 7 . 1 1 336 336 GLY C C 336 174.101 174.101 173.018 1.083 17812 2333 1 7 . 1 1 336 336 GLY CA C 336 44.987 44.987 44.130 0.857 17812 2334 1 7 . 1 1 336 336 GLY H H 336 9.594 9.594 7.912 1.682 17812 2335 1 7 . 1 1 337 337 ARG N N 337 118.859 118.859 119.390 -0.531 17812 2336 1 7 . 1 1 337 337 ARG HA H 337 4.413 4.413 4.650 -0.237 17812 2337 1 7 . 1 1 337 337 ARG C C 337 177.635 177.635 175.046 2.589 17812 2338 1 7 . 1 1 337 337 ARG CA C 337 55.364 55.364 55.608 -0.244 17812 2339 1 7 . 1 1 337 337 ARG CB C 337 31.337 31.337 30.775 0.562 17812 2340 1 7 . 1 1 337 337 ARG H H 337 8.827 8.827 8.431 0.396 17812 2341 1 7 . 1 1 338 338 GLN N N 338 120.950 120.950 122.419 -1.469 17812 2342 1 7 . 1 1 338 338 GLN HA H 338 4.376 4.376 4.461 -0.085 17812 2343 1 7 . 1 1 338 338 GLN C C 338 176.420 176.420 175.290 1.130 17812 2344 1 7 . 1 1 338 338 GLN CA C 338 55.694 55.694 55.310 0.384 17812 2345 1 7 . 1 1 338 338 GLN CB C 338 28.096 28.096 30.262 -2.167 17812 2346 1 7 . 1 1 338 338 GLN H H 338 9.568 9.568 8.711 0.857 17812 2347 1 7 . 1 1 339 339 ASP N N 339 117.880 117.880 124.056 -6.176 17812 2348 1 7 . 1 1 339 339 ASP HA H 339 4.625 4.625 4.391 0.234 17812 2349 1 7 . 1 1 339 339 ASP CA C 339 55.283 55.283 54.673 0.610 17812 2350 1 7 . 1 1 339 339 ASP CB C 339 41.092 41.092 40.177 0.915 17812 2351 1 7 . 1 1 339 339 ASP H H 339 9.681 9.681 8.879 0.802 17812 2352 1 7 . 1 1 340 340 PRO HA H 340 4.140 4.140 3.946 0.194 17812 2353 1 7 . 1 1 340 340 PRO C C 340 177.463 177.463 177.753 -0.290 17812 2354 1 7 . 1 1 340 340 PRO CA C 340 65.883 65.883 64.695 1.188 17812 2355 1 7 . 1 1 340 340 PRO CB C 340 30.045 30.045 31.662 -1.617 17812 2356 1 7 . 1 1 341 341 ASP N N 341 115.117 115.117 116.042 -0.925 17812 2357 1 7 . 1 1 341 341 ASP HA H 341 4.642 4.642 4.399 0.243 17812 2358 1 7 . 1 1 341 341 ASP C C 341 175.663 175.663 176.958 -1.295 17812 2359 1 7 . 1 1 341 341 ASP CA C 341 54.735 54.735 55.668 -0.933 17812 2360 1 7 . 1 1 341 341 ASP CB C 341 39.135 39.135 39.729 -0.594 17812 2361 1 7 . 1 1 341 341 ASP H H 341 9.176 9.176 8.640 0.536 17812 2362 1 7 . 1 1 342 342 LYS N N 342 117.582 117.582 116.512 1.070 17812 2363 1 7 . 1 1 342 342 LYS HA H 342 4.351 4.351 4.303 0.048 17812 2364 1 7 . 1 1 342 342 LYS CA C 342 54.496 54.496 55.641 -1.145 17812 2365 1 7 . 1 1 342 342 LYS CB C 342 33.968 33.968 32.669 1.299 17812 2366 1 7 . 1 1 342 342 LYS H H 342 8.056 8.056 7.599 0.457 17812 2367 1 7 . 1 1 343 343 GLN N N 343 119.535 119.535 120.235 -0.700 17812 2368 1 7 . 1 1 343 343 GLN HA H 343 4.510 4.510 3.782 0.728 17812 2369 1 7 . 1 1 343 343 GLN C C 343 175.176 175.176 174.966 0.210 17812 2370 1 7 . 1 1 343 343 GLN CA C 343 54.652 54.652 55.065 -0.412 17812 2371 1 7 . 1 1 343 343 GLN CB C 343 29.270 29.270 28.765 0.505 17812 2372 1 7 . 1 1 343 343 GLN H H 343 7.174 7.174 7.176 -0.002 17812 2373 1 7 . 1 1 344 344 LEU N N 344 124.836 124.836 127.425 -2.589 17812 2374 1 7 . 1 1 344 344 LEU HA H 344 4.307 4.307 4.599 -0.292 17812 2375 1 7 . 1 1 344 344 LEU CA C 344 53.564 53.564 53.972 -0.408 17812 2376 1 7 . 1 1 344 344 LEU CB C 344 44.381 44.381 43.245 1.136 17812 2377 1 7 . 1 1 344 344 LEU H H 344 8.215 8.215 8.638 -0.423 17812 2378 1 7 . 1 1 345 345 MET N N 345 119.349 119.349 120.488 -1.139 17812 2379 1 7 . 1 1 345 345 MET HA H 345 5.433 5.433 5.380 0.053 17812 2380 1 7 . 1 1 345 345 MET C C 345 175.462 175.462 175.222 0.240 17812 2381 1 7 . 1 1 345 345 MET CA C 345 52.877 52.877 54.015 -1.138 17812 2382 1 7 . 1 1 345 345 MET CB C 345 32.312 32.312 35.989 -3.677 17812 2383 1 7 . 1 1 345 345 MET H H 345 8.086 8.086 8.335 -0.249 17812 2384 1 7 . 1 1 346 346 CYS N N 346 124.792 124.792 124.301 0.491 17812 2385 1 7 . 1 1 346 346 CYS HA H 346 4.751 4.751 4.935 -0.184 17812 2386 1 7 . 1 1 346 346 CYS C C 346 177.998 177.998 175.514 2.484 17812 2387 1 7 . 1 1 346 346 CYS CA C 346 60.088 60.088 57.526 2.562 17812 2388 1 7 . 1 1 346 346 CYS CB C 346 32.345 32.345 29.571 2.774 17812 2389 1 7 . 1 1 346 346 CYS H H 346 9.088 9.088 8.705 0.383 17812 2390 1 7 . 1 1 347 347 ASP N N 347 129.440 129.440 127.166 2.274 17812 2391 1 7 . 1 1 347 347 ASP HA H 347 4.624 4.624 4.695 -0.071 17812 2392 1 7 . 1 1 347 347 ASP C C 347 174.755 174.755 177.438 -2.683 17812 2393 1 7 . 1 1 347 347 ASP CA C 347 57.932 57.932 56.468 1.464 17812 2394 1 7 . 1 1 347 347 ASP CB C 347 41.115 41.115 40.827 0.288 17812 2395 1 7 . 1 1 347 347 ASP H H 347 9.154 9.154 8.712 0.442 17812 2396 1 7 . 1 1 348 348 GLU N N 348 124.253 124.253 117.806 6.447 17812 2397 1 7 . 1 1 348 348 GLU HA H 348 4.895 4.895 4.261 0.634 17812 2398 1 7 . 1 1 348 348 GLU C C 348 176.439 176.439 177.500 -1.061 17812 2399 1 7 . 1 1 348 348 GLU CA C 348 58.673 58.673 58.238 0.435 17812 2400 1 7 . 1 1 348 348 GLU CB C 348 30.510 30.510 29.831 0.679 17812 2401 1 7 . 1 1 348 348 GLU H H 348 9.615 9.615 8.721 0.894 17812 2402 1 7 . 1 1 349 349 CYS N N 349 119.153 119.153 116.824 2.329 17812 2403 1 7 . 1 1 349 349 CYS HA H 349 4.778 4.778 4.585 0.193 17812 2404 1 7 . 1 1 349 349 CYS CA C 349 60.216 60.216 58.292 1.924 17812 2405 1 7 . 1 1 349 349 CYS CB C 349 32.008 32.008 28.510 3.498 17812 2406 1 7 . 1 1 349 349 CYS H H 349 8.522 8.522 7.698 0.824 17812 2407 1 7 . 1 1 350 350 ASP N N 350 115.218 115.218 119.708 -4.490 17812 2408 1 7 . 1 1 350 350 ASP HA H 350 4.492 4.492 4.382 0.110 17812 2409 1 7 . 1 1 350 350 ASP CA C 350 55.086 55.086 55.518 -0.432 17812 2410 1 7 . 1 1 350 350 ASP CB C 350 41.386 41.386 38.355 3.030 17812 2411 1 7 . 1 1 350 350 ASP H H 350 7.813 7.813 8.705 -0.892 17812 2412 1 7 . 1 1 351 351 MET N N 351 117.029 117.029 115.938 1.091 17812 2413 1 7 . 1 1 351 351 MET HA H 351 4.520 4.520 4.719 -0.199 17812 2414 1 7 . 1 1 351 351 MET C C 351 173.497 173.497 174.588 -1.091 17812 2415 1 7 . 1 1 351 351 MET CA C 351 54.706 54.706 54.415 0.291 17812 2416 1 7 . 1 1 351 351 MET CB C 351 34.605 34.605 36.956 -2.350 17812 2417 1 7 . 1 1 351 351 MET H H 351 8.162 8.162 7.402 0.760 17812 2418 1 7 . 1 1 352 352 ALA N N 352 123.068 123.068 121.891 1.177 17812 2419 1 7 . 1 1 352 352 ALA HA H 352 5.528 5.528 5.628 -0.100 17812 2420 1 7 . 1 1 352 352 ALA C C 352 177.545 177.545 176.469 1.076 17812 2421 1 7 . 1 1 352 352 ALA CA C 352 49.943 49.943 50.463 -0.520 17812 2422 1 7 . 1 1 352 352 ALA CB C 352 22.111 22.111 21.190 0.921 17812 2423 1 7 . 1 1 352 352 ALA H H 352 8.499 8.499 8.603 -0.104 17812 2424 1 7 . 1 1 353 353 PHE N N 353 116.057 116.057 118.207 -2.150 17812 2425 1 7 . 1 1 353 353 PHE HA H 353 5.106 5.106 4.931 0.175 17812 2426 1 7 . 1 1 353 353 PHE C C 353 176.868 176.868 176.707 0.161 17812 2427 1 7 . 1 1 353 353 PHE CA C 353 56.416 56.416 57.383 -0.967 17812 2428 1 7 . 1 1 353 353 PHE CB C 353 43.111 43.111 43.456 -0.346 17812 2429 1 7 . 1 1 353 353 PHE H H 353 9.164 9.164 8.293 0.871 17812 2430 1 7 . 1 1 354 354 HIS N N 354 124.053 124.053 122.216 1.837 17812 2431 1 7 . 1 1 354 354 HIS HA H 354 4.650 4.650 4.197 0.453 17812 2432 1 7 . 1 1 354 354 HIS C C 354 180.505 180.505 176.854 3.651 17812 2433 1 7 . 1 1 354 354 HIS CA C 354 58.931 58.931 57.371 1.560 17812 2434 1 7 . 1 1 354 354 HIS CB C 354 31.235 31.235 29.694 1.541 17812 2435 1 7 . 1 1 354 354 HIS H H 354 9.388 9.388 9.091 0.297 17812 2436 1 7 . 1 1 355 355 ILE N N 355 115.081 115.081 116.998 -1.917 17812 2437 1 7 . 1 1 355 355 ILE HA H 355 3.928 3.928 3.665 0.263 17812 2438 1 7 . 1 1 355 355 ILE C C 355 175.451 175.451 175.473 -0.022 17812 2439 1 7 . 1 1 355 355 ILE CA C 355 65.726 65.726 63.660 2.066 17812 2440 1 7 . 1 1 355 355 ILE CB C 355 36.292 36.292 36.830 -0.538 17812 2441 1 7 . 1 1 355 355 ILE H H 355 8.568 8.568 8.323 0.245 17812 2442 1 7 . 1 1 356 356 TYR N N 356 110.787 110.787 112.735 -1.948 17812 2443 1 7 . 1 1 356 356 TYR HA H 356 4.801 4.801 4.697 0.104 17812 2444 1 7 . 1 1 356 356 TYR C C 356 177.073 177.073 175.399 1.674 17812 2445 1 7 . 1 1 356 356 TYR CA C 356 55.362 55.362 57.672 -2.311 17812 2446 1 7 . 1 1 356 356 TYR CB C 356 36.767 36.767 38.541 -1.774 17812 2447 1 7 . 1 1 356 356 TYR H H 356 6.117 6.117 7.412 -1.295 17812 2448 1 7 . 1 1 357 357 CYS N N 357 121.584 121.584 117.656 3.928 17812 2449 1 7 . 1 1 357 357 CYS HA H 357 4.537 4.537 3.764 0.773 17812 2450 1 7 . 1 1 357 357 CYS C C 357 174.868 174.868 175.453 -0.585 17812 2451 1 7 . 1 1 357 357 CYS CA C 357 62.349 62.349 59.213 3.136 17812 2452 1 7 . 1 1 357 357 CYS CB C 357 31.087 31.087 25.794 5.293 17812 2453 1 7 . 1 1 357 357 CYS H H 357 7.603 7.603 6.445 1.158 17812 2454 1 7 . 1 1 358 358 LEU N N 358 119.134 119.134 121.152 -2.018 17812 2455 1 7 . 1 1 358 358 LEU HA H 358 4.040 4.040 4.257 -0.217 17812 2456 1 7 . 1 1 358 358 LEU CA C 358 55.465 55.465 55.165 0.300 17812 2457 1 7 . 1 1 358 358 LEU CB C 358 44.020 44.020 42.042 1.978 17812 2458 1 7 . 1 1 358 358 LEU H H 358 6.387 6.387 7.390 -1.003 17812 2459 1 7 . 1 1 359 359 ASP N N 359 117.020 117.020 122.036 -5.016 17812 2460 1 7 . 1 1 359 359 ASP HA H 359 4.985 4.985 4.513 0.472 17812 2461 1 7 . 1 1 359 359 ASP CA C 359 50.354 50.354 56.478 -6.124 17812 2462 1 7 . 1 1 359 359 ASP CB C 359 43.465 43.465 39.672 3.793 17812 2463 1 7 . 1 1 359 359 ASP H H 359 8.167 8.167 8.476 -0.309 17812 2464 1 7 . 1 1 360 360 PRO HA H 360 5.202 5.202 4.560 0.642 17812 2465 1 7 . 1 1 360 360 PRO CA C 360 62.131 62.131 62.102 0.029 17812 2466 1 7 . 1 1 360 360 PRO CB C 360 33.173 33.173 31.269 1.904 17812 2467 1 7 . 1 1 361 361 PRO HA H 361 4.462 4.462 4.519 -0.057 17812 2468 1 7 . 1 1 361 361 PRO C C 361 177.733 177.733 177.102 0.631 17812 2469 1 7 . 1 1 361 361 PRO CA C 361 63.068 63.068 62.099 0.969 17812 2470 1 7 . 1 1 361 361 PRO CB C 361 32.301 32.301 32.889 -0.588 17812 2471 1 7 . 1 1 362 362 LEU N N 362 121.043 121.043 121.178 -0.135 17812 2472 1 7 . 1 1 362 362 LEU HA H 362 4.761 4.761 4.413 0.348 17812 2473 1 7 . 1 1 362 362 LEU C C 362 177.392 177.392 177.982 -0.590 17812 2474 1 7 . 1 1 362 362 LEU CA C 362 53.621 53.621 54.730 -1.109 17812 2475 1 7 . 1 1 362 362 LEU CB C 362 43.759 43.759 42.228 1.531 17812 2476 1 7 . 1 1 362 362 LEU H H 362 7.798 7.798 8.351 -0.553 17812 2477 1 7 . 1 1 363 363 SER N N 363 115.324 115.324 115.729 -0.405 17812 2478 1 7 . 1 1 363 363 SER HA H 363 4.377 4.377 4.349 0.028 17812 2479 1 7 . 1 1 363 363 SER C C 363 174.070 174.070 174.225 -0.155 17812 2480 1 7 . 1 1 363 363 SER CA C 363 59.341 59.341 59.966 -0.625 17812 2481 1 7 . 1 1 363 363 SER CB C 363 63.871 63.871 63.578 0.293 17812 2482 1 7 . 1 1 363 363 SER H H 363 8.899 8.899 8.477 0.422 17812 2483 1 7 . 1 1 364 364 SER N N 364 112.898 112.898 114.592 -1.694 17812 2484 1 7 . 1 1 364 364 SER HA H 364 4.451 4.451 4.616 -0.165 17812 2485 1 7 . 1 1 364 364 SER C C 364 173.066 173.066 172.516 0.550 17812 2486 1 7 . 1 1 364 364 SER CA C 364 56.852 56.852 57.559 -0.707 17812 2487 1 7 . 1 1 364 364 SER CB C 364 65.197 65.197 65.835 -0.638 17812 2488 1 7 . 1 1 364 364 SER H H 364 7.460 7.460 7.645 -0.185 17812 2489 1 7 . 1 1 365 365 VAL N N 365 123.433 123.433 122.680 0.753 17812 2490 1 7 . 1 1 365 365 VAL HA H 365 3.820 3.820 4.363 -0.543 17812 2491 1 7 . 1 1 365 365 VAL CA C 365 61.613 61.613 59.251 2.362 17812 2492 1 7 . 1 1 365 365 VAL CB C 365 32.428 32.428 33.855 -1.427 17812 2493 1 7 . 1 1 365 365 VAL H H 365 8.695 8.695 8.327 0.368 17812 2494 1 7 . 1 1 366 366 PRO HA H 366 4.457 4.457 4.713 -0.256 17812 2495 1 7 . 1 1 366 366 PRO C C 366 175.679 175.679 175.975 -0.296 17812 2496 1 7 . 1 1 366 366 PRO CA C 366 63.224 63.224 62.876 0.348 17812 2497 1 7 . 1 1 366 366 PRO CB C 366 32.526 32.526 32.704 -0.178 17812 2498 1 7 . 1 1 367 367 SER N N 367 116.079 116.079 118.427 -2.348 17812 2499 1 7 . 1 1 367 367 SER HA H 367 4.456 4.456 4.448 0.008 17812 2500 1 7 . 1 1 367 367 SER C C 367 174.796 174.796 175.938 -1.142 17812 2501 1 7 . 1 1 367 367 SER CA C 367 58.855 58.855 59.599 -0.744 17812 2502 1 7 . 1 1 367 367 SER CB C 367 64.091 64.091 64.316 -0.225 17812 2503 1 7 . 1 1 367 367 SER H H 367 8.648 8.648 8.633 0.015 17812 2504 1 7 . 1 1 368 368 GLU N N 368 122.642 122.642 120.683 1.959 17812 2505 1 7 . 1 1 368 368 GLU HA H 368 4.275 4.275 4.218 0.057 17812 2506 1 7 . 1 1 368 368 GLU CA C 368 57.631 57.631 57.422 0.209 17812 2507 1 7 . 1 1 368 368 GLU CB C 368 30.124 30.124 29.992 0.132 17812 2508 1 7 . 1 1 368 368 GLU H H 368 8.629 8.629 8.486 0.143 17812 2509 1 7 . 1 1 369 369 ASP N N 369 120.686 120.686 120.308 0.378 17812 2510 1 7 . 1 1 369 369 ASP HA H 369 4.332 4.332 4.634 -0.302 17812 2511 1 7 . 1 1 369 369 ASP CA C 369 57.181 57.181 53.621 3.560 17812 2512 1 7 . 1 1 369 369 ASP CB C 369 41.404 41.404 40.698 0.706 17812 2513 1 7 . 1 1 369 369 ASP H H 369 8.614 8.614 8.056 0.558 17812 2514 1 7 . 1 1 370 370 GLU N N 370 115.631 115.631 123.449 -7.818 17812 2515 1 7 . 1 1 370 370 GLU HA H 370 4.861 4.861 4.204 0.657 17812 2516 1 7 . 1 1 370 370 GLU C C 370 175.047 175.047 175.909 -0.862 17812 2517 1 7 . 1 1 370 370 GLU CA C 370 54.687 54.687 56.702 -2.015 17812 2518 1 7 . 1 1 370 370 GLU CB C 370 32.837 32.837 30.193 2.644 17812 2519 1 7 . 1 1 370 370 GLU H H 370 7.823 7.823 8.634 -0.811 17812 2520 1 7 . 1 1 371 371 TRP N N 371 124.056 124.056 125.475 -1.419 17812 2521 1 7 . 1 1 371 371 TRP HA H 371 4.311 4.311 4.710 -0.399 17812 2522 1 7 . 1 1 371 371 TRP C C 371 171.586 171.586 173.646 -2.060 17812 2523 1 7 . 1 1 371 371 TRP CA C 371 59.845 59.845 56.461 3.384 17812 2524 1 7 . 1 1 371 371 TRP CB C 371 31.317 31.317 30.269 1.048 17812 2525 1 7 . 1 1 371 371 TRP H H 371 9.205 9.205 8.600 0.605 17812 2526 1 7 . 1 1 372 372 TYR N N 372 122.933 122.933 124.078 -1.145 17812 2527 1 7 . 1 1 372 372 TYR HA H 372 5.217 5.217 4.072 1.145 17812 2528 1 7 . 1 1 372 372 TYR C C 372 173.821 173.821 174.808 -0.987 17812 2529 1 7 . 1 1 372 372 TYR CA C 372 54.963 54.963 56.116 -1.153 17812 2530 1 7 . 1 1 372 372 TYR CB C 372 41.593 41.593 40.616 0.977 17812 2531 1 7 . 1 1 372 372 TYR H H 372 6.907 6.907 7.904 -0.997 17812 2532 1 7 . 1 1 373 373 CYS N N 373 127.647 127.647 121.828 5.819 17812 2533 1 7 . 1 1 373 373 CYS HA H 373 3.530 3.530 4.039 -0.509 17812 2534 1 7 . 1 1 373 373 CYS CA C 373 57.539 57.539 55.378 2.161 17812 2535 1 7 . 1 1 373 373 CYS CB C 373 30.549 30.549 27.001 3.548 17812 2536 1 7 . 1 1 373 373 CYS H H 373 9.310 9.310 8.283 1.027 17812 2537 1 7 . 1 1 374 374 PRO HA H 374 3.987 3.987 4.061 -0.074 17812 2538 1 7 . 1 1 374 374 PRO C C 374 178.008 178.008 178.828 -0.820 17812 2539 1 7 . 1 1 374 374 PRO CA C 374 65.504 65.504 65.395 0.109 17812 2540 1 7 . 1 1 374 374 PRO CB C 374 32.293 32.293 31.884 0.409 17812 2541 1 7 . 1 1 375 375 GLU N N 375 116.759 116.759 118.220 -1.461 17812 2542 1 7 . 1 1 375 375 GLU HA H 375 4.237 4.237 4.119 0.118 17812 2543 1 7 . 1 1 375 375 GLU C C 375 177.054 177.054 177.393 -0.339 17812 2544 1 7 . 1 1 375 375 GLU CA C 375 58.479 58.479 59.092 -0.613 17812 2545 1 7 . 1 1 375 375 GLU CB C 375 30.939 30.939 29.695 1.244 17812 2546 1 7 . 1 1 375 375 GLU H H 375 8.111 8.111 8.854 -0.743 17812 2547 1 7 . 1 1 376 376 CYS N N 376 122.642 122.642 114.098 8.544 17812 2548 1 7 . 1 1 376 376 CYS HA H 376 4.055 4.055 4.394 -0.339 17812 2549 1 7 . 1 1 376 376 CYS CA C 376 62.498 62.498 58.860 3.638 17812 2550 1 7 . 1 1 376 376 CYS CB C 376 31.379 31.379 26.388 4.991 17812 2551 1 7 . 1 1 376 376 CYS H H 376 8.075 8.075 7.756 0.319 17812 2552 1 7 . 1 1 377 377 ARG N N 377 117.680 117.680 120.822 -3.142 17812 2553 1 7 . 1 1 377 377 ARG HA H 377 3.948 3.948 4.088 -0.140 17812 2554 1 7 . 1 1 377 377 ARG C C 377 56.425 56.425 176.789 -120.364 17812 2555 1 7 . 1 1 377 377 ARG CB C 377 30.678 30.678 29.952 0.726 17812 2556 1 7 . 1 1 377 377 ARG H H 377 7.856 7.856 7.562 0.294 17812 2557 1 7 . 1 1 378 378 ASN N N 378 119.726 119.726 113.678 6.048 17812 2558 1 7 . 1 1 378 378 ASN HA H 378 4.695 4.695 4.350 0.345 17812 2559 1 7 . 1 1 378 378 ASN C C 378 173.554 173.554 174.554 -1.000 17812 2560 1 7 . 1 1 378 378 ASN CA C 378 53.204 53.204 54.650 -1.446 17812 2561 1 7 . 1 1 378 378 ASN CB C 378 39.516 39.516 37.645 1.871 17812 2562 1 7 . 1 1 378 378 ASN H H 378 8.189 8.189 7.932 0.257 17812 2563 1 8 . 1 1 312 312 GLY N N 312 110.352 110.352 111.389 -1.037 17812 2564 1 8 . 1 1 312 312 GLY CA C 312 44.546 44.546 44.237 0.309 17812 2565 1 8 . 1 1 312 312 GLY H H 312 7.809 7.809 8.307 -0.498 17812 2566 1 8 . 1 1 313 313 PRO HA H 313 4.433 4.433 4.450 -0.017 17812 2567 1 8 . 1 1 313 313 PRO CA C 313 62.527 62.527 62.396 0.131 17812 2568 1 8 . 1 1 313 313 PRO CB C 313 31.680 31.680 32.984 -1.304 17812 2569 1 8 . 1 1 314 314 SER N N 314 120.711 120.711 115.218 5.493 17812 2570 1 8 . 1 1 314 314 SER HA H 314 4.331 4.331 4.175 0.156 17812 2571 1 8 . 1 1 314 314 SER C C 314 174.789 174.789 174.395 0.394 17812 2572 1 8 . 1 1 314 314 SER CA C 314 60.627 60.627 60.120 0.507 17812 2573 1 8 . 1 1 314 314 SER CB C 314 63.925 63.925 63.409 0.516 17812 2574 1 8 . 1 1 314 314 SER H H 314 10.435 10.435 8.497 1.938 17812 2575 1 8 . 1 1 315 315 CYS N N 315 125.240 125.240 120.050 5.190 17812 2576 1 8 . 1 1 315 315 CYS HA H 315 4.698 4.698 4.452 0.246 17812 2577 1 8 . 1 1 315 315 CYS C C 315 176.852 176.852 174.450 2.402 17812 2578 1 8 . 1 1 315 315 CYS CA C 315 58.281 58.281 57.309 0.972 17812 2579 1 8 . 1 1 315 315 CYS CB C 315 32.487 32.487 27.883 4.604 17812 2580 1 8 . 1 1 315 315 CYS H H 315 9.159 9.159 7.867 1.292 17812 2581 1 8 . 1 1 316 316 LYS N N 316 127.250 127.250 126.303 0.947 17812 2582 1 8 . 1 1 316 316 LYS HA H 316 4.005 4.005 4.393 -0.388 17812 2583 1 8 . 1 1 316 316 LYS C C 316 176.341 176.341 176.674 -0.333 17812 2584 1 8 . 1 1 316 316 LYS CA C 316 58.026 58.026 56.294 1.732 17812 2585 1 8 . 1 1 316 316 LYS CB C 316 32.116 32.116 32.370 -0.254 17812 2586 1 8 . 1 1 316 316 LYS H H 316 8.951 8.951 8.305 0.646 17812 2587 1 8 . 1 1 317 317 HIS N N 317 121.622 121.622 118.609 3.013 17812 2588 1 8 . 1 1 317 317 HIS HA H 317 4.367 4.367 4.517 -0.150 17812 2589 1 8 . 1 1 317 317 HIS C C 317 176.348 176.348 177.031 -0.683 17812 2590 1 8 . 1 1 317 317 HIS CA C 317 59.351 59.351 59.076 0.275 17812 2591 1 8 . 1 1 317 317 HIS CB C 317 31.034 31.034 29.635 1.399 17812 2592 1 8 . 1 1 317 317 HIS H H 317 8.882 8.882 7.116 1.766 17812 2593 1 8 . 1 1 318 318 CYS N N 318 115.222 115.222 115.850 -0.628 17812 2594 1 8 . 1 1 318 318 CYS HA H 318 4.839 4.839 4.345 0.494 17812 2595 1 8 . 1 1 318 318 CYS C C 318 176.909 176.909 176.118 0.791 17812 2596 1 8 . 1 1 318 318 CYS CA C 318 58.040 58.040 60.477 -2.438 17812 2597 1 8 . 1 1 318 318 CYS CB C 318 31.925 31.925 26.315 5.610 17812 2598 1 8 . 1 1 318 318 CYS H H 318 8.081 8.081 8.268 -0.187 17812 2599 1 8 . 1 1 319 319 LYS N N 319 119.827 119.827 120.850 -1.023 17812 2600 1 8 . 1 1 319 319 LYS HA H 319 3.886 3.886 3.963 -0.077 17812 2601 1 8 . 1 1 319 319 LYS C C 319 174.670 174.670 178.754 -4.084 17812 2602 1 8 . 1 1 319 319 LYS CA C 319 57.728 57.728 59.399 -1.671 17812 2603 1 8 . 1 1 319 319 LYS CB C 319 28.902 28.902 32.089 -3.187 17812 2604 1 8 . 1 1 319 319 LYS H H 319 7.895 7.895 7.987 -0.092 17812 2605 1 8 . 1 1 320 320 ASP N N 320 117.610 117.610 118.060 -0.450 17812 2606 1 8 . 1 1 320 320 ASP HA H 320 4.206 4.206 4.455 -0.249 17812 2607 1 8 . 1 1 320 320 ASP C C 320 174.861 174.861 176.695 -1.834 17812 2608 1 8 . 1 1 320 320 ASP CA C 320 54.551 54.551 56.389 -1.838 17812 2609 1 8 . 1 1 320 320 ASP CB C 320 38.354 38.354 40.890 -2.536 17812 2610 1 8 . 1 1 320 320 ASP H H 320 8.873 8.873 7.877 0.996 17812 2611 1 8 . 1 1 321 321 ASP N N 321 118.813 118.813 118.165 0.648 17812 2612 1 8 . 1 1 321 321 ASP HA H 321 4.595 4.595 4.858 -0.263 17812 2613 1 8 . 1 1 321 321 ASP C C 321 176.386 176.386 176.390 -0.004 17812 2614 1 8 . 1 1 321 321 ASP CA C 321 53.781 53.781 53.228 0.553 17812 2615 1 8 . 1 1 321 321 ASP CB C 321 40.782 40.782 40.244 0.538 17812 2616 1 8 . 1 1 321 321 ASP H H 321 7.212 7.212 7.547 -0.335 17812 2617 1 8 . 1 1 322 322 VAL N N 322 122.228 122.228 120.372 1.856 17812 2618 1 8 . 1 1 322 322 VAL HA H 322 3.866 3.866 3.704 0.162 17812 2619 1 8 . 1 1 322 322 VAL CA C 322 63.885 63.885 65.410 -1.525 17812 2620 1 8 . 1 1 322 322 VAL CB C 322 31.385 31.385 31.994 -0.609 17812 2621 1 8 . 1 1 322 322 VAL H H 322 8.060 8.060 7.800 0.260 17812 2622 1 8 . 1 1 323 323 ASN N N 323 117.787 117.787 116.132 1.655 17812 2623 1 8 . 1 1 323 323 ASN HA H 323 4.710 4.710 4.535 0.175 17812 2624 1 8 . 1 1 323 323 ASN CA C 323 54.065 54.065 54.561 -0.496 17812 2625 1 8 . 1 1 323 323 ASN CB C 323 38.876 38.876 38.360 0.516 17812 2626 1 8 . 1 1 323 323 ASN H H 323 8.486 8.486 8.537 -0.051 17812 2627 1 8 . 1 1 324 324 ARG N N 324 120.106 120.106 119.612 0.494 17812 2628 1 8 . 1 1 324 324 ARG HA H 324 4.632 4.632 4.458 0.174 17812 2629 1 8 . 1 1 324 324 ARG C C 324 175.881 175.881 175.278 0.603 17812 2630 1 8 . 1 1 324 324 ARG CA C 324 54.488 54.488 55.113 -0.625 17812 2631 1 8 . 1 1 324 324 ARG CB C 324 32.709 32.709 31.577 1.132 17812 2632 1 8 . 1 1 324 324 ARG H H 324 7.955 7.955 7.568 0.387 17812 2633 1 8 . 1 1 325 325 LEU N N 325 123.983 123.983 122.013 1.970 17812 2634 1 8 . 1 1 325 325 LEU HA H 325 4.422 4.422 4.460 -0.038 17812 2635 1 8 . 1 1 325 325 LEU C C 325 177.647 177.647 176.383 1.264 17812 2636 1 8 . 1 1 325 325 LEU CA C 325 54.910 54.910 54.686 0.224 17812 2637 1 8 . 1 1 325 325 LEU CB C 325 42.720 42.720 43.290 -0.570 17812 2638 1 8 . 1 1 325 325 LEU H H 325 8.423 8.423 8.243 0.180 17812 2639 1 8 . 1 1 326 326 CYS N N 326 123.693 123.693 126.682 -2.989 17812 2640 1 8 . 1 1 326 326 CYS HA H 326 4.474 4.474 4.709 -0.235 17812 2641 1 8 . 1 1 326 326 CYS C C 326 174.472 174.472 175.362 -0.890 17812 2642 1 8 . 1 1 326 326 CYS CA C 326 60.503 60.503 58.156 2.347 17812 2643 1 8 . 1 1 326 326 CYS CB C 326 32.551 32.551 27.351 5.200 17812 2644 1 8 . 1 1 326 326 CYS H H 326 9.277 9.277 8.835 0.442 17812 2645 1 8 . 1 1 327 327 ARG N N 327 126.881 126.881 126.303 0.578 17812 2646 1 8 . 1 1 327 327 ARG HA H 327 4.579 4.579 4.066 0.513 17812 2647 1 8 . 1 1 327 327 ARG C C 327 175.128 175.128 177.983 -2.855 17812 2648 1 8 . 1 1 327 327 ARG CA C 327 56.522 56.522 58.391 -1.869 17812 2649 1 8 . 1 1 327 327 ARG CB C 327 29.116 29.116 30.375 -1.259 17812 2650 1 8 . 1 1 327 327 ARG H H 327 8.880 8.880 8.729 0.151 17812 2651 1 8 . 1 1 328 328 VAL N N 328 123.112 123.112 117.775 5.337 17812 2652 1 8 . 1 1 328 328 VAL HA H 328 4.139 4.139 3.799 0.340 17812 2653 1 8 . 1 1 328 328 VAL C C 328 176.618 176.618 176.401 0.217 17812 2654 1 8 . 1 1 328 328 VAL CA C 328 65.790 65.790 64.859 0.931 17812 2655 1 8 . 1 1 328 328 VAL CB C 328 32.296 32.296 32.233 0.063 17812 2656 1 8 . 1 1 328 328 VAL H H 328 9.058 9.058 7.933 1.125 17812 2657 1 8 . 1 1 329 329 CYS N N 329 117.822 117.822 118.522 -0.700 17812 2658 1 8 . 1 1 329 329 CYS HA H 329 4.975 4.975 4.626 0.349 17812 2659 1 8 . 1 1 329 329 CYS C C 329 174.466 174.466 172.992 1.474 17812 2660 1 8 . 1 1 329 329 CYS CA C 329 58.446 58.446 57.325 1.121 17812 2661 1 8 . 1 1 329 329 CYS CB C 329 31.850 31.850 24.856 6.994 17812 2662 1 8 . 1 1 329 329 CYS H H 329 8.372 8.372 7.704 0.668 17812 2663 1 8 . 1 1 330 330 ALA N N 330 130.671 130.671 123.189 7.482 17812 2664 1 8 . 1 1 330 330 ALA HA H 330 4.575 4.575 4.519 0.056 17812 2665 1 8 . 1 1 330 330 ALA C C 330 175.000 175.000 175.213 -0.213 17812 2666 1 8 . 1 1 330 330 ALA CA C 330 50.393 50.393 51.057 -0.664 17812 2667 1 8 . 1 1 330 330 ALA CB C 330 19.244 19.244 20.700 -1.456 17812 2668 1 8 . 1 1 330 330 ALA H H 330 7.030 7.030 7.588 -0.558 17812 2669 1 8 . 1 1 331 331 CYS N N 331 118.585 118.585 119.679 -1.094 17812 2670 1 8 . 1 1 331 331 CYS HA H 331 3.587 3.587 4.597 -1.010 17812 2671 1 8 . 1 1 331 331 CYS C C 331 177.953 177.953 176.562 1.391 17812 2672 1 8 . 1 1 331 331 CYS CA C 331 60.241 60.241 59.834 0.407 17812 2673 1 8 . 1 1 331 331 CYS CB C 331 30.524 30.524 27.606 2.918 17812 2674 1 8 . 1 1 331 331 CYS H H 331 7.081 7.081 8.820 -1.739 17812 2675 1 8 . 1 1 332 332 HIS N N 332 127.546 127.546 126.722 0.824 17812 2676 1 8 . 1 1 332 332 HIS HA H 332 4.752 4.752 4.349 0.403 17812 2677 1 8 . 1 1 332 332 HIS C C 332 174.236 174.236 175.735 -1.499 17812 2678 1 8 . 1 1 332 332 HIS CA C 332 56.287 56.287 58.180 -1.893 17812 2679 1 8 . 1 1 332 332 HIS CB C 332 28.769 28.769 29.734 -0.965 17812 2680 1 8 . 1 1 332 332 HIS H H 332 9.757 9.757 9.038 0.719 17812 2681 1 8 . 1 1 333 333 LEU N N 333 118.061 118.061 118.298 -0.237 17812 2682 1 8 . 1 1 333 333 LEU HA H 333 4.580 4.580 4.180 0.400 17812 2683 1 8 . 1 1 333 333 LEU C C 333 177.564 177.564 176.147 1.417 17812 2684 1 8 . 1 1 333 333 LEU CA C 333 56.046 56.046 54.553 1.492 17812 2685 1 8 . 1 1 333 333 LEU CB C 333 42.986 42.986 42.697 0.290 17812 2686 1 8 . 1 1 333 333 LEU H H 333 8.773 8.773 7.671 1.102 17812 2687 1 8 . 1 1 334 334 CYS N N 334 118.393 118.393 116.261 2.132 17812 2688 1 8 . 1 1 334 334 CYS HA H 334 5.084 5.084 4.773 0.311 17812 2689 1 8 . 1 1 334 334 CYS C C 334 176.736 176.736 176.854 -0.118 17812 2690 1 8 . 1 1 334 334 CYS CA C 334 58.973 58.973 56.788 2.185 17812 2691 1 8 . 1 1 334 334 CYS CB C 334 32.481 32.481 28.063 4.418 17812 2692 1 8 . 1 1 334 334 CYS H H 334 8.310 8.310 7.782 0.528 17812 2693 1 8 . 1 1 335 335 GLY N N 335 115.992 115.992 111.131 4.861 17812 2694 1 8 . 1 1 335 335 GLY C C 335 172.059 172.059 175.085 -3.026 17812 2695 1 8 . 1 1 335 335 GLY CA C 335 45.652 45.652 47.208 -1.556 17812 2696 1 8 . 1 1 335 335 GLY H H 335 8.596 8.596 8.756 -0.160 17812 2697 1 8 . 1 1 336 336 GLY N N 336 111.360 111.360 107.919 3.441 17812 2698 1 8 . 1 1 336 336 GLY C C 336 174.101 174.101 174.417 -0.316 17812 2699 1 8 . 1 1 336 336 GLY CA C 336 44.987 44.987 44.794 0.193 17812 2700 1 8 . 1 1 336 336 GLY H H 336 9.594 9.594 7.717 1.877 17812 2701 1 8 . 1 1 337 337 ARG N N 337 118.859 118.859 120.099 -1.240 17812 2702 1 8 . 1 1 337 337 ARG HA H 337 4.413 4.413 3.921 0.492 17812 2703 1 8 . 1 1 337 337 ARG C C 337 177.635 177.635 174.307 3.328 17812 2704 1 8 . 1 1 337 337 ARG CA C 337 55.364 55.364 56.760 -1.396 17812 2705 1 8 . 1 1 337 337 ARG CB C 337 31.337 31.337 29.192 2.145 17812 2706 1 8 . 1 1 337 337 ARG H H 337 8.827 8.827 8.053 0.774 17812 2707 1 8 . 1 1 338 338 GLN N N 338 120.950 120.950 124.623 -3.673 17812 2708 1 8 . 1 1 338 338 GLN HA H 338 4.376 4.376 4.534 -0.158 17812 2709 1 8 . 1 1 338 338 GLN C C 338 176.420 176.420 175.052 1.368 17812 2710 1 8 . 1 1 338 338 GLN CA C 338 55.694 55.694 55.287 0.407 17812 2711 1 8 . 1 1 338 338 GLN CB C 338 28.096 28.096 30.841 -2.745 17812 2712 1 8 . 1 1 338 338 GLN H H 338 9.568 9.568 8.731 0.837 17812 2713 1 8 . 1 1 339 339 ASP N N 339 117.880 117.880 122.892 -5.012 17812 2714 1 8 . 1 1 339 339 ASP HA H 339 4.625 4.625 4.376 0.249 17812 2715 1 8 . 1 1 339 339 ASP CA C 339 55.283 55.283 54.329 0.954 17812 2716 1 8 . 1 1 339 339 ASP CB C 339 41.092 41.092 39.595 1.497 17812 2717 1 8 . 1 1 339 339 ASP H H 339 9.681 9.681 8.932 0.749 17812 2718 1 8 . 1 1 340 340 PRO HA H 340 4.140 4.140 3.919 0.221 17812 2719 1 8 . 1 1 340 340 PRO C C 340 177.463 177.463 177.762 -0.299 17812 2720 1 8 . 1 1 340 340 PRO CA C 340 65.883 65.883 64.782 1.101 17812 2721 1 8 . 1 1 340 340 PRO CB C 340 30.045 30.045 31.647 -1.602 17812 2722 1 8 . 1 1 341 341 ASP N N 341 115.117 115.117 117.830 -2.713 17812 2723 1 8 . 1 1 341 341 ASP HA H 341 4.642 4.642 4.382 0.260 17812 2724 1 8 . 1 1 341 341 ASP C C 341 175.663 175.663 176.929 -1.266 17812 2725 1 8 . 1 1 341 341 ASP CA C 341 54.735 54.735 55.643 -0.908 17812 2726 1 8 . 1 1 341 341 ASP CB C 341 39.135 39.135 39.726 -0.591 17812 2727 1 8 . 1 1 341 341 ASP H H 341 9.176 9.176 8.546 0.630 17812 2728 1 8 . 1 1 342 342 LYS N N 342 117.582 117.582 117.010 0.572 17812 2729 1 8 . 1 1 342 342 LYS HA H 342 4.351 4.351 4.382 -0.031 17812 2730 1 8 . 1 1 342 342 LYS CA C 342 54.496 54.496 55.407 -0.911 17812 2731 1 8 . 1 1 342 342 LYS CB C 342 33.968 33.968 32.819 1.149 17812 2732 1 8 . 1 1 342 342 LYS H H 342 8.056 8.056 7.501 0.555 17812 2733 1 8 . 1 1 343 343 GLN N N 343 119.535 119.535 120.204 -0.669 17812 2734 1 8 . 1 1 343 343 GLN HA H 343 4.510 4.510 3.844 0.666 17812 2735 1 8 . 1 1 343 343 GLN C C 343 175.176 175.176 174.852 0.324 17812 2736 1 8 . 1 1 343 343 GLN CA C 343 54.652 54.652 54.989 -0.337 17812 2737 1 8 . 1 1 343 343 GLN CB C 343 29.270 29.270 28.964 0.306 17812 2738 1 8 . 1 1 343 343 GLN H H 343 7.174 7.174 7.236 -0.062 17812 2739 1 8 . 1 1 344 344 LEU N N 344 124.836 124.836 127.096 -2.260 17812 2740 1 8 . 1 1 344 344 LEU HA H 344 4.307 4.307 4.453 -0.146 17812 2741 1 8 . 1 1 344 344 LEU CA C 344 53.564 53.564 53.825 -0.261 17812 2742 1 8 . 1 1 344 344 LEU CB C 344 44.381 44.381 42.734 1.647 17812 2743 1 8 . 1 1 344 344 LEU H H 344 8.215 8.215 8.543 -0.328 17812 2744 1 8 . 1 1 345 345 MET N N 345 119.349 119.349 120.016 -0.667 17812 2745 1 8 . 1 1 345 345 MET HA H 345 5.433 5.433 5.464 -0.031 17812 2746 1 8 . 1 1 345 345 MET C C 345 175.462 175.462 175.810 -0.348 17812 2747 1 8 . 1 1 345 345 MET CA C 345 52.877 52.877 54.083 -1.206 17812 2748 1 8 . 1 1 345 345 MET CB C 345 32.312 32.312 35.890 -3.578 17812 2749 1 8 . 1 1 345 345 MET H H 345 8.086 8.086 8.278 -0.192 17812 2750 1 8 . 1 1 346 346 CYS N N 346 124.792 124.792 124.742 0.050 17812 2751 1 8 . 1 1 346 346 CYS HA H 346 4.751 4.751 4.771 -0.020 17812 2752 1 8 . 1 1 346 346 CYS C C 346 177.998 177.998 176.099 1.899 17812 2753 1 8 . 1 1 346 346 CYS CA C 346 60.088 60.088 57.852 2.236 17812 2754 1 8 . 1 1 346 346 CYS CB C 346 32.345 32.345 29.408 2.937 17812 2755 1 8 . 1 1 346 346 CYS H H 346 9.088 9.088 9.135 -0.047 17812 2756 1 8 . 1 1 347 347 ASP N N 347 129.440 129.440 128.567 0.873 17812 2757 1 8 . 1 1 347 347 ASP HA H 347 4.624 4.624 4.543 0.081 17812 2758 1 8 . 1 1 347 347 ASP C C 347 174.755 174.755 177.940 -3.185 17812 2759 1 8 . 1 1 347 347 ASP CA C 347 57.932 57.932 56.843 1.089 17812 2760 1 8 . 1 1 347 347 ASP CB C 347 41.115 41.115 40.935 0.180 17812 2761 1 8 . 1 1 347 347 ASP H H 347 9.154 9.154 8.991 0.163 17812 2762 1 8 . 1 1 348 348 GLU N N 348 124.253 124.253 118.522 5.731 17812 2763 1 8 . 1 1 348 348 GLU HA H 348 4.895 4.895 4.213 0.682 17812 2764 1 8 . 1 1 348 348 GLU C C 348 176.439 176.439 177.650 -1.211 17812 2765 1 8 . 1 1 348 348 GLU CA C 348 58.673 58.673 58.495 0.178 17812 2766 1 8 . 1 1 348 348 GLU CB C 348 30.510 30.510 30.212 0.298 17812 2767 1 8 . 1 1 348 348 GLU H H 348 9.615 9.615 8.749 0.866 17812 2768 1 8 . 1 1 349 349 CYS N N 349 119.153 119.153 116.187 2.966 17812 2769 1 8 . 1 1 349 349 CYS HA H 349 4.778 4.778 4.670 0.108 17812 2770 1 8 . 1 1 349 349 CYS CA C 349 60.216 60.216 59.261 0.955 17812 2771 1 8 . 1 1 349 349 CYS CB C 349 32.008 32.008 28.605 3.404 17812 2772 1 8 . 1 1 349 349 CYS H H 349 8.522 8.522 7.702 0.820 17812 2773 1 8 . 1 1 350 350 ASP N N 350 115.218 115.218 119.764 -4.546 17812 2774 1 8 . 1 1 350 350 ASP HA H 350 4.492 4.492 4.409 0.083 17812 2775 1 8 . 1 1 350 350 ASP CA C 350 55.086 55.086 55.559 -0.473 17812 2776 1 8 . 1 1 350 350 ASP CB C 350 41.386 41.386 39.256 2.130 17812 2777 1 8 . 1 1 350 350 ASP H H 350 7.813 7.813 8.635 -0.822 17812 2778 1 8 . 1 1 351 351 MET N N 351 117.029 117.029 115.907 1.122 17812 2779 1 8 . 1 1 351 351 MET HA H 351 4.520 4.520 4.755 -0.235 17812 2780 1 8 . 1 1 351 351 MET C C 351 173.497 173.497 174.431 -0.934 17812 2781 1 8 . 1 1 351 351 MET CA C 351 54.706 54.706 54.172 0.534 17812 2782 1 8 . 1 1 351 351 MET CB C 351 34.605 34.605 36.738 -2.133 17812 2783 1 8 . 1 1 351 351 MET H H 351 8.162 8.162 7.538 0.624 17812 2784 1 8 . 1 1 352 352 ALA N N 352 123.068 123.068 122.430 0.638 17812 2785 1 8 . 1 1 352 352 ALA HA H 352 5.528 5.528 5.681 -0.153 17812 2786 1 8 . 1 1 352 352 ALA C C 352 177.545 177.545 176.532 1.013 17812 2787 1 8 . 1 1 352 352 ALA CA C 352 49.943 49.943 50.757 -0.814 17812 2788 1 8 . 1 1 352 352 ALA CB C 352 22.111 22.111 20.991 1.120 17812 2789 1 8 . 1 1 352 352 ALA H H 352 8.499 8.499 8.647 -0.148 17812 2790 1 8 . 1 1 353 353 PHE N N 353 116.057 116.057 119.182 -3.125 17812 2791 1 8 . 1 1 353 353 PHE HA H 353 5.106 5.106 4.958 0.148 17812 2792 1 8 . 1 1 353 353 PHE C C 353 176.868 176.868 176.660 0.208 17812 2793 1 8 . 1 1 353 353 PHE CA C 353 56.416 56.416 57.286 -0.870 17812 2794 1 8 . 1 1 353 353 PHE CB C 353 43.111 43.111 43.557 -0.446 17812 2795 1 8 . 1 1 353 353 PHE H H 353 9.164 9.164 8.356 0.808 17812 2796 1 8 . 1 1 354 354 HIS N N 354 124.053 124.053 121.615 2.438 17812 2797 1 8 . 1 1 354 354 HIS HA H 354 4.650 4.650 4.117 0.533 17812 2798 1 8 . 1 1 354 354 HIS C C 354 180.505 180.505 176.884 3.621 17812 2799 1 8 . 1 1 354 354 HIS CA C 354 58.931 58.931 56.837 2.094 17812 2800 1 8 . 1 1 354 354 HIS CB C 354 31.235 31.235 29.475 1.760 17812 2801 1 8 . 1 1 354 354 HIS H H 354 9.388 9.388 9.046 0.342 17812 2802 1 8 . 1 1 355 355 ILE N N 355 115.081 115.081 117.521 -2.440 17812 2803 1 8 . 1 1 355 355 ILE HA H 355 3.928 3.928 3.713 0.215 17812 2804 1 8 . 1 1 355 355 ILE C C 355 175.451 175.451 175.361 0.090 17812 2805 1 8 . 1 1 355 355 ILE CA C 355 65.726 65.726 63.606 2.120 17812 2806 1 8 . 1 1 355 355 ILE CB C 355 36.292 36.292 36.841 -0.549 17812 2807 1 8 . 1 1 355 355 ILE H H 355 8.568 8.568 8.338 0.230 17812 2808 1 8 . 1 1 356 356 TYR N N 356 110.787 110.787 112.608 -1.821 17812 2809 1 8 . 1 1 356 356 TYR HA H 356 4.801 4.801 4.683 0.118 17812 2810 1 8 . 1 1 356 356 TYR C C 356 177.073 177.073 175.464 1.609 17812 2811 1 8 . 1 1 356 356 TYR CA C 356 55.362 55.362 57.704 -2.342 17812 2812 1 8 . 1 1 356 356 TYR CB C 356 36.767 36.767 38.401 -1.634 17812 2813 1 8 . 1 1 356 356 TYR H H 356 6.117 6.117 7.341 -1.224 17812 2814 1 8 . 1 1 357 357 CYS N N 357 121.584 121.584 117.439 4.145 17812 2815 1 8 . 1 1 357 357 CYS HA H 357 4.537 4.537 3.894 0.643 17812 2816 1 8 . 1 1 357 357 CYS C C 357 174.868 174.868 175.410 -0.542 17812 2817 1 8 . 1 1 357 357 CYS CA C 357 62.349 62.349 59.192 3.157 17812 2818 1 8 . 1 1 357 357 CYS CB C 357 31.087 31.087 26.084 5.003 17812 2819 1 8 . 1 1 357 357 CYS H H 357 7.603 7.603 6.411 1.192 17812 2820 1 8 . 1 1 358 358 LEU N N 358 119.134 119.134 121.726 -2.592 17812 2821 1 8 . 1 1 358 358 LEU HA H 358 4.040 4.040 4.209 -0.169 17812 2822 1 8 . 1 1 358 358 LEU CA C 358 55.465 55.465 55.012 0.453 17812 2823 1 8 . 1 1 358 358 LEU CB C 358 44.020 44.020 42.145 1.875 17812 2824 1 8 . 1 1 358 358 LEU H H 358 6.387 6.387 7.439 -1.052 17812 2825 1 8 . 1 1 359 359 ASP N N 359 117.020 117.020 122.459 -5.439 17812 2826 1 8 . 1 1 359 359 ASP HA H 359 4.985 4.985 4.434 0.551 17812 2827 1 8 . 1 1 359 359 ASP CA C 359 50.354 50.354 55.454 -5.100 17812 2828 1 8 . 1 1 359 359 ASP CB C 359 43.465 43.465 39.782 3.683 17812 2829 1 8 . 1 1 359 359 ASP H H 359 8.167 8.167 8.610 -0.443 17812 2830 1 8 . 1 1 360 360 PRO HA H 360 5.202 5.202 4.449 0.753 17812 2831 1 8 . 1 1 360 360 PRO CA C 360 62.131 62.131 62.289 -0.158 17812 2832 1 8 . 1 1 360 360 PRO CB C 360 33.173 33.173 31.360 1.813 17812 2833 1 8 . 1 1 361 361 PRO HA H 361 4.462 4.462 4.519 -0.057 17812 2834 1 8 . 1 1 361 361 PRO C C 361 177.733 177.733 176.782 0.951 17812 2835 1 8 . 1 1 361 361 PRO CA C 361 63.068 63.068 62.150 0.918 17812 2836 1 8 . 1 1 361 361 PRO CB C 361 32.301 32.301 32.846 -0.545 17812 2837 1 8 . 1 1 362 362 LEU N N 362 121.043 121.043 121.070 -0.027 17812 2838 1 8 . 1 1 362 362 LEU HA H 362 4.761 4.761 4.440 0.321 17812 2839 1 8 . 1 1 362 362 LEU C C 362 177.392 177.392 178.011 -0.619 17812 2840 1 8 . 1 1 362 362 LEU CA C 362 53.621 53.621 54.480 -0.860 17812 2841 1 8 . 1 1 362 362 LEU CB C 362 43.759 43.759 42.530 1.229 17812 2842 1 8 . 1 1 362 362 LEU H H 362 7.798 7.798 8.024 -0.226 17812 2843 1 8 . 1 1 363 363 SER N N 363 115.324 115.324 116.018 -0.694 17812 2844 1 8 . 1 1 363 363 SER HA H 363 4.377 4.377 4.333 0.044 17812 2845 1 8 . 1 1 363 363 SER C C 363 174.070 174.070 174.011 0.059 17812 2846 1 8 . 1 1 363 363 SER CA C 363 59.341 59.341 60.126 -0.785 17812 2847 1 8 . 1 1 363 363 SER CB C 363 63.871 63.871 63.657 0.214 17812 2848 1 8 . 1 1 363 363 SER H H 363 8.899 8.899 8.628 0.271 17812 2849 1 8 . 1 1 364 364 SER N N 364 112.898 112.898 113.864 -0.966 17812 2850 1 8 . 1 1 364 364 SER HA H 364 4.451 4.451 4.581 -0.130 17812 2851 1 8 . 1 1 364 364 SER C C 364 173.066 173.066 172.638 0.428 17812 2852 1 8 . 1 1 364 364 SER CA C 364 56.852 56.852 57.589 -0.737 17812 2853 1 8 . 1 1 364 364 SER CB C 364 65.197 65.197 65.614 -0.417 17812 2854 1 8 . 1 1 364 364 SER H H 364 7.460 7.460 7.623 -0.163 17812 2855 1 8 . 1 1 365 365 VAL N N 365 123.433 123.433 122.708 0.725 17812 2856 1 8 . 1 1 365 365 VAL HA H 365 3.820 3.820 4.451 -0.631 17812 2857 1 8 . 1 1 365 365 VAL CA C 365 61.613 61.613 59.242 2.371 17812 2858 1 8 . 1 1 365 365 VAL CB C 365 32.428 32.428 33.272 -0.843 17812 2859 1 8 . 1 1 365 365 VAL H H 365 8.695 8.695 8.316 0.379 17812 2860 1 8 . 1 1 366 366 PRO HA H 366 4.457 4.457 4.753 -0.296 17812 2861 1 8 . 1 1 366 366 PRO C C 366 175.679 175.679 176.005 -0.326 17812 2862 1 8 . 1 1 366 366 PRO CA C 366 63.224 63.224 62.813 0.411 17812 2863 1 8 . 1 1 366 366 PRO CB C 366 32.526 32.526 32.681 -0.155 17812 2864 1 8 . 1 1 367 367 SER N N 367 116.079 116.079 118.676 -2.597 17812 2865 1 8 . 1 1 367 367 SER HA H 367 4.456 4.456 4.338 0.118 17812 2866 1 8 . 1 1 367 367 SER C C 367 174.796 174.796 175.901 -1.105 17812 2867 1 8 . 1 1 367 367 SER CA C 367 58.855 58.855 58.474 0.381 17812 2868 1 8 . 1 1 367 367 SER CB C 367 64.091 64.091 63.952 0.139 17812 2869 1 8 . 1 1 367 367 SER H H 367 8.648 8.648 8.562 0.086 17812 2870 1 8 . 1 1 368 368 GLU N N 368 122.642 122.642 121.884 0.758 17812 2871 1 8 . 1 1 368 368 GLU HA H 368 4.275 4.275 4.238 0.037 17812 2872 1 8 . 1 1 368 368 GLU CA C 368 57.631 57.631 57.491 0.140 17812 2873 1 8 . 1 1 368 368 GLU CB C 368 30.124 30.124 29.808 0.316 17812 2874 1 8 . 1 1 368 368 GLU H H 368 8.629 8.629 8.574 0.055 17812 2875 1 8 . 1 1 369 369 ASP N N 369 120.686 120.686 120.940 -0.254 17812 2876 1 8 . 1 1 369 369 ASP HA H 369 4.332 4.332 4.568 -0.236 17812 2877 1 8 . 1 1 369 369 ASP CA C 369 57.181 57.181 53.429 3.752 17812 2878 1 8 . 1 1 369 369 ASP CB C 369 41.404 41.404 40.886 0.518 17812 2879 1 8 . 1 1 369 369 ASP H H 369 8.614 8.614 8.083 0.531 17812 2880 1 8 . 1 1 370 370 GLU N N 370 115.631 115.631 123.278 -7.647 17812 2881 1 8 . 1 1 370 370 GLU HA H 370 4.861 4.861 4.172 0.689 17812 2882 1 8 . 1 1 370 370 GLU C C 370 175.047 175.047 175.824 -0.777 17812 2883 1 8 . 1 1 370 370 GLU CA C 370 54.687 54.687 56.924 -2.237 17812 2884 1 8 . 1 1 370 370 GLU CB C 370 32.837 32.837 30.083 2.754 17812 2885 1 8 . 1 1 370 370 GLU H H 370 7.823 7.823 8.567 -0.744 17812 2886 1 8 . 1 1 371 371 TRP N N 371 124.056 124.056 125.125 -1.069 17812 2887 1 8 . 1 1 371 371 TRP HA H 371 4.311 4.311 4.668 -0.357 17812 2888 1 8 . 1 1 371 371 TRP C C 371 171.586 171.586 173.742 -2.156 17812 2889 1 8 . 1 1 371 371 TRP CA C 371 59.845 59.845 56.184 3.661 17812 2890 1 8 . 1 1 371 371 TRP CB C 371 31.317 31.317 30.513 0.804 17812 2891 1 8 . 1 1 371 371 TRP H H 371 9.205 9.205 8.463 0.742 17812 2892 1 8 . 1 1 372 372 TYR N N 372 122.933 122.933 123.742 -0.809 17812 2893 1 8 . 1 1 372 372 TYR HA H 372 5.217 5.217 4.004 1.213 17812 2894 1 8 . 1 1 372 372 TYR C C 372 173.821 173.821 174.575 -0.754 17812 2895 1 8 . 1 1 372 372 TYR CA C 372 54.963 54.963 55.705 -0.742 17812 2896 1 8 . 1 1 372 372 TYR CB C 372 41.593 41.593 40.465 1.128 17812 2897 1 8 . 1 1 372 372 TYR H H 372 6.907 6.907 7.799 -0.892 17812 2898 1 8 . 1 1 373 373 CYS N N 373 127.647 127.647 119.855 7.792 17812 2899 1 8 . 1 1 373 373 CYS HA H 373 3.530 3.530 3.380 0.150 17812 2900 1 8 . 1 1 373 373 CYS CA C 373 57.539 57.539 54.994 2.545 17812 2901 1 8 . 1 1 373 373 CYS CB C 373 30.549 30.549 26.789 3.760 17812 2902 1 8 . 1 1 373 373 CYS H H 373 9.310 9.310 7.899 1.411 17812 2903 1 8 . 1 1 374 374 PRO HA H 374 3.987 3.987 3.978 0.009 17812 2904 1 8 . 1 1 374 374 PRO C C 374 178.008 178.008 178.813 -0.805 17812 2905 1 8 . 1 1 374 374 PRO CA C 374 65.504 65.504 65.439 0.065 17812 2906 1 8 . 1 1 374 374 PRO CB C 374 32.293 32.293 31.850 0.443 17812 2907 1 8 . 1 1 375 375 GLU N N 375 116.759 116.759 118.770 -2.011 17812 2908 1 8 . 1 1 375 375 GLU HA H 375 4.237 4.237 4.067 0.170 17812 2909 1 8 . 1 1 375 375 GLU C C 375 177.054 177.054 179.122 -2.068 17812 2910 1 8 . 1 1 375 375 GLU CA C 375 58.479 58.479 59.300 -0.821 17812 2911 1 8 . 1 1 375 375 GLU CB C 375 30.939 30.939 29.380 1.559 17812 2912 1 8 . 1 1 375 375 GLU H H 375 8.111 8.111 8.667 -0.556 17812 2913 1 8 . 1 1 376 376 CYS N N 376 122.642 122.642 118.029 4.613 17812 2914 1 8 . 1 1 376 376 CYS HA H 376 4.055 4.055 4.197 -0.142 17812 2915 1 8 . 1 1 376 376 CYS CA C 376 62.498 62.498 62.176 0.322 17812 2916 1 8 . 1 1 376 376 CYS CB C 376 31.379 31.379 25.928 5.450 17812 2917 1 8 . 1 1 376 376 CYS H H 376 8.075 8.075 7.621 0.454 17812 2918 1 8 . 1 1 377 377 ARG N N 377 117.680 117.680 119.700 -2.020 17812 2919 1 8 . 1 1 377 377 ARG HA H 377 3.948 3.948 4.108 -0.160 17812 2920 1 8 . 1 1 377 377 ARG C C 377 56.425 56.425 177.272 -120.847 17812 2921 1 8 . 1 1 377 377 ARG CB C 377 30.678 30.678 29.304 1.374 17812 2922 1 8 . 1 1 377 377 ARG H H 377 7.856 7.856 7.661 0.195 17812 2923 1 8 . 1 1 378 378 ASN N N 378 119.726 119.726 115.947 3.779 17812 2924 1 8 . 1 1 378 378 ASN HA H 378 4.695 4.695 4.678 0.017 17812 2925 1 8 . 1 1 378 378 ASN C C 378 173.554 173.554 174.316 -0.762 17812 2926 1 8 . 1 1 378 378 ASN CA C 378 53.204 53.204 53.595 -0.391 17812 2927 1 8 . 1 1 378 378 ASN CB C 378 39.516 39.516 38.981 0.535 17812 2928 1 8 . 1 1 378 378 ASN H H 378 8.189 8.189 7.718 0.471 17812 2929 1 9 . 1 1 312 312 GLY N N 312 110.352 110.352 110.562 -0.210 17812 2930 1 9 . 1 1 312 312 GLY CA C 312 44.546 44.546 44.246 0.300 17812 2931 1 9 . 1 1 312 312 GLY H H 312 7.809 7.809 7.914 -0.105 17812 2932 1 9 . 1 1 313 313 PRO HA H 313 4.433 4.433 4.434 -0.001 17812 2933 1 9 . 1 1 313 313 PRO CA C 313 62.527 62.527 62.798 -0.271 17812 2934 1 9 . 1 1 313 313 PRO CB C 313 31.680 31.680 32.625 -0.945 17812 2935 1 9 . 1 1 314 314 SER N N 314 120.711 120.711 113.898 6.813 17812 2936 1 9 . 1 1 314 314 SER HA H 314 4.331 4.331 4.194 0.137 17812 2937 1 9 . 1 1 314 314 SER C C 314 174.789 174.789 174.345 0.444 17812 2938 1 9 . 1 1 314 314 SER CA C 314 60.627 60.627 60.604 0.023 17812 2939 1 9 . 1 1 314 314 SER CB C 314 63.925 63.925 63.267 0.658 17812 2940 1 9 . 1 1 314 314 SER H H 314 10.435 10.435 8.418 2.017 17812 2941 1 9 . 1 1 315 315 CYS N N 315 125.240 125.240 121.092 4.148 17812 2942 1 9 . 1 1 315 315 CYS HA H 315 4.698 4.698 4.660 0.038 17812 2943 1 9 . 1 1 315 315 CYS C C 315 176.852 176.852 173.812 3.040 17812 2944 1 9 . 1 1 315 315 CYS CA C 315 58.281 58.281 58.081 0.200 17812 2945 1 9 . 1 1 315 315 CYS CB C 315 32.487 32.487 27.744 4.743 17812 2946 1 9 . 1 1 315 315 CYS H H 315 9.159 9.159 7.957 1.202 17812 2947 1 9 . 1 1 316 316 LYS N N 316 127.250 127.250 124.524 2.726 17812 2948 1 9 . 1 1 316 316 LYS HA H 316 4.005 4.005 4.307 -0.302 17812 2949 1 9 . 1 1 316 316 LYS C C 316 176.341 176.341 177.122 -0.781 17812 2950 1 9 . 1 1 316 316 LYS CA C 316 58.026 58.026 56.308 1.718 17812 2951 1 9 . 1 1 316 316 LYS CB C 316 32.116 32.116 32.992 -0.876 17812 2952 1 9 . 1 1 316 316 LYS H H 316 8.951 8.951 8.350 0.601 17812 2953 1 9 . 1 1 317 317 HIS N N 317 121.622 121.622 117.729 3.893 17812 2954 1 9 . 1 1 317 317 HIS HA H 317 4.367 4.367 4.491 -0.124 17812 2955 1 9 . 1 1 317 317 HIS C C 317 176.348 176.348 176.692 -0.344 17812 2956 1 9 . 1 1 317 317 HIS CA C 317 59.351 59.351 58.389 0.962 17812 2957 1 9 . 1 1 317 317 HIS CB C 317 31.034 31.034 29.885 1.149 17812 2958 1 9 . 1 1 317 317 HIS H H 317 8.882 8.882 8.099 0.783 17812 2959 1 9 . 1 1 318 318 CYS N N 318 115.222 115.222 115.817 -0.595 17812 2960 1 9 . 1 1 318 318 CYS HA H 318 4.839 4.839 4.813 0.026 17812 2961 1 9 . 1 1 318 318 CYS C C 318 176.909 176.909 175.827 1.082 17812 2962 1 9 . 1 1 318 318 CYS CA C 318 58.040 58.040 57.440 0.601 17812 2963 1 9 . 1 1 318 318 CYS CB C 318 31.925 31.925 27.902 4.023 17812 2964 1 9 . 1 1 318 318 CYS H H 318 8.081 8.081 8.468 -0.387 17812 2965 1 9 . 1 1 319 319 LYS N N 319 119.827 119.827 121.948 -2.121 17812 2966 1 9 . 1 1 319 319 LYS HA H 319 3.886 3.886 3.949 -0.063 17812 2967 1 9 . 1 1 319 319 LYS C C 319 174.670 174.670 177.550 -2.880 17812 2968 1 9 . 1 1 319 319 LYS CA C 319 57.728 57.728 59.696 -1.968 17812 2969 1 9 . 1 1 319 319 LYS CB C 319 28.902 28.902 32.190 -3.288 17812 2970 1 9 . 1 1 319 319 LYS H H 319 7.895 7.895 7.988 -0.093 17812 2971 1 9 . 1 1 320 320 ASP N N 320 117.610 117.610 116.279 1.331 17812 2972 1 9 . 1 1 320 320 ASP HA H 320 4.206 4.206 4.448 -0.242 17812 2973 1 9 . 1 1 320 320 ASP C C 320 174.861 174.861 176.966 -2.105 17812 2974 1 9 . 1 1 320 320 ASP CA C 320 54.551 54.551 56.171 -1.620 17812 2975 1 9 . 1 1 320 320 ASP CB C 320 38.354 38.354 40.724 -2.370 17812 2976 1 9 . 1 1 320 320 ASP H H 320 8.873 8.873 8.537 0.337 17812 2977 1 9 . 1 1 321 321 ASP N N 321 118.813 118.813 119.416 -0.603 17812 2978 1 9 . 1 1 321 321 ASP HA H 321 4.595 4.595 4.869 -0.274 17812 2979 1 9 . 1 1 321 321 ASP C C 321 176.386 176.386 176.682 -0.296 17812 2980 1 9 . 1 1 321 321 ASP CA C 321 53.781 53.781 53.004 0.777 17812 2981 1 9 . 1 1 321 321 ASP CB C 321 40.782 40.782 41.063 -0.281 17812 2982 1 9 . 1 1 321 321 ASP H H 321 7.212 7.212 7.831 -0.619 17812 2983 1 9 . 1 1 322 322 VAL N N 322 122.228 122.228 119.207 3.021 17812 2984 1 9 . 1 1 322 322 VAL HA H 322 3.866 3.866 3.840 0.026 17812 2985 1 9 . 1 1 322 322 VAL CA C 322 63.885 63.885 63.874 0.011 17812 2986 1 9 . 1 1 322 322 VAL CB C 322 31.385 31.385 31.469 -0.084 17812 2987 1 9 . 1 1 322 322 VAL H H 322 8.060 8.060 8.157 -0.097 17812 2988 1 9 . 1 1 323 323 ASN N N 323 117.787 117.787 115.587 2.200 17812 2989 1 9 . 1 1 323 323 ASN HA H 323 4.710 4.710 4.494 0.216 17812 2990 1 9 . 1 1 323 323 ASN CA C 323 54.065 54.065 54.355 -0.290 17812 2991 1 9 . 1 1 323 323 ASN CB C 323 38.876 38.876 38.289 0.587 17812 2992 1 9 . 1 1 323 323 ASN H H 323 8.486 8.486 8.266 0.220 17812 2993 1 9 . 1 1 324 324 ARG N N 324 120.106 120.106 120.449 -0.343 17812 2994 1 9 . 1 1 324 324 ARG HA H 324 4.632 4.632 4.275 0.357 17812 2995 1 9 . 1 1 324 324 ARG C C 324 175.881 175.881 175.179 0.702 17812 2996 1 9 . 1 1 324 324 ARG CA C 324 54.488 54.488 55.653 -1.165 17812 2997 1 9 . 1 1 324 324 ARG CB C 324 32.709 32.709 31.224 1.485 17812 2998 1 9 . 1 1 324 324 ARG H H 324 7.955 7.955 7.564 0.391 17812 2999 1 9 . 1 1 325 325 LEU N N 325 123.983 123.983 122.074 1.909 17812 3000 1 9 . 1 1 325 325 LEU HA H 325 4.422 4.422 4.456 -0.034 17812 3001 1 9 . 1 1 325 325 LEU C C 325 177.647 177.647 176.677 0.970 17812 3002 1 9 . 1 1 325 325 LEU CA C 325 54.910 54.910 54.976 -0.066 17812 3003 1 9 . 1 1 325 325 LEU CB C 325 42.720 42.720 42.963 -0.243 17812 3004 1 9 . 1 1 325 325 LEU H H 325 8.423 8.423 8.176 0.247 17812 3005 1 9 . 1 1 326 326 CYS N N 326 123.693 123.693 125.233 -1.540 17812 3006 1 9 . 1 1 326 326 CYS HA H 326 4.474 4.474 4.816 -0.342 17812 3007 1 9 . 1 1 326 326 CYS C C 326 174.472 174.472 175.787 -1.315 17812 3008 1 9 . 1 1 326 326 CYS CA C 326 60.503 60.503 57.407 3.095 17812 3009 1 9 . 1 1 326 326 CYS CB C 326 32.551 32.551 30.258 2.293 17812 3010 1 9 . 1 1 326 326 CYS H H 326 9.277 9.277 8.657 0.620 17812 3011 1 9 . 1 1 327 327 ARG N N 327 126.881 126.881 124.313 2.568 17812 3012 1 9 . 1 1 327 327 ARG HA H 327 4.579 4.579 4.075 0.504 17812 3013 1 9 . 1 1 327 327 ARG C C 327 175.128 175.128 177.752 -2.624 17812 3014 1 9 . 1 1 327 327 ARG CA C 327 56.522 56.522 58.697 -2.175 17812 3015 1 9 . 1 1 327 327 ARG CB C 327 29.116 29.116 30.170 -1.054 17812 3016 1 9 . 1 1 327 327 ARG H H 327 8.880 8.880 8.715 0.165 17812 3017 1 9 . 1 1 328 328 VAL N N 328 123.112 123.112 118.165 4.947 17812 3018 1 9 . 1 1 328 328 VAL HA H 328 4.139 4.139 3.772 0.367 17812 3019 1 9 . 1 1 328 328 VAL C C 328 176.618 176.618 176.745 -0.127 17812 3020 1 9 . 1 1 328 328 VAL CA C 328 65.790 65.790 65.260 0.530 17812 3021 1 9 . 1 1 328 328 VAL CB C 328 32.296 32.296 31.915 0.381 17812 3022 1 9 . 1 1 328 328 VAL H H 328 9.058 9.058 7.879 1.179 17812 3023 1 9 . 1 1 329 329 CYS N N 329 117.822 117.822 116.640 1.182 17812 3024 1 9 . 1 1 329 329 CYS HA H 329 4.975 4.975 4.741 0.234 17812 3025 1 9 . 1 1 329 329 CYS C C 329 174.466 174.466 172.955 1.511 17812 3026 1 9 . 1 1 329 329 CYS CA C 329 58.446 58.446 56.367 2.079 17812 3027 1 9 . 1 1 329 329 CYS CB C 329 31.850 31.850 25.924 5.926 17812 3028 1 9 . 1 1 329 329 CYS H H 329 8.372 8.372 7.685 0.687 17812 3029 1 9 . 1 1 330 330 ALA N N 330 130.671 130.671 123.352 7.319 17812 3030 1 9 . 1 1 330 330 ALA HA H 330 4.575 4.575 4.521 0.054 17812 3031 1 9 . 1 1 330 330 ALA C C 330 175.000 175.000 175.349 -0.349 17812 3032 1 9 . 1 1 330 330 ALA CA C 330 50.393 50.393 50.919 -0.526 17812 3033 1 9 . 1 1 330 330 ALA CB C 330 19.244 19.244 21.122 -1.878 17812 3034 1 9 . 1 1 330 330 ALA H H 330 7.030 7.030 7.571 -0.541 17812 3035 1 9 . 1 1 331 331 CYS N N 331 118.585 118.585 120.185 -1.600 17812 3036 1 9 . 1 1 331 331 CYS HA H 331 3.587 3.587 4.496 -0.909 17812 3037 1 9 . 1 1 331 331 CYS C C 331 177.953 177.953 176.584 1.369 17812 3038 1 9 . 1 1 331 331 CYS CA C 331 60.241 60.241 59.415 0.826 17812 3039 1 9 . 1 1 331 331 CYS CB C 331 30.524 30.524 27.853 2.671 17812 3040 1 9 . 1 1 331 331 CYS H H 331 7.081 7.081 8.852 -1.771 17812 3041 1 9 . 1 1 332 332 HIS N N 332 127.546 127.546 126.964 0.582 17812 3042 1 9 . 1 1 332 332 HIS HA H 332 4.752 4.752 4.204 0.548 17812 3043 1 9 . 1 1 332 332 HIS C C 332 174.236 174.236 175.645 -1.409 17812 3044 1 9 . 1 1 332 332 HIS CA C 332 56.287 56.287 59.658 -3.371 17812 3045 1 9 . 1 1 332 332 HIS CB C 332 28.769 28.769 29.965 -1.196 17812 3046 1 9 . 1 1 332 332 HIS H H 332 9.757 9.757 8.763 0.994 17812 3047 1 9 . 1 1 333 333 LEU N N 333 118.061 118.061 117.082 0.979 17812 3048 1 9 . 1 1 333 333 LEU HA H 333 4.580 4.580 4.077 0.503 17812 3049 1 9 . 1 1 333 333 LEU C C 333 177.564 177.564 178.599 -1.035 17812 3050 1 9 . 1 1 333 333 LEU CA C 333 56.046 56.046 56.581 -0.535 17812 3051 1 9 . 1 1 333 333 LEU CB C 333 42.986 42.986 42.024 0.962 17812 3052 1 9 . 1 1 333 333 LEU H H 333 8.773 8.773 7.518 1.255 17812 3053 1 9 . 1 1 334 334 CYS N N 334 118.393 118.393 115.905 2.488 17812 3054 1 9 . 1 1 334 334 CYS HA H 334 5.084 5.084 4.320 0.764 17812 3055 1 9 . 1 1 334 334 CYS C C 334 176.736 176.736 176.319 0.417 17812 3056 1 9 . 1 1 334 334 CYS CA C 334 58.973 58.973 59.976 -1.003 17812 3057 1 9 . 1 1 334 334 CYS CB C 334 32.481 32.481 27.510 4.971 17812 3058 1 9 . 1 1 334 334 CYS H H 334 8.310 8.310 8.248 0.062 17812 3059 1 9 . 1 1 335 335 GLY N N 335 115.992 115.992 111.377 4.615 17812 3060 1 9 . 1 1 335 335 GLY C C 335 172.059 172.059 174.722 -2.663 17812 3061 1 9 . 1 1 335 335 GLY CA C 335 45.652 45.652 45.039 0.613 17812 3062 1 9 . 1 1 335 335 GLY H H 335 8.596 8.596 8.458 0.138 17812 3063 1 9 . 1 1 336 336 GLY N N 336 111.360 111.360 106.682 4.678 17812 3064 1 9 . 1 1 336 336 GLY C C 336 174.101 174.101 173.017 1.084 17812 3065 1 9 . 1 1 336 336 GLY CA C 336 44.987 44.987 43.895 1.092 17812 3066 1 9 . 1 1 336 336 GLY H H 336 9.594 9.594 7.883 1.711 17812 3067 1 9 . 1 1 337 337 ARG N N 337 118.859 118.859 118.330 0.529 17812 3068 1 9 . 1 1 337 337 ARG HA H 337 4.413 4.413 4.572 -0.159 17812 3069 1 9 . 1 1 337 337 ARG C C 337 177.635 177.635 176.646 0.989 17812 3070 1 9 . 1 1 337 337 ARG CA C 337 55.364 55.364 55.642 -0.279 17812 3071 1 9 . 1 1 337 337 ARG CB C 337 31.337 31.337 30.606 0.731 17812 3072 1 9 . 1 1 337 337 ARG H H 337 8.827 8.827 8.459 0.368 17812 3073 1 9 . 1 1 338 338 GLN N N 338 120.950 120.950 119.218 1.732 17812 3074 1 9 . 1 1 338 338 GLN HA H 338 4.376 4.376 4.140 0.236 17812 3075 1 9 . 1 1 338 338 GLN C C 338 176.420 176.420 175.765 0.655 17812 3076 1 9 . 1 1 338 338 GLN CA C 338 55.694 55.694 58.268 -2.574 17812 3077 1 9 . 1 1 338 338 GLN CB C 338 28.096 28.096 29.020 -0.923 17812 3078 1 9 . 1 1 338 338 GLN H H 338 9.568 9.568 8.440 1.128 17812 3079 1 9 . 1 1 339 339 ASP N N 339 117.880 117.880 114.864 3.016 17812 3080 1 9 . 1 1 339 339 ASP HA H 339 4.625 4.625 4.993 -0.368 17812 3081 1 9 . 1 1 339 339 ASP CA C 339 55.283 55.283 52.917 2.366 17812 3082 1 9 . 1 1 339 339 ASP CB C 339 41.092 41.092 41.549 -0.457 17812 3083 1 9 . 1 1 339 339 ASP H H 339 9.681 9.681 8.214 1.467 17812 3084 1 9 . 1 1 340 340 PRO HA H 340 4.140 4.140 3.784 0.356 17812 3085 1 9 . 1 1 340 340 PRO C C 340 177.463 177.463 178.084 -0.621 17812 3086 1 9 . 1 1 340 340 PRO CA C 340 65.883 65.883 64.977 0.906 17812 3087 1 9 . 1 1 340 340 PRO CB C 340 30.045 30.045 31.807 -1.762 17812 3088 1 9 . 1 1 341 341 ASP N N 341 115.117 115.117 117.107 -1.990 17812 3089 1 9 . 1 1 341 341 ASP HA H 341 4.642 4.642 4.351 0.291 17812 3090 1 9 . 1 1 341 341 ASP C C 341 175.663 175.663 176.668 -1.005 17812 3091 1 9 . 1 1 341 341 ASP CA C 341 54.735 54.735 55.806 -1.071 17812 3092 1 9 . 1 1 341 341 ASP CB C 341 39.135 39.135 40.092 -0.957 17812 3093 1 9 . 1 1 341 341 ASP H H 341 9.176 9.176 8.742 0.434 17812 3094 1 9 . 1 1 342 342 LYS N N 342 117.582 117.582 117.040 0.542 17812 3095 1 9 . 1 1 342 342 LYS HA H 342 4.351 4.351 4.358 -0.007 17812 3096 1 9 . 1 1 342 342 LYS CA C 342 54.496 54.496 55.405 -0.909 17812 3097 1 9 . 1 1 342 342 LYS CB C 342 33.968 33.968 32.874 1.094 17812 3098 1 9 . 1 1 342 342 LYS H H 342 8.056 8.056 7.480 0.576 17812 3099 1 9 . 1 1 343 343 GLN N N 343 119.535 119.535 120.194 -0.659 17812 3100 1 9 . 1 1 343 343 GLN HA H 343 4.510 4.510 4.059 0.451 17812 3101 1 9 . 1 1 343 343 GLN C C 343 175.176 175.176 174.762 0.414 17812 3102 1 9 . 1 1 343 343 GLN CA C 343 54.652 54.652 55.050 -0.398 17812 3103 1 9 . 1 1 343 343 GLN CB C 343 29.270 29.270 28.914 0.356 17812 3104 1 9 . 1 1 343 343 GLN H H 343 7.174 7.174 7.277 -0.103 17812 3105 1 9 . 1 1 344 344 LEU N N 344 124.836 124.836 127.046 -2.210 17812 3106 1 9 . 1 1 344 344 LEU HA H 344 4.307 4.307 4.514 -0.207 17812 3107 1 9 . 1 1 344 344 LEU CA C 344 53.564 53.564 53.780 -0.216 17812 3108 1 9 . 1 1 344 344 LEU CB C 344 44.381 44.381 43.432 0.949 17812 3109 1 9 . 1 1 344 344 LEU H H 344 8.215 8.215 8.540 -0.325 17812 3110 1 9 . 1 1 345 345 MET N N 345 119.349 119.349 119.345 0.004 17812 3111 1 9 . 1 1 345 345 MET HA H 345 5.433 5.433 5.463 -0.030 17812 3112 1 9 . 1 1 345 345 MET C C 345 175.462 175.462 175.886 -0.424 17812 3113 1 9 . 1 1 345 345 MET CA C 345 52.877 52.877 53.880 -1.003 17812 3114 1 9 . 1 1 345 345 MET CB C 345 32.312 32.312 35.839 -3.527 17812 3115 1 9 . 1 1 345 345 MET H H 345 8.086 8.086 8.176 -0.090 17812 3116 1 9 . 1 1 346 346 CYS N N 346 124.792 124.792 124.870 -0.078 17812 3117 1 9 . 1 1 346 346 CYS HA H 346 4.751 4.751 4.551 0.200 17812 3118 1 9 . 1 1 346 346 CYS C C 346 177.998 177.998 176.256 1.742 17812 3119 1 9 . 1 1 346 346 CYS CA C 346 60.088 60.088 58.450 1.638 17812 3120 1 9 . 1 1 346 346 CYS CB C 346 32.345 32.345 28.789 3.556 17812 3121 1 9 . 1 1 346 346 CYS H H 346 9.088 9.088 9.146 -0.058 17812 3122 1 9 . 1 1 347 347 ASP N N 347 129.440 129.440 128.771 0.669 17812 3123 1 9 . 1 1 347 347 ASP HA H 347 4.624 4.624 4.659 -0.035 17812 3124 1 9 . 1 1 347 347 ASP C C 347 174.755 174.755 177.765 -3.010 17812 3125 1 9 . 1 1 347 347 ASP CA C 347 57.932 57.932 56.616 1.316 17812 3126 1 9 . 1 1 347 347 ASP CB C 347 41.115 41.115 40.810 0.305 17812 3127 1 9 . 1 1 347 347 ASP H H 347 9.154 9.154 8.626 0.528 17812 3128 1 9 . 1 1 348 348 GLU N N 348 124.253 124.253 118.435 5.818 17812 3129 1 9 . 1 1 348 348 GLU HA H 348 4.895 4.895 4.251 0.644 17812 3130 1 9 . 1 1 348 348 GLU C C 348 176.439 176.439 177.430 -0.991 17812 3131 1 9 . 1 1 348 348 GLU CA C 348 58.673 58.673 58.265 0.408 17812 3132 1 9 . 1 1 348 348 GLU CB C 348 30.510 30.510 29.759 0.751 17812 3133 1 9 . 1 1 348 348 GLU H H 348 9.615 9.615 8.805 0.810 17812 3134 1 9 . 1 1 349 349 CYS N N 349 119.153 119.153 115.849 3.304 17812 3135 1 9 . 1 1 349 349 CYS HA H 349 4.778 4.778 4.675 0.103 17812 3136 1 9 . 1 1 349 349 CYS CA C 349 60.216 60.216 58.408 1.808 17812 3137 1 9 . 1 1 349 349 CYS CB C 349 32.008 32.008 28.750 3.258 17812 3138 1 9 . 1 1 349 349 CYS H H 349 8.522 8.522 7.694 0.828 17812 3139 1 9 . 1 1 350 350 ASP N N 350 115.218 115.218 119.074 -3.856 17812 3140 1 9 . 1 1 350 350 ASP HA H 350 4.492 4.492 4.438 0.054 17812 3141 1 9 . 1 1 350 350 ASP CA C 350 55.086 55.086 55.414 -0.328 17812 3142 1 9 . 1 1 350 350 ASP CB C 350 41.386 41.386 38.854 2.532 17812 3143 1 9 . 1 1 350 350 ASP H H 350 7.813 7.813 8.773 -0.960 17812 3144 1 9 . 1 1 351 351 MET N N 351 117.029 117.029 117.505 -0.476 17812 3145 1 9 . 1 1 351 351 MET HA H 351 4.520 4.520 4.775 -0.255 17812 3146 1 9 . 1 1 351 351 MET C C 351 173.497 173.497 175.109 -1.612 17812 3147 1 9 . 1 1 351 351 MET CA C 351 54.706 54.706 52.581 2.125 17812 3148 1 9 . 1 1 351 351 MET CB C 351 34.605 34.605 35.545 -0.940 17812 3149 1 9 . 1 1 351 351 MET H H 351 8.162 8.162 7.581 0.581 17812 3150 1 9 . 1 1 352 352 ALA N N 352 123.068 123.068 123.365 -0.297 17812 3151 1 9 . 1 1 352 352 ALA HA H 352 5.528 5.528 5.144 0.384 17812 3152 1 9 . 1 1 352 352 ALA C C 352 177.545 177.545 176.484 1.061 17812 3153 1 9 . 1 1 352 352 ALA CA C 352 49.943 49.943 51.497 -1.554 17812 3154 1 9 . 1 1 352 352 ALA CB C 352 22.111 22.111 20.464 1.647 17812 3155 1 9 . 1 1 352 352 ALA H H 352 8.499 8.499 8.291 0.208 17812 3156 1 9 . 1 1 353 353 PHE N N 353 116.057 116.057 119.002 -2.945 17812 3157 1 9 . 1 1 353 353 PHE HA H 353 5.106 5.106 4.921 0.185 17812 3158 1 9 . 1 1 353 353 PHE C C 353 176.868 176.868 176.833 0.035 17812 3159 1 9 . 1 1 353 353 PHE CA C 353 56.416 56.416 57.301 -0.885 17812 3160 1 9 . 1 1 353 353 PHE CB C 353 43.111 43.111 43.390 -0.279 17812 3161 1 9 . 1 1 353 353 PHE H H 353 9.164 9.164 8.261 0.903 17812 3162 1 9 . 1 1 354 354 HIS N N 354 124.053 124.053 121.891 2.162 17812 3163 1 9 . 1 1 354 354 HIS HA H 354 4.650 4.650 4.346 0.304 17812 3164 1 9 . 1 1 354 354 HIS C C 354 180.505 180.505 177.004 3.501 17812 3165 1 9 . 1 1 354 354 HIS CA C 354 58.931 58.931 57.332 1.599 17812 3166 1 9 . 1 1 354 354 HIS CB C 354 31.235 31.235 29.569 1.666 17812 3167 1 9 . 1 1 354 354 HIS H H 354 9.388 9.388 9.074 0.314 17812 3168 1 9 . 1 1 355 355 ILE N N 355 115.081 115.081 117.460 -2.379 17812 3169 1 9 . 1 1 355 355 ILE HA H 355 3.928 3.928 3.668 0.260 17812 3170 1 9 . 1 1 355 355 ILE C C 355 175.451 175.451 175.979 -0.528 17812 3171 1 9 . 1 1 355 355 ILE CA C 355 65.726 65.726 64.126 1.600 17812 3172 1 9 . 1 1 355 355 ILE CB C 355 36.292 36.292 36.877 -0.585 17812 3173 1 9 . 1 1 355 355 ILE H H 355 8.568 8.568 8.335 0.233 17812 3174 1 9 . 1 1 356 356 TYR N N 356 110.787 110.787 113.744 -2.957 17812 3175 1 9 . 1 1 356 356 TYR HA H 356 4.801 4.801 4.630 0.171 17812 3176 1 9 . 1 1 356 356 TYR C C 356 177.073 177.073 175.687 1.386 17812 3177 1 9 . 1 1 356 356 TYR CA C 356 55.362 55.362 57.676 -2.314 17812 3178 1 9 . 1 1 356 356 TYR CB C 356 36.767 36.767 38.753 -1.986 17812 3179 1 9 . 1 1 356 356 TYR H H 356 6.117 6.117 7.529 -1.412 17812 3180 1 9 . 1 1 357 357 CYS N N 357 121.584 121.584 117.075 4.509 17812 3181 1 9 . 1 1 357 357 CYS HA H 357 4.537 4.537 3.547 0.990 17812 3182 1 9 . 1 1 357 357 CYS C C 357 174.868 174.868 175.353 -0.485 17812 3183 1 9 . 1 1 357 357 CYS CA C 357 62.349 62.349 59.711 2.638 17812 3184 1 9 . 1 1 357 357 CYS CB C 357 31.087 31.087 25.905 5.181 17812 3185 1 9 . 1 1 357 357 CYS H H 357 7.603 7.603 7.335 0.268 17812 3186 1 9 . 1 1 358 358 LEU N N 358 119.134 119.134 120.703 -1.569 17812 3187 1 9 . 1 1 358 358 LEU HA H 358 4.040 4.040 4.280 -0.240 17812 3188 1 9 . 1 1 358 358 LEU CA C 358 55.465 55.465 54.953 0.512 17812 3189 1 9 . 1 1 358 358 LEU CB C 358 44.020 44.020 42.079 1.941 17812 3190 1 9 . 1 1 358 358 LEU H H 358 6.387 6.387 7.501 -1.114 17812 3191 1 9 . 1 1 359 359 ASP N N 359 117.020 117.020 122.399 -5.379 17812 3192 1 9 . 1 1 359 359 ASP HA H 359 4.985 4.985 4.521 0.464 17812 3193 1 9 . 1 1 359 359 ASP CA C 359 50.354 50.354 56.504 -6.150 17812 3194 1 9 . 1 1 359 359 ASP CB C 359 43.465 43.465 39.935 3.530 17812 3195 1 9 . 1 1 359 359 ASP H H 359 8.167 8.167 8.556 -0.389 17812 3196 1 9 . 1 1 360 360 PRO HA H 360 5.202 5.202 4.552 0.650 17812 3197 1 9 . 1 1 360 360 PRO CA C 360 62.131 62.131 62.335 -0.204 17812 3198 1 9 . 1 1 360 360 PRO CB C 360 33.173 33.173 31.311 1.862 17812 3199 1 9 . 1 1 361 361 PRO HA H 361 4.462 4.462 4.532 -0.070 17812 3200 1 9 . 1 1 361 361 PRO C C 361 177.733 177.733 177.033 0.700 17812 3201 1 9 . 1 1 361 361 PRO CA C 361 63.068 63.068 62.031 1.037 17812 3202 1 9 . 1 1 361 361 PRO CB C 361 32.301 32.301 32.620 -0.319 17812 3203 1 9 . 1 1 362 362 LEU N N 362 121.043 121.043 121.161 -0.118 17812 3204 1 9 . 1 1 362 362 LEU HA H 362 4.761 4.761 4.464 0.297 17812 3205 1 9 . 1 1 362 362 LEU C C 362 177.392 177.392 178.367 -0.975 17812 3206 1 9 . 1 1 362 362 LEU CA C 362 53.621 53.621 54.855 -1.234 17812 3207 1 9 . 1 1 362 362 LEU CB C 362 43.759 43.759 42.161 1.597 17812 3208 1 9 . 1 1 362 362 LEU H H 362 7.798 7.798 8.201 -0.403 17812 3209 1 9 . 1 1 363 363 SER N N 363 115.324 115.324 116.110 -0.786 17812 3210 1 9 . 1 1 363 363 SER HA H 363 4.377 4.377 4.325 0.052 17812 3211 1 9 . 1 1 363 363 SER C C 363 174.070 174.070 174.317 -0.247 17812 3212 1 9 . 1 1 363 363 SER CA C 363 59.341 59.341 59.996 -0.655 17812 3213 1 9 . 1 1 363 363 SER CB C 363 63.871 63.871 63.436 0.435 17812 3214 1 9 . 1 1 363 363 SER H H 363 8.899 8.899 8.592 0.307 17812 3215 1 9 . 1 1 364 364 SER N N 364 112.898 112.898 113.286 -0.388 17812 3216 1 9 . 1 1 364 364 SER HA H 364 4.451 4.451 4.549 -0.098 17812 3217 1 9 . 1 1 364 364 SER C C 364 173.066 173.066 172.508 0.558 17812 3218 1 9 . 1 1 364 364 SER CA C 364 56.852 56.852 57.599 -0.746 17812 3219 1 9 . 1 1 364 364 SER CB C 364 65.197 65.197 65.582 -0.385 17812 3220 1 9 . 1 1 364 364 SER H H 364 7.460 7.460 7.631 -0.171 17812 3221 1 9 . 1 1 365 365 VAL N N 365 123.433 123.433 122.815 0.618 17812 3222 1 9 . 1 1 365 365 VAL HA H 365 3.820 3.820 4.359 -0.539 17812 3223 1 9 . 1 1 365 365 VAL CA C 365 61.613 61.613 60.120 1.493 17812 3224 1 9 . 1 1 365 365 VAL CB C 365 32.428 32.428 33.618 -1.190 17812 3225 1 9 . 1 1 365 365 VAL H H 365 8.695 8.695 8.422 0.273 17812 3226 1 9 . 1 1 366 366 PRO HA H 366 4.457 4.457 4.713 -0.256 17812 3227 1 9 . 1 1 366 366 PRO C C 366 175.679 175.679 176.139 -0.460 17812 3228 1 9 . 1 1 366 366 PRO CA C 366 63.224 63.224 62.772 0.452 17812 3229 1 9 . 1 1 366 366 PRO CB C 366 32.526 32.526 32.342 0.184 17812 3230 1 9 . 1 1 367 367 SER N N 367 116.079 116.079 118.353 -2.274 17812 3231 1 9 . 1 1 367 367 SER HA H 367 4.456 4.456 4.350 0.106 17812 3232 1 9 . 1 1 367 367 SER C C 367 174.796 174.796 175.763 -0.967 17812 3233 1 9 . 1 1 367 367 SER CA C 367 58.855 58.855 58.389 0.466 17812 3234 1 9 . 1 1 367 367 SER CB C 367 64.091 64.091 64.046 0.045 17812 3235 1 9 . 1 1 367 367 SER H H 367 8.648 8.648 8.564 0.084 17812 3236 1 9 . 1 1 368 368 GLU N N 368 122.642 122.642 121.691 0.951 17812 3237 1 9 . 1 1 368 368 GLU HA H 368 4.275 4.275 4.225 0.050 17812 3238 1 9 . 1 1 368 368 GLU CA C 368 57.631 57.631 57.777 -0.146 17812 3239 1 9 . 1 1 368 368 GLU CB C 368 30.124 30.124 30.037 0.087 17812 3240 1 9 . 1 1 368 368 GLU H H 368 8.629 8.629 8.649 -0.020 17812 3241 1 9 . 1 1 369 369 ASP N N 369 120.686 120.686 119.146 1.540 17812 3242 1 9 . 1 1 369 369 ASP HA H 369 4.332 4.332 4.721 -0.389 17812 3243 1 9 . 1 1 369 369 ASP CA C 369 57.181 57.181 53.627 3.554 17812 3244 1 9 . 1 1 369 369 ASP CB C 369 41.404 41.404 41.740 -0.337 17812 3245 1 9 . 1 1 369 369 ASP H H 369 8.614 8.614 8.045 0.569 17812 3246 1 9 . 1 1 370 370 GLU N N 370 115.631 115.631 120.150 -4.519 17812 3247 1 9 . 1 1 370 370 GLU HA H 370 4.861 4.861 4.455 0.406 17812 3248 1 9 . 1 1 370 370 GLU C C 370 175.047 175.047 175.738 -0.691 17812 3249 1 9 . 1 1 370 370 GLU CA C 370 54.687 54.687 55.542 -0.855 17812 3250 1 9 . 1 1 370 370 GLU CB C 370 32.837 32.837 30.610 2.227 17812 3251 1 9 . 1 1 370 370 GLU H H 370 7.823 7.823 8.485 -0.662 17812 3252 1 9 . 1 1 371 371 TRP N N 371 124.056 124.056 123.875 0.181 17812 3253 1 9 . 1 1 371 371 TRP HA H 371 4.311 4.311 4.634 -0.323 17812 3254 1 9 . 1 1 371 371 TRP C C 371 171.586 171.586 173.696 -2.110 17812 3255 1 9 . 1 1 371 371 TRP CA C 371 59.845 59.845 56.164 3.681 17812 3256 1 9 . 1 1 371 371 TRP CB C 371 31.317 31.317 30.577 0.740 17812 3257 1 9 . 1 1 371 371 TRP H H 371 9.205 9.205 8.265 0.940 17812 3258 1 9 . 1 1 372 372 TYR N N 372 122.933 122.933 122.746 0.187 17812 3259 1 9 . 1 1 372 372 TYR HA H 372 5.217 5.217 4.103 1.114 17812 3260 1 9 . 1 1 372 372 TYR C C 372 173.821 173.821 175.301 -1.480 17812 3261 1 9 . 1 1 372 372 TYR CA C 372 54.963 54.963 55.175 -0.212 17812 3262 1 9 . 1 1 372 372 TYR CB C 372 41.593 41.593 40.347 1.246 17812 3263 1 9 . 1 1 372 372 TYR H H 372 6.907 6.907 7.850 -0.943 17812 3264 1 9 . 1 1 373 373 CYS N N 373 127.647 127.647 119.087 8.560 17812 3265 1 9 . 1 1 373 373 CYS HA H 373 3.530 3.530 3.363 0.167 17812 3266 1 9 . 1 1 373 373 CYS CA C 373 57.539 57.539 55.957 1.582 17812 3267 1 9 . 1 1 373 373 CYS CB C 373 30.549 30.549 26.423 4.126 17812 3268 1 9 . 1 1 373 373 CYS H H 373 9.310 9.310 7.938 1.372 17812 3269 1 9 . 1 1 374 374 PRO HA H 374 3.987 3.987 3.992 -0.005 17812 3270 1 9 . 1 1 374 374 PRO C C 374 178.008 178.008 178.269 -0.261 17812 3271 1 9 . 1 1 374 374 PRO CA C 374 65.504 65.504 65.503 0.001 17812 3272 1 9 . 1 1 374 374 PRO CB C 374 32.293 32.293 31.835 0.458 17812 3273 1 9 . 1 1 375 375 GLU N N 375 116.759 116.759 117.277 -0.518 17812 3274 1 9 . 1 1 375 375 GLU HA H 375 4.237 4.237 4.123 0.114 17812 3275 1 9 . 1 1 375 375 GLU C C 375 177.054 177.054 179.199 -2.145 17812 3276 1 9 . 1 1 375 375 GLU CA C 375 58.479 58.479 59.158 -0.680 17812 3277 1 9 . 1 1 375 375 GLU CB C 375 30.939 30.939 29.494 1.444 17812 3278 1 9 . 1 1 375 375 GLU H H 375 8.111 8.111 8.627 -0.516 17812 3279 1 9 . 1 1 376 376 CYS N N 376 122.642 122.642 116.804 5.838 17812 3280 1 9 . 1 1 376 376 CYS HA H 376 4.055 4.055 4.211 -0.156 17812 3281 1 9 . 1 1 376 376 CYS CA C 376 62.498 62.498 61.768 0.730 17812 3282 1 9 . 1 1 376 376 CYS CB C 376 31.379 31.379 26.324 5.055 17812 3283 1 9 . 1 1 376 376 CYS H H 376 8.075 8.075 7.503 0.572 17812 3284 1 9 . 1 1 377 377 ARG N N 377 117.680 117.680 119.208 -1.528 17812 3285 1 9 . 1 1 377 377 ARG HA H 377 3.948 3.948 4.257 -0.309 17812 3286 1 9 . 1 1 377 377 ARG C C 377 56.425 56.425 176.214 -119.789 17812 3287 1 9 . 1 1 377 377 ARG CB C 377 30.678 30.678 29.665 1.013 17812 3288 1 9 . 1 1 377 377 ARG H H 377 7.856 7.856 7.597 0.259 17812 3289 1 9 . 1 1 378 378 ASN N N 378 119.726 119.726 116.558 3.168 17812 3290 1 9 . 1 1 378 378 ASN HA H 378 4.695 4.695 4.672 0.023 17812 3291 1 9 . 1 1 378 378 ASN C C 378 173.554 173.554 174.947 -1.393 17812 3292 1 9 . 1 1 378 378 ASN CA C 378 53.204 53.204 53.144 0.060 17812 3293 1 9 . 1 1 378 378 ASN CB C 378 39.516 39.516 38.423 1.093 17812 3294 1 9 . 1 1 378 378 ASN H H 378 8.189 8.189 7.849 0.340 17812 3295 1 10 . 1 1 312 312 GLY N N 312 110.352 110.352 110.364 -0.012 17812 3296 1 10 . 1 1 312 312 GLY CA C 312 44.546 44.546 44.531 0.016 17812 3297 1 10 . 1 1 312 312 GLY H H 312 7.809 7.809 8.341 -0.532 17812 3298 1 10 . 1 1 313 313 PRO HA H 313 4.433 4.433 4.460 -0.027 17812 3299 1 10 . 1 1 313 313 PRO CA C 313 62.527 62.527 62.118 0.409 17812 3300 1 10 . 1 1 313 313 PRO CB C 313 31.680 31.680 32.521 -0.841 17812 3301 1 10 . 1 1 314 314 SER N N 314 120.711 120.711 115.290 5.421 17812 3302 1 10 . 1 1 314 314 SER HA H 314 4.331 4.331 4.276 0.055 17812 3303 1 10 . 1 1 314 314 SER C C 314 174.789 174.789 174.688 0.101 17812 3304 1 10 . 1 1 314 314 SER CA C 314 60.627 60.627 59.916 0.711 17812 3305 1 10 . 1 1 314 314 SER CB C 314 63.925 63.925 63.221 0.704 17812 3306 1 10 . 1 1 314 314 SER H H 314 10.435 10.435 8.491 1.944 17812 3307 1 10 . 1 1 315 315 CYS N N 315 125.240 125.240 120.917 4.323 17812 3308 1 10 . 1 1 315 315 CYS HA H 315 4.698 4.698 4.606 0.092 17812 3309 1 10 . 1 1 315 315 CYS C C 315 176.852 176.852 174.611 2.241 17812 3310 1 10 . 1 1 315 315 CYS CA C 315 58.281 58.281 57.868 0.412 17812 3311 1 10 . 1 1 315 315 CYS CB C 315 32.487 32.487 28.259 4.228 17812 3312 1 10 . 1 1 315 315 CYS H H 315 9.159 9.159 7.852 1.307 17812 3313 1 10 . 1 1 316 316 LYS N N 316 127.250 127.250 125.965 1.285 17812 3314 1 10 . 1 1 316 316 LYS HA H 316 4.005 4.005 4.240 -0.235 17812 3315 1 10 . 1 1 316 316 LYS C C 316 176.341 176.341 177.420 -1.079 17812 3316 1 10 . 1 1 316 316 LYS CA C 316 58.026 58.026 57.611 0.415 17812 3317 1 10 . 1 1 316 316 LYS CB C 316 32.116 32.116 32.291 -0.175 17812 3318 1 10 . 1 1 316 316 LYS H H 316 8.951 8.951 8.550 0.401 17812 3319 1 10 . 1 1 317 317 HIS N N 317 121.622 121.622 119.731 1.891 17812 3320 1 10 . 1 1 317 317 HIS HA H 317 4.367 4.367 4.469 -0.102 17812 3321 1 10 . 1 1 317 317 HIS C C 317 176.348 176.348 177.221 -0.873 17812 3322 1 10 . 1 1 317 317 HIS CA C 317 59.351 59.351 59.615 -0.264 17812 3323 1 10 . 1 1 317 317 HIS CB C 317 31.034 31.034 29.245 1.789 17812 3324 1 10 . 1 1 317 317 HIS H H 317 8.882 8.882 7.437 1.445 17812 3325 1 10 . 1 1 318 318 CYS N N 318 115.222 115.222 118.096 -2.874 17812 3326 1 10 . 1 1 318 318 CYS HA H 318 4.839 4.839 4.265 0.574 17812 3327 1 10 . 1 1 318 318 CYS C C 318 176.909 176.909 176.066 0.843 17812 3328 1 10 . 1 1 318 318 CYS CA C 318 58.040 58.040 62.767 -4.727 17812 3329 1 10 . 1 1 318 318 CYS CB C 318 31.925 31.925 26.251 5.674 17812 3330 1 10 . 1 1 318 318 CYS H H 318 8.081 8.081 7.836 0.245 17812 3331 1 10 . 1 1 319 319 LYS N N 319 119.827 119.827 118.611 1.216 17812 3332 1 10 . 1 1 319 319 LYS HA H 319 3.886 3.886 4.053 -0.167 17812 3333 1 10 . 1 1 319 319 LYS C C 319 174.670 174.670 178.646 -3.976 17812 3334 1 10 . 1 1 319 319 LYS CA C 319 57.728 57.728 59.097 -1.369 17812 3335 1 10 . 1 1 319 319 LYS CB C 319 28.902 28.902 32.472 -3.570 17812 3336 1 10 . 1 1 319 319 LYS H H 319 7.895 7.895 8.162 -0.267 17812 3337 1 10 . 1 1 320 320 ASP N N 320 117.610 117.610 118.031 -0.421 17812 3338 1 10 . 1 1 320 320 ASP HA H 320 4.206 4.206 4.430 -0.224 17812 3339 1 10 . 1 1 320 320 ASP C C 320 174.861 174.861 177.201 -2.340 17812 3340 1 10 . 1 1 320 320 ASP CA C 320 54.551 54.551 56.449 -1.898 17812 3341 1 10 . 1 1 320 320 ASP CB C 320 38.354 38.354 41.119 -2.765 17812 3342 1 10 . 1 1 320 320 ASP H H 320 8.873 8.873 7.831 1.042 17812 3343 1 10 . 1 1 321 321 ASP N N 321 118.813 118.813 118.387 0.426 17812 3344 1 10 . 1 1 321 321 ASP HA H 321 4.595 4.595 4.958 -0.363 17812 3345 1 10 . 1 1 321 321 ASP C C 321 176.386 176.386 176.717 -0.331 17812 3346 1 10 . 1 1 321 321 ASP CA C 321 53.781 53.781 53.036 0.745 17812 3347 1 10 . 1 1 321 321 ASP CB C 321 40.782 40.782 40.697 0.085 17812 3348 1 10 . 1 1 321 321 ASP H H 321 7.212 7.212 7.995 -0.783 17812 3349 1 10 . 1 1 322 322 VAL N N 322 122.228 122.228 117.902 4.326 17812 3350 1 10 . 1 1 322 322 VAL HA H 322 3.866 3.866 3.845 0.021 17812 3351 1 10 . 1 1 322 322 VAL CA C 322 63.885 63.885 64.468 -0.583 17812 3352 1 10 . 1 1 322 322 VAL CB C 322 31.385 31.385 31.933 -0.548 17812 3353 1 10 . 1 1 322 322 VAL H H 322 8.060 8.060 7.788 0.272 17812 3354 1 10 . 1 1 323 323 ASN N N 323 117.787 117.787 116.013 1.774 17812 3355 1 10 . 1 1 323 323 ASN HA H 323 4.710 4.710 4.665 0.045 17812 3356 1 10 . 1 1 323 323 ASN CA C 323 54.065 54.065 53.686 0.379 17812 3357 1 10 . 1 1 323 323 ASN CB C 323 38.876 38.876 38.299 0.577 17812 3358 1 10 . 1 1 323 323 ASN H H 323 8.486 8.486 8.370 0.116 17812 3359 1 10 . 1 1 324 324 ARG N N 324 120.106 120.106 119.998 0.108 17812 3360 1 10 . 1 1 324 324 ARG HA H 324 4.632 4.632 4.538 0.094 17812 3361 1 10 . 1 1 324 324 ARG C C 324 175.881 175.881 174.917 0.964 17812 3362 1 10 . 1 1 324 324 ARG CA C 324 54.488 54.488 55.037 -0.549 17812 3363 1 10 . 1 1 324 324 ARG CB C 324 32.709 32.709 32.025 0.684 17812 3364 1 10 . 1 1 324 324 ARG H H 324 7.955 7.955 7.636 0.319 17812 3365 1 10 . 1 1 325 325 LEU N N 325 123.983 123.983 122.255 1.728 17812 3366 1 10 . 1 1 325 325 LEU HA H 325 4.422 4.422 4.460 -0.038 17812 3367 1 10 . 1 1 325 325 LEU C C 325 177.647 177.647 176.408 1.239 17812 3368 1 10 . 1 1 325 325 LEU CA C 325 54.910 54.910 54.832 0.078 17812 3369 1 10 . 1 1 325 325 LEU CB C 325 42.720 42.720 43.104 -0.384 17812 3370 1 10 . 1 1 325 325 LEU H H 325 8.423 8.423 8.231 0.192 17812 3371 1 10 . 1 1 326 326 CYS N N 326 123.693 123.693 126.277 -2.584 17812 3372 1 10 . 1 1 326 326 CYS HA H 326 4.474 4.474 4.748 -0.274 17812 3373 1 10 . 1 1 326 326 CYS C C 326 174.472 174.472 175.477 -1.005 17812 3374 1 10 . 1 1 326 326 CYS CA C 326 60.503 60.503 57.578 2.925 17812 3375 1 10 . 1 1 326 326 CYS CB C 326 32.551 32.551 28.148 4.403 17812 3376 1 10 . 1 1 326 326 CYS H H 326 9.277 9.277 8.650 0.627 17812 3377 1 10 . 1 1 327 327 ARG N N 327 126.881 126.881 126.044 0.837 17812 3378 1 10 . 1 1 327 327 ARG HA H 327 4.579 4.579 4.097 0.482 17812 3379 1 10 . 1 1 327 327 ARG C C 327 175.128 175.128 177.871 -2.743 17812 3380 1 10 . 1 1 327 327 ARG CA C 327 56.522 56.522 58.669 -2.147 17812 3381 1 10 . 1 1 327 327 ARG CB C 327 29.116 29.116 30.274 -1.158 17812 3382 1 10 . 1 1 327 327 ARG H H 327 8.880 8.880 8.690 0.190 17812 3383 1 10 . 1 1 328 328 VAL N N 328 123.112 123.112 117.418 5.694 17812 3384 1 10 . 1 1 328 328 VAL HA H 328 4.139 4.139 3.811 0.328 17812 3385 1 10 . 1 1 328 328 VAL C C 328 176.618 176.618 176.412 0.206 17812 3386 1 10 . 1 1 328 328 VAL CA C 328 65.790 65.790 64.942 0.848 17812 3387 1 10 . 1 1 328 328 VAL CB C 328 32.296 32.296 31.861 0.435 17812 3388 1 10 . 1 1 328 328 VAL H H 328 9.058 9.058 7.968 1.090 17812 3389 1 10 . 1 1 329 329 CYS N N 329 117.822 117.822 118.941 -1.119 17812 3390 1 10 . 1 1 329 329 CYS HA H 329 4.975 4.975 4.656 0.319 17812 3391 1 10 . 1 1 329 329 CYS C C 329 174.466 174.466 173.220 1.246 17812 3392 1 10 . 1 1 329 329 CYS CA C 329 58.446 58.446 57.241 1.205 17812 3393 1 10 . 1 1 329 329 CYS CB C 329 31.850 31.850 25.407 6.443 17812 3394 1 10 . 1 1 329 329 CYS H H 329 8.372 8.372 7.639 0.733 17812 3395 1 10 . 1 1 330 330 ALA N N 330 130.671 130.671 123.643 7.028 17812 3396 1 10 . 1 1 330 330 ALA HA H 330 4.575 4.575 4.455 0.120 17812 3397 1 10 . 1 1 330 330 ALA C C 330 175.000 175.000 175.253 -0.253 17812 3398 1 10 . 1 1 330 330 ALA CA C 330 50.393 50.393 50.849 -0.455 17812 3399 1 10 . 1 1 330 330 ALA CB C 330 19.244 19.244 20.589 -1.345 17812 3400 1 10 . 1 1 330 330 ALA H H 330 7.030 7.030 7.596 -0.566 17812 3401 1 10 . 1 1 331 331 CYS N N 331 118.585 118.585 119.882 -1.297 17812 3402 1 10 . 1 1 331 331 CYS HA H 331 3.587 3.587 4.468 -0.881 17812 3403 1 10 . 1 1 331 331 CYS C C 331 177.953 177.953 177.029 0.924 17812 3404 1 10 . 1 1 331 331 CYS CA C 331 60.241 60.241 60.210 0.031 17812 3405 1 10 . 1 1 331 331 CYS CB C 331 30.524 30.524 26.490 4.034 17812 3406 1 10 . 1 1 331 331 CYS H H 331 7.081 7.081 8.421 -1.340 17812 3407 1 10 . 1 1 332 332 HIS N N 332 127.546 127.546 127.550 -0.004 17812 3408 1 10 . 1 1 332 332 HIS HA H 332 4.752 4.752 4.247 0.505 17812 3409 1 10 . 1 1 332 332 HIS C C 332 174.236 174.236 174.314 -0.078 17812 3410 1 10 . 1 1 332 332 HIS CA C 332 56.287 56.287 58.359 -2.072 17812 3411 1 10 . 1 1 332 332 HIS CB C 332 28.769 28.769 30.020 -1.251 17812 3412 1 10 . 1 1 332 332 HIS H H 332 9.757 9.757 8.926 0.831 17812 3413 1 10 . 1 1 333 333 LEU N N 333 118.061 118.061 117.613 0.448 17812 3414 1 10 . 1 1 333 333 LEU HA H 333 4.580 4.580 4.362 0.218 17812 3415 1 10 . 1 1 333 333 LEU C C 333 177.564 177.564 177.369 0.195 17812 3416 1 10 . 1 1 333 333 LEU CA C 333 56.046 56.046 53.922 2.124 17812 3417 1 10 . 1 1 333 333 LEU CB C 333 42.986 42.986 43.391 -0.405 17812 3418 1 10 . 1 1 333 333 LEU H H 333 8.773 8.773 7.956 0.817 17812 3419 1 10 . 1 1 334 334 CYS N N 334 118.393 118.393 119.749 -1.356 17812 3420 1 10 . 1 1 334 334 CYS HA H 334 5.084 5.084 4.169 0.915 17812 3421 1 10 . 1 1 334 334 CYS C C 334 176.736 176.736 175.930 0.806 17812 3422 1 10 . 1 1 334 334 CYS CA C 334 58.973 58.973 59.544 -0.571 17812 3423 1 10 . 1 1 334 334 CYS CB C 334 32.481 32.481 26.269 6.212 17812 3424 1 10 . 1 1 334 334 CYS H H 334 8.310 8.310 9.176 -0.866 17812 3425 1 10 . 1 1 335 335 GLY N N 335 115.992 115.992 113.537 2.455 17812 3426 1 10 . 1 1 335 335 GLY C C 335 172.059 172.059 174.723 -2.664 17812 3427 1 10 . 1 1 335 335 GLY CA C 335 45.652 45.652 45.578 0.074 17812 3428 1 10 . 1 1 335 335 GLY H H 335 8.596 8.596 8.283 0.313 17812 3429 1 10 . 1 1 336 336 GLY N N 336 111.360 111.360 106.468 4.892 17812 3430 1 10 . 1 1 336 336 GLY C C 336 174.101 174.101 172.580 1.521 17812 3431 1 10 . 1 1 336 336 GLY CA C 336 44.987 44.987 43.906 1.081 17812 3432 1 10 . 1 1 336 336 GLY H H 336 9.594 9.594 8.077 1.517 17812 3433 1 10 . 1 1 337 337 ARG N N 337 118.859 118.859 119.000 -0.141 17812 3434 1 10 . 1 1 337 337 ARG HA H 337 4.413 4.413 4.615 -0.202 17812 3435 1 10 . 1 1 337 337 ARG C C 337 177.635 177.635 174.757 2.878 17812 3436 1 10 . 1 1 337 337 ARG CA C 337 55.364 55.364 55.983 -0.619 17812 3437 1 10 . 1 1 337 337 ARG CB C 337 31.337 31.337 31.117 0.220 17812 3438 1 10 . 1 1 337 337 ARG H H 337 8.827 8.827 8.452 0.375 17812 3439 1 10 . 1 1 338 338 GLN N N 338 120.950 120.950 121.239 -0.289 17812 3440 1 10 . 1 1 338 338 GLN HA H 338 4.376 4.376 4.525 -0.149 17812 3441 1 10 . 1 1 338 338 GLN C C 338 176.420 176.420 174.855 1.565 17812 3442 1 10 . 1 1 338 338 GLN CA C 338 55.694 55.694 55.093 0.601 17812 3443 1 10 . 1 1 338 338 GLN CB C 338 28.096 28.096 31.558 -3.462 17812 3444 1 10 . 1 1 338 338 GLN H H 338 9.568 9.568 8.404 1.164 17812 3445 1 10 . 1 1 339 339 ASP N N 339 117.880 117.880 122.072 -4.192 17812 3446 1 10 . 1 1 339 339 ASP HA H 339 4.625 4.625 4.401 0.224 17812 3447 1 10 . 1 1 339 339 ASP CA C 339 55.283 55.283 54.601 0.682 17812 3448 1 10 . 1 1 339 339 ASP CB C 339 41.092 41.092 39.862 1.230 17812 3449 1 10 . 1 1 339 339 ASP H H 339 9.681 9.681 8.863 0.818 17812 3450 1 10 . 1 1 340 340 PRO HA H 340 4.140 4.140 3.966 0.174 17812 3451 1 10 . 1 1 340 340 PRO C C 340 177.463 177.463 177.739 -0.276 17812 3452 1 10 . 1 1 340 340 PRO CA C 340 65.883 65.883 64.767 1.116 17812 3453 1 10 . 1 1 340 340 PRO CB C 340 30.045 30.045 31.737 -1.692 17812 3454 1 10 . 1 1 341 341 ASP N N 341 115.117 115.117 115.598 -0.481 17812 3455 1 10 . 1 1 341 341 ASP HA H 341 4.642 4.642 4.419 0.223 17812 3456 1 10 . 1 1 341 341 ASP C C 341 175.663 175.663 176.811 -1.148 17812 3457 1 10 . 1 1 341 341 ASP CA C 341 54.735 54.735 55.263 -0.528 17812 3458 1 10 . 1 1 341 341 ASP CB C 341 39.135 39.135 39.706 -0.571 17812 3459 1 10 . 1 1 341 341 ASP H H 341 9.176 9.176 8.530 0.646 17812 3460 1 10 . 1 1 342 342 LYS N N 342 117.582 117.582 117.596 -0.014 17812 3461 1 10 . 1 1 342 342 LYS HA H 342 4.351 4.351 4.312 0.039 17812 3462 1 10 . 1 1 342 342 LYS CA C 342 54.496 54.496 55.857 -1.361 17812 3463 1 10 . 1 1 342 342 LYS CB C 342 33.968 33.968 32.493 1.475 17812 3464 1 10 . 1 1 342 342 LYS H H 342 8.056 8.056 7.403 0.653 17812 3465 1 10 . 1 1 343 343 GLN N N 343 119.535 119.535 118.290 1.245 17812 3466 1 10 . 1 1 343 343 GLN HA H 343 4.510 4.510 3.730 0.780 17812 3467 1 10 . 1 1 343 343 GLN C C 343 175.176 175.176 175.123 0.053 17812 3468 1 10 . 1 1 343 343 GLN CA C 343 54.652 54.652 55.591 -0.939 17812 3469 1 10 . 1 1 343 343 GLN CB C 343 29.270 29.270 29.063 0.207 17812 3470 1 10 . 1 1 343 343 GLN H H 343 7.174 7.174 6.948 0.226 17812 3471 1 10 . 1 1 344 344 LEU N N 344 124.836 124.836 125.424 -0.588 17812 3472 1 10 . 1 1 344 344 LEU HA H 344 4.307 4.307 4.632 -0.325 17812 3473 1 10 . 1 1 344 344 LEU CA C 344 53.564 53.564 54.155 -0.591 17812 3474 1 10 . 1 1 344 344 LEU CB C 344 44.381 44.381 43.892 0.489 17812 3475 1 10 . 1 1 344 344 LEU H H 344 8.215 8.215 8.693 -0.478 17812 3476 1 10 . 1 1 345 345 MET N N 345 119.349 119.349 123.406 -4.057 17812 3477 1 10 . 1 1 345 345 MET HA H 345 5.433 5.433 5.354 0.079 17812 3478 1 10 . 1 1 345 345 MET C C 345 175.462 175.462 175.315 0.147 17812 3479 1 10 . 1 1 345 345 MET CA C 345 52.877 52.877 53.904 -1.027 17812 3480 1 10 . 1 1 345 345 MET CB C 345 32.312 32.312 36.009 -3.697 17812 3481 1 10 . 1 1 345 345 MET H H 345 8.086 8.086 8.295 -0.209 17812 3482 1 10 . 1 1 346 346 CYS N N 346 124.792 124.792 124.477 0.315 17812 3483 1 10 . 1 1 346 346 CYS HA H 346 4.751 4.751 4.996 -0.245 17812 3484 1 10 . 1 1 346 346 CYS C C 346 177.998 177.998 175.861 2.137 17812 3485 1 10 . 1 1 346 346 CYS CA C 346 60.088 60.088 57.524 2.564 17812 3486 1 10 . 1 1 346 346 CYS CB C 346 32.345 32.345 30.094 2.251 17812 3487 1 10 . 1 1 346 346 CYS H H 346 9.088 9.088 8.858 0.230 17812 3488 1 10 . 1 1 347 347 ASP N N 347 129.440 129.440 127.860 1.580 17812 3489 1 10 . 1 1 347 347 ASP HA H 347 4.624 4.624 4.669 -0.045 17812 3490 1 10 . 1 1 347 347 ASP C C 347 174.755 174.755 177.839 -3.084 17812 3491 1 10 . 1 1 347 347 ASP CA C 347 57.932 57.932 56.693 1.239 17812 3492 1 10 . 1 1 347 347 ASP CB C 347 41.115 41.115 41.012 0.103 17812 3493 1 10 . 1 1 347 347 ASP H H 347 9.154 9.154 8.908 0.246 17812 3494 1 10 . 1 1 348 348 GLU N N 348 124.253 124.253 118.385 5.868 17812 3495 1 10 . 1 1 348 348 GLU HA H 348 4.895 4.895 4.216 0.679 17812 3496 1 10 . 1 1 348 348 GLU C C 348 176.439 176.439 177.698 -1.259 17812 3497 1 10 . 1 1 348 348 GLU CA C 348 58.673 58.673 58.571 0.102 17812 3498 1 10 . 1 1 348 348 GLU CB C 348 30.510 30.510 30.287 0.223 17812 3499 1 10 . 1 1 348 348 GLU H H 348 9.615 9.615 8.549 1.066 17812 3500 1 10 . 1 1 349 349 CYS N N 349 119.153 119.153 115.656 3.497 17812 3501 1 10 . 1 1 349 349 CYS HA H 349 4.778 4.778 4.680 0.098 17812 3502 1 10 . 1 1 349 349 CYS CA C 349 60.216 60.216 59.212 1.004 17812 3503 1 10 . 1 1 349 349 CYS CB C 349 32.008 32.008 28.714 3.294 17812 3504 1 10 . 1 1 349 349 CYS H H 349 8.522 8.522 7.803 0.719 17812 3505 1 10 . 1 1 350 350 ASP N N 350 115.218 115.218 119.505 -4.287 17812 3506 1 10 . 1 1 350 350 ASP HA H 350 4.492 4.492 4.389 0.103 17812 3507 1 10 . 1 1 350 350 ASP CA C 350 55.086 55.086 55.406 -0.320 17812 3508 1 10 . 1 1 350 350 ASP CB C 350 41.386 41.386 38.267 3.119 17812 3509 1 10 . 1 1 350 350 ASP H H 350 7.813 7.813 8.769 -0.956 17812 3510 1 10 . 1 1 351 351 MET N N 351 117.029 117.029 115.941 1.088 17812 3511 1 10 . 1 1 351 351 MET HA H 351 4.520 4.520 4.754 -0.234 17812 3512 1 10 . 1 1 351 351 MET C C 351 173.497 173.497 174.853 -1.356 17812 3513 1 10 . 1 1 351 351 MET CA C 351 54.706 54.706 54.271 0.435 17812 3514 1 10 . 1 1 351 351 MET CB C 351 34.605 34.605 36.747 -2.142 17812 3515 1 10 . 1 1 351 351 MET H H 351 8.162 8.162 7.467 0.695 17812 3516 1 10 . 1 1 352 352 ALA N N 352 123.068 123.068 122.459 0.609 17812 3517 1 10 . 1 1 352 352 ALA HA H 352 5.528 5.528 5.534 -0.006 17812 3518 1 10 . 1 1 352 352 ALA C C 352 177.545 177.545 176.205 1.340 17812 3519 1 10 . 1 1 352 352 ALA CA C 352 49.943 49.943 50.661 -0.718 17812 3520 1 10 . 1 1 352 352 ALA CB C 352 22.111 22.111 21.035 1.076 17812 3521 1 10 . 1 1 352 352 ALA H H 352 8.499 8.499 8.486 0.013 17812 3522 1 10 . 1 1 353 353 PHE N N 353 116.057 116.057 117.989 -1.932 17812 3523 1 10 . 1 1 353 353 PHE HA H 353 5.106 5.106 5.024 0.082 17812 3524 1 10 . 1 1 353 353 PHE C C 353 176.868 176.868 176.423 0.445 17812 3525 1 10 . 1 1 353 353 PHE CA C 353 56.416 56.416 57.250 -0.834 17812 3526 1 10 . 1 1 353 353 PHE CB C 353 43.111 43.111 43.198 -0.087 17812 3527 1 10 . 1 1 353 353 PHE H H 353 9.164 9.164 8.247 0.917 17812 3528 1 10 . 1 1 354 354 HIS N N 354 124.053 124.053 121.104 2.949 17812 3529 1 10 . 1 1 354 354 HIS HA H 354 4.650 4.650 4.208 0.442 17812 3530 1 10 . 1 1 354 354 HIS C C 354 180.505 180.505 176.930 3.575 17812 3531 1 10 . 1 1 354 354 HIS CA C 354 58.931 58.931 57.771 1.160 17812 3532 1 10 . 1 1 354 354 HIS CB C 354 31.235 31.235 28.960 2.275 17812 3533 1 10 . 1 1 354 354 HIS H H 354 9.388 9.388 9.181 0.207 17812 3534 1 10 . 1 1 355 355 ILE N N 355 115.081 115.081 118.518 -3.437 17812 3535 1 10 . 1 1 355 355 ILE HA H 355 3.928 3.928 3.710 0.218 17812 3536 1 10 . 1 1 355 355 ILE C C 355 175.451 175.451 175.719 -0.268 17812 3537 1 10 . 1 1 355 355 ILE CA C 355 65.726 65.726 63.920 1.806 17812 3538 1 10 . 1 1 355 355 ILE CB C 355 36.292 36.292 37.102 -0.810 17812 3539 1 10 . 1 1 355 355 ILE H H 355 8.568 8.568 8.159 0.409 17812 3540 1 10 . 1 1 356 356 TYR N N 356 110.787 110.787 113.005 -2.218 17812 3541 1 10 . 1 1 356 356 TYR HA H 356 4.801 4.801 4.645 0.156 17812 3542 1 10 . 1 1 356 356 TYR C C 356 177.073 177.073 175.703 1.370 17812 3543 1 10 . 1 1 356 356 TYR CA C 356 55.362 55.362 57.587 -2.225 17812 3544 1 10 . 1 1 356 356 TYR CB C 356 36.767 36.767 38.569 -1.802 17812 3545 1 10 . 1 1 356 356 TYR H H 356 6.117 6.117 7.370 -1.253 17812 3546 1 10 . 1 1 357 357 CYS N N 357 121.584 121.584 118.144 3.440 17812 3547 1 10 . 1 1 357 357 CYS HA H 357 4.537 4.537 3.797 0.740 17812 3548 1 10 . 1 1 357 357 CYS C C 357 174.868 174.868 175.235 -0.367 17812 3549 1 10 . 1 1 357 357 CYS CA C 357 62.349 62.349 59.300 3.049 17812 3550 1 10 . 1 1 357 357 CYS CB C 357 31.087 31.087 26.570 4.517 17812 3551 1 10 . 1 1 357 357 CYS H H 357 7.603 7.603 7.147 0.456 17812 3552 1 10 . 1 1 358 358 LEU N N 358 119.134 119.134 121.381 -2.247 17812 3553 1 10 . 1 1 358 358 LEU HA H 358 4.040 4.040 4.366 -0.326 17812 3554 1 10 . 1 1 358 358 LEU CA C 358 55.465 55.465 55.109 0.356 17812 3555 1 10 . 1 1 358 358 LEU CB C 358 44.020 44.020 42.283 1.737 17812 3556 1 10 . 1 1 358 358 LEU H H 358 6.387 6.387 7.477 -1.090 17812 3557 1 10 . 1 1 359 359 ASP N N 359 117.020 117.020 121.435 -4.415 17812 3558 1 10 . 1 1 359 359 ASP HA H 359 4.985 4.985 4.487 0.498 17812 3559 1 10 . 1 1 359 359 ASP CA C 359 50.354 50.354 55.661 -5.307 17812 3560 1 10 . 1 1 359 359 ASP CB C 359 43.465 43.465 38.786 4.679 17812 3561 1 10 . 1 1 359 359 ASP H H 359 8.167 8.167 8.502 -0.335 17812 3562 1 10 . 1 1 360 360 PRO HA H 360 5.202 5.202 4.548 0.654 17812 3563 1 10 . 1 1 360 360 PRO CA C 360 62.131 62.131 62.172 -0.041 17812 3564 1 10 . 1 1 360 360 PRO CB C 360 33.173 33.173 31.436 1.737 17812 3565 1 10 . 1 1 361 361 PRO HA H 361 4.462 4.462 4.522 -0.060 17812 3566 1 10 . 1 1 361 361 PRO C C 361 177.733 177.733 177.325 0.408 17812 3567 1 10 . 1 1 361 361 PRO CA C 361 63.068 63.068 61.956 1.112 17812 3568 1 10 . 1 1 361 361 PRO CB C 361 32.301 32.301 32.901 -0.600 17812 3569 1 10 . 1 1 362 362 LEU N N 362 121.043 121.043 120.986 0.057 17812 3570 1 10 . 1 1 362 362 LEU HA H 362 4.761 4.761 4.456 0.305 17812 3571 1 10 . 1 1 362 362 LEU C C 362 177.392 177.392 177.955 -0.563 17812 3572 1 10 . 1 1 362 362 LEU CA C 362 53.621 53.621 54.539 -0.918 17812 3573 1 10 . 1 1 362 362 LEU CB C 362 43.759 43.759 42.757 1.002 17812 3574 1 10 . 1 1 362 362 LEU H H 362 7.798 7.798 8.142 -0.344 17812 3575 1 10 . 1 1 363 363 SER N N 363 115.324 115.324 115.798 -0.474 17812 3576 1 10 . 1 1 363 363 SER HA H 363 4.377 4.377 4.306 0.071 17812 3577 1 10 . 1 1 363 363 SER C C 363 174.070 174.070 174.471 -0.401 17812 3578 1 10 . 1 1 363 363 SER CA C 363 59.341 59.341 59.958 -0.617 17812 3579 1 10 . 1 1 363 363 SER CB C 363 63.871 63.871 63.560 0.310 17812 3580 1 10 . 1 1 363 363 SER H H 363 8.899 8.899 8.528 0.371 17812 3581 1 10 . 1 1 364 364 SER N N 364 112.898 112.898 114.840 -1.942 17812 3582 1 10 . 1 1 364 364 SER HA H 364 4.451 4.451 4.539 -0.088 17812 3583 1 10 . 1 1 364 364 SER C C 364 173.066 173.066 172.839 0.227 17812 3584 1 10 . 1 1 364 364 SER CA C 364 56.852 56.852 57.678 -0.826 17812 3585 1 10 . 1 1 364 364 SER CB C 364 65.197 65.197 63.759 1.438 17812 3586 1 10 . 1 1 364 364 SER H H 364 7.460 7.460 7.691 -0.231 17812 3587 1 10 . 1 1 365 365 VAL N N 365 123.433 123.433 125.435 -2.002 17812 3588 1 10 . 1 1 365 365 VAL HA H 365 3.820 3.820 4.453 -0.633 17812 3589 1 10 . 1 1 365 365 VAL CA C 365 61.613 61.613 59.091 2.522 17812 3590 1 10 . 1 1 365 365 VAL CB C 365 32.428 32.428 33.186 -0.758 17812 3591 1 10 . 1 1 365 365 VAL H H 365 8.695 8.695 8.347 0.348 17812 3592 1 10 . 1 1 366 366 PRO HA H 366 4.457 4.457 4.712 -0.255 17812 3593 1 10 . 1 1 366 366 PRO C C 366 175.679 175.679 176.357 -0.678 17812 3594 1 10 . 1 1 366 366 PRO CA C 366 63.224 63.224 62.849 0.374 17812 3595 1 10 . 1 1 366 366 PRO CB C 366 32.526 32.526 32.403 0.123 17812 3596 1 10 . 1 1 367 367 SER N N 367 116.079 116.079 118.676 -2.597 17812 3597 1 10 . 1 1 367 367 SER HA H 367 4.456 4.456 4.375 0.081 17812 3598 1 10 . 1 1 367 367 SER C C 367 174.796 174.796 175.864 -1.068 17812 3599 1 10 . 1 1 367 367 SER CA C 367 58.855 58.855 58.486 0.368 17812 3600 1 10 . 1 1 367 367 SER CB C 367 64.091 64.091 64.062 0.029 17812 3601 1 10 . 1 1 367 367 SER H H 367 8.648 8.648 8.576 0.072 17812 3602 1 10 . 1 1 368 368 GLU N N 368 122.642 122.642 121.868 0.774 17812 3603 1 10 . 1 1 368 368 GLU HA H 368 4.275 4.275 4.234 0.041 17812 3604 1 10 . 1 1 368 368 GLU CA C 368 57.631 57.631 57.744 -0.113 17812 3605 1 10 . 1 1 368 368 GLU CB C 368 30.124 30.124 29.999 0.125 17812 3606 1 10 . 1 1 368 368 GLU H H 368 8.629 8.629 8.662 -0.033 17812 3607 1 10 . 1 1 369 369 ASP N N 369 120.686 120.686 120.300 0.386 17812 3608 1 10 . 1 1 369 369 ASP HA H 369 4.332 4.332 4.712 -0.380 17812 3609 1 10 . 1 1 369 369 ASP CA C 369 57.181 57.181 53.777 3.404 17812 3610 1 10 . 1 1 369 369 ASP CB C 369 41.404 41.404 40.763 0.641 17812 3611 1 10 . 1 1 369 369 ASP H H 369 8.614 8.614 8.140 0.474 17812 3612 1 10 . 1 1 370 370 GLU N N 370 115.631 115.631 122.076 -6.445 17812 3613 1 10 . 1 1 370 370 GLU HA H 370 4.861 4.861 4.286 0.575 17812 3614 1 10 . 1 1 370 370 GLU C C 370 175.047 175.047 175.895 -0.848 17812 3615 1 10 . 1 1 370 370 GLU CA C 370 54.687 54.687 56.451 -1.764 17812 3616 1 10 . 1 1 370 370 GLU CB C 370 32.837 32.837 30.285 2.552 17812 3617 1 10 . 1 1 370 370 GLU H H 370 7.823 7.823 8.631 -0.808 17812 3618 1 10 . 1 1 371 371 TRP N N 371 124.056 124.056 125.044 -0.988 17812 3619 1 10 . 1 1 371 371 TRP HA H 371 4.311 4.311 4.714 -0.403 17812 3620 1 10 . 1 1 371 371 TRP C C 371 171.586 171.586 173.491 -1.905 17812 3621 1 10 . 1 1 371 371 TRP CA C 371 59.845 59.845 56.474 3.371 17812 3622 1 10 . 1 1 371 371 TRP CB C 371 31.317 31.317 30.503 0.814 17812 3623 1 10 . 1 1 371 371 TRP H H 371 9.205 9.205 8.544 0.661 17812 3624 1 10 . 1 1 372 372 TYR N N 372 122.933 122.933 121.600 1.333 17812 3625 1 10 . 1 1 372 372 TYR HA H 372 5.217 5.217 4.098 1.119 17812 3626 1 10 . 1 1 372 372 TYR C C 372 173.821 173.821 174.956 -1.135 17812 3627 1 10 . 1 1 372 372 TYR CA C 372 54.963 54.963 55.573 -0.610 17812 3628 1 10 . 1 1 372 372 TYR CB C 372 41.593 41.593 41.120 0.473 17812 3629 1 10 . 1 1 372 372 TYR H H 372 6.907 6.907 7.853 -0.946 17812 3630 1 10 . 1 1 373 373 CYS N N 373 127.647 127.647 121.526 6.121 17812 3631 1 10 . 1 1 373 373 CYS HA H 373 3.530 3.530 3.845 -0.315 17812 3632 1 10 . 1 1 373 373 CYS CA C 373 57.539 57.539 57.200 0.339 17812 3633 1 10 . 1 1 373 373 CYS CB C 373 30.549 30.549 26.655 3.894 17812 3634 1 10 . 1 1 373 373 CYS H H 373 9.310 9.310 8.700 0.610 17812 3635 1 10 . 1 1 374 374 PRO HA H 374 3.987 3.987 4.098 -0.111 17812 3636 1 10 . 1 1 374 374 PRO C C 374 178.008 178.008 177.647 0.361 17812 3637 1 10 . 1 1 374 374 PRO CA C 374 65.504 65.504 65.422 0.082 17812 3638 1 10 . 1 1 374 374 PRO CB C 374 32.293 32.293 31.787 0.506 17812 3639 1 10 . 1 1 375 375 GLU N N 375 116.759 116.759 118.727 -1.968 17812 3640 1 10 . 1 1 375 375 GLU HA H 375 4.237 4.237 4.149 0.088 17812 3641 1 10 . 1 1 375 375 GLU C C 375 177.054 177.054 178.682 -1.628 17812 3642 1 10 . 1 1 375 375 GLU CA C 375 58.479 58.479 58.813 -0.334 17812 3643 1 10 . 1 1 375 375 GLU CB C 375 30.939 30.939 29.460 1.478 17812 3644 1 10 . 1 1 375 375 GLU H H 375 8.111 8.111 8.591 -0.480 17812 3645 1 10 . 1 1 376 376 CYS N N 376 122.642 122.642 116.536 6.106 17812 3646 1 10 . 1 1 376 376 CYS HA H 376 4.055 4.055 4.361 -0.306 17812 3647 1 10 . 1 1 376 376 CYS CA C 376 62.498 62.498 61.290 1.208 17812 3648 1 10 . 1 1 376 376 CYS CB C 376 31.379 31.379 25.866 5.513 17812 3649 1 10 . 1 1 376 376 CYS H H 376 8.075 8.075 8.306 -0.231 17812 3650 1 10 . 1 1 377 377 ARG N N 377 117.680 117.680 118.948 -1.268 17812 3651 1 10 . 1 1 377 377 ARG HA H 377 3.948 3.948 4.201 -0.253 17812 3652 1 10 . 1 1 377 377 ARG C C 377 56.425 56.425 176.402 -119.977 17812 3653 1 10 . 1 1 377 377 ARG CB C 377 30.678 30.678 29.893 0.785 17812 3654 1 10 . 1 1 377 377 ARG H H 377 7.856 7.856 7.659 0.197 17812 3655 1 10 . 1 1 378 378 ASN N N 378 119.726 119.726 116.681 3.045 17812 3656 1 10 . 1 1 378 378 ASN HA H 378 4.695 4.695 4.696 -0.001 17812 3657 1 10 . 1 1 378 378 ASN C C 378 173.554 173.554 174.845 -1.291 17812 3658 1 10 . 1 1 378 378 ASN CA C 378 53.204 53.204 52.863 0.341 17812 3659 1 10 . 1 1 378 378 ASN CB C 378 39.516 39.516 38.003 1.513 17812 3660 1 10 . 1 1 378 378 ASN H H 378 8.189 8.189 7.996 0.193 17812 3661 1 11 . 1 1 312 312 GLY N N 312 110.352 110.352 111.516 -1.164 17812 3662 1 11 . 1 1 312 312 GLY CA C 312 44.546 44.546 44.722 -0.176 17812 3663 1 11 . 1 1 312 312 GLY H H 312 7.809 7.809 8.361 -0.552 17812 3664 1 11 . 1 1 313 313 PRO HA H 313 4.433 4.433 4.224 0.209 17812 3665 1 11 . 1 1 313 313 PRO CA C 313 62.527 62.527 64.225 -1.698 17812 3666 1 11 . 1 1 313 313 PRO CB C 313 31.680 31.680 31.944 -0.264 17812 3667 1 11 . 1 1 314 314 SER N N 314 120.711 120.711 114.208 6.503 17812 3668 1 11 . 1 1 314 314 SER HA H 314 4.331 4.331 4.267 0.064 17812 3669 1 11 . 1 1 314 314 SER C C 314 174.789 174.789 174.549 0.240 17812 3670 1 11 . 1 1 314 314 SER CA C 314 60.627 60.627 60.045 0.582 17812 3671 1 11 . 1 1 314 314 SER CB C 314 63.925 63.925 63.206 0.719 17812 3672 1 11 . 1 1 314 314 SER H H 314 10.435 10.435 8.414 2.021 17812 3673 1 11 . 1 1 315 315 CYS N N 315 125.240 125.240 120.105 5.135 17812 3674 1 11 . 1 1 315 315 CYS HA H 315 4.698 4.698 4.780 -0.082 17812 3675 1 11 . 1 1 315 315 CYS C C 315 176.852 176.852 173.957 2.895 17812 3676 1 11 . 1 1 315 315 CYS CA C 315 58.281 58.281 57.781 0.500 17812 3677 1 11 . 1 1 315 315 CYS CB C 315 32.487 32.487 28.083 4.404 17812 3678 1 11 . 1 1 315 315 CYS H H 315 9.159 9.159 7.633 1.526 17812 3679 1 11 . 1 1 316 316 LYS N N 316 127.250 127.250 126.085 1.165 17812 3680 1 11 . 1 1 316 316 LYS HA H 316 4.005 4.005 4.437 -0.432 17812 3681 1 11 . 1 1 316 316 LYS C C 316 176.341 176.341 176.911 -0.570 17812 3682 1 11 . 1 1 316 316 LYS CA C 316 58.026 58.026 56.483 1.542 17812 3683 1 11 . 1 1 316 316 LYS CB C 316 32.116 32.116 32.406 -0.290 17812 3684 1 11 . 1 1 316 316 LYS H H 316 8.951 8.951 8.358 0.593 17812 3685 1 11 . 1 1 317 317 HIS N N 317 121.622 121.622 117.980 3.642 17812 3686 1 11 . 1 1 317 317 HIS HA H 317 4.367 4.367 4.483 -0.116 17812 3687 1 11 . 1 1 317 317 HIS C C 317 176.348 176.348 176.404 -0.056 17812 3688 1 11 . 1 1 317 317 HIS CA C 317 59.351 59.351 58.573 0.778 17812 3689 1 11 . 1 1 317 317 HIS CB C 317 31.034 31.034 29.935 1.099 17812 3690 1 11 . 1 1 317 317 HIS H H 317 8.882 8.882 7.531 1.351 17812 3691 1 11 . 1 1 318 318 CYS N N 318 115.222 115.222 113.553 1.669 17812 3692 1 11 . 1 1 318 318 CYS HA H 318 4.839 4.839 4.930 -0.091 17812 3693 1 11 . 1 1 318 318 CYS C C 318 176.909 176.909 175.746 1.163 17812 3694 1 11 . 1 1 318 318 CYS CA C 318 58.040 58.040 57.059 0.981 17812 3695 1 11 . 1 1 318 318 CYS CB C 318 31.925 31.925 28.374 3.551 17812 3696 1 11 . 1 1 318 318 CYS H H 318 8.081 8.081 7.940 0.141 17812 3697 1 11 . 1 1 319 319 LYS N N 319 119.827 119.827 123.242 -3.415 17812 3698 1 11 . 1 1 319 319 LYS HA H 319 3.886 3.886 4.004 -0.118 17812 3699 1 11 . 1 1 319 319 LYS C C 319 174.670 174.670 177.592 -2.922 17812 3700 1 11 . 1 1 319 319 LYS CA C 319 57.728 57.728 59.755 -2.027 17812 3701 1 11 . 1 1 319 319 LYS CB C 319 28.902 28.902 32.190 -3.288 17812 3702 1 11 . 1 1 319 319 LYS H H 319 7.895 7.895 8.149 -0.254 17812 3703 1 11 . 1 1 320 320 ASP N N 320 117.610 117.610 116.120 1.490 17812 3704 1 11 . 1 1 320 320 ASP HA H 320 4.206 4.206 4.481 -0.275 17812 3705 1 11 . 1 1 320 320 ASP C C 320 174.861 174.861 177.062 -2.201 17812 3706 1 11 . 1 1 320 320 ASP CA C 320 54.551 54.551 55.710 -1.159 17812 3707 1 11 . 1 1 320 320 ASP CB C 320 38.354 38.354 40.633 -2.279 17812 3708 1 11 . 1 1 320 320 ASP H H 320 8.873 8.873 8.333 0.540 17812 3709 1 11 . 1 1 321 321 ASP N N 321 118.813 118.813 120.025 -1.212 17812 3710 1 11 . 1 1 321 321 ASP HA H 321 4.595 4.595 4.838 -0.243 17812 3711 1 11 . 1 1 321 321 ASP C C 321 176.386 176.386 175.537 0.849 17812 3712 1 11 . 1 1 321 321 ASP CA C 321 53.781 53.781 52.970 0.811 17812 3713 1 11 . 1 1 321 321 ASP CB C 321 40.782 40.782 40.651 0.131 17812 3714 1 11 . 1 1 321 321 ASP H H 321 7.212 7.212 7.811 -0.599 17812 3715 1 11 . 1 1 322 322 VAL N N 322 122.228 122.228 121.817 0.411 17812 3716 1 11 . 1 1 322 322 VAL HA H 322 3.866 3.866 3.713 0.153 17812 3717 1 11 . 1 1 322 322 VAL CA C 322 63.885 63.885 64.089 -0.204 17812 3718 1 11 . 1 1 322 322 VAL CB C 322 31.385 31.385 32.348 -0.963 17812 3719 1 11 . 1 1 322 322 VAL H H 322 8.060 8.060 8.282 -0.222 17812 3720 1 11 . 1 1 323 323 ASN N N 323 117.787 117.787 115.224 2.563 17812 3721 1 11 . 1 1 323 323 ASN HA H 323 4.710 4.710 4.538 0.172 17812 3722 1 11 . 1 1 323 323 ASN CA C 323 54.065 54.065 54.434 -0.370 17812 3723 1 11 . 1 1 323 323 ASN CB C 323 38.876 38.876 38.216 0.660 17812 3724 1 11 . 1 1 323 323 ASN H H 323 8.486 8.486 8.311 0.175 17812 3725 1 11 . 1 1 324 324 ARG N N 324 120.106 120.106 120.230 -0.124 17812 3726 1 11 . 1 1 324 324 ARG HA H 324 4.632 4.632 4.290 0.342 17812 3727 1 11 . 1 1 324 324 ARG C C 324 175.881 175.881 175.353 0.528 17812 3728 1 11 . 1 1 324 324 ARG CA C 324 54.488 54.488 55.705 -1.217 17812 3729 1 11 . 1 1 324 324 ARG CB C 324 32.709 32.709 31.137 1.571 17812 3730 1 11 . 1 1 324 324 ARG H H 324 7.955 7.955 7.673 0.282 17812 3731 1 11 . 1 1 325 325 LEU N N 325 123.983 123.983 121.788 2.195 17812 3732 1 11 . 1 1 325 325 LEU HA H 325 4.422 4.422 4.369 0.053 17812 3733 1 11 . 1 1 325 325 LEU C C 325 177.647 177.647 176.531 1.116 17812 3734 1 11 . 1 1 325 325 LEU CA C 325 54.910 54.910 55.443 -0.533 17812 3735 1 11 . 1 1 325 325 LEU CB C 325 42.720 42.720 42.721 -0.001 17812 3736 1 11 . 1 1 325 325 LEU H H 325 8.423 8.423 8.090 0.333 17812 3737 1 11 . 1 1 326 326 CYS N N 326 123.693 123.693 126.651 -2.958 17812 3738 1 11 . 1 1 326 326 CYS HA H 326 4.474 4.474 4.747 -0.273 17812 3739 1 11 . 1 1 326 326 CYS C C 326 174.472 174.472 175.139 -0.667 17812 3740 1 11 . 1 1 326 326 CYS CA C 326 60.503 60.503 57.719 2.784 17812 3741 1 11 . 1 1 326 326 CYS CB C 326 32.551 32.551 28.023 4.528 17812 3742 1 11 . 1 1 326 326 CYS H H 326 9.277 9.277 8.868 0.409 17812 3743 1 11 . 1 1 327 327 ARG N N 327 126.881 126.881 126.156 0.725 17812 3744 1 11 . 1 1 327 327 ARG HA H 327 4.579 4.579 4.087 0.492 17812 3745 1 11 . 1 1 327 327 ARG C C 327 175.128 175.128 177.832 -2.704 17812 3746 1 11 . 1 1 327 327 ARG CA C 327 56.522 56.522 58.407 -1.885 17812 3747 1 11 . 1 1 327 327 ARG CB C 327 29.116 29.116 30.338 -1.222 17812 3748 1 11 . 1 1 327 327 ARG H H 327 8.880 8.880 8.734 0.146 17812 3749 1 11 . 1 1 328 328 VAL N N 328 123.112 123.112 117.432 5.680 17812 3750 1 11 . 1 1 328 328 VAL HA H 328 4.139 4.139 3.753 0.386 17812 3751 1 11 . 1 1 328 328 VAL C C 328 176.618 176.618 176.443 0.175 17812 3752 1 11 . 1 1 328 328 VAL CA C 328 65.790 65.790 64.900 0.891 17812 3753 1 11 . 1 1 328 328 VAL CB C 328 32.296 32.296 32.174 0.122 17812 3754 1 11 . 1 1 328 328 VAL H H 328 9.058 9.058 7.866 1.192 17812 3755 1 11 . 1 1 329 329 CYS N N 329 117.822 117.822 118.557 -0.735 17812 3756 1 11 . 1 1 329 329 CYS HA H 329 4.975 4.975 4.536 0.439 17812 3757 1 11 . 1 1 329 329 CYS C C 329 174.466 174.466 173.229 1.237 17812 3758 1 11 . 1 1 329 329 CYS CA C 329 58.446 58.446 57.442 1.004 17812 3759 1 11 . 1 1 329 329 CYS CB C 329 31.850 31.850 24.955 6.895 17812 3760 1 11 . 1 1 329 329 CYS H H 329 8.372 8.372 7.683 0.689 17812 3761 1 11 . 1 1 330 330 ALA N N 330 130.671 130.671 122.198 8.473 17812 3762 1 11 . 1 1 330 330 ALA HA H 330 4.575 4.575 4.491 0.084 17812 3763 1 11 . 1 1 330 330 ALA C C 330 175.000 175.000 175.001 -0.001 17812 3764 1 11 . 1 1 330 330 ALA CA C 330 50.393 50.393 50.645 -0.252 17812 3765 1 11 . 1 1 330 330 ALA CB C 330 19.244 19.244 21.217 -1.973 17812 3766 1 11 . 1 1 330 330 ALA H H 330 7.030 7.030 7.480 -0.450 17812 3767 1 11 . 1 1 331 331 CYS N N 331 118.585 118.585 120.739 -2.154 17812 3768 1 11 . 1 1 331 331 CYS HA H 331 3.587 3.587 4.706 -1.119 17812 3769 1 11 . 1 1 331 331 CYS C C 331 177.953 177.953 175.675 2.278 17812 3770 1 11 . 1 1 331 331 CYS CA C 331 60.241 60.241 59.056 1.185 17812 3771 1 11 . 1 1 331 331 CYS CB C 331 30.524 30.524 27.064 3.459 17812 3772 1 11 . 1 1 331 331 CYS H H 331 7.081 7.081 8.623 -1.542 17812 3773 1 11 . 1 1 332 332 HIS N N 332 127.546 127.546 127.664 -0.118 17812 3774 1 11 . 1 1 332 332 HIS HA H 332 4.752 4.752 4.217 0.535 17812 3775 1 11 . 1 1 332 332 HIS C C 332 174.236 174.236 176.298 -2.062 17812 3776 1 11 . 1 1 332 332 HIS CA C 332 56.287 56.287 58.684 -2.397 17812 3777 1 11 . 1 1 332 332 HIS CB C 332 28.769 28.769 30.028 -1.259 17812 3778 1 11 . 1 1 332 332 HIS H H 332 9.757 9.757 8.804 0.953 17812 3779 1 11 . 1 1 333 333 LEU N N 333 118.061 118.061 116.799 1.262 17812 3780 1 11 . 1 1 333 333 LEU HA H 333 4.580 4.580 3.785 0.795 17812 3781 1 11 . 1 1 333 333 LEU C C 333 177.564 177.564 176.835 0.729 17812 3782 1 11 . 1 1 333 333 LEU CA C 333 56.046 56.046 56.047 -0.001 17812 3783 1 11 . 1 1 333 333 LEU CB C 333 42.986 42.986 42.327 0.659 17812 3784 1 11 . 1 1 333 333 LEU H H 333 8.773 8.773 7.797 0.976 17812 3785 1 11 . 1 1 334 334 CYS N N 334 118.393 118.393 115.141 3.252 17812 3786 1 11 . 1 1 334 334 CYS HA H 334 5.084 5.084 4.711 0.373 17812 3787 1 11 . 1 1 334 334 CYS C C 334 176.736 176.736 175.783 0.953 17812 3788 1 11 . 1 1 334 334 CYS CA C 334 58.973 58.973 56.842 2.131 17812 3789 1 11 . 1 1 334 334 CYS CB C 334 32.481 32.481 28.980 3.501 17812 3790 1 11 . 1 1 334 334 CYS H H 334 8.310 8.310 7.718 0.592 17812 3791 1 11 . 1 1 335 335 GLY N N 335 115.992 115.992 110.343 5.649 17812 3792 1 11 . 1 1 335 335 GLY C C 335 172.059 172.059 175.196 -3.137 17812 3793 1 11 . 1 1 335 335 GLY CA C 335 45.652 45.652 46.600 -0.948 17812 3794 1 11 . 1 1 335 335 GLY H H 335 8.596 8.596 8.812 -0.216 17812 3795 1 11 . 1 1 336 336 GLY N N 336 111.360 111.360 107.494 3.866 17812 3796 1 11 . 1 1 336 336 GLY C C 336 174.101 174.101 173.294 0.807 17812 3797 1 11 . 1 1 336 336 GLY CA C 336 44.987 44.987 44.687 0.300 17812 3798 1 11 . 1 1 336 336 GLY H H 336 9.594 9.594 7.728 1.866 17812 3799 1 11 . 1 1 337 337 ARG N N 337 118.859 118.859 121.965 -3.106 17812 3800 1 11 . 1 1 337 337 ARG HA H 337 4.413 4.413 4.738 -0.325 17812 3801 1 11 . 1 1 337 337 ARG C C 337 177.635 177.635 174.584 3.051 17812 3802 1 11 . 1 1 337 337 ARG CA C 337 55.364 55.364 55.907 -0.543 17812 3803 1 11 . 1 1 337 337 ARG CB C 337 31.337 31.337 31.326 0.011 17812 3804 1 11 . 1 1 337 337 ARG H H 337 8.827 8.827 8.382 0.445 17812 3805 1 11 . 1 1 338 338 GLN N N 338 120.950 120.950 124.224 -3.274 17812 3806 1 11 . 1 1 338 338 GLN HA H 338 4.376 4.376 4.481 -0.105 17812 3807 1 11 . 1 1 338 338 GLN C C 338 176.420 176.420 174.989 1.431 17812 3808 1 11 . 1 1 338 338 GLN CA C 338 55.694 55.694 55.239 0.455 17812 3809 1 11 . 1 1 338 338 GLN CB C 338 28.096 28.096 30.506 -2.410 17812 3810 1 11 . 1 1 338 338 GLN H H 338 9.568 9.568 8.705 0.863 17812 3811 1 11 . 1 1 339 339 ASP N N 339 117.880 117.880 122.299 -4.419 17812 3812 1 11 . 1 1 339 339 ASP HA H 339 4.625 4.625 4.412 0.213 17812 3813 1 11 . 1 1 339 339 ASP CA C 339 55.283 55.283 54.337 0.946 17812 3814 1 11 . 1 1 339 339 ASP CB C 339 41.092 41.092 39.626 1.466 17812 3815 1 11 . 1 1 339 339 ASP H H 339 9.681 9.681 8.810 0.871 17812 3816 1 11 . 1 1 340 340 PRO HA H 340 4.140 4.140 4.172 -0.032 17812 3817 1 11 . 1 1 340 340 PRO C C 340 177.463 177.463 177.931 -0.468 17812 3818 1 11 . 1 1 340 340 PRO CA C 340 65.883 65.883 64.990 0.893 17812 3819 1 11 . 1 1 340 340 PRO CB C 340 30.045 30.045 31.709 -1.664 17812 3820 1 11 . 1 1 341 341 ASP N N 341 115.117 115.117 115.582 -0.465 17812 3821 1 11 . 1 1 341 341 ASP HA H 341 4.642 4.642 4.412 0.230 17812 3822 1 11 . 1 1 341 341 ASP C C 341 175.663 175.663 176.942 -1.279 17812 3823 1 11 . 1 1 341 341 ASP CA C 341 54.735 54.735 55.544 -0.809 17812 3824 1 11 . 1 1 341 341 ASP CB C 341 39.135 39.135 39.706 -0.571 17812 3825 1 11 . 1 1 341 341 ASP H H 341 9.176 9.176 8.649 0.527 17812 3826 1 11 . 1 1 342 342 LYS N N 342 117.582 117.582 116.977 0.605 17812 3827 1 11 . 1 1 342 342 LYS HA H 342 4.351 4.351 4.314 0.037 17812 3828 1 11 . 1 1 342 342 LYS CA C 342 54.496 54.496 55.893 -1.397 17812 3829 1 11 . 1 1 342 342 LYS CB C 342 33.968 33.968 32.815 1.153 17812 3830 1 11 . 1 1 342 342 LYS H H 342 8.056 8.056 7.485 0.571 17812 3831 1 11 . 1 1 343 343 GLN N N 343 119.535 119.535 118.983 0.552 17812 3832 1 11 . 1 1 343 343 GLN HA H 343 4.510 4.510 3.872 0.638 17812 3833 1 11 . 1 1 343 343 GLN C C 343 175.176 175.176 175.103 0.073 17812 3834 1 11 . 1 1 343 343 GLN CA C 343 54.652 54.652 55.003 -0.351 17812 3835 1 11 . 1 1 343 343 GLN CB C 343 29.270 29.270 28.996 0.274 17812 3836 1 11 . 1 1 343 343 GLN H H 343 7.174 7.174 7.073 0.101 17812 3837 1 11 . 1 1 344 344 LEU N N 344 124.836 124.836 125.417 -0.581 17812 3838 1 11 . 1 1 344 344 LEU HA H 344 4.307 4.307 4.507 -0.200 17812 3839 1 11 . 1 1 344 344 LEU CA C 344 53.564 53.564 53.928 -0.364 17812 3840 1 11 . 1 1 344 344 LEU CB C 344 44.381 44.381 43.057 1.324 17812 3841 1 11 . 1 1 344 344 LEU H H 344 8.215 8.215 8.553 -0.338 17812 3842 1 11 . 1 1 345 345 MET N N 345 119.349 119.349 120.702 -1.353 17812 3843 1 11 . 1 1 345 345 MET HA H 345 5.433 5.433 5.161 0.272 17812 3844 1 11 . 1 1 345 345 MET C C 345 175.462 175.462 175.876 -0.414 17812 3845 1 11 . 1 1 345 345 MET CA C 345 52.877 52.877 52.740 0.137 17812 3846 1 11 . 1 1 345 345 MET CB C 345 32.312 32.312 33.725 -1.413 17812 3847 1 11 . 1 1 345 345 MET H H 345 8.086 8.086 8.313 -0.227 17812 3848 1 11 . 1 1 346 346 CYS N N 346 124.792 124.792 124.742 0.050 17812 3849 1 11 . 1 1 346 346 CYS HA H 346 4.751 4.751 4.463 0.288 17812 3850 1 11 . 1 1 346 346 CYS C C 346 177.998 177.998 176.278 1.720 17812 3851 1 11 . 1 1 346 346 CYS CA C 346 60.088 60.088 59.126 0.962 17812 3852 1 11 . 1 1 346 346 CYS CB C 346 32.345 32.345 28.482 3.863 17812 3853 1 11 . 1 1 346 346 CYS H H 346 9.088 9.088 9.140 -0.052 17812 3854 1 11 . 1 1 347 347 ASP N N 347 129.440 129.440 128.081 1.359 17812 3855 1 11 . 1 1 347 347 ASP HA H 347 4.624 4.624 4.416 0.208 17812 3856 1 11 . 1 1 347 347 ASP C C 347 174.755 174.755 177.570 -2.815 17812 3857 1 11 . 1 1 347 347 ASP CA C 347 57.932 57.932 56.817 1.115 17812 3858 1 11 . 1 1 347 347 ASP CB C 347 41.115 41.115 40.998 0.117 17812 3859 1 11 . 1 1 347 347 ASP H H 347 9.154 9.154 8.398 0.756 17812 3860 1 11 . 1 1 348 348 GLU N N 348 124.253 124.253 117.854 6.399 17812 3861 1 11 . 1 1 348 348 GLU HA H 348 4.895 4.895 4.265 0.630 17812 3862 1 11 . 1 1 348 348 GLU C C 348 176.439 176.439 177.347 -0.908 17812 3863 1 11 . 1 1 348 348 GLU CA C 348 58.673 58.673 58.312 0.361 17812 3864 1 11 . 1 1 348 348 GLU CB C 348 30.510 30.510 30.410 0.100 17812 3865 1 11 . 1 1 348 348 GLU H H 348 9.615 9.615 8.891 0.724 17812 3866 1 11 . 1 1 349 349 CYS N N 349 119.153 119.153 116.439 2.714 17812 3867 1 11 . 1 1 349 349 CYS HA H 349 4.778 4.778 4.765 0.013 17812 3868 1 11 . 1 1 349 349 CYS CA C 349 60.216 60.216 58.670 1.546 17812 3869 1 11 . 1 1 349 349 CYS CB C 349 32.008 32.008 28.495 3.513 17812 3870 1 11 . 1 1 349 349 CYS H H 349 8.522 8.522 7.703 0.819 17812 3871 1 11 . 1 1 350 350 ASP N N 350 115.218 115.218 118.449 -3.231 17812 3872 1 11 . 1 1 350 350 ASP HA H 350 4.492 4.492 4.392 0.100 17812 3873 1 11 . 1 1 350 350 ASP CA C 350 55.086 55.086 55.667 -0.581 17812 3874 1 11 . 1 1 350 350 ASP CB C 350 41.386 41.386 38.472 2.914 17812 3875 1 11 . 1 1 350 350 ASP H H 350 7.813 7.813 8.849 -1.036 17812 3876 1 11 . 1 1 351 351 MET N N 351 117.029 117.029 116.842 0.187 17812 3877 1 11 . 1 1 351 351 MET HA H 351 4.520 4.520 4.772 -0.252 17812 3878 1 11 . 1 1 351 351 MET C C 351 173.497 173.497 174.865 -1.368 17812 3879 1 11 . 1 1 351 351 MET CA C 351 54.706 54.706 54.594 0.112 17812 3880 1 11 . 1 1 351 351 MET CB C 351 34.605 34.605 37.282 -2.677 17812 3881 1 11 . 1 1 351 351 MET H H 351 8.162 8.162 7.510 0.652 17812 3882 1 11 . 1 1 352 352 ALA N N 352 123.068 123.068 123.419 -0.351 17812 3883 1 11 . 1 1 352 352 ALA HA H 352 5.528 5.528 5.594 -0.066 17812 3884 1 11 . 1 1 352 352 ALA C C 352 177.545 177.545 176.548 0.997 17812 3885 1 11 . 1 1 352 352 ALA CA C 352 49.943 49.943 51.047 -1.104 17812 3886 1 11 . 1 1 352 352 ALA CB C 352 22.111 22.111 20.714 1.397 17812 3887 1 11 . 1 1 352 352 ALA H H 352 8.499 8.499 8.890 -0.391 17812 3888 1 11 . 1 1 353 353 PHE N N 353 116.057 116.057 119.647 -3.590 17812 3889 1 11 . 1 1 353 353 PHE HA H 353 5.106 5.106 4.955 0.151 17812 3890 1 11 . 1 1 353 353 PHE C C 353 176.868 176.868 176.594 0.274 17812 3891 1 11 . 1 1 353 353 PHE CA C 353 56.416 56.416 57.329 -0.913 17812 3892 1 11 . 1 1 353 353 PHE CB C 353 43.111 43.111 43.784 -0.673 17812 3893 1 11 . 1 1 353 353 PHE H H 353 9.164 9.164 8.263 0.901 17812 3894 1 11 . 1 1 354 354 HIS N N 354 124.053 124.053 121.696 2.357 17812 3895 1 11 . 1 1 354 354 HIS HA H 354 4.650 4.650 4.250 0.400 17812 3896 1 11 . 1 1 354 354 HIS C C 354 180.505 180.505 176.941 3.564 17812 3897 1 11 . 1 1 354 354 HIS CA C 354 58.931 58.931 57.411 1.520 17812 3898 1 11 . 1 1 354 354 HIS CB C 354 31.235 31.235 29.598 1.637 17812 3899 1 11 . 1 1 354 354 HIS H H 354 9.388 9.388 8.994 0.394 17812 3900 1 11 . 1 1 355 355 ILE N N 355 115.081 115.081 117.175 -2.094 17812 3901 1 11 . 1 1 355 355 ILE HA H 355 3.928 3.928 3.670 0.258 17812 3902 1 11 . 1 1 355 355 ILE C C 355 175.451 175.451 175.946 -0.495 17812 3903 1 11 . 1 1 355 355 ILE CA C 355 65.726 65.726 63.925 1.801 17812 3904 1 11 . 1 1 355 355 ILE CB C 355 36.292 36.292 36.752 -0.459 17812 3905 1 11 . 1 1 355 355 ILE H H 355 8.568 8.568 8.132 0.436 17812 3906 1 11 . 1 1 356 356 TYR N N 356 110.787 110.787 113.104 -2.317 17812 3907 1 11 . 1 1 356 356 TYR HA H 356 4.801 4.801 4.677 0.124 17812 3908 1 11 . 1 1 356 356 TYR C C 356 177.073 177.073 175.485 1.588 17812 3909 1 11 . 1 1 356 356 TYR CA C 356 55.362 55.362 57.354 -1.992 17812 3910 1 11 . 1 1 356 356 TYR CB C 356 36.767 36.767 38.904 -2.137 17812 3911 1 11 . 1 1 356 356 TYR H H 356 6.117 6.117 7.474 -1.357 17812 3912 1 11 . 1 1 357 357 CYS N N 357 121.584 121.584 117.230 4.354 17812 3913 1 11 . 1 1 357 357 CYS HA H 357 4.537 4.537 3.550 0.987 17812 3914 1 11 . 1 1 357 357 CYS C C 357 174.868 174.868 175.376 -0.508 17812 3915 1 11 . 1 1 357 357 CYS CA C 357 62.349 62.349 59.576 2.773 17812 3916 1 11 . 1 1 357 357 CYS CB C 357 31.087 31.087 25.764 5.323 17812 3917 1 11 . 1 1 357 357 CYS H H 357 7.603 7.603 7.248 0.355 17812 3918 1 11 . 1 1 358 358 LEU N N 358 119.134 119.134 120.617 -1.483 17812 3919 1 11 . 1 1 358 358 LEU HA H 358 4.040 4.040 4.222 -0.182 17812 3920 1 11 . 1 1 358 358 LEU CA C 358 55.465 55.465 55.044 0.422 17812 3921 1 11 . 1 1 358 358 LEU CB C 358 44.020 44.020 42.128 1.892 17812 3922 1 11 . 1 1 358 358 LEU H H 358 6.387 6.387 7.264 -0.877 17812 3923 1 11 . 1 1 359 359 ASP N N 359 117.020 117.020 121.739 -4.719 17812 3924 1 11 . 1 1 359 359 ASP HA H 359 4.985 4.985 4.474 0.511 17812 3925 1 11 . 1 1 359 359 ASP CA C 359 50.354 50.354 56.418 -6.064 17812 3926 1 11 . 1 1 359 359 ASP CB C 359 43.465 43.465 40.004 3.461 17812 3927 1 11 . 1 1 359 359 ASP H H 359 8.167 8.167 8.466 -0.299 17812 3928 1 11 . 1 1 360 360 PRO HA H 360 5.202 5.202 4.522 0.680 17812 3929 1 11 . 1 1 360 360 PRO CA C 360 62.131 62.131 62.129 0.002 17812 3930 1 11 . 1 1 360 360 PRO CB C 360 33.173 33.173 31.062 2.111 17812 3931 1 11 . 1 1 361 361 PRO HA H 361 4.462 4.462 4.544 -0.082 17812 3932 1 11 . 1 1 361 361 PRO C C 361 177.733 177.733 177.135 0.598 17812 3933 1 11 . 1 1 361 361 PRO CA C 361 63.068 63.068 61.950 1.117 17812 3934 1 11 . 1 1 361 361 PRO CB C 361 32.301 32.301 32.746 -0.445 17812 3935 1 11 . 1 1 362 362 LEU N N 362 121.043 121.043 120.838 0.205 17812 3936 1 11 . 1 1 362 362 LEU HA H 362 4.761 4.761 4.416 0.345 17812 3937 1 11 . 1 1 362 362 LEU C C 362 177.392 177.392 178.068 -0.676 17812 3938 1 11 . 1 1 362 362 LEU CA C 362 53.621 53.621 55.045 -1.424 17812 3939 1 11 . 1 1 362 362 LEU CB C 362 43.759 43.759 42.042 1.716 17812 3940 1 11 . 1 1 362 362 LEU H H 362 7.798 7.798 8.298 -0.500 17812 3941 1 11 . 1 1 363 363 SER N N 363 115.324 115.324 116.922 -1.598 17812 3942 1 11 . 1 1 363 363 SER HA H 363 4.377 4.377 4.361 0.016 17812 3943 1 11 . 1 1 363 363 SER C C 363 174.070 174.070 174.261 -0.191 17812 3944 1 11 . 1 1 363 363 SER CA C 363 59.341 59.341 60.020 -0.679 17812 3945 1 11 . 1 1 363 363 SER CB C 363 63.871 63.871 63.542 0.329 17812 3946 1 11 . 1 1 363 363 SER H H 363 8.899 8.899 8.590 0.309 17812 3947 1 11 . 1 1 364 364 SER N N 364 112.898 112.898 115.187 -2.289 17812 3948 1 11 . 1 1 364 364 SER HA H 364 4.451 4.451 4.662 -0.211 17812 3949 1 11 . 1 1 364 364 SER C C 364 173.066 173.066 172.507 0.559 17812 3950 1 11 . 1 1 364 364 SER CA C 364 56.852 56.852 57.655 -0.803 17812 3951 1 11 . 1 1 364 364 SER CB C 364 65.197 65.197 65.505 -0.308 17812 3952 1 11 . 1 1 364 364 SER H H 364 7.460 7.460 7.595 -0.135 17812 3953 1 11 . 1 1 365 365 VAL N N 365 123.433 123.433 122.950 0.483 17812 3954 1 11 . 1 1 365 365 VAL HA H 365 3.820 3.820 4.363 -0.543 17812 3955 1 11 . 1 1 365 365 VAL CA C 365 61.613 61.613 59.963 1.650 17812 3956 1 11 . 1 1 365 365 VAL CB C 365 32.428 32.428 32.531 -0.103 17812 3957 1 11 . 1 1 365 365 VAL H H 365 8.695 8.695 8.256 0.439 17812 3958 1 11 . 1 1 366 366 PRO HA H 366 4.457 4.457 4.684 -0.227 17812 3959 1 11 . 1 1 366 366 PRO C C 366 175.679 175.679 176.199 -0.520 17812 3960 1 11 . 1 1 366 366 PRO CA C 366 63.224 63.224 62.906 0.318 17812 3961 1 11 . 1 1 366 366 PRO CB C 366 32.526 32.526 32.565 -0.039 17812 3962 1 11 . 1 1 367 367 SER N N 367 116.079 116.079 118.700 -2.621 17812 3963 1 11 . 1 1 367 367 SER HA H 367 4.456 4.456 4.388 0.068 17812 3964 1 11 . 1 1 367 367 SER C C 367 174.796 174.796 175.850 -1.054 17812 3965 1 11 . 1 1 367 367 SER CA C 367 58.855 58.855 58.634 0.221 17812 3966 1 11 . 1 1 367 367 SER CB C 367 64.091 64.091 64.028 0.062 17812 3967 1 11 . 1 1 367 367 SER H H 367 8.648 8.648 8.489 0.159 17812 3968 1 11 . 1 1 368 368 GLU N N 368 122.642 122.642 122.079 0.563 17812 3969 1 11 . 1 1 368 368 GLU HA H 368 4.275 4.275 4.196 0.079 17812 3970 1 11 . 1 1 368 368 GLU CA C 368 57.631 57.631 57.632 -0.001 17812 3971 1 11 . 1 1 368 368 GLU CB C 368 30.124 30.124 30.123 0.001 17812 3972 1 11 . 1 1 368 368 GLU H H 368 8.629 8.629 8.676 -0.047 17812 3973 1 11 . 1 1 369 369 ASP N N 369 120.686 120.686 120.461 0.225 17812 3974 1 11 . 1 1 369 369 ASP HA H 369 4.332 4.332 4.813 -0.481 17812 3975 1 11 . 1 1 369 369 ASP CA C 369 57.181 57.181 53.566 3.615 17812 3976 1 11 . 1 1 369 369 ASP CB C 369 41.404 41.404 41.272 0.132 17812 3977 1 11 . 1 1 369 369 ASP H H 369 8.614 8.614 8.072 0.542 17812 3978 1 11 . 1 1 370 370 GLU N N 370 115.631 115.631 122.058 -6.427 17812 3979 1 11 . 1 1 370 370 GLU HA H 370 4.861 4.861 4.279 0.582 17812 3980 1 11 . 1 1 370 370 GLU C C 370 175.047 175.047 175.967 -0.920 17812 3981 1 11 . 1 1 370 370 GLU CA C 370 54.687 54.687 56.532 -1.845 17812 3982 1 11 . 1 1 370 370 GLU CB C 370 32.837 32.837 30.229 2.608 17812 3983 1 11 . 1 1 370 370 GLU H H 370 7.823 7.823 8.642 -0.819 17812 3984 1 11 . 1 1 371 371 TRP N N 371 124.056 124.056 125.684 -1.628 17812 3985 1 11 . 1 1 371 371 TRP HA H 371 4.311 4.311 4.760 -0.449 17812 3986 1 11 . 1 1 371 371 TRP C C 371 171.586 171.586 173.965 -2.379 17812 3987 1 11 . 1 1 371 371 TRP CA C 371 59.845 59.845 56.500 3.345 17812 3988 1 11 . 1 1 371 371 TRP CB C 371 31.317 31.317 30.225 1.092 17812 3989 1 11 . 1 1 371 371 TRP H H 371 9.205 9.205 8.426 0.779 17812 3990 1 11 . 1 1 372 372 TYR N N 372 122.933 122.933 125.913 -2.980 17812 3991 1 11 . 1 1 372 372 TYR HA H 372 5.217 5.217 4.068 1.149 17812 3992 1 11 . 1 1 372 372 TYR C C 372 173.821 173.821 174.899 -1.078 17812 3993 1 11 . 1 1 372 372 TYR CA C 372 54.963 54.963 55.723 -0.760 17812 3994 1 11 . 1 1 372 372 TYR CB C 372 41.593 41.593 40.066 1.527 17812 3995 1 11 . 1 1 372 372 TYR H H 372 6.907 6.907 7.947 -1.040 17812 3996 1 11 . 1 1 373 373 CYS N N 373 127.647 127.647 121.436 6.211 17812 3997 1 11 . 1 1 373 373 CYS HA H 373 3.530 3.530 3.666 -0.136 17812 3998 1 11 . 1 1 373 373 CYS CA C 373 57.539 57.539 54.411 3.128 17812 3999 1 11 . 1 1 373 373 CYS CB C 373 30.549 30.549 27.178 3.371 17812 4000 1 11 . 1 1 373 373 CYS H H 373 9.310 9.310 7.983 1.327 17812 4001 1 11 . 1 1 374 374 PRO HA H 374 3.987 3.987 4.045 -0.058 17812 4002 1 11 . 1 1 374 374 PRO C C 374 178.008 178.008 178.245 -0.237 17812 4003 1 11 . 1 1 374 374 PRO CA C 374 65.504 65.504 64.958 0.546 17812 4004 1 11 . 1 1 374 374 PRO CB C 374 32.293 32.293 31.697 0.596 17812 4005 1 11 . 1 1 375 375 GLU N N 375 116.759 116.759 118.446 -1.687 17812 4006 1 11 . 1 1 375 375 GLU HA H 375 4.237 4.237 4.120 0.117 17812 4007 1 11 . 1 1 375 375 GLU C C 375 177.054 177.054 178.601 -1.547 17812 4008 1 11 . 1 1 375 375 GLU CA C 375 58.479 58.479 59.062 -0.583 17812 4009 1 11 . 1 1 375 375 GLU CB C 375 30.939 30.939 29.314 1.625 17812 4010 1 11 . 1 1 375 375 GLU H H 375 8.111 8.111 8.169 -0.058 17812 4011 1 11 . 1 1 376 376 CYS N N 376 122.642 122.642 114.076 8.566 17812 4012 1 11 . 1 1 376 376 CYS HA H 376 4.055 4.055 4.551 -0.496 17812 4013 1 11 . 1 1 376 376 CYS CA C 376 62.498 62.498 59.522 2.976 17812 4014 1 11 . 1 1 376 376 CYS CB C 376 31.379 31.379 26.548 4.831 17812 4015 1 11 . 1 1 376 376 CYS H H 376 8.075 8.075 7.616 0.459 17812 4016 1 11 . 1 1 377 377 ARG N N 377 117.680 117.680 121.138 -3.458 17812 4017 1 11 . 1 1 377 377 ARG HA H 377 3.948 3.948 4.048 -0.100 17812 4018 1 11 . 1 1 377 377 ARG C C 377 56.425 56.425 177.996 -121.571 17812 4019 1 11 . 1 1 377 377 ARG CB C 377 30.678 30.678 29.237 1.441 17812 4020 1 11 . 1 1 377 377 ARG H H 377 7.856 7.856 7.473 0.383 17812 4021 1 11 . 1 1 378 378 ASN N N 378 119.726 119.726 116.995 2.731 17812 4022 1 11 . 1 1 378 378 ASN HA H 378 4.695 4.695 4.516 0.179 17812 4023 1 11 . 1 1 378 378 ASN C C 378 173.554 173.554 175.756 -2.202 17812 4024 1 11 . 1 1 378 378 ASN CA C 378 53.204 53.204 54.532 -1.328 17812 4025 1 11 . 1 1 378 378 ASN CB C 378 39.516 39.516 38.065 1.451 17812 4026 1 11 . 1 1 378 378 ASN H H 378 8.189 8.189 7.806 0.383 17812 4027 1 12 . 1 1 312 312 GLY N N 312 110.352 110.352 112.149 -1.797 17812 4028 1 12 . 1 1 312 312 GLY CA C 312 44.546 44.546 44.328 0.218 17812 4029 1 12 . 1 1 312 312 GLY H H 312 7.809 7.809 8.310 -0.501 17812 4030 1 12 . 1 1 313 313 PRO HA H 313 4.433 4.433 4.609 -0.176 17812 4031 1 12 . 1 1 313 313 PRO CA C 313 62.527 62.527 62.189 0.338 17812 4032 1 12 . 1 1 313 313 PRO CB C 313 31.680 31.680 32.910 -1.230 17812 4033 1 12 . 1 1 314 314 SER N N 314 120.711 120.711 115.663 5.048 17812 4034 1 12 . 1 1 314 314 SER HA H 314 4.331 4.331 4.280 0.050 17812 4035 1 12 . 1 1 314 314 SER C C 314 174.789 174.789 174.753 0.036 17812 4036 1 12 . 1 1 314 314 SER CA C 314 60.627 60.627 59.924 0.703 17812 4037 1 12 . 1 1 314 314 SER CB C 314 63.925 63.925 63.669 0.256 17812 4038 1 12 . 1 1 314 314 SER H H 314 10.435 10.435 8.544 1.891 17812 4039 1 12 . 1 1 315 315 CYS N N 315 125.240 125.240 118.321 6.919 17812 4040 1 12 . 1 1 315 315 CYS HA H 315 4.698 4.698 4.722 -0.024 17812 4041 1 12 . 1 1 315 315 CYS C C 315 176.852 176.852 174.489 2.363 17812 4042 1 12 . 1 1 315 315 CYS CA C 315 58.281 58.281 57.117 1.164 17812 4043 1 12 . 1 1 315 315 CYS CB C 315 32.487 32.487 30.473 2.014 17812 4044 1 12 . 1 1 315 315 CYS H H 315 9.159 9.159 8.075 1.084 17812 4045 1 12 . 1 1 316 316 LYS N N 316 127.250 127.250 121.919 5.331 17812 4046 1 12 . 1 1 316 316 LYS HA H 316 4.005 4.005 4.154 -0.149 17812 4047 1 12 . 1 1 316 316 LYS C C 316 176.341 176.341 177.352 -1.011 17812 4048 1 12 . 1 1 316 316 LYS CA C 316 58.026 58.026 58.178 -0.152 17812 4049 1 12 . 1 1 316 316 LYS CB C 316 32.116 32.116 32.421 -0.305 17812 4050 1 12 . 1 1 316 316 LYS H H 316 8.951 8.951 8.470 0.481 17812 4051 1 12 . 1 1 317 317 HIS N N 317 121.622 121.622 116.852 4.770 17812 4052 1 12 . 1 1 317 317 HIS HA H 317 4.367 4.367 4.570 -0.203 17812 4053 1 12 . 1 1 317 317 HIS C C 317 176.348 176.348 177.028 -0.680 17812 4054 1 12 . 1 1 317 317 HIS CA C 317 59.351 59.351 58.846 0.505 17812 4055 1 12 . 1 1 317 317 HIS CB C 317 31.034 31.034 29.126 1.908 17812 4056 1 12 . 1 1 317 317 HIS H H 317 8.882 8.882 7.875 1.007 17812 4057 1 12 . 1 1 318 318 CYS N N 318 115.222 115.222 115.961 -0.739 17812 4058 1 12 . 1 1 318 318 CYS HA H 318 4.839 4.839 4.459 0.380 17812 4059 1 12 . 1 1 318 318 CYS C C 318 176.909 176.909 176.138 0.771 17812 4060 1 12 . 1 1 318 318 CYS CA C 318 58.040 58.040 60.065 -2.025 17812 4061 1 12 . 1 1 318 318 CYS CB C 318 31.925 31.925 26.387 5.538 17812 4062 1 12 . 1 1 318 318 CYS H H 318 8.081 8.081 7.887 0.194 17812 4063 1 12 . 1 1 319 319 LYS N N 319 119.827 119.827 121.089 -1.262 17812 4064 1 12 . 1 1 319 319 LYS HA H 319 3.886 3.886 3.958 -0.072 17812 4065 1 12 . 1 1 319 319 LYS C C 319 174.670 174.670 178.781 -4.111 17812 4066 1 12 . 1 1 319 319 LYS CA C 319 57.728 57.728 59.468 -1.740 17812 4067 1 12 . 1 1 319 319 LYS CB C 319 28.902 28.902 32.144 -3.242 17812 4068 1 12 . 1 1 319 319 LYS H H 319 7.895 7.895 7.940 -0.045 17812 4069 1 12 . 1 1 320 320 ASP N N 320 117.610 117.610 117.693 -0.083 17812 4070 1 12 . 1 1 320 320 ASP HA H 320 4.206 4.206 4.467 -0.261 17812 4071 1 12 . 1 1 320 320 ASP C C 320 174.861 174.861 177.284 -2.423 17812 4072 1 12 . 1 1 320 320 ASP CA C 320 54.551 54.551 56.362 -1.811 17812 4073 1 12 . 1 1 320 320 ASP CB C 320 38.354 38.354 41.032 -2.678 17812 4074 1 12 . 1 1 320 320 ASP H H 320 8.873 8.873 7.784 1.089 17812 4075 1 12 . 1 1 321 321 ASP N N 321 118.813 118.813 118.727 0.086 17812 4076 1 12 . 1 1 321 321 ASP HA H 321 4.595 4.595 4.921 -0.326 17812 4077 1 12 . 1 1 321 321 ASP C C 321 176.386 176.386 176.209 0.177 17812 4078 1 12 . 1 1 321 321 ASP CA C 321 53.781 53.781 52.858 0.923 17812 4079 1 12 . 1 1 321 321 ASP CB C 321 40.782 40.782 40.343 0.439 17812 4080 1 12 . 1 1 321 321 ASP H H 321 7.212 7.212 7.671 -0.459 17812 4081 1 12 . 1 1 322 322 VAL N N 322 122.228 122.228 120.640 1.588 17812 4082 1 12 . 1 1 322 322 VAL HA H 322 3.866 3.866 3.679 0.187 17812 4083 1 12 . 1 1 322 322 VAL CA C 322 63.885 63.885 65.724 -1.839 17812 4084 1 12 . 1 1 322 322 VAL CB C 322 31.385 31.385 32.036 -0.651 17812 4085 1 12 . 1 1 322 322 VAL H H 322 8.060 8.060 7.772 0.288 17812 4086 1 12 . 1 1 323 323 ASN N N 323 117.787 117.787 115.843 1.944 17812 4087 1 12 . 1 1 323 323 ASN HA H 323 4.710 4.710 4.502 0.208 17812 4088 1 12 . 1 1 323 323 ASN CA C 323 54.065 54.065 54.334 -0.269 17812 4089 1 12 . 1 1 323 323 ASN CB C 323 38.876 38.876 38.437 0.439 17812 4090 1 12 . 1 1 323 323 ASN H H 323 8.486 8.486 8.343 0.143 17812 4091 1 12 . 1 1 324 324 ARG N N 324 120.106 120.106 121.259 -1.153 17812 4092 1 12 . 1 1 324 324 ARG HA H 324 4.632 4.632 4.333 0.299 17812 4093 1 12 . 1 1 324 324 ARG C C 324 175.881 175.881 175.386 0.495 17812 4094 1 12 . 1 1 324 324 ARG CA C 324 54.488 54.488 55.891 -1.403 17812 4095 1 12 . 1 1 324 324 ARG CB C 324 32.709 32.709 31.293 1.416 17812 4096 1 12 . 1 1 324 324 ARG H H 324 7.955 7.955 7.598 0.357 17812 4097 1 12 . 1 1 325 325 LEU N N 325 123.983 123.983 123.799 0.184 17812 4098 1 12 . 1 1 325 325 LEU HA H 325 4.422 4.422 4.386 0.036 17812 4099 1 12 . 1 1 325 325 LEU C C 325 177.647 177.647 176.537 1.110 17812 4100 1 12 . 1 1 325 325 LEU CA C 325 54.910 54.910 55.379 -0.469 17812 4101 1 12 . 1 1 325 325 LEU CB C 325 42.720 42.720 43.193 -0.473 17812 4102 1 12 . 1 1 325 325 LEU H H 325 8.423 8.423 8.187 0.236 17812 4103 1 12 . 1 1 326 326 CYS N N 326 123.693 123.693 126.828 -3.135 17812 4104 1 12 . 1 1 326 326 CYS HA H 326 4.474 4.474 4.752 -0.278 17812 4105 1 12 . 1 1 326 326 CYS C C 326 174.472 174.472 175.645 -1.173 17812 4106 1 12 . 1 1 326 326 CYS CA C 326 60.503 60.503 57.698 2.805 17812 4107 1 12 . 1 1 326 326 CYS CB C 326 32.551 32.551 27.581 4.971 17812 4108 1 12 . 1 1 326 326 CYS H H 326 9.277 9.277 8.757 0.520 17812 4109 1 12 . 1 1 327 327 ARG N N 327 126.881 126.881 126.651 0.230 17812 4110 1 12 . 1 1 327 327 ARG HA H 327 4.579 4.579 4.180 0.399 17812 4111 1 12 . 1 1 327 327 ARG C C 327 175.128 175.128 177.944 -2.816 17812 4112 1 12 . 1 1 327 327 ARG CA C 327 56.522 56.522 58.414 -1.892 17812 4113 1 12 . 1 1 327 327 ARG CB C 327 29.116 29.116 30.373 -1.257 17812 4114 1 12 . 1 1 327 327 ARG H H 327 8.880 8.880 8.785 0.095 17812 4115 1 12 . 1 1 328 328 VAL N N 328 123.112 123.112 117.549 5.563 17812 4116 1 12 . 1 1 328 328 VAL HA H 328 4.139 4.139 3.779 0.360 17812 4117 1 12 . 1 1 328 328 VAL C C 328 176.618 176.618 176.504 0.114 17812 4118 1 12 . 1 1 328 328 VAL CA C 328 65.790 65.790 64.655 1.135 17812 4119 1 12 . 1 1 328 328 VAL CB C 328 32.296 32.296 32.207 0.089 17812 4120 1 12 . 1 1 328 328 VAL H H 328 9.058 9.058 8.029 1.029 17812 4121 1 12 . 1 1 329 329 CYS N N 329 117.822 117.822 117.107 0.715 17812 4122 1 12 . 1 1 329 329 CYS HA H 329 4.975 4.975 4.731 0.244 17812 4123 1 12 . 1 1 329 329 CYS C C 329 174.466 174.466 173.630 0.836 17812 4124 1 12 . 1 1 329 329 CYS CA C 329 58.446 58.446 56.308 2.138 17812 4125 1 12 . 1 1 329 329 CYS CB C 329 31.850 31.850 25.757 6.093 17812 4126 1 12 . 1 1 329 329 CYS H H 329 8.372 8.372 7.682 0.690 17812 4127 1 12 . 1 1 330 330 ALA N N 330 130.671 130.671 124.433 6.238 17812 4128 1 12 . 1 1 330 330 ALA HA H 330 4.575 4.575 4.575 0.000 17812 4129 1 12 . 1 1 330 330 ALA C C 330 175.000 175.000 175.091 -0.091 17812 4130 1 12 . 1 1 330 330 ALA CA C 330 50.393 50.393 51.202 -0.808 17812 4131 1 12 . 1 1 330 330 ALA CB C 330 19.244 19.244 20.961 -1.717 17812 4132 1 12 . 1 1 330 330 ALA H H 330 7.030 7.030 7.650 -0.620 17812 4133 1 12 . 1 1 331 331 CYS N N 331 118.585 118.585 119.382 -0.797 17812 4134 1 12 . 1 1 331 331 CYS HA H 331 3.587 3.587 4.516 -0.929 17812 4135 1 12 . 1 1 331 331 CYS C C 331 177.953 177.953 176.533 1.420 17812 4136 1 12 . 1 1 331 331 CYS CA C 331 60.241 60.241 59.542 0.699 17812 4137 1 12 . 1 1 331 331 CYS CB C 331 30.524 30.524 27.235 3.289 17812 4138 1 12 . 1 1 331 331 CYS H H 331 7.081 7.081 8.812 -1.732 17812 4139 1 12 . 1 1 332 332 HIS N N 332 127.546 127.546 127.613 -0.067 17812 4140 1 12 . 1 1 332 332 HIS HA H 332 4.752 4.752 4.314 0.438 17812 4141 1 12 . 1 1 332 332 HIS C C 332 174.236 174.236 175.117 -0.881 17812 4142 1 12 . 1 1 332 332 HIS CA C 332 56.287 56.287 58.903 -2.615 17812 4143 1 12 . 1 1 332 332 HIS CB C 332 28.769 28.769 29.863 -1.094 17812 4144 1 12 . 1 1 332 332 HIS H H 332 9.757 9.757 9.031 0.726 17812 4145 1 12 . 1 1 333 333 LEU N N 333 118.061 118.061 117.645 0.416 17812 4146 1 12 . 1 1 333 333 LEU HA H 333 4.580 4.580 4.046 0.534 17812 4147 1 12 . 1 1 333 333 LEU C C 333 177.564 177.564 178.138 -0.574 17812 4148 1 12 . 1 1 333 333 LEU CA C 333 56.046 56.046 55.611 0.435 17812 4149 1 12 . 1 1 333 333 LEU CB C 333 42.986 42.986 42.109 0.877 17812 4150 1 12 . 1 1 333 333 LEU H H 333 8.773 8.773 7.777 0.996 17812 4151 1 12 . 1 1 334 334 CYS N N 334 118.393 118.393 115.956 2.437 17812 4152 1 12 . 1 1 334 334 CYS HA H 334 5.084 5.084 4.241 0.843 17812 4153 1 12 . 1 1 334 334 CYS C C 334 176.736 176.736 176.313 0.423 17812 4154 1 12 . 1 1 334 334 CYS CA C 334 58.973 58.973 60.509 -1.536 17812 4155 1 12 . 1 1 334 334 CYS CB C 334 32.481 32.481 27.354 5.127 17812 4156 1 12 . 1 1 334 334 CYS H H 334 8.310 8.310 8.239 0.071 17812 4157 1 12 . 1 1 335 335 GLY N N 335 115.992 115.992 109.161 6.831 17812 4158 1 12 . 1 1 335 335 GLY C C 335 172.059 172.059 175.137 -3.078 17812 4159 1 12 . 1 1 335 335 GLY CA C 335 45.652 45.652 44.833 0.819 17812 4160 1 12 . 1 1 335 335 GLY H H 335 8.596 8.596 8.725 -0.129 17812 4161 1 12 . 1 1 336 336 GLY N N 336 111.360 111.360 109.108 2.252 17812 4162 1 12 . 1 1 336 336 GLY C C 336 174.101 174.101 174.703 -0.602 17812 4163 1 12 . 1 1 336 336 GLY CA C 336 44.987 44.987 44.334 0.653 17812 4164 1 12 . 1 1 336 336 GLY H H 336 9.594 9.594 7.820 1.774 17812 4165 1 12 . 1 1 337 337 ARG N N 337 118.859 118.859 123.049 -4.190 17812 4166 1 12 . 1 1 337 337 ARG HA H 337 4.413 4.413 4.028 0.385 17812 4167 1 12 . 1 1 337 337 ARG C C 337 177.635 177.635 176.716 0.919 17812 4168 1 12 . 1 1 337 337 ARG CA C 337 55.364 55.364 57.998 -2.634 17812 4169 1 12 . 1 1 337 337 ARG CB C 337 31.337 31.337 30.350 0.987 17812 4170 1 12 . 1 1 337 337 ARG H H 337 8.827 8.827 8.565 0.262 17812 4171 1 12 . 1 1 338 338 GLN N N 338 120.950 120.950 116.947 4.003 17812 4172 1 12 . 1 1 338 338 GLN HA H 338 4.376 4.376 4.095 0.281 17812 4173 1 12 . 1 1 338 338 GLN C C 338 176.420 176.420 174.437 1.983 17812 4174 1 12 . 1 1 338 338 GLN CA C 338 55.694 55.694 56.700 -1.006 17812 4175 1 12 . 1 1 338 338 GLN CB C 338 28.096 28.096 27.286 0.810 17812 4176 1 12 . 1 1 338 338 GLN H H 338 9.568 9.568 8.258 1.310 17812 4177 1 12 . 1 1 339 339 ASP N N 339 117.880 117.880 115.679 2.201 17812 4178 1 12 . 1 1 339 339 ASP HA H 339 4.625 4.625 4.541 0.084 17812 4179 1 12 . 1 1 339 339 ASP CA C 339 55.283 55.283 53.878 1.405 17812 4180 1 12 . 1 1 339 339 ASP CB C 339 41.092 41.092 40.505 0.587 17812 4181 1 12 . 1 1 339 339 ASP H H 339 9.681 9.681 8.353 1.328 17812 4182 1 12 . 1 1 340 340 PRO HA H 340 4.140 4.140 4.247 -0.107 17812 4183 1 12 . 1 1 340 340 PRO C C 340 177.463 177.463 178.230 -0.767 17812 4184 1 12 . 1 1 340 340 PRO CA C 340 65.883 65.883 64.645 1.238 17812 4185 1 12 . 1 1 340 340 PRO CB C 340 30.045 30.045 31.943 -1.898 17812 4186 1 12 . 1 1 341 341 ASP N N 341 115.117 115.117 117.283 -2.166 17812 4187 1 12 . 1 1 341 341 ASP HA H 341 4.642 4.642 4.388 0.254 17812 4188 1 12 . 1 1 341 341 ASP C C 341 175.663 175.663 176.908 -1.245 17812 4189 1 12 . 1 1 341 341 ASP CA C 341 54.735 54.735 55.961 -1.226 17812 4190 1 12 . 1 1 341 341 ASP CB C 341 39.135 39.135 39.801 -0.666 17812 4191 1 12 . 1 1 341 341 ASP H H 341 9.176 9.176 8.013 1.163 17812 4192 1 12 . 1 1 342 342 LYS N N 342 117.582 117.582 116.791 0.791 17812 4193 1 12 . 1 1 342 342 LYS HA H 342 4.351 4.351 4.301 0.050 17812 4194 1 12 . 1 1 342 342 LYS CA C 342 54.496 54.496 55.999 -1.503 17812 4195 1 12 . 1 1 342 342 LYS CB C 342 33.968 33.968 32.805 1.163 17812 4196 1 12 . 1 1 342 342 LYS H H 342 8.056 8.056 7.504 0.552 17812 4197 1 12 . 1 1 343 343 GLN N N 343 119.535 119.535 118.293 1.242 17812 4198 1 12 . 1 1 343 343 GLN HA H 343 4.510 4.510 3.551 0.959 17812 4199 1 12 . 1 1 343 343 GLN C C 343 175.176 175.176 174.885 0.291 17812 4200 1 12 . 1 1 343 343 GLN CA C 343 54.652 54.652 55.202 -0.550 17812 4201 1 12 . 1 1 343 343 GLN CB C 343 29.270 29.270 29.235 0.035 17812 4202 1 12 . 1 1 343 343 GLN H H 343 7.174 7.174 7.215 -0.041 17812 4203 1 12 . 1 1 344 344 LEU N N 344 124.836 124.836 125.472 -0.636 17812 4204 1 12 . 1 1 344 344 LEU HA H 344 4.307 4.307 4.524 -0.217 17812 4205 1 12 . 1 1 344 344 LEU CA C 344 53.564 53.564 53.912 -0.348 17812 4206 1 12 . 1 1 344 344 LEU CB C 344 44.381 44.381 44.136 0.245 17812 4207 1 12 . 1 1 344 344 LEU H H 344 8.215 8.215 8.546 -0.331 17812 4208 1 12 . 1 1 345 345 MET N N 345 119.349 119.349 125.276 -5.927 17812 4209 1 12 . 1 1 345 345 MET HA H 345 5.433 5.433 5.194 0.239 17812 4210 1 12 . 1 1 345 345 MET C C 345 175.462 175.462 175.384 0.078 17812 4211 1 12 . 1 1 345 345 MET CA C 345 52.877 52.877 54.245 -1.368 17812 4212 1 12 . 1 1 345 345 MET CB C 345 32.312 32.312 34.979 -2.667 17812 4213 1 12 . 1 1 345 345 MET H H 345 8.086 8.086 8.268 -0.182 17812 4214 1 12 . 1 1 346 346 CYS N N 346 124.792 124.792 128.061 -3.269 17812 4215 1 12 . 1 1 346 346 CYS HA H 346 4.751 4.751 4.839 -0.088 17812 4216 1 12 . 1 1 346 346 CYS C C 346 177.998 177.998 176.060 1.938 17812 4217 1 12 . 1 1 346 346 CYS CA C 346 60.088 60.088 58.424 1.664 17812 4218 1 12 . 1 1 346 346 CYS CB C 346 32.345 32.345 28.997 3.349 17812 4219 1 12 . 1 1 346 346 CYS H H 346 9.088 9.088 9.184 -0.096 17812 4220 1 12 . 1 1 347 347 ASP N N 347 129.440 129.440 128.425 1.015 17812 4221 1 12 . 1 1 347 347 ASP HA H 347 4.624 4.624 4.512 0.112 17812 4222 1 12 . 1 1 347 347 ASP C C 347 174.755 174.755 177.952 -3.197 17812 4223 1 12 . 1 1 347 347 ASP CA C 347 57.932 57.932 56.680 1.252 17812 4224 1 12 . 1 1 347 347 ASP CB C 347 41.115 41.115 40.822 0.293 17812 4225 1 12 . 1 1 347 347 ASP H H 347 9.154 9.154 8.866 0.288 17812 4226 1 12 . 1 1 348 348 GLU N N 348 124.253 124.253 118.375 5.878 17812 4227 1 12 . 1 1 348 348 GLU HA H 348 4.895 4.895 4.240 0.655 17812 4228 1 12 . 1 1 348 348 GLU C C 348 176.439 176.439 177.547 -1.108 17812 4229 1 12 . 1 1 348 348 GLU CA C 348 58.673 58.673 58.477 0.196 17812 4230 1 12 . 1 1 348 348 GLU CB C 348 30.510 30.510 30.116 0.395 17812 4231 1 12 . 1 1 348 348 GLU H H 348 9.615 9.615 8.737 0.878 17812 4232 1 12 . 1 1 349 349 CYS N N 349 119.153 119.153 116.371 2.782 17812 4233 1 12 . 1 1 349 349 CYS HA H 349 4.778 4.778 4.660 0.118 17812 4234 1 12 . 1 1 349 349 CYS CA C 349 60.216 60.216 59.131 1.085 17812 4235 1 12 . 1 1 349 349 CYS CB C 349 32.008 32.008 28.775 3.233 17812 4236 1 12 . 1 1 349 349 CYS H H 349 8.522 8.522 7.696 0.826 17812 4237 1 12 . 1 1 350 350 ASP N N 350 115.218 115.218 119.639 -4.421 17812 4238 1 12 . 1 1 350 350 ASP HA H 350 4.492 4.492 4.363 0.129 17812 4239 1 12 . 1 1 350 350 ASP CA C 350 55.086 55.086 55.408 -0.322 17812 4240 1 12 . 1 1 350 350 ASP CB C 350 41.386 41.386 39.582 1.804 17812 4241 1 12 . 1 1 350 350 ASP H H 350 7.813 7.813 8.728 -0.915 17812 4242 1 12 . 1 1 351 351 MET N N 351 117.029 117.029 116.783 0.246 17812 4243 1 12 . 1 1 351 351 MET HA H 351 4.520 4.520 4.709 -0.189 17812 4244 1 12 . 1 1 351 351 MET C C 351 173.497 173.497 174.549 -1.052 17812 4245 1 12 . 1 1 351 351 MET CA C 351 54.706 54.706 54.310 0.396 17812 4246 1 12 . 1 1 351 351 MET CB C 351 34.605 34.605 36.852 -2.247 17812 4247 1 12 . 1 1 351 351 MET H H 351 8.162 8.162 7.517 0.645 17812 4248 1 12 . 1 1 352 352 ALA N N 352 123.068 123.068 122.789 0.279 17812 4249 1 12 . 1 1 352 352 ALA HA H 352 5.528 5.528 5.330 0.198 17812 4250 1 12 . 1 1 352 352 ALA C C 352 177.545 177.545 176.352 1.193 17812 4251 1 12 . 1 1 352 352 ALA CA C 352 49.943 49.943 51.178 -1.235 17812 4252 1 12 . 1 1 352 352 ALA CB C 352 22.111 22.111 20.328 1.783 17812 4253 1 12 . 1 1 352 352 ALA H H 352 8.499 8.499 8.472 0.027 17812 4254 1 12 . 1 1 353 353 PHE N N 353 116.057 116.057 118.752 -2.695 17812 4255 1 12 . 1 1 353 353 PHE HA H 353 5.106 5.106 5.001 0.105 17812 4256 1 12 . 1 1 353 353 PHE C C 353 176.868 176.868 176.904 -0.036 17812 4257 1 12 . 1 1 353 353 PHE CA C 353 56.416 56.416 57.270 -0.854 17812 4258 1 12 . 1 1 353 353 PHE CB C 353 43.111 43.111 43.039 0.072 17812 4259 1 12 . 1 1 353 353 PHE H H 353 9.164 9.164 8.237 0.927 17812 4260 1 12 . 1 1 354 354 HIS N N 354 124.053 124.053 121.735 2.318 17812 4261 1 12 . 1 1 354 354 HIS HA H 354 4.650 4.650 4.551 0.099 17812 4262 1 12 . 1 1 354 354 HIS C C 354 180.505 180.505 177.088 3.417 17812 4263 1 12 . 1 1 354 354 HIS CA C 354 58.931 58.931 57.826 1.105 17812 4264 1 12 . 1 1 354 354 HIS CB C 354 31.235 31.235 30.172 1.063 17812 4265 1 12 . 1 1 354 354 HIS H H 354 9.388 9.388 9.114 0.274 17812 4266 1 12 . 1 1 355 355 ILE N N 355 115.081 115.081 116.657 -1.576 17812 4267 1 12 . 1 1 355 355 ILE HA H 355 3.928 3.928 3.734 0.194 17812 4268 1 12 . 1 1 355 355 ILE C C 355 175.451 175.451 176.206 -0.755 17812 4269 1 12 . 1 1 355 355 ILE CA C 355 65.726 65.726 63.976 1.750 17812 4270 1 12 . 1 1 355 355 ILE CB C 355 36.292 36.292 36.669 -0.377 17812 4271 1 12 . 1 1 355 355 ILE H H 355 8.568 8.568 8.245 0.323 17812 4272 1 12 . 1 1 356 356 TYR N N 356 110.787 110.787 113.328 -2.541 17812 4273 1 12 . 1 1 356 356 TYR HA H 356 4.801 4.801 4.626 0.175 17812 4274 1 12 . 1 1 356 356 TYR C C 356 177.073 177.073 175.485 1.588 17812 4275 1 12 . 1 1 356 356 TYR CA C 356 55.362 55.362 57.392 -2.030 17812 4276 1 12 . 1 1 356 356 TYR CB C 356 36.767 36.767 38.728 -1.961 17812 4277 1 12 . 1 1 356 356 TYR H H 356 6.117 6.117 7.665 -1.548 17812 4278 1 12 . 1 1 357 357 CYS N N 357 121.584 121.584 117.960 3.624 17812 4279 1 12 . 1 1 357 357 CYS HA H 357 4.537 4.537 3.584 0.953 17812 4280 1 12 . 1 1 357 357 CYS C C 357 174.868 174.868 175.015 -0.147 17812 4281 1 12 . 1 1 357 357 CYS CA C 357 62.349 62.349 58.984 3.365 17812 4282 1 12 . 1 1 357 357 CYS CB C 357 31.087 31.087 26.170 4.917 17812 4283 1 12 . 1 1 357 357 CYS H H 357 7.603 7.603 7.404 0.199 17812 4284 1 12 . 1 1 358 358 LEU N N 358 119.134 119.134 121.118 -1.984 17812 4285 1 12 . 1 1 358 358 LEU HA H 358 4.040 4.040 4.272 -0.232 17812 4286 1 12 . 1 1 358 358 LEU CA C 358 55.465 55.465 55.088 0.377 17812 4287 1 12 . 1 1 358 358 LEU CB C 358 44.020 44.020 42.238 1.782 17812 4288 1 12 . 1 1 358 358 LEU H H 358 6.387 6.387 7.234 -0.847 17812 4289 1 12 . 1 1 359 359 ASP N N 359 117.020 117.020 121.606 -4.586 17812 4290 1 12 . 1 1 359 359 ASP HA H 359 4.985 4.985 4.465 0.520 17812 4291 1 12 . 1 1 359 359 ASP CA C 359 50.354 50.354 56.446 -6.091 17812 4292 1 12 . 1 1 359 359 ASP CB C 359 43.465 43.465 40.126 3.339 17812 4293 1 12 . 1 1 359 359 ASP H H 359 8.167 8.167 8.478 -0.311 17812 4294 1 12 . 1 1 360 360 PRO HA H 360 5.202 5.202 4.620 0.582 17812 4295 1 12 . 1 1 360 360 PRO CA C 360 62.131 62.131 61.735 0.396 17812 4296 1 12 . 1 1 360 360 PRO CB C 360 33.173 33.173 31.496 1.677 17812 4297 1 12 . 1 1 361 361 PRO HA H 361 4.462 4.462 4.530 -0.068 17812 4298 1 12 . 1 1 361 361 PRO C C 361 177.733 177.733 176.994 0.739 17812 4299 1 12 . 1 1 361 361 PRO CA C 361 63.068 63.068 62.223 0.845 17812 4300 1 12 . 1 1 361 361 PRO CB C 361 32.301 32.301 32.752 -0.451 17812 4301 1 12 . 1 1 362 362 LEU N N 362 121.043 121.043 121.016 0.027 17812 4302 1 12 . 1 1 362 362 LEU HA H 362 4.761 4.761 4.480 0.281 17812 4303 1 12 . 1 1 362 362 LEU C C 362 177.392 177.392 178.354 -0.962 17812 4304 1 12 . 1 1 362 362 LEU CA C 362 53.621 53.621 54.761 -1.140 17812 4305 1 12 . 1 1 362 362 LEU CB C 362 43.759 43.759 42.043 1.716 17812 4306 1 12 . 1 1 362 362 LEU H H 362 7.798 7.798 8.272 -0.474 17812 4307 1 12 . 1 1 363 363 SER N N 363 115.324 115.324 116.325 -1.001 17812 4308 1 12 . 1 1 363 363 SER HA H 363 4.377 4.377 4.335 0.042 17812 4309 1 12 . 1 1 363 363 SER C C 363 174.070 174.070 174.980 -0.910 17812 4310 1 12 . 1 1 363 363 SER CA C 363 59.341 59.341 60.039 -0.698 17812 4311 1 12 . 1 1 363 363 SER CB C 363 63.871 63.871 63.658 0.213 17812 4312 1 12 . 1 1 363 363 SER H H 363 8.899 8.899 8.585 0.314 17812 4313 1 12 . 1 1 364 364 SER N N 364 112.898 112.898 113.865 -0.967 17812 4314 1 12 . 1 1 364 364 SER HA H 364 4.451 4.451 4.636 -0.185 17812 4315 1 12 . 1 1 364 364 SER C C 364 173.066 173.066 172.569 0.497 17812 4316 1 12 . 1 1 364 364 SER CA C 364 56.852 56.852 57.895 -1.043 17812 4317 1 12 . 1 1 364 364 SER CB C 364 65.197 65.197 64.409 0.788 17812 4318 1 12 . 1 1 364 364 SER H H 364 7.460 7.460 7.632 -0.172 17812 4319 1 12 . 1 1 365 365 VAL N N 365 123.433 123.433 125.600 -2.167 17812 4320 1 12 . 1 1 365 365 VAL HA H 365 3.820 3.820 4.456 -0.636 17812 4321 1 12 . 1 1 365 365 VAL CA C 365 61.613 61.613 59.333 2.280 17812 4322 1 12 . 1 1 365 365 VAL CB C 365 32.428 32.428 33.027 -0.599 17812 4323 1 12 . 1 1 365 365 VAL H H 365 8.695 8.695 8.290 0.405 17812 4324 1 12 . 1 1 366 366 PRO HA H 366 4.457 4.457 4.654 -0.197 17812 4325 1 12 . 1 1 366 366 PRO C C 366 175.679 175.679 176.133 -0.454 17812 4326 1 12 . 1 1 366 366 PRO CA C 366 63.224 63.224 62.820 0.404 17812 4327 1 12 . 1 1 366 366 PRO CB C 366 32.526 32.526 32.728 -0.202 17812 4328 1 12 . 1 1 367 367 SER N N 367 116.079 116.079 118.837 -2.758 17812 4329 1 12 . 1 1 367 367 SER HA H 367 4.456 4.456 4.404 0.052 17812 4330 1 12 . 1 1 367 367 SER C C 367 174.796 174.796 175.809 -1.013 17812 4331 1 12 . 1 1 367 367 SER CA C 367 58.855 58.855 59.113 -0.258 17812 4332 1 12 . 1 1 367 367 SER CB C 367 64.091 64.091 63.849 0.242 17812 4333 1 12 . 1 1 367 367 SER H H 367 8.648 8.648 8.535 0.113 17812 4334 1 12 . 1 1 368 368 GLU N N 368 122.642 122.642 121.296 1.346 17812 4335 1 12 . 1 1 368 368 GLU HA H 368 4.275 4.275 4.201 0.074 17812 4336 1 12 . 1 1 368 368 GLU CA C 368 57.631 57.631 57.698 -0.067 17812 4337 1 12 . 1 1 368 368 GLU CB C 368 30.124 30.124 30.183 -0.059 17812 4338 1 12 . 1 1 368 368 GLU H H 368 8.629 8.629 8.432 0.197 17812 4339 1 12 . 1 1 369 369 ASP N N 369 120.686 120.686 120.134 0.552 17812 4340 1 12 . 1 1 369 369 ASP HA H 369 4.332 4.332 4.629 -0.297 17812 4341 1 12 . 1 1 369 369 ASP CA C 369 57.181 57.181 53.646 3.535 17812 4342 1 12 . 1 1 369 369 ASP CB C 369 41.404 41.404 40.742 0.662 17812 4343 1 12 . 1 1 369 369 ASP H H 369 8.614 8.614 8.072 0.542 17812 4344 1 12 . 1 1 370 370 GLU N N 370 115.631 115.631 123.435 -7.804 17812 4345 1 12 . 1 1 370 370 GLU HA H 370 4.861 4.861 4.209 0.652 17812 4346 1 12 . 1 1 370 370 GLU C C 370 175.047 175.047 175.886 -0.839 17812 4347 1 12 . 1 1 370 370 GLU CA C 370 54.687 54.687 56.971 -2.284 17812 4348 1 12 . 1 1 370 370 GLU CB C 370 32.837 32.837 30.093 2.744 17812 4349 1 12 . 1 1 370 370 GLU H H 370 7.823 7.823 8.568 -0.745 17812 4350 1 12 . 1 1 371 371 TRP N N 371 124.056 124.056 124.697 -0.641 17812 4351 1 12 . 1 1 371 371 TRP HA H 371 4.311 4.311 4.677 -0.366 17812 4352 1 12 . 1 1 371 371 TRP C C 371 171.586 171.586 173.657 -2.071 17812 4353 1 12 . 1 1 371 371 TRP CA C 371 59.845 59.845 55.991 3.854 17812 4354 1 12 . 1 1 371 371 TRP CB C 371 31.317 31.317 30.603 0.714 17812 4355 1 12 . 1 1 371 371 TRP H H 371 9.205 9.205 8.498 0.707 17812 4356 1 12 . 1 1 372 372 TYR N N 372 122.933 122.933 121.461 1.472 17812 4357 1 12 . 1 1 372 372 TYR HA H 372 5.217 5.217 4.220 0.997 17812 4358 1 12 . 1 1 372 372 TYR C C 372 173.821 173.821 175.345 -1.524 17812 4359 1 12 . 1 1 372 372 TYR CA C 372 54.963 54.963 55.086 -0.123 17812 4360 1 12 . 1 1 372 372 TYR CB C 372 41.593 41.593 39.712 1.881 17812 4361 1 12 . 1 1 372 372 TYR H H 372 6.907 6.907 7.846 -0.939 17812 4362 1 12 . 1 1 373 373 CYS N N 373 127.647 127.647 119.778 7.869 17812 4363 1 12 . 1 1 373 373 CYS HA H 373 3.530 3.530 3.319 0.211 17812 4364 1 12 . 1 1 373 373 CYS CA C 373 57.539 57.539 55.450 2.089 17812 4365 1 12 . 1 1 373 373 CYS CB C 373 30.549 30.549 26.261 4.288 17812 4366 1 12 . 1 1 373 373 CYS H H 373 9.310 9.310 7.961 1.349 17812 4367 1 12 . 1 1 374 374 PRO HA H 374 3.987 3.987 3.947 0.040 17812 4368 1 12 . 1 1 374 374 PRO C C 374 178.008 178.008 178.531 -0.523 17812 4369 1 12 . 1 1 374 374 PRO CA C 374 65.504 65.504 65.616 -0.112 17812 4370 1 12 . 1 1 374 374 PRO CB C 374 32.293 32.293 31.684 0.609 17812 4371 1 12 . 1 1 375 375 GLU N N 375 116.759 116.759 117.148 -0.389 17812 4372 1 12 . 1 1 375 375 GLU HA H 375 4.237 4.237 4.097 0.140 17812 4373 1 12 . 1 1 375 375 GLU C C 375 177.054 177.054 177.539 -0.485 17812 4374 1 12 . 1 1 375 375 GLU CA C 375 58.479 58.479 58.833 -0.354 17812 4375 1 12 . 1 1 375 375 GLU CB C 375 30.939 30.939 29.187 1.752 17812 4376 1 12 . 1 1 375 375 GLU H H 375 8.111 8.111 8.756 -0.645 17812 4377 1 12 . 1 1 376 376 CYS N N 376 122.642 122.642 116.980 5.662 17812 4378 1 12 . 1 1 376 376 CYS HA H 376 4.055 4.055 4.183 -0.128 17812 4379 1 12 . 1 1 376 376 CYS CA C 376 62.498 62.498 62.103 0.395 17812 4380 1 12 . 1 1 376 376 CYS CB C 376 31.379 31.379 26.954 4.425 17812 4381 1 12 . 1 1 376 376 CYS H H 376 8.075 8.075 7.363 0.712 17812 4382 1 12 . 1 1 377 377 ARG N N 377 117.680 117.680 120.235 -2.555 17812 4383 1 12 . 1 1 377 377 ARG HA H 377 3.948 3.948 3.994 -0.046 17812 4384 1 12 . 1 1 377 377 ARG C C 377 56.425 56.425 177.726 -121.301 17812 4385 1 12 . 1 1 377 377 ARG CB C 377 30.678 30.678 30.015 0.663 17812 4386 1 12 . 1 1 377 377 ARG H H 377 7.856 7.856 7.857 -0.001 17812 4387 1 12 . 1 1 378 378 ASN N N 378 119.726 119.726 115.732 3.994 17812 4388 1 12 . 1 1 378 378 ASN HA H 378 4.695 4.695 4.644 0.051 17812 4389 1 12 . 1 1 378 378 ASN C C 378 173.554 173.554 174.907 -1.353 17812 4390 1 12 . 1 1 378 378 ASN CA C 378 53.204 53.204 53.301 -0.097 17812 4391 1 12 . 1 1 378 378 ASN CB C 378 39.516 39.516 38.739 0.777 17812 4392 1 12 . 1 1 378 378 ASN H H 378 8.189 8.189 7.948 0.241 17812 4393 1 13 . 1 1 312 312 GLY N N 312 110.352 110.352 111.381 -1.029 17812 4394 1 13 . 1 1 312 312 GLY CA C 312 44.546 44.546 43.805 0.741 17812 4395 1 13 . 1 1 312 312 GLY H H 312 7.809 7.809 8.604 -0.795 17812 4396 1 13 . 1 1 313 313 PRO HA H 313 4.433 4.433 4.254 0.179 17812 4397 1 13 . 1 1 313 313 PRO CA C 313 62.527 62.527 64.225 -1.698 17812 4398 1 13 . 1 1 313 313 PRO CB C 313 31.680 31.680 32.149 -0.469 17812 4399 1 13 . 1 1 314 314 SER N N 314 120.711 120.711 112.533 8.178 17812 4400 1 13 . 1 1 314 314 SER HA H 314 4.331 4.331 4.296 0.035 17812 4401 1 13 . 1 1 314 314 SER C C 314 174.789 174.789 174.666 0.123 17812 4402 1 13 . 1 1 314 314 SER CA C 314 60.627 60.627 59.434 1.193 17812 4403 1 13 . 1 1 314 314 SER CB C 314 63.925 63.925 63.279 0.646 17812 4404 1 13 . 1 1 314 314 SER H H 314 10.435 10.435 8.048 2.387 17812 4405 1 13 . 1 1 315 315 CYS N N 315 125.240 125.240 121.431 3.809 17812 4406 1 13 . 1 1 315 315 CYS HA H 315 4.698 4.698 4.753 -0.055 17812 4407 1 13 . 1 1 315 315 CYS C C 315 176.852 176.852 174.046 2.806 17812 4408 1 13 . 1 1 315 315 CYS CA C 315 58.281 58.281 58.578 -0.298 17812 4409 1 13 . 1 1 315 315 CYS CB C 315 32.487 32.487 28.378 4.109 17812 4410 1 13 . 1 1 315 315 CYS H H 315 9.159 9.159 7.638 1.521 17812 4411 1 13 . 1 1 316 316 LYS N N 316 127.250 127.250 126.465 0.785 17812 4412 1 13 . 1 1 316 316 LYS HA H 316 4.005 4.005 4.540 -0.535 17812 4413 1 13 . 1 1 316 316 LYS C C 316 176.341 176.341 176.498 -0.157 17812 4414 1 13 . 1 1 316 316 LYS CA C 316 58.026 58.026 56.680 1.346 17812 4415 1 13 . 1 1 316 316 LYS CB C 316 32.116 32.116 32.640 -0.524 17812 4416 1 13 . 1 1 316 316 LYS H H 316 8.951 8.951 8.387 0.564 17812 4417 1 13 . 1 1 317 317 HIS N N 317 121.622 121.622 118.717 2.905 17812 4418 1 13 . 1 1 317 317 HIS HA H 317 4.367 4.367 4.453 -0.086 17812 4419 1 13 . 1 1 317 317 HIS C C 317 176.348 176.348 176.930 -0.582 17812 4420 1 13 . 1 1 317 317 HIS CA C 317 59.351 59.351 59.525 -0.173 17812 4421 1 13 . 1 1 317 317 HIS CB C 317 31.034 31.034 29.177 1.857 17812 4422 1 13 . 1 1 317 317 HIS H H 317 8.882 8.882 7.833 1.049 17812 4423 1 13 . 1 1 318 318 CYS N N 318 115.222 115.222 116.073 -0.851 17812 4424 1 13 . 1 1 318 318 CYS HA H 318 4.839 4.839 4.618 0.221 17812 4425 1 13 . 1 1 318 318 CYS C C 318 176.909 176.909 176.187 0.722 17812 4426 1 13 . 1 1 318 318 CYS CA C 318 58.040 58.040 58.795 -0.755 17812 4427 1 13 . 1 1 318 318 CYS CB C 318 31.925 31.925 26.614 5.311 17812 4428 1 13 . 1 1 318 318 CYS H H 318 8.081 8.081 8.384 -0.303 17812 4429 1 13 . 1 1 319 319 LYS N N 319 119.827 119.827 120.874 -1.047 17812 4430 1 13 . 1 1 319 319 LYS HA H 319 3.886 3.886 4.005 -0.119 17812 4431 1 13 . 1 1 319 319 LYS C C 319 174.670 174.670 178.128 -3.458 17812 4432 1 13 . 1 1 319 319 LYS CA C 319 57.728 57.728 59.359 -1.631 17812 4433 1 13 . 1 1 319 319 LYS CB C 319 28.902 28.902 32.595 -3.693 17812 4434 1 13 . 1 1 319 319 LYS H H 319 7.895 7.895 8.577 -0.682 17812 4435 1 13 . 1 1 320 320 ASP N N 320 117.610 117.610 117.494 0.116 17812 4436 1 13 . 1 1 320 320 ASP HA H 320 4.206 4.206 4.427 -0.221 17812 4437 1 13 . 1 1 320 320 ASP C C 320 174.861 174.861 175.646 -0.785 17812 4438 1 13 . 1 1 320 320 ASP CA C 320 54.551 54.551 56.358 -1.807 17812 4439 1 13 . 1 1 320 320 ASP CB C 320 38.354 38.354 40.545 -2.191 17812 4440 1 13 . 1 1 320 320 ASP H H 320 8.873 8.873 8.452 0.421 17812 4441 1 13 . 1 1 321 321 ASP N N 321 118.813 118.813 114.805 4.008 17812 4442 1 13 . 1 1 321 321 ASP HA H 321 4.595 4.595 4.725 -0.130 17812 4443 1 13 . 1 1 321 321 ASP C C 321 176.386 176.386 176.003 0.383 17812 4444 1 13 . 1 1 321 321 ASP CA C 321 53.781 53.781 52.794 0.987 17812 4445 1 13 . 1 1 321 321 ASP CB C 321 40.782 40.782 39.524 1.258 17812 4446 1 13 . 1 1 321 321 ASP H H 321 7.212 7.212 7.344 -0.132 17812 4447 1 13 . 1 1 322 322 VAL N N 322 122.228 122.228 121.518 0.710 17812 4448 1 13 . 1 1 322 322 VAL HA H 322 3.866 3.866 3.676 0.190 17812 4449 1 13 . 1 1 322 322 VAL CA C 322 63.885 63.885 64.851 -0.966 17812 4450 1 13 . 1 1 322 322 VAL CB C 322 31.385 31.385 31.799 -0.414 17812 4451 1 13 . 1 1 322 322 VAL H H 322 8.060 8.060 8.050 0.010 17812 4452 1 13 . 1 1 323 323 ASN N N 323 117.787 117.787 115.856 1.931 17812 4453 1 13 . 1 1 323 323 ASN HA H 323 4.710 4.710 4.494 0.216 17812 4454 1 13 . 1 1 323 323 ASN CA C 323 54.065 54.065 54.458 -0.393 17812 4455 1 13 . 1 1 323 323 ASN CB C 323 38.876 38.876 38.292 0.584 17812 4456 1 13 . 1 1 323 323 ASN H H 323 8.486 8.486 8.606 -0.120 17812 4457 1 13 . 1 1 324 324 ARG N N 324 120.106 120.106 119.680 0.426 17812 4458 1 13 . 1 1 324 324 ARG HA H 324 4.632 4.632 4.282 0.349 17812 4459 1 13 . 1 1 324 324 ARG C C 324 175.881 175.881 174.380 1.501 17812 4460 1 13 . 1 1 324 324 ARG CA C 324 54.488 54.488 55.212 -0.724 17812 4461 1 13 . 1 1 324 324 ARG CB C 324 32.709 32.709 31.475 1.234 17812 4462 1 13 . 1 1 324 324 ARG H H 324 7.955 7.955 7.426 0.529 17812 4463 1 13 . 1 1 325 325 LEU N N 325 123.983 123.983 121.017 2.966 17812 4464 1 13 . 1 1 325 325 LEU HA H 325 4.422 4.422 4.404 0.018 17812 4465 1 13 . 1 1 325 325 LEU C C 325 177.647 177.647 176.881 0.766 17812 4466 1 13 . 1 1 325 325 LEU CA C 325 54.910 54.910 55.336 -0.426 17812 4467 1 13 . 1 1 325 325 LEU CB C 325 42.720 42.720 42.852 -0.132 17812 4468 1 13 . 1 1 325 325 LEU H H 325 8.423 8.423 8.116 0.307 17812 4469 1 13 . 1 1 326 326 CYS N N 326 123.693 123.693 126.561 -2.868 17812 4470 1 13 . 1 1 326 326 CYS HA H 326 4.474 4.474 4.607 -0.133 17812 4471 1 13 . 1 1 326 326 CYS C C 326 174.472 174.472 175.143 -0.671 17812 4472 1 13 . 1 1 326 326 CYS CA C 326 60.503 60.503 58.629 1.874 17812 4473 1 13 . 1 1 326 326 CYS CB C 326 32.551 32.551 27.119 5.432 17812 4474 1 13 . 1 1 326 326 CYS H H 326 9.277 9.277 8.755 0.522 17812 4475 1 13 . 1 1 327 327 ARG N N 327 126.881 126.881 127.147 -0.266 17812 4476 1 13 . 1 1 327 327 ARG HA H 327 4.579 4.579 4.168 0.411 17812 4477 1 13 . 1 1 327 327 ARG C C 327 175.128 175.128 177.752 -2.624 17812 4478 1 13 . 1 1 327 327 ARG CA C 327 56.522 56.522 58.230 -1.708 17812 4479 1 13 . 1 1 327 327 ARG CB C 327 29.116 29.116 30.563 -1.447 17812 4480 1 13 . 1 1 327 327 ARG H H 327 8.880 8.880 8.715 0.165 17812 4481 1 13 . 1 1 328 328 VAL N N 328 123.112 123.112 117.258 5.854 17812 4482 1 13 . 1 1 328 328 VAL HA H 328 4.139 4.139 3.655 0.484 17812 4483 1 13 . 1 1 328 328 VAL C C 328 176.618 176.618 176.132 0.486 17812 4484 1 13 . 1 1 328 328 VAL CA C 328 65.790 65.790 64.650 1.140 17812 4485 1 13 . 1 1 328 328 VAL CB C 328 32.296 32.296 32.090 0.206 17812 4486 1 13 . 1 1 328 328 VAL H H 328 9.058 9.058 8.269 0.789 17812 4487 1 13 . 1 1 329 329 CYS N N 329 117.822 117.822 116.726 1.096 17812 4488 1 13 . 1 1 329 329 CYS HA H 329 4.975 4.975 4.718 0.257 17812 4489 1 13 . 1 1 329 329 CYS C C 329 174.466 174.466 173.725 0.741 17812 4490 1 13 . 1 1 329 329 CYS CA C 329 58.446 58.446 56.400 2.046 17812 4491 1 13 . 1 1 329 329 CYS CB C 329 31.850 31.850 25.456 6.394 17812 4492 1 13 . 1 1 329 329 CYS H H 329 8.372 8.372 7.854 0.518 17812 4493 1 13 . 1 1 330 330 ALA N N 330 130.671 130.671 124.724 5.947 17812 4494 1 13 . 1 1 330 330 ALA HA H 330 4.575 4.575 4.471 0.104 17812 4495 1 13 . 1 1 330 330 ALA C C 330 175.000 175.000 175.318 -0.318 17812 4496 1 13 . 1 1 330 330 ALA CA C 330 50.393 50.393 50.917 -0.524 17812 4497 1 13 . 1 1 330 330 ALA CB C 330 19.244 19.244 20.718 -1.474 17812 4498 1 13 . 1 1 330 330 ALA H H 330 7.030 7.030 7.595 -0.565 17812 4499 1 13 . 1 1 331 331 CYS N N 331 118.585 118.585 120.069 -1.484 17812 4500 1 13 . 1 1 331 331 CYS HA H 331 3.587 3.587 4.541 -0.954 17812 4501 1 13 . 1 1 331 331 CYS C C 331 177.953 177.953 175.984 1.969 17812 4502 1 13 . 1 1 331 331 CYS CA C 331 60.241 60.241 60.211 0.030 17812 4503 1 13 . 1 1 331 331 CYS CB C 331 30.524 30.524 27.931 2.593 17812 4504 1 13 . 1 1 331 331 CYS H H 331 7.081 7.081 8.634 -1.553 17812 4505 1 13 . 1 1 332 332 HIS N N 332 127.546 127.546 127.171 0.375 17812 4506 1 13 . 1 1 332 332 HIS HA H 332 4.752 4.752 4.239 0.513 17812 4507 1 13 . 1 1 332 332 HIS C C 332 174.236 174.236 174.521 -0.285 17812 4508 1 13 . 1 1 332 332 HIS CA C 332 56.287 56.287 58.419 -2.132 17812 4509 1 13 . 1 1 332 332 HIS CB C 332 28.769 28.769 29.908 -1.139 17812 4510 1 13 . 1 1 332 332 HIS H H 332 9.757 9.757 8.857 0.900 17812 4511 1 13 . 1 1 333 333 LEU N N 333 118.061 118.061 118.582 -0.521 17812 4512 1 13 . 1 1 333 333 LEU HA H 333 4.580 4.580 4.302 0.278 17812 4513 1 13 . 1 1 333 333 LEU C C 333 177.564 177.564 177.711 -0.147 17812 4514 1 13 . 1 1 333 333 LEU CA C 333 56.046 56.046 53.742 2.304 17812 4515 1 13 . 1 1 333 333 LEU CB C 333 42.986 42.986 42.894 0.092 17812 4516 1 13 . 1 1 333 333 LEU H H 333 8.773 8.773 7.841 0.932 17812 4517 1 13 . 1 1 334 334 CYS N N 334 118.393 118.393 120.268 -1.875 17812 4518 1 13 . 1 1 334 334 CYS HA H 334 5.084 5.084 4.152 0.932 17812 4519 1 13 . 1 1 334 334 CYS C C 334 176.736 176.736 175.955 0.781 17812 4520 1 13 . 1 1 334 334 CYS CA C 334 58.973 58.973 59.666 -0.693 17812 4521 1 13 . 1 1 334 334 CYS CB C 334 32.481 32.481 26.287 6.194 17812 4522 1 13 . 1 1 334 334 CYS H H 334 8.310 8.310 9.237 -0.927 17812 4523 1 13 . 1 1 335 335 GLY N N 335 115.992 115.992 113.311 2.681 17812 4524 1 13 . 1 1 335 335 GLY C C 335 172.059 172.059 174.527 -2.468 17812 4525 1 13 . 1 1 335 335 GLY CA C 335 45.652 45.652 45.555 0.097 17812 4526 1 13 . 1 1 335 335 GLY H H 335 8.596 8.596 8.495 0.101 17812 4527 1 13 . 1 1 336 336 GLY N N 336 111.360 111.360 106.274 5.086 17812 4528 1 13 . 1 1 336 336 GLY C C 336 174.101 174.101 173.458 0.643 17812 4529 1 13 . 1 1 336 336 GLY CA C 336 44.987 44.987 43.749 1.238 17812 4530 1 13 . 1 1 336 336 GLY H H 336 9.594 9.594 8.063 1.531 17812 4531 1 13 . 1 1 337 337 ARG N N 337 118.859 118.859 117.809 1.050 17812 4532 1 13 . 1 1 337 337 ARG HA H 337 4.413 4.413 4.502 -0.089 17812 4533 1 13 . 1 1 337 337 ARG C C 337 177.635 177.635 175.662 1.973 17812 4534 1 13 . 1 1 337 337 ARG CA C 337 55.364 55.364 55.344 0.020 17812 4535 1 13 . 1 1 337 337 ARG CB C 337 31.337 31.337 31.107 0.230 17812 4536 1 13 . 1 1 337 337 ARG H H 337 8.827 8.827 8.591 0.236 17812 4537 1 13 . 1 1 338 338 GLN N N 338 120.950 120.950 120.217 0.733 17812 4538 1 13 . 1 1 338 338 GLN HA H 338 4.376 4.376 4.351 0.025 17812 4539 1 13 . 1 1 338 338 GLN C C 338 176.420 176.420 175.218 1.202 17812 4540 1 13 . 1 1 338 338 GLN CA C 338 55.694 55.694 56.286 -0.592 17812 4541 1 13 . 1 1 338 338 GLN CB C 338 28.096 28.096 29.342 -1.246 17812 4542 1 13 . 1 1 338 338 GLN H H 338 9.568 9.568 8.271 1.297 17812 4543 1 13 . 1 1 339 339 ASP N N 339 117.880 117.880 120.310 -2.430 17812 4544 1 13 . 1 1 339 339 ASP HA H 339 4.625 4.625 4.398 0.227 17812 4545 1 13 . 1 1 339 339 ASP CA C 339 55.283 55.283 54.333 0.950 17812 4546 1 13 . 1 1 339 339 ASP CB C 339 41.092 41.092 39.337 1.755 17812 4547 1 13 . 1 1 339 339 ASP H H 339 9.681 9.681 8.733 0.948 17812 4548 1 13 . 1 1 340 340 PRO HA H 340 4.140 4.140 4.097 0.043 17812 4549 1 13 . 1 1 340 340 PRO C C 340 177.463 177.463 178.349 -0.886 17812 4550 1 13 . 1 1 340 340 PRO CA C 340 65.883 65.883 64.781 1.101 17812 4551 1 13 . 1 1 340 340 PRO CB C 340 30.045 30.045 31.895 -1.850 17812 4552 1 13 . 1 1 341 341 ASP N N 341 115.117 115.117 115.384 -0.267 17812 4553 1 13 . 1 1 341 341 ASP HA H 341 4.642 4.642 4.372 0.270 17812 4554 1 13 . 1 1 341 341 ASP C C 341 175.663 175.663 176.726 -1.063 17812 4555 1 13 . 1 1 341 341 ASP CA C 341 54.735 54.735 55.786 -1.051 17812 4556 1 13 . 1 1 341 341 ASP CB C 341 39.135 39.135 39.944 -0.809 17812 4557 1 13 . 1 1 341 341 ASP H H 341 9.176 9.176 8.737 0.439 17812 4558 1 13 . 1 1 342 342 LYS N N 342 117.582 117.582 117.958 -0.376 17812 4559 1 13 . 1 1 342 342 LYS HA H 342 4.351 4.351 4.255 0.096 17812 4560 1 13 . 1 1 342 342 LYS CA C 342 54.496 54.496 55.857 -1.361 17812 4561 1 13 . 1 1 342 342 LYS CB C 342 33.968 33.968 32.358 1.610 17812 4562 1 13 . 1 1 342 342 LYS H H 342 8.056 8.056 7.492 0.564 17812 4563 1 13 . 1 1 343 343 GLN N N 343 119.535 119.535 118.062 1.473 17812 4564 1 13 . 1 1 343 343 GLN HA H 343 4.510 4.510 4.129 0.381 17812 4565 1 13 . 1 1 343 343 GLN C C 343 175.176 175.176 175.156 0.020 17812 4566 1 13 . 1 1 343 343 GLN CA C 343 54.652 54.652 55.400 -0.748 17812 4567 1 13 . 1 1 343 343 GLN CB C 343 29.270 29.270 29.345 -0.075 17812 4568 1 13 . 1 1 343 343 GLN H H 343 7.174 7.174 7.063 0.111 17812 4569 1 13 . 1 1 344 344 LEU N N 344 124.836 124.836 125.398 -0.562 17812 4570 1 13 . 1 1 344 344 LEU HA H 344 4.307 4.307 4.693 -0.386 17812 4571 1 13 . 1 1 344 344 LEU CA C 344 53.564 53.564 54.513 -0.949 17812 4572 1 13 . 1 1 344 344 LEU CB C 344 44.381 44.381 44.041 0.340 17812 4573 1 13 . 1 1 344 344 LEU H H 344 8.215 8.215 8.677 -0.462 17812 4574 1 13 . 1 1 345 345 MET N N 345 119.349 119.349 123.405 -4.056 17812 4575 1 13 . 1 1 345 345 MET HA H 345 5.433 5.433 5.360 0.073 17812 4576 1 13 . 1 1 345 345 MET C C 345 175.462 175.462 175.229 0.233 17812 4577 1 13 . 1 1 345 345 MET CA C 345 52.877 52.877 53.873 -0.996 17812 4578 1 13 . 1 1 345 345 MET CB C 345 32.312 32.312 36.191 -3.879 17812 4579 1 13 . 1 1 345 345 MET H H 345 8.086 8.086 8.326 -0.240 17812 4580 1 13 . 1 1 346 346 CYS N N 346 124.792 124.792 124.781 0.011 17812 4581 1 13 . 1 1 346 346 CYS HA H 346 4.751 4.751 5.037 -0.286 17812 4582 1 13 . 1 1 346 346 CYS C C 346 177.998 177.998 175.668 2.330 17812 4583 1 13 . 1 1 346 346 CYS CA C 346 60.088 60.088 57.852 2.236 17812 4584 1 13 . 1 1 346 346 CYS CB C 346 32.345 32.345 29.442 2.903 17812 4585 1 13 . 1 1 346 346 CYS H H 346 9.088 9.088 8.861 0.228 17812 4586 1 13 . 1 1 347 347 ASP N N 347 129.440 129.440 127.556 1.884 17812 4587 1 13 . 1 1 347 347 ASP HA H 347 4.624 4.624 4.664 -0.040 17812 4588 1 13 . 1 1 347 347 ASP C C 347 174.755 174.755 177.434 -2.679 17812 4589 1 13 . 1 1 347 347 ASP CA C 347 57.932 57.932 56.514 1.418 17812 4590 1 13 . 1 1 347 347 ASP CB C 347 41.115 41.115 40.837 0.278 17812 4591 1 13 . 1 1 347 347 ASP H H 347 9.154 9.154 8.823 0.331 17812 4592 1 13 . 1 1 348 348 GLU N N 348 124.253 124.253 117.853 6.400 17812 4593 1 13 . 1 1 348 348 GLU HA H 348 4.895 4.895 4.279 0.616 17812 4594 1 13 . 1 1 348 348 GLU C C 348 176.439 176.439 177.565 -1.126 17812 4595 1 13 . 1 1 348 348 GLU CA C 348 58.673 58.673 58.243 0.430 17812 4596 1 13 . 1 1 348 348 GLU CB C 348 30.510 30.510 29.857 0.653 17812 4597 1 13 . 1 1 348 348 GLU H H 348 9.615 9.615 8.788 0.827 17812 4598 1 13 . 1 1 349 349 CYS N N 349 119.153 119.153 116.855 2.298 17812 4599 1 13 . 1 1 349 349 CYS HA H 349 4.778 4.778 4.588 0.190 17812 4600 1 13 . 1 1 349 349 CYS CA C 349 60.216 60.216 58.417 1.799 17812 4601 1 13 . 1 1 349 349 CYS CB C 349 32.008 32.008 28.546 3.462 17812 4602 1 13 . 1 1 349 349 CYS H H 349 8.522 8.522 7.757 0.765 17812 4603 1 13 . 1 1 350 350 ASP N N 350 115.218 115.218 119.026 -3.808 17812 4604 1 13 . 1 1 350 350 ASP HA H 350 4.492 4.492 4.406 0.086 17812 4605 1 13 . 1 1 350 350 ASP CA C 350 55.086 55.086 55.383 -0.297 17812 4606 1 13 . 1 1 350 350 ASP CB C 350 41.386 41.386 38.809 2.577 17812 4607 1 13 . 1 1 350 350 ASP H H 350 7.813 7.813 8.761 -0.948 17812 4608 1 13 . 1 1 351 351 MET N N 351 117.029 117.029 117.565 -0.536 17812 4609 1 13 . 1 1 351 351 MET HA H 351 4.520 4.520 4.641 -0.121 17812 4610 1 13 . 1 1 351 351 MET C C 351 173.497 173.497 174.701 -1.204 17812 4611 1 13 . 1 1 351 351 MET CA C 351 54.706 54.706 52.641 2.065 17812 4612 1 13 . 1 1 351 351 MET CB C 351 34.605 34.605 35.626 -1.021 17812 4613 1 13 . 1 1 351 351 MET H H 351 8.162 8.162 7.534 0.628 17812 4614 1 13 . 1 1 352 352 ALA N N 352 123.068 123.068 122.654 0.414 17812 4615 1 13 . 1 1 352 352 ALA HA H 352 5.528 5.528 5.377 0.151 17812 4616 1 13 . 1 1 352 352 ALA C C 352 177.545 177.545 176.225 1.320 17812 4617 1 13 . 1 1 352 352 ALA CA C 352 49.943 49.943 50.678 -0.735 17812 4618 1 13 . 1 1 352 352 ALA CB C 352 22.111 22.111 21.345 0.766 17812 4619 1 13 . 1 1 352 352 ALA H H 352 8.499 8.499 8.077 0.422 17812 4620 1 13 . 1 1 353 353 PHE N N 353 116.057 116.057 117.523 -1.466 17812 4621 1 13 . 1 1 353 353 PHE HA H 353 5.106 5.106 4.880 0.226 17812 4622 1 13 . 1 1 353 353 PHE C C 353 176.868 176.868 176.660 0.208 17812 4623 1 13 . 1 1 353 353 PHE CA C 353 56.416 56.416 57.076 -0.660 17812 4624 1 13 . 1 1 353 353 PHE CB C 353 43.111 43.111 42.733 0.378 17812 4625 1 13 . 1 1 353 353 PHE H H 353 9.164 9.164 8.276 0.888 17812 4626 1 13 . 1 1 354 354 HIS N N 354 124.053 124.053 121.438 2.615 17812 4627 1 13 . 1 1 354 354 HIS HA H 354 4.650 4.650 4.220 0.430 17812 4628 1 13 . 1 1 354 354 HIS C C 354 180.505 180.505 176.993 3.512 17812 4629 1 13 . 1 1 354 354 HIS CA C 354 58.931 58.931 56.589 2.342 17812 4630 1 13 . 1 1 354 354 HIS CB C 354 31.235 31.235 29.587 1.649 17812 4631 1 13 . 1 1 354 354 HIS H H 354 9.388 9.388 8.959 0.429 17812 4632 1 13 . 1 1 355 355 ILE N N 355 115.081 115.081 116.711 -1.630 17812 4633 1 13 . 1 1 355 355 ILE HA H 355 3.928 3.928 3.657 0.271 17812 4634 1 13 . 1 1 355 355 ILE C C 355 175.451 175.451 175.726 -0.275 17812 4635 1 13 . 1 1 355 355 ILE CA C 355 65.726 65.726 63.928 1.798 17812 4636 1 13 . 1 1 355 355 ILE CB C 355 36.292 36.292 37.065 -0.773 17812 4637 1 13 . 1 1 355 355 ILE H H 355 8.568 8.568 8.280 0.288 17812 4638 1 13 . 1 1 356 356 TYR N N 356 110.787 110.787 112.458 -1.671 17812 4639 1 13 . 1 1 356 356 TYR HA H 356 4.801 4.801 4.695 0.106 17812 4640 1 13 . 1 1 356 356 TYR C C 356 177.073 177.073 175.576 1.497 17812 4641 1 13 . 1 1 356 356 TYR CA C 356 55.362 55.362 57.475 -2.113 17812 4642 1 13 . 1 1 356 356 TYR CB C 356 36.767 36.767 38.417 -1.650 17812 4643 1 13 . 1 1 356 356 TYR H H 356 6.117 6.117 7.392 -1.275 17812 4644 1 13 . 1 1 357 357 CYS N N 357 121.584 121.584 117.612 3.972 17812 4645 1 13 . 1 1 357 357 CYS HA H 357 4.537 4.537 3.826 0.711 17812 4646 1 13 . 1 1 357 357 CYS C C 357 174.868 174.868 175.234 -0.366 17812 4647 1 13 . 1 1 357 357 CYS CA C 357 62.349 62.349 59.710 2.639 17812 4648 1 13 . 1 1 357 357 CYS CB C 357 31.087 31.087 26.329 4.758 17812 4649 1 13 . 1 1 357 357 CYS H H 357 7.603 7.603 6.579 1.024 17812 4650 1 13 . 1 1 358 358 LEU N N 358 119.134 119.134 120.781 -1.647 17812 4651 1 13 . 1 1 358 358 LEU HA H 358 4.040 4.040 4.200 -0.160 17812 4652 1 13 . 1 1 358 358 LEU CA C 358 55.465 55.465 55.097 0.368 17812 4653 1 13 . 1 1 358 358 LEU CB C 358 44.020 44.020 42.121 1.899 17812 4654 1 13 . 1 1 358 358 LEU H H 358 6.387 6.387 7.386 -0.999 17812 4655 1 13 . 1 1 359 359 ASP N N 359 117.020 117.020 122.684 -5.664 17812 4656 1 13 . 1 1 359 359 ASP HA H 359 4.985 4.985 4.528 0.457 17812 4657 1 13 . 1 1 359 359 ASP CA C 359 50.354 50.354 55.976 -5.622 17812 4658 1 13 . 1 1 359 359 ASP CB C 359 43.465 43.465 40.046 3.419 17812 4659 1 13 . 1 1 359 359 ASP H H 359 8.167 8.167 8.554 -0.387 17812 4660 1 13 . 1 1 360 360 PRO HA H 360 5.202 5.202 4.524 0.678 17812 4661 1 13 . 1 1 360 360 PRO CA C 360 62.131 62.131 62.239 -0.108 17812 4662 1 13 . 1 1 360 360 PRO CB C 360 33.173 33.173 31.529 1.645 17812 4663 1 13 . 1 1 361 361 PRO HA H 361 4.462 4.462 4.492 -0.030 17812 4664 1 13 . 1 1 361 361 PRO C C 361 177.733 177.733 177.521 0.212 17812 4665 1 13 . 1 1 361 361 PRO CA C 361 63.068 63.068 61.987 1.081 17812 4666 1 13 . 1 1 361 361 PRO CB C 361 32.301 32.301 32.801 -0.500 17812 4667 1 13 . 1 1 362 362 LEU N N 362 121.043 121.043 121.238 -0.195 17812 4668 1 13 . 1 1 362 362 LEU HA H 362 4.761 4.761 4.476 0.285 17812 4669 1 13 . 1 1 362 362 LEU C C 362 177.392 177.392 178.038 -0.646 17812 4670 1 13 . 1 1 362 362 LEU CA C 362 53.621 53.621 54.737 -1.116 17812 4671 1 13 . 1 1 362 362 LEU CB C 362 43.759 43.759 42.481 1.278 17812 4672 1 13 . 1 1 362 362 LEU H H 362 7.798 7.798 8.397 -0.599 17812 4673 1 13 . 1 1 363 363 SER N N 363 115.324 115.324 116.181 -0.857 17812 4674 1 13 . 1 1 363 363 SER HA H 363 4.377 4.377 4.299 0.078 17812 4675 1 13 . 1 1 363 363 SER C C 363 174.070 174.070 174.332 -0.262 17812 4676 1 13 . 1 1 363 363 SER CA C 363 59.341 59.341 59.973 -0.632 17812 4677 1 13 . 1 1 363 363 SER CB C 363 63.871 63.871 63.592 0.279 17812 4678 1 13 . 1 1 363 363 SER H H 363 8.899 8.899 8.577 0.322 17812 4679 1 13 . 1 1 364 364 SER N N 364 112.898 112.898 114.633 -1.735 17812 4680 1 13 . 1 1 364 364 SER HA H 364 4.451 4.451 4.548 -0.097 17812 4681 1 13 . 1 1 364 364 SER C C 364 173.066 173.066 172.862 0.204 17812 4682 1 13 . 1 1 364 364 SER CA C 364 56.852 56.852 57.835 -0.983 17812 4683 1 13 . 1 1 364 364 SER CB C 364 65.197 65.197 63.906 1.291 17812 4684 1 13 . 1 1 364 364 SER H H 364 7.460 7.460 7.678 -0.218 17812 4685 1 13 . 1 1 365 365 VAL N N 365 123.433 123.433 125.240 -1.807 17812 4686 1 13 . 1 1 365 365 VAL HA H 365 3.820 3.820 4.465 -0.645 17812 4687 1 13 . 1 1 365 365 VAL CA C 365 61.613 61.613 59.212 2.401 17812 4688 1 13 . 1 1 365 365 VAL CB C 365 32.428 32.428 33.346 -0.918 17812 4689 1 13 . 1 1 365 365 VAL H H 365 8.695 8.695 8.295 0.400 17812 4690 1 13 . 1 1 366 366 PRO HA H 366 4.457 4.457 4.667 -0.210 17812 4691 1 13 . 1 1 366 366 PRO C C 366 175.679 175.679 176.250 -0.571 17812 4692 1 13 . 1 1 366 366 PRO CA C 366 63.224 63.224 62.755 0.469 17812 4693 1 13 . 1 1 366 366 PRO CB C 366 32.526 32.526 32.620 -0.094 17812 4694 1 13 . 1 1 367 367 SER N N 367 116.079 116.079 118.661 -2.582 17812 4695 1 13 . 1 1 367 367 SER HA H 367 4.456 4.456 4.463 -0.007 17812 4696 1 13 . 1 1 367 367 SER C C 367 174.796 174.796 175.876 -1.080 17812 4697 1 13 . 1 1 367 367 SER CA C 367 58.855 58.855 59.114 -0.259 17812 4698 1 13 . 1 1 367 367 SER CB C 367 64.091 64.091 64.134 -0.043 17812 4699 1 13 . 1 1 367 367 SER H H 367 8.648 8.648 8.643 0.005 17812 4700 1 13 . 1 1 368 368 GLU N N 368 122.642 122.642 121.530 1.112 17812 4701 1 13 . 1 1 368 368 GLU HA H 368 4.275 4.275 4.258 0.017 17812 4702 1 13 . 1 1 368 368 GLU CA C 368 57.631 57.631 57.612 0.019 17812 4703 1 13 . 1 1 368 368 GLU CB C 368 30.124 30.124 30.119 0.005 17812 4704 1 13 . 1 1 368 368 GLU H H 368 8.629 8.629 8.528 0.101 17812 4705 1 13 . 1 1 369 369 ASP N N 369 120.686 120.686 120.163 0.523 17812 4706 1 13 . 1 1 369 369 ASP HA H 369 4.332 4.332 4.629 -0.297 17812 4707 1 13 . 1 1 369 369 ASP CA C 369 57.181 57.181 53.861 3.320 17812 4708 1 13 . 1 1 369 369 ASP CB C 369 41.404 41.404 41.259 0.145 17812 4709 1 13 . 1 1 369 369 ASP H H 369 8.614 8.614 8.064 0.550 17812 4710 1 13 . 1 1 370 370 GLU N N 370 115.631 115.631 123.724 -8.093 17812 4711 1 13 . 1 1 370 370 GLU HA H 370 4.861 4.861 4.233 0.628 17812 4712 1 13 . 1 1 370 370 GLU C C 370 175.047 175.047 175.840 -0.793 17812 4713 1 13 . 1 1 370 370 GLU CA C 370 54.687 54.687 56.541 -1.854 17812 4714 1 13 . 1 1 370 370 GLU CB C 370 32.837 32.837 30.256 2.581 17812 4715 1 13 . 1 1 370 370 GLU H H 370 7.823 7.823 8.661 -0.838 17812 4716 1 13 . 1 1 371 371 TRP N N 371 124.056 124.056 126.117 -2.061 17812 4717 1 13 . 1 1 371 371 TRP HA H 371 4.311 4.311 4.635 -0.324 17812 4718 1 13 . 1 1 371 371 TRP C C 371 171.586 171.586 173.636 -2.050 17812 4719 1 13 . 1 1 371 371 TRP CA C 371 59.845 59.845 56.537 3.308 17812 4720 1 13 . 1 1 371 371 TRP CB C 371 31.317 31.317 30.023 1.294 17812 4721 1 13 . 1 1 371 371 TRP H H 371 9.205 9.205 8.553 0.652 17812 4722 1 13 . 1 1 372 372 TYR N N 372 122.933 122.933 124.090 -1.157 17812 4723 1 13 . 1 1 372 372 TYR HA H 372 5.217 5.217 4.159 1.058 17812 4724 1 13 . 1 1 372 372 TYR C C 372 173.821 173.821 174.848 -1.027 17812 4725 1 13 . 1 1 372 372 TYR CA C 372 54.963 54.963 56.017 -1.054 17812 4726 1 13 . 1 1 372 372 TYR CB C 372 41.593 41.593 40.512 1.081 17812 4727 1 13 . 1 1 372 372 TYR H H 372 6.907 6.907 7.772 -0.865 17812 4728 1 13 . 1 1 373 373 CYS N N 373 127.647 127.647 122.351 5.296 17812 4729 1 13 . 1 1 373 373 CYS HA H 373 3.530 3.530 4.067 -0.537 17812 4730 1 13 . 1 1 373 373 CYS CA C 373 57.539 57.539 55.593 1.946 17812 4731 1 13 . 1 1 373 373 CYS CB C 373 30.549 30.549 27.091 3.458 17812 4732 1 13 . 1 1 373 373 CYS H H 373 9.310 9.310 8.294 1.016 17812 4733 1 13 . 1 1 374 374 PRO HA H 374 3.987 3.987 4.075 -0.088 17812 4734 1 13 . 1 1 374 374 PRO C C 374 178.008 178.008 178.592 -0.584 17812 4735 1 13 . 1 1 374 374 PRO CA C 374 65.504 65.504 65.503 0.001 17812 4736 1 13 . 1 1 374 374 PRO CB C 374 32.293 32.293 31.932 0.361 17812 4737 1 13 . 1 1 375 375 GLU N N 375 116.759 116.759 119.007 -2.248 17812 4738 1 13 . 1 1 375 375 GLU HA H 375 4.237 4.237 4.287 -0.050 17812 4739 1 13 . 1 1 375 375 GLU C C 375 177.054 177.054 177.962 -0.908 17812 4740 1 13 . 1 1 375 375 GLU CA C 375 58.479 58.479 58.982 -0.503 17812 4741 1 13 . 1 1 375 375 GLU CB C 375 30.939 30.939 29.349 1.590 17812 4742 1 13 . 1 1 375 375 GLU H H 375 8.111 8.111 8.798 -0.687 17812 4743 1 13 . 1 1 376 376 CYS N N 376 122.642 122.642 115.467 7.175 17812 4744 1 13 . 1 1 376 376 CYS HA H 376 4.055 4.055 4.326 -0.271 17812 4745 1 13 . 1 1 376 376 CYS CA C 376 62.498 62.498 59.751 2.747 17812 4746 1 13 . 1 1 376 376 CYS CB C 376 31.379 31.379 26.102 5.277 17812 4747 1 13 . 1 1 376 376 CYS H H 376 8.075 8.075 7.573 0.502 17812 4748 1 13 . 1 1 377 377 ARG N N 377 117.680 117.680 121.340 -3.660 17812 4749 1 13 . 1 1 377 377 ARG HA H 377 3.948 3.948 4.059 -0.111 17812 4750 1 13 . 1 1 377 377 ARG C C 377 56.425 56.425 177.916 -121.491 17812 4751 1 13 . 1 1 377 377 ARG CB C 377 30.678 30.678 29.091 1.587 17812 4752 1 13 . 1 1 377 377 ARG H H 377 7.856 7.856 7.874 -0.018 17812 4753 1 13 . 1 1 378 378 ASN N N 378 119.726 119.726 116.306 3.420 17812 4754 1 13 . 1 1 378 378 ASN HA H 378 4.695 4.695 4.463 0.232 17812 4755 1 13 . 1 1 378 378 ASN C C 378 173.554 173.554 175.505 -1.951 17812 4756 1 13 . 1 1 378 378 ASN CA C 378 53.204 53.204 54.723 -1.519 17812 4757 1 13 . 1 1 378 378 ASN CB C 378 39.516 39.516 38.587 0.929 17812 4758 1 13 . 1 1 378 378 ASN H H 378 8.189 8.189 7.716 0.473 17812 4759 1 14 . 1 1 312 312 GLY N N 312 110.352 110.352 111.131 -0.779 17812 4760 1 14 . 1 1 312 312 GLY CA C 312 44.546 44.546 44.666 -0.120 17812 4761 1 14 . 1 1 312 312 GLY H H 312 7.809 7.809 8.340 -0.531 17812 4762 1 14 . 1 1 313 313 PRO HA H 313 4.433 4.433 4.545 -0.112 17812 4763 1 14 . 1 1 313 313 PRO CA C 313 62.527 62.527 62.509 0.018 17812 4764 1 14 . 1 1 313 313 PRO CB C 313 31.680 31.680 32.590 -0.910 17812 4765 1 14 . 1 1 314 314 SER N N 314 120.711 120.711 114.969 5.742 17812 4766 1 14 . 1 1 314 314 SER HA H 314 4.331 4.331 4.187 0.144 17812 4767 1 14 . 1 1 314 314 SER C C 314 174.789 174.789 174.618 0.171 17812 4768 1 14 . 1 1 314 314 SER CA C 314 60.627 60.627 59.758 0.869 17812 4769 1 14 . 1 1 314 314 SER CB C 314 63.925 63.925 63.363 0.562 17812 4770 1 14 . 1 1 314 314 SER H H 314 10.435 10.435 8.288 2.147 17812 4771 1 14 . 1 1 315 315 CYS N N 315 125.240 125.240 121.409 3.831 17812 4772 1 14 . 1 1 315 315 CYS HA H 315 4.698 4.698 4.672 0.026 17812 4773 1 14 . 1 1 315 315 CYS C C 315 176.852 176.852 174.016 2.836 17812 4774 1 14 . 1 1 315 315 CYS CA C 315 58.281 58.281 58.034 0.247 17812 4775 1 14 . 1 1 315 315 CYS CB C 315 32.487 32.487 28.153 4.334 17812 4776 1 14 . 1 1 315 315 CYS H H 315 9.159 9.159 7.939 1.220 17812 4777 1 14 . 1 1 316 316 LYS N N 316 127.250 127.250 124.600 2.650 17812 4778 1 14 . 1 1 316 316 LYS HA H 316 4.005 4.005 4.300 -0.295 17812 4779 1 14 . 1 1 316 316 LYS C C 316 176.341 176.341 177.056 -0.715 17812 4780 1 14 . 1 1 316 316 LYS CA C 316 58.026 58.026 56.349 1.677 17812 4781 1 14 . 1 1 316 316 LYS CB C 316 32.116 32.116 32.890 -0.774 17812 4782 1 14 . 1 1 316 316 LYS H H 316 8.951 8.951 8.316 0.635 17812 4783 1 14 . 1 1 317 317 HIS N N 317 121.622 121.622 117.756 3.866 17812 4784 1 14 . 1 1 317 317 HIS HA H 317 4.367 4.367 4.490 -0.123 17812 4785 1 14 . 1 1 317 317 HIS C C 317 176.348 176.348 176.662 -0.314 17812 4786 1 14 . 1 1 317 317 HIS CA C 317 59.351 59.351 58.300 1.051 17812 4787 1 14 . 1 1 317 317 HIS CB C 317 31.034 31.034 29.964 1.070 17812 4788 1 14 . 1 1 317 317 HIS H H 317 8.882 8.882 7.930 0.952 17812 4789 1 14 . 1 1 318 318 CYS N N 318 115.222 115.222 116.008 -0.786 17812 4790 1 14 . 1 1 318 318 CYS HA H 318 4.839 4.839 4.819 0.020 17812 4791 1 14 . 1 1 318 318 CYS C C 318 176.909 176.909 175.172 1.737 17812 4792 1 14 . 1 1 318 318 CYS CA C 318 58.040 58.040 57.171 0.869 17812 4793 1 14 . 1 1 318 318 CYS CB C 318 31.925 31.925 28.010 3.915 17812 4794 1 14 . 1 1 318 318 CYS H H 318 8.081 8.081 8.326 -0.245 17812 4795 1 14 . 1 1 319 319 LYS N N 319 119.827 119.827 121.352 -1.525 17812 4796 1 14 . 1 1 319 319 LYS HA H 319 3.886 3.886 3.925 -0.039 17812 4797 1 14 . 1 1 319 319 LYS C C 319 174.670 174.670 177.909 -3.239 17812 4798 1 14 . 1 1 319 319 LYS CA C 319 57.728 57.728 59.872 -2.144 17812 4799 1 14 . 1 1 319 319 LYS CB C 319 28.902 28.902 32.223 -3.321 17812 4800 1 14 . 1 1 319 319 LYS H H 319 7.895 7.895 7.909 -0.014 17812 4801 1 14 . 1 1 320 320 ASP N N 320 117.610 117.610 117.209 0.401 17812 4802 1 14 . 1 1 320 320 ASP HA H 320 4.206 4.206 4.450 -0.244 17812 4803 1 14 . 1 1 320 320 ASP C C 320 174.861 174.861 176.815 -1.954 17812 4804 1 14 . 1 1 320 320 ASP CA C 320 54.551 54.551 56.397 -1.846 17812 4805 1 14 . 1 1 320 320 ASP CB C 320 38.354 38.354 40.406 -2.052 17812 4806 1 14 . 1 1 320 320 ASP H H 320 8.873 8.873 8.579 0.294 17812 4807 1 14 . 1 1 321 321 ASP N N 321 118.813 118.813 119.729 -0.916 17812 4808 1 14 . 1 1 321 321 ASP HA H 321 4.595 4.595 4.828 -0.233 17812 4809 1 14 . 1 1 321 321 ASP C C 321 176.386 176.386 176.723 -0.337 17812 4810 1 14 . 1 1 321 321 ASP CA C 321 53.781 53.781 53.228 0.553 17812 4811 1 14 . 1 1 321 321 ASP CB C 321 40.782 40.782 40.295 0.486 17812 4812 1 14 . 1 1 321 321 ASP H H 321 7.212 7.212 7.486 -0.274 17812 4813 1 14 . 1 1 322 322 VAL N N 322 122.228 122.228 120.283 1.945 17812 4814 1 14 . 1 1 322 322 VAL HA H 322 3.866 3.866 3.683 0.183 17812 4815 1 14 . 1 1 322 322 VAL CA C 322 63.885 63.885 65.189 -1.304 17812 4816 1 14 . 1 1 322 322 VAL CB C 322 31.385 31.385 31.672 -0.287 17812 4817 1 14 . 1 1 322 322 VAL H H 322 8.060 8.060 7.773 0.287 17812 4818 1 14 . 1 1 323 323 ASN N N 323 117.787 117.787 115.449 2.338 17812 4819 1 14 . 1 1 323 323 ASN HA H 323 4.710 4.710 4.528 0.182 17812 4820 1 14 . 1 1 323 323 ASN CA C 323 54.065 54.065 54.133 -0.068 17812 4821 1 14 . 1 1 323 323 ASN CB C 323 38.876 38.876 38.380 0.496 17812 4822 1 14 . 1 1 323 323 ASN H H 323 8.486 8.486 8.476 0.010 17812 4823 1 14 . 1 1 324 324 ARG N N 324 120.106 120.106 120.253 -0.147 17812 4824 1 14 . 1 1 324 324 ARG HA H 324 4.632 4.632 4.297 0.335 17812 4825 1 14 . 1 1 324 324 ARG C C 324 175.881 175.881 175.255 0.626 17812 4826 1 14 . 1 1 324 324 ARG CA C 324 54.488 54.488 55.688 -1.200 17812 4827 1 14 . 1 1 324 324 ARG CB C 324 32.709 32.709 31.154 1.555 17812 4828 1 14 . 1 1 324 324 ARG H H 324 7.955 7.955 7.537 0.418 17812 4829 1 14 . 1 1 325 325 LEU N N 325 123.983 123.983 121.951 2.032 17812 4830 1 14 . 1 1 325 325 LEU HA H 325 4.422 4.422 4.459 -0.037 17812 4831 1 14 . 1 1 325 325 LEU C C 325 177.647 177.647 176.835 0.812 17812 4832 1 14 . 1 1 325 325 LEU CA C 325 54.910 54.910 55.063 -0.153 17812 4833 1 14 . 1 1 325 325 LEU CB C 325 42.720 42.720 43.082 -0.362 17812 4834 1 14 . 1 1 325 325 LEU H H 325 8.423 8.423 8.171 0.252 17812 4835 1 14 . 1 1 326 326 CYS N N 326 123.693 123.693 124.751 -1.058 17812 4836 1 14 . 1 1 326 326 CYS HA H 326 4.474 4.474 4.818 -0.344 17812 4837 1 14 . 1 1 326 326 CYS C C 326 174.472 174.472 175.802 -1.330 17812 4838 1 14 . 1 1 326 326 CYS CA C 326 60.503 60.503 57.264 3.239 17812 4839 1 14 . 1 1 326 326 CYS CB C 326 32.551 32.551 30.434 2.117 17812 4840 1 14 . 1 1 326 326 CYS H H 326 9.277 9.277 8.567 0.710 17812 4841 1 14 . 1 1 327 327 ARG N N 327 126.881 126.881 124.504 2.377 17812 4842 1 14 . 1 1 327 327 ARG HA H 327 4.579 4.579 4.091 0.488 17812 4843 1 14 . 1 1 327 327 ARG C C 327 175.128 175.128 177.812 -2.684 17812 4844 1 14 . 1 1 327 327 ARG CA C 327 56.522 56.522 58.716 -2.194 17812 4845 1 14 . 1 1 327 327 ARG CB C 327 29.116 29.116 30.174 -1.058 17812 4846 1 14 . 1 1 327 327 ARG H H 327 8.880 8.880 8.755 0.125 17812 4847 1 14 . 1 1 328 328 VAL N N 328 123.112 123.112 118.062 5.050 17812 4848 1 14 . 1 1 328 328 VAL HA H 328 4.139 4.139 3.798 0.341 17812 4849 1 14 . 1 1 328 328 VAL C C 328 176.618 176.618 176.824 -0.206 17812 4850 1 14 . 1 1 328 328 VAL CA C 328 65.790 65.790 65.176 0.614 17812 4851 1 14 . 1 1 328 328 VAL CB C 328 32.296 32.296 31.841 0.455 17812 4852 1 14 . 1 1 328 328 VAL H H 328 9.058 9.058 7.878 1.180 17812 4853 1 14 . 1 1 329 329 CYS N N 329 117.822 117.822 116.679 1.143 17812 4854 1 14 . 1 1 329 329 CYS HA H 329 4.975 4.975 4.765 0.210 17812 4855 1 14 . 1 1 329 329 CYS C C 329 174.466 174.466 173.427 1.039 17812 4856 1 14 . 1 1 329 329 CYS CA C 329 58.446 58.446 56.428 2.018 17812 4857 1 14 . 1 1 329 329 CYS CB C 329 31.850 31.850 25.802 6.048 17812 4858 1 14 . 1 1 329 329 CYS H H 329 8.372 8.372 7.670 0.702 17812 4859 1 14 . 1 1 330 330 ALA N N 330 130.671 130.671 124.532 6.139 17812 4860 1 14 . 1 1 330 330 ALA HA H 330 4.575 4.575 4.465 0.110 17812 4861 1 14 . 1 1 330 330 ALA C C 330 175.000 175.000 175.226 -0.226 17812 4862 1 14 . 1 1 330 330 ALA CA C 330 50.393 50.393 51.068 -0.675 17812 4863 1 14 . 1 1 330 330 ALA CB C 330 19.244 19.244 20.842 -1.598 17812 4864 1 14 . 1 1 330 330 ALA H H 330 7.030 7.030 7.522 -0.492 17812 4865 1 14 . 1 1 331 331 CYS N N 331 118.585 118.585 120.327 -1.742 17812 4866 1 14 . 1 1 331 331 CYS HA H 331 3.587 3.587 4.599 -1.012 17812 4867 1 14 . 1 1 331 331 CYS C C 331 177.953 177.953 176.001 1.952 17812 4868 1 14 . 1 1 331 331 CYS CA C 331 60.241 60.241 60.353 -0.112 17812 4869 1 14 . 1 1 331 331 CYS CB C 331 30.524 30.524 27.915 2.609 17812 4870 1 14 . 1 1 331 331 CYS H H 331 7.081 7.081 8.670 -1.589 17812 4871 1 14 . 1 1 332 332 HIS N N 332 127.546 127.546 127.212 0.334 17812 4872 1 14 . 1 1 332 332 HIS HA H 332 4.752 4.752 4.254 0.498 17812 4873 1 14 . 1 1 332 332 HIS C C 332 174.236 174.236 174.441 -0.205 17812 4874 1 14 . 1 1 332 332 HIS CA C 332 56.287 56.287 58.403 -2.116 17812 4875 1 14 . 1 1 332 332 HIS CB C 332 28.769 28.769 29.910 -1.141 17812 4876 1 14 . 1 1 332 332 HIS H H 332 9.757 9.757 8.890 0.867 17812 4877 1 14 . 1 1 333 333 LEU N N 333 118.061 118.061 118.717 -0.656 17812 4878 1 14 . 1 1 333 333 LEU HA H 333 4.580 4.580 4.250 0.330 17812 4879 1 14 . 1 1 333 333 LEU C C 333 177.564 177.564 177.559 0.005 17812 4880 1 14 . 1 1 333 333 LEU CA C 333 56.046 56.046 53.729 2.317 17812 4881 1 14 . 1 1 333 333 LEU CB C 333 42.986 42.986 42.831 0.155 17812 4882 1 14 . 1 1 333 333 LEU H H 333 8.773 8.773 7.880 0.893 17812 4883 1 14 . 1 1 334 334 CYS N N 334 118.393 118.393 120.570 -2.177 17812 4884 1 14 . 1 1 334 334 CYS HA H 334 5.084 5.084 4.168 0.916 17812 4885 1 14 . 1 1 334 334 CYS C C 334 176.736 176.736 175.922 0.814 17812 4886 1 14 . 1 1 334 334 CYS CA C 334 58.973 58.973 59.621 -0.648 17812 4887 1 14 . 1 1 334 334 CYS CB C 334 32.481 32.481 26.274 6.207 17812 4888 1 14 . 1 1 334 334 CYS H H 334 8.310 8.310 9.258 -0.948 17812 4889 1 14 . 1 1 335 335 GLY N N 335 115.992 115.992 112.794 3.198 17812 4890 1 14 . 1 1 335 335 GLY C C 335 172.059 172.059 175.205 -3.146 17812 4891 1 14 . 1 1 335 335 GLY CA C 335 45.652 45.652 45.351 0.301 17812 4892 1 14 . 1 1 335 335 GLY H H 335 8.596 8.596 8.206 0.390 17812 4893 1 14 . 1 1 336 336 GLY N N 336 111.360 111.360 106.858 4.502 17812 4894 1 14 . 1 1 336 336 GLY C C 336 174.101 174.101 173.909 0.192 17812 4895 1 14 . 1 1 336 336 GLY CA C 336 44.987 44.987 43.837 1.150 17812 4896 1 14 . 1 1 336 336 GLY H H 336 9.594 9.594 8.127 1.467 17812 4897 1 14 . 1 1 337 337 ARG N N 337 118.859 118.859 118.324 0.535 17812 4898 1 14 . 1 1 337 337 ARG HA H 337 4.413 4.413 4.488 -0.075 17812 4899 1 14 . 1 1 337 337 ARG C C 337 177.635 177.635 175.596 2.039 17812 4900 1 14 . 1 1 337 337 ARG CA C 337 55.364 55.364 55.320 0.044 17812 4901 1 14 . 1 1 337 337 ARG CB C 337 31.337 31.337 30.884 0.453 17812 4902 1 14 . 1 1 337 337 ARG H H 337 8.827 8.827 8.618 0.209 17812 4903 1 14 . 1 1 338 338 GLN N N 338 120.950 120.950 120.087 0.863 17812 4904 1 14 . 1 1 338 338 GLN HA H 338 4.376 4.376 4.284 0.092 17812 4905 1 14 . 1 1 338 338 GLN C C 338 176.420 176.420 174.934 1.486 17812 4906 1 14 . 1 1 338 338 GLN CA C 338 55.694 55.694 56.399 -0.705 17812 4907 1 14 . 1 1 338 338 GLN CB C 338 28.096 28.096 29.183 -1.087 17812 4908 1 14 . 1 1 338 338 GLN H H 338 9.568 9.568 8.079 1.489 17812 4909 1 14 . 1 1 339 339 ASP N N 339 117.880 117.880 121.631 -3.751 17812 4910 1 14 . 1 1 339 339 ASP HA H 339 4.625 4.625 4.377 0.248 17812 4911 1 14 . 1 1 339 339 ASP CA C 339 55.283 55.283 54.600 0.683 17812 4912 1 14 . 1 1 339 339 ASP CB C 339 41.092 41.092 39.578 1.514 17812 4913 1 14 . 1 1 339 339 ASP H H 339 9.681 9.681 8.743 0.938 17812 4914 1 14 . 1 1 340 340 PRO HA H 340 4.140 4.140 3.893 0.247 17812 4915 1 14 . 1 1 340 340 PRO C C 340 177.463 177.463 177.985 -0.522 17812 4916 1 14 . 1 1 340 340 PRO CA C 340 65.883 65.883 64.670 1.213 17812 4917 1 14 . 1 1 340 340 PRO CB C 340 30.045 30.045 31.877 -1.832 17812 4918 1 14 . 1 1 341 341 ASP N N 341 115.117 115.117 115.113 0.004 17812 4919 1 14 . 1 1 341 341 ASP HA H 341 4.642 4.642 4.356 0.286 17812 4920 1 14 . 1 1 341 341 ASP C C 341 175.663 175.663 176.689 -1.026 17812 4921 1 14 . 1 1 341 341 ASP CA C 341 54.735 54.735 56.270 -1.535 17812 4922 1 14 . 1 1 341 341 ASP CB C 341 39.135 39.135 39.519 -0.384 17812 4923 1 14 . 1 1 341 341 ASP H H 341 9.176 9.176 8.624 0.552 17812 4924 1 14 . 1 1 342 342 LYS N N 342 117.582 117.582 117.408 0.174 17812 4925 1 14 . 1 1 342 342 LYS HA H 342 4.351 4.351 4.207 0.144 17812 4926 1 14 . 1 1 342 342 LYS CA C 342 54.496 54.496 55.948 -1.452 17812 4927 1 14 . 1 1 342 342 LYS CB C 342 33.968 33.968 32.969 0.999 17812 4928 1 14 . 1 1 342 342 LYS H H 342 8.056 8.056 7.454 0.602 17812 4929 1 14 . 1 1 343 343 GLN N N 343 119.535 119.535 120.052 -0.517 17812 4930 1 14 . 1 1 343 343 GLN HA H 343 4.510 4.510 3.961 0.549 17812 4931 1 14 . 1 1 343 343 GLN C C 343 175.176 175.176 174.833 0.343 17812 4932 1 14 . 1 1 343 343 GLN CA C 343 54.652 54.652 55.754 -1.102 17812 4933 1 14 . 1 1 343 343 GLN CB C 343 29.270 29.270 28.777 0.493 17812 4934 1 14 . 1 1 343 343 GLN H H 343 7.174 7.174 7.119 0.055 17812 4935 1 14 . 1 1 344 344 LEU N N 344 124.836 124.836 127.835 -2.999 17812 4936 1 14 . 1 1 344 344 LEU HA H 344 4.307 4.307 4.567 -0.260 17812 4937 1 14 . 1 1 344 344 LEU CA C 344 53.564 53.564 54.256 -0.692 17812 4938 1 14 . 1 1 344 344 LEU CB C 344 44.381 44.381 44.553 -0.172 17812 4939 1 14 . 1 1 344 344 LEU H H 344 8.215 8.215 8.545 -0.330 17812 4940 1 14 . 1 1 345 345 MET N N 345 119.349 119.349 122.775 -3.426 17812 4941 1 14 . 1 1 345 345 MET HA H 345 5.433 5.433 5.370 0.063 17812 4942 1 14 . 1 1 345 345 MET C C 345 175.462 175.462 175.604 -0.142 17812 4943 1 14 . 1 1 345 345 MET CA C 345 52.877 52.877 53.950 -1.073 17812 4944 1 14 . 1 1 345 345 MET CB C 345 32.312 32.312 35.489 -3.177 17812 4945 1 14 . 1 1 345 345 MET H H 345 8.086 8.086 8.177 -0.091 17812 4946 1 14 . 1 1 346 346 CYS N N 346 124.792 124.792 125.090 -0.298 17812 4947 1 14 . 1 1 346 346 CYS HA H 346 4.751 4.751 4.648 0.103 17812 4948 1 14 . 1 1 346 346 CYS C C 346 177.998 177.998 176.105 1.893 17812 4949 1 14 . 1 1 346 346 CYS CA C 346 60.088 60.088 58.761 1.327 17812 4950 1 14 . 1 1 346 346 CYS CB C 346 32.345 32.345 28.998 3.347 17812 4951 1 14 . 1 1 346 346 CYS H H 346 9.088 9.088 9.191 -0.103 17812 4952 1 14 . 1 1 347 347 ASP N N 347 129.440 129.440 128.389 1.051 17812 4953 1 14 . 1 1 347 347 ASP HA H 347 4.624 4.624 4.659 -0.035 17812 4954 1 14 . 1 1 347 347 ASP C C 347 174.755 174.755 177.781 -3.026 17812 4955 1 14 . 1 1 347 347 ASP CA C 347 57.932 57.932 56.610 1.322 17812 4956 1 14 . 1 1 347 347 ASP CB C 347 41.115 41.115 40.878 0.237 17812 4957 1 14 . 1 1 347 347 ASP H H 347 9.154 9.154 8.844 0.310 17812 4958 1 14 . 1 1 348 348 GLU N N 348 124.253 124.253 118.221 6.032 17812 4959 1 14 . 1 1 348 348 GLU HA H 348 4.895 4.895 4.228 0.667 17812 4960 1 14 . 1 1 348 348 GLU C C 348 176.439 176.439 177.474 -1.035 17812 4961 1 14 . 1 1 348 348 GLU CA C 348 58.673 58.673 58.562 0.111 17812 4962 1 14 . 1 1 348 348 GLU CB C 348 30.510 30.510 30.103 0.407 17812 4963 1 14 . 1 1 348 348 GLU H H 348 9.615 9.615 8.707 0.908 17812 4964 1 14 . 1 1 349 349 CYS N N 349 119.153 119.153 116.535 2.618 17812 4965 1 14 . 1 1 349 349 CYS HA H 349 4.778 4.778 4.693 0.085 17812 4966 1 14 . 1 1 349 349 CYS CA C 349 60.216 60.216 59.138 1.078 17812 4967 1 14 . 1 1 349 349 CYS CB C 349 32.008 32.008 28.485 3.523 17812 4968 1 14 . 1 1 349 349 CYS H H 349 8.522 8.522 7.672 0.850 17812 4969 1 14 . 1 1 350 350 ASP N N 350 115.218 115.218 118.346 -3.128 17812 4970 1 14 . 1 1 350 350 ASP HA H 350 4.492 4.492 4.401 0.091 17812 4971 1 14 . 1 1 350 350 ASP CA C 350 55.086 55.086 55.687 -0.601 17812 4972 1 14 . 1 1 350 350 ASP CB C 350 41.386 41.386 38.370 3.016 17812 4973 1 14 . 1 1 350 350 ASP H H 350 7.813 7.813 8.778 -0.965 17812 4974 1 14 . 1 1 351 351 MET N N 351 117.029 117.029 116.747 0.282 17812 4975 1 14 . 1 1 351 351 MET HA H 351 4.520 4.520 4.729 -0.209 17812 4976 1 14 . 1 1 351 351 MET C C 351 173.497 173.497 174.700 -1.203 17812 4977 1 14 . 1 1 351 351 MET CA C 351 54.706 54.706 54.127 0.579 17812 4978 1 14 . 1 1 351 351 MET CB C 351 34.605 34.605 36.968 -2.363 17812 4979 1 14 . 1 1 351 351 MET H H 351 8.162 8.162 7.619 0.543 17812 4980 1 14 . 1 1 352 352 ALA N N 352 123.068 123.068 122.919 0.149 17812 4981 1 14 . 1 1 352 352 ALA HA H 352 5.528 5.528 5.048 0.480 17812 4982 1 14 . 1 1 352 352 ALA C C 352 177.545 177.545 176.430 1.115 17812 4983 1 14 . 1 1 352 352 ALA CA C 352 49.943 49.943 51.471 -1.528 17812 4984 1 14 . 1 1 352 352 ALA CB C 352 22.111 22.111 20.320 1.791 17812 4985 1 14 . 1 1 352 352 ALA H H 352 8.499 8.499 8.231 0.268 17812 4986 1 14 . 1 1 353 353 PHE N N 353 116.057 116.057 119.028 -2.971 17812 4987 1 14 . 1 1 353 353 PHE HA H 353 5.106 5.106 4.906 0.200 17812 4988 1 14 . 1 1 353 353 PHE C C 353 176.868 176.868 176.684 0.184 17812 4989 1 14 . 1 1 353 353 PHE CA C 353 56.416 56.416 57.167 -0.751 17812 4990 1 14 . 1 1 353 353 PHE CB C 353 43.111 43.111 43.402 -0.291 17812 4991 1 14 . 1 1 353 353 PHE H H 353 9.164 9.164 8.256 0.908 17812 4992 1 14 . 1 1 354 354 HIS N N 354 124.053 124.053 121.680 2.373 17812 4993 1 14 . 1 1 354 354 HIS HA H 354 4.650 4.650 4.305 0.345 17812 4994 1 14 . 1 1 354 354 HIS C C 354 180.505 180.505 177.039 3.466 17812 4995 1 14 . 1 1 354 354 HIS CA C 354 58.931 58.931 56.763 2.168 17812 4996 1 14 . 1 1 354 354 HIS CB C 354 31.235 31.235 29.600 1.635 17812 4997 1 14 . 1 1 354 354 HIS H H 354 9.388 9.388 8.991 0.397 17812 4998 1 14 . 1 1 355 355 ILE N N 355 115.081 115.081 117.044 -1.963 17812 4999 1 14 . 1 1 355 355 ILE HA H 355 3.928 3.928 3.677 0.251 17812 5000 1 14 . 1 1 355 355 ILE C C 355 175.451 175.451 175.902 -0.451 17812 5001 1 14 . 1 1 355 355 ILE CA C 355 65.726 65.726 64.149 1.577 17812 5002 1 14 . 1 1 355 355 ILE CB C 355 36.292 36.292 37.060 -0.768 17812 5003 1 14 . 1 1 355 355 ILE H H 355 8.568 8.568 8.343 0.225 17812 5004 1 14 . 1 1 356 356 TYR N N 356 110.787 110.787 112.412 -1.625 17812 5005 1 14 . 1 1 356 356 TYR HA H 356 4.801 4.801 4.643 0.158 17812 5006 1 14 . 1 1 356 356 TYR C C 356 177.073 177.073 175.490 1.583 17812 5007 1 14 . 1 1 356 356 TYR CA C 356 55.362 55.362 57.480 -2.118 17812 5008 1 14 . 1 1 356 356 TYR CB C 356 36.767 36.767 38.343 -1.577 17812 5009 1 14 . 1 1 356 356 TYR H H 356 6.117 6.117 7.476 -1.359 17812 5010 1 14 . 1 1 357 357 CYS N N 357 121.584 121.584 117.782 3.802 17812 5011 1 14 . 1 1 357 357 CYS HA H 357 4.537 4.537 3.794 0.743 17812 5012 1 14 . 1 1 357 357 CYS C C 357 174.868 174.868 175.118 -0.250 17812 5013 1 14 . 1 1 357 357 CYS CA C 357 62.349 62.349 59.375 2.974 17812 5014 1 14 . 1 1 357 357 CYS CB C 357 31.087 31.087 26.327 4.760 17812 5015 1 14 . 1 1 357 357 CYS H H 357 7.603 7.603 6.889 0.714 17812 5016 1 14 . 1 1 358 358 LEU N N 358 119.134 119.134 120.816 -1.682 17812 5017 1 14 . 1 1 358 358 LEU HA H 358 4.040 4.040 4.267 -0.227 17812 5018 1 14 . 1 1 358 358 LEU CA C 358 55.465 55.465 55.034 0.431 17812 5019 1 14 . 1 1 358 358 LEU CB C 358 44.020 44.020 42.236 1.784 17812 5020 1 14 . 1 1 358 358 LEU H H 358 6.387 6.387 7.299 -0.912 17812 5021 1 14 . 1 1 359 359 ASP N N 359 117.020 117.020 121.830 -4.810 17812 5022 1 14 . 1 1 359 359 ASP HA H 359 4.985 4.985 4.498 0.487 17812 5023 1 14 . 1 1 359 359 ASP CA C 359 50.354 50.354 56.038 -5.684 17812 5024 1 14 . 1 1 359 359 ASP CB C 359 43.465 43.465 39.690 3.776 17812 5025 1 14 . 1 1 359 359 ASP H H 359 8.167 8.167 8.580 -0.413 17812 5026 1 14 . 1 1 360 360 PRO HA H 360 5.202 5.202 4.503 0.699 17812 5027 1 14 . 1 1 360 360 PRO CA C 360 62.131 62.131 61.710 0.421 17812 5028 1 14 . 1 1 360 360 PRO CB C 360 33.173 33.173 31.504 1.669 17812 5029 1 14 . 1 1 361 361 PRO HA H 361 4.462 4.462 4.488 -0.026 17812 5030 1 14 . 1 1 361 361 PRO C C 361 177.733 177.733 177.373 0.360 17812 5031 1 14 . 1 1 361 361 PRO CA C 361 63.068 63.068 61.761 1.307 17812 5032 1 14 . 1 1 361 361 PRO CB C 361 32.301 32.301 32.989 -0.688 17812 5033 1 14 . 1 1 362 362 LEU N N 362 121.043 121.043 120.967 0.076 17812 5034 1 14 . 1 1 362 362 LEU HA H 362 4.761 4.761 4.433 0.328 17812 5035 1 14 . 1 1 362 362 LEU C C 362 177.392 177.392 178.851 -1.459 17812 5036 1 14 . 1 1 362 362 LEU CA C 362 53.621 53.621 54.891 -1.270 17812 5037 1 14 . 1 1 362 362 LEU CB C 362 43.759 43.759 42.236 1.523 17812 5038 1 14 . 1 1 362 362 LEU H H 362 7.798 7.798 8.459 -0.661 17812 5039 1 14 . 1 1 363 363 SER N N 363 115.324 115.324 117.553 -2.229 17812 5040 1 14 . 1 1 363 363 SER HA H 363 4.377 4.377 4.298 0.079 17812 5041 1 14 . 1 1 363 363 SER C C 363 174.070 174.070 174.686 -0.616 17812 5042 1 14 . 1 1 363 363 SER CA C 363 59.341 59.341 60.331 -0.990 17812 5043 1 14 . 1 1 363 363 SER CB C 363 63.871 63.871 63.410 0.461 17812 5044 1 14 . 1 1 363 363 SER H H 363 8.899 8.899 8.686 0.213 17812 5045 1 14 . 1 1 364 364 SER N N 364 112.898 112.898 114.990 -2.092 17812 5046 1 14 . 1 1 364 364 SER HA H 364 4.451 4.451 4.510 -0.059 17812 5047 1 14 . 1 1 364 364 SER C C 364 173.066 173.066 173.066 0.000 17812 5048 1 14 . 1 1 364 364 SER CA C 364 56.852 56.852 57.744 -0.892 17812 5049 1 14 . 1 1 364 364 SER CB C 364 65.197 65.197 63.607 1.590 17812 5050 1 14 . 1 1 364 364 SER H H 364 7.460 7.460 7.646 -0.186 17812 5051 1 14 . 1 1 365 365 VAL N N 365 123.433 123.433 125.333 -1.900 17812 5052 1 14 . 1 1 365 365 VAL HA H 365 3.820 3.820 4.356 -0.536 17812 5053 1 14 . 1 1 365 365 VAL CA C 365 61.613 61.613 58.956 2.657 17812 5054 1 14 . 1 1 365 365 VAL CB C 365 32.428 32.428 32.368 0.060 17812 5055 1 14 . 1 1 365 365 VAL H H 365 8.695 8.695 8.361 0.334 17812 5056 1 14 . 1 1 366 366 PRO HA H 366 4.457 4.457 4.618 -0.161 17812 5057 1 14 . 1 1 366 366 PRO C C 366 175.679 175.679 176.289 -0.610 17812 5058 1 14 . 1 1 366 366 PRO CA C 366 63.224 63.224 62.959 0.265 17812 5059 1 14 . 1 1 366 366 PRO CB C 366 32.526 32.526 32.640 -0.114 17812 5060 1 14 . 1 1 367 367 SER N N 367 116.079 116.079 118.319 -2.240 17812 5061 1 14 . 1 1 367 367 SER HA H 367 4.456 4.456 4.452 0.004 17812 5062 1 14 . 1 1 367 367 SER C C 367 174.796 174.796 175.932 -1.136 17812 5063 1 14 . 1 1 367 367 SER CA C 367 58.855 58.855 59.535 -0.680 17812 5064 1 14 . 1 1 367 367 SER CB C 367 64.091 64.091 64.251 -0.160 17812 5065 1 14 . 1 1 367 367 SER H H 367 8.648 8.648 8.588 0.060 17812 5066 1 14 . 1 1 368 368 GLU N N 368 122.642 122.642 120.907 1.735 17812 5067 1 14 . 1 1 368 368 GLU HA H 368 4.275 4.275 4.227 0.048 17812 5068 1 14 . 1 1 368 368 GLU CA C 368 57.631 57.631 57.555 0.076 17812 5069 1 14 . 1 1 368 368 GLU CB C 368 30.124 30.124 30.073 0.051 17812 5070 1 14 . 1 1 368 368 GLU H H 368 8.629 8.629 8.565 0.064 17812 5071 1 14 . 1 1 369 369 ASP N N 369 120.686 120.686 120.347 0.339 17812 5072 1 14 . 1 1 369 369 ASP HA H 369 4.332 4.332 4.689 -0.357 17812 5073 1 14 . 1 1 369 369 ASP CA C 369 57.181 57.181 53.709 3.472 17812 5074 1 14 . 1 1 369 369 ASP CB C 369 41.404 41.404 40.809 0.595 17812 5075 1 14 . 1 1 369 369 ASP H H 369 8.614 8.614 8.129 0.485 17812 5076 1 14 . 1 1 370 370 GLU N N 370 115.631 115.631 122.166 -6.535 17812 5077 1 14 . 1 1 370 370 GLU HA H 370 4.861 4.861 4.282 0.579 17812 5078 1 14 . 1 1 370 370 GLU C C 370 175.047 175.047 175.997 -0.950 17812 5079 1 14 . 1 1 370 370 GLU CA C 370 54.687 54.687 56.700 -2.013 17812 5080 1 14 . 1 1 370 370 GLU CB C 370 32.837 32.837 30.159 2.678 17812 5081 1 14 . 1 1 370 370 GLU H H 370 7.823 7.823 8.555 -0.732 17812 5082 1 14 . 1 1 371 371 TRP N N 371 124.056 124.056 124.594 -0.538 17812 5083 1 14 . 1 1 371 371 TRP HA H 371 4.311 4.311 4.679 -0.368 17812 5084 1 14 . 1 1 371 371 TRP C C 371 171.586 171.586 173.869 -2.283 17812 5085 1 14 . 1 1 371 371 TRP CA C 371 59.845 59.845 55.967 3.878 17812 5086 1 14 . 1 1 371 371 TRP CB C 371 31.317 31.317 30.469 0.848 17812 5087 1 14 . 1 1 371 371 TRP H H 371 9.205 9.205 8.539 0.666 17812 5088 1 14 . 1 1 372 372 TYR N N 372 122.933 122.933 121.793 1.140 17812 5089 1 14 . 1 1 372 372 TYR HA H 372 5.217 5.217 4.106 1.111 17812 5090 1 14 . 1 1 372 372 TYR C C 372 173.821 173.821 175.198 -1.377 17812 5091 1 14 . 1 1 372 372 TYR CA C 372 54.963 54.963 55.496 -0.533 17812 5092 1 14 . 1 1 372 372 TYR CB C 372 41.593 41.593 39.606 1.987 17812 5093 1 14 . 1 1 372 372 TYR H H 372 6.907 6.907 7.854 -0.947 17812 5094 1 14 . 1 1 373 373 CYS N N 373 127.647 127.647 120.271 7.376 17812 5095 1 14 . 1 1 373 373 CYS HA H 373 3.530 3.530 3.477 0.053 17812 5096 1 14 . 1 1 373 373 CYS CA C 373 57.539 57.539 55.045 2.494 17812 5097 1 14 . 1 1 373 373 CYS CB C 373 30.549 30.549 26.832 3.717 17812 5098 1 14 . 1 1 373 373 CYS H H 373 9.310 9.310 7.848 1.462 17812 5099 1 14 . 1 1 374 374 PRO HA H 374 3.987 3.987 4.011 -0.024 17812 5100 1 14 . 1 1 374 374 PRO C C 374 178.008 178.008 178.277 -0.269 17812 5101 1 14 . 1 1 374 374 PRO CA C 374 65.504 65.504 65.447 0.057 17812 5102 1 14 . 1 1 374 374 PRO CB C 374 32.293 32.293 31.669 0.624 17812 5103 1 14 . 1 1 375 375 GLU N N 375 116.759 116.759 116.671 0.088 17812 5104 1 14 . 1 1 375 375 GLU HA H 375 4.237 4.237 4.087 0.150 17812 5105 1 14 . 1 1 375 375 GLU C C 375 177.054 177.054 177.681 -0.627 17812 5106 1 14 . 1 1 375 375 GLU CA C 375 58.479 58.479 58.856 -0.377 17812 5107 1 14 . 1 1 375 375 GLU CB C 375 30.939 30.939 29.098 1.841 17812 5108 1 14 . 1 1 375 375 GLU H H 375 8.111 8.111 8.717 -0.606 17812 5109 1 14 . 1 1 376 376 CYS N N 376 122.642 122.642 117.243 5.399 17812 5110 1 14 . 1 1 376 376 CYS HA H 376 4.055 4.055 4.159 -0.104 17812 5111 1 14 . 1 1 376 376 CYS CA C 376 62.498 62.498 62.437 0.062 17812 5112 1 14 . 1 1 376 376 CYS CB C 376 31.379 31.379 26.754 4.625 17812 5113 1 14 . 1 1 376 376 CYS H H 376 8.075 8.075 7.423 0.652 17812 5114 1 14 . 1 1 377 377 ARG N N 377 117.680 117.680 119.745 -2.065 17812 5115 1 14 . 1 1 377 377 ARG HA H 377 3.948 3.948 4.004 -0.056 17812 5116 1 14 . 1 1 377 377 ARG C C 377 56.425 56.425 177.696 -121.271 17812 5117 1 14 . 1 1 377 377 ARG CB C 377 30.678 30.678 30.120 0.558 17812 5118 1 14 . 1 1 377 377 ARG H H 377 7.856 7.856 7.877 -0.021 17812 5119 1 14 . 1 1 378 378 ASN N N 378 119.726 119.726 116.072 3.654 17812 5120 1 14 . 1 1 378 378 ASN HA H 378 4.695 4.695 4.680 0.015 17812 5121 1 14 . 1 1 378 378 ASN C C 378 173.554 173.554 174.550 -0.996 17812 5122 1 14 . 1 1 378 378 ASN CA C 378 53.204 53.204 53.166 0.038 17812 5123 1 14 . 1 1 378 378 ASN CB C 378 39.516 39.516 38.665 0.851 17812 5124 1 14 . 1 1 378 378 ASN H H 378 8.189 8.189 7.849 0.340 17812 5125 1 15 . 1 1 312 312 GLY N N 312 110.352 110.352 109.650 0.702 17812 5126 1 15 . 1 1 312 312 GLY CA C 312 44.546 44.546 44.553 -0.007 17812 5127 1 15 . 1 1 312 312 GLY H H 312 7.809 7.809 8.213 -0.404 17812 5128 1 15 . 1 1 313 313 PRO HA H 313 4.433 4.433 4.402 0.031 17812 5129 1 15 . 1 1 313 313 PRO CA C 313 62.527 62.527 62.889 -0.362 17812 5130 1 15 . 1 1 313 313 PRO CB C 313 31.680 31.680 32.776 -1.095 17812 5131 1 15 . 1 1 314 314 SER N N 314 120.711 120.711 115.166 5.545 17812 5132 1 15 . 1 1 314 314 SER HA H 314 4.331 4.331 4.242 0.089 17812 5133 1 15 . 1 1 314 314 SER C C 314 174.789 174.789 174.510 0.279 17812 5134 1 15 . 1 1 314 314 SER CA C 314 60.627 60.627 59.939 0.688 17812 5135 1 15 . 1 1 314 314 SER CB C 314 63.925 63.925 63.561 0.364 17812 5136 1 15 . 1 1 314 314 SER H H 314 10.435 10.435 8.451 1.984 17812 5137 1 15 . 1 1 315 315 CYS N N 315 125.240 125.240 119.697 5.543 17812 5138 1 15 . 1 1 315 315 CYS HA H 315 4.698 4.698 4.658 0.040 17812 5139 1 15 . 1 1 315 315 CYS C C 315 176.852 176.852 174.782 2.070 17812 5140 1 15 . 1 1 315 315 CYS CA C 315 58.281 58.281 58.191 0.090 17812 5141 1 15 . 1 1 315 315 CYS CB C 315 32.487 32.487 27.770 4.717 17812 5142 1 15 . 1 1 315 315 CYS H H 315 9.159 9.159 7.953 1.206 17812 5143 1 15 . 1 1 316 316 LYS N N 316 127.250 127.250 125.834 1.416 17812 5144 1 15 . 1 1 316 316 LYS HA H 316 4.005 4.005 4.251 -0.246 17812 5145 1 15 . 1 1 316 316 LYS C C 316 176.341 176.341 177.003 -0.662 17812 5146 1 15 . 1 1 316 316 LYS CA C 316 58.026 58.026 57.413 0.613 17812 5147 1 15 . 1 1 316 316 LYS CB C 316 32.116 32.116 32.595 -0.479 17812 5148 1 15 . 1 1 316 316 LYS H H 316 8.951 8.951 8.621 0.330 17812 5149 1 15 . 1 1 317 317 HIS N N 317 121.622 121.622 118.806 2.816 17812 5150 1 15 . 1 1 317 317 HIS HA H 317 4.367 4.367 4.526 -0.159 17812 5151 1 15 . 1 1 317 317 HIS C C 317 176.348 176.348 176.914 -0.566 17812 5152 1 15 . 1 1 317 317 HIS CA C 317 59.351 59.351 59.077 0.275 17812 5153 1 15 . 1 1 317 317 HIS CB C 317 31.034 31.034 29.294 1.740 17812 5154 1 15 . 1 1 317 317 HIS H H 317 8.882 8.882 7.957 0.925 17812 5155 1 15 . 1 1 318 318 CYS N N 318 115.222 115.222 116.961 -1.739 17812 5156 1 15 . 1 1 318 318 CYS HA H 318 4.839 4.839 4.296 0.543 17812 5157 1 15 . 1 1 318 318 CYS C C 318 176.909 176.909 175.955 0.954 17812 5158 1 15 . 1 1 318 318 CYS CA C 318 58.040 58.040 61.720 -3.680 17812 5159 1 15 . 1 1 318 318 CYS CB C 318 31.925 31.925 26.332 5.593 17812 5160 1 15 . 1 1 318 318 CYS H H 318 8.081 8.081 7.755 0.326 17812 5161 1 15 . 1 1 319 319 LYS N N 319 119.827 119.827 118.199 1.628 17812 5162 1 15 . 1 1 319 319 LYS HA H 319 3.886 3.886 4.078 -0.192 17812 5163 1 15 . 1 1 319 319 LYS C C 319 174.670 174.670 178.448 -3.778 17812 5164 1 15 . 1 1 319 319 LYS CA C 319 57.728 57.728 59.050 -1.322 17812 5165 1 15 . 1 1 319 319 LYS CB C 319 28.902 28.902 32.192 -3.290 17812 5166 1 15 . 1 1 319 319 LYS H H 319 7.895 7.895 8.255 -0.360 17812 5167 1 15 . 1 1 320 320 ASP N N 320 117.610 117.610 118.066 -0.456 17812 5168 1 15 . 1 1 320 320 ASP HA H 320 4.206 4.206 4.478 -0.272 17812 5169 1 15 . 1 1 320 320 ASP C C 320 174.861 174.861 176.969 -2.108 17812 5170 1 15 . 1 1 320 320 ASP CA C 320 54.551 54.551 56.297 -1.746 17812 5171 1 15 . 1 1 320 320 ASP CB C 320 38.354 38.354 40.981 -2.627 17812 5172 1 15 . 1 1 320 320 ASP H H 320 8.873 8.873 7.665 1.208 17812 5173 1 15 . 1 1 321 321 ASP N N 321 118.813 118.813 118.057 0.756 17812 5174 1 15 . 1 1 321 321 ASP HA H 321 4.595 4.595 4.952 -0.357 17812 5175 1 15 . 1 1 321 321 ASP C C 321 176.386 176.386 176.245 0.141 17812 5176 1 15 . 1 1 321 321 ASP CA C 321 53.781 53.781 52.966 0.815 17812 5177 1 15 . 1 1 321 321 ASP CB C 321 40.782 40.782 40.752 0.030 17812 5178 1 15 . 1 1 321 321 ASP H H 321 7.212 7.212 7.655 -0.443 17812 5179 1 15 . 1 1 322 322 VAL N N 322 122.228 122.228 120.091 2.137 17812 5180 1 15 . 1 1 322 322 VAL HA H 322 3.866 3.866 3.709 0.157 17812 5181 1 15 . 1 1 322 322 VAL CA C 322 63.885 63.885 65.272 -1.387 17812 5182 1 15 . 1 1 322 322 VAL CB C 322 31.385 31.385 31.891 -0.506 17812 5183 1 15 . 1 1 322 322 VAL H H 322 8.060 8.060 8.142 -0.082 17812 5184 1 15 . 1 1 323 323 ASN N N 323 117.787 117.787 115.976 1.811 17812 5185 1 15 . 1 1 323 323 ASN HA H 323 4.710 4.710 4.537 0.173 17812 5186 1 15 . 1 1 323 323 ASN CA C 323 54.065 54.065 54.149 -0.084 17812 5187 1 15 . 1 1 323 323 ASN CB C 323 38.876 38.876 38.323 0.553 17812 5188 1 15 . 1 1 323 323 ASN H H 323 8.486 8.486 8.462 0.024 17812 5189 1 15 . 1 1 324 324 ARG N N 324 120.106 120.106 120.014 0.092 17812 5190 1 15 . 1 1 324 324 ARG HA H 324 4.632 4.632 4.329 0.303 17812 5191 1 15 . 1 1 324 324 ARG C C 324 175.881 175.881 175.138 0.743 17812 5192 1 15 . 1 1 324 324 ARG CA C 324 54.488 54.488 55.567 -1.079 17812 5193 1 15 . 1 1 324 324 ARG CB C 324 32.709 32.709 31.280 1.429 17812 5194 1 15 . 1 1 324 324 ARG H H 324 7.955 7.955 7.548 0.407 17812 5195 1 15 . 1 1 325 325 LEU N N 325 123.983 123.983 121.764 2.219 17812 5196 1 15 . 1 1 325 325 LEU HA H 325 4.422 4.422 4.476 -0.054 17812 5197 1 15 . 1 1 325 325 LEU C C 325 177.647 177.647 176.821 0.826 17812 5198 1 15 . 1 1 325 325 LEU CA C 325 54.910 54.910 54.962 -0.052 17812 5199 1 15 . 1 1 325 325 LEU CB C 325 42.720 42.720 43.166 -0.446 17812 5200 1 15 . 1 1 325 325 LEU H H 325 8.423 8.423 8.165 0.258 17812 5201 1 15 . 1 1 326 326 CYS N N 326 123.693 123.693 125.349 -1.656 17812 5202 1 15 . 1 1 326 326 CYS HA H 326 4.474 4.474 4.813 -0.339 17812 5203 1 15 . 1 1 326 326 CYS C C 326 174.472 174.472 175.756 -1.284 17812 5204 1 15 . 1 1 326 326 CYS CA C 326 60.503 60.503 57.318 3.185 17812 5205 1 15 . 1 1 326 326 CYS CB C 326 32.551 32.551 29.492 3.059 17812 5206 1 15 . 1 1 326 326 CYS H H 326 9.277 9.277 8.638 0.639 17812 5207 1 15 . 1 1 327 327 ARG N N 327 126.881 126.881 125.622 1.259 17812 5208 1 15 . 1 1 327 327 ARG HA H 327 4.579 4.579 4.155 0.424 17812 5209 1 15 . 1 1 327 327 ARG C C 327 175.128 175.128 177.774 -2.646 17812 5210 1 15 . 1 1 327 327 ARG CA C 327 56.522 56.522 58.457 -1.935 17812 5211 1 15 . 1 1 327 327 ARG CB C 327 29.116 29.116 30.252 -1.135 17812 5212 1 15 . 1 1 327 327 ARG H H 327 8.880 8.880 8.845 0.035 17812 5213 1 15 . 1 1 328 328 VAL N N 328 123.112 123.112 117.729 5.383 17812 5214 1 15 . 1 1 328 328 VAL HA H 328 4.139 4.139 3.770 0.369 17812 5215 1 15 . 1 1 328 328 VAL C C 328 176.618 176.618 176.805 -0.187 17812 5216 1 15 . 1 1 328 328 VAL CA C 328 65.790 65.790 64.544 1.246 17812 5217 1 15 . 1 1 328 328 VAL CB C 328 32.296 32.296 32.037 0.259 17812 5218 1 15 . 1 1 328 328 VAL H H 328 9.058 9.058 8.016 1.042 17812 5219 1 15 . 1 1 329 329 CYS N N 329 117.822 117.822 117.477 0.345 17812 5220 1 15 . 1 1 329 329 CYS HA H 329 4.975 4.975 4.731 0.244 17812 5221 1 15 . 1 1 329 329 CYS C C 329 174.466 174.466 173.578 0.888 17812 5222 1 15 . 1 1 329 329 CYS CA C 329 58.446 58.446 56.479 1.967 17812 5223 1 15 . 1 1 329 329 CYS CB C 329 31.850 31.850 25.807 6.043 17812 5224 1 15 . 1 1 329 329 CYS H H 329 8.372 8.372 7.677 0.695 17812 5225 1 15 . 1 1 330 330 ALA N N 330 130.671 130.671 124.777 5.894 17812 5226 1 15 . 1 1 330 330 ALA HA H 330 4.575 4.575 4.482 0.093 17812 5227 1 15 . 1 1 330 330 ALA C C 330 175.000 175.000 175.272 -0.272 17812 5228 1 15 . 1 1 330 330 ALA CA C 330 50.393 50.393 50.993 -0.600 17812 5229 1 15 . 1 1 330 330 ALA CB C 330 19.244 19.244 20.874 -1.630 17812 5230 1 15 . 1 1 330 330 ALA H H 330 7.030 7.030 7.515 -0.485 17812 5231 1 15 . 1 1 331 331 CYS N N 331 118.585 118.585 119.940 -1.355 17812 5232 1 15 . 1 1 331 331 CYS HA H 331 3.587 3.587 4.536 -0.949 17812 5233 1 15 . 1 1 331 331 CYS C C 331 177.953 177.953 176.707 1.246 17812 5234 1 15 . 1 1 331 331 CYS CA C 331 60.241 60.241 59.907 0.334 17812 5235 1 15 . 1 1 331 331 CYS CB C 331 30.524 30.524 27.479 3.046 17812 5236 1 15 . 1 1 331 331 CYS H H 331 7.081 7.081 8.679 -1.598 17812 5237 1 15 . 1 1 332 332 HIS N N 332 127.546 127.546 127.655 -0.109 17812 5238 1 15 . 1 1 332 332 HIS HA H 332 4.752 4.752 4.222 0.530 17812 5239 1 15 . 1 1 332 332 HIS C C 332 174.236 174.236 174.464 -0.228 17812 5240 1 15 . 1 1 332 332 HIS CA C 332 56.287 56.287 59.302 -3.015 17812 5241 1 15 . 1 1 332 332 HIS CB C 332 28.769 28.769 30.024 -1.255 17812 5242 1 15 . 1 1 332 332 HIS H H 332 9.757 9.757 8.851 0.906 17812 5243 1 15 . 1 1 333 333 LEU N N 333 118.061 118.061 117.524 0.537 17812 5244 1 15 . 1 1 333 333 LEU HA H 333 4.580 4.580 4.331 0.249 17812 5245 1 15 . 1 1 333 333 LEU C C 333 177.564 177.564 177.574 -0.010 17812 5246 1 15 . 1 1 333 333 LEU CA C 333 56.046 56.046 53.831 2.215 17812 5247 1 15 . 1 1 333 333 LEU CB C 333 42.986 42.986 43.095 -0.109 17812 5248 1 15 . 1 1 333 333 LEU H H 333 8.773 8.773 7.876 0.897 17812 5249 1 15 . 1 1 334 334 CYS N N 334 118.393 118.393 120.373 -1.980 17812 5250 1 15 . 1 1 334 334 CYS HA H 334 5.084 5.084 4.173 0.911 17812 5251 1 15 . 1 1 334 334 CYS C C 334 176.736 176.736 175.931 0.805 17812 5252 1 15 . 1 1 334 334 CYS CA C 334 58.973 58.973 59.629 -0.656 17812 5253 1 15 . 1 1 334 334 CYS CB C 334 32.481 32.481 26.267 6.214 17812 5254 1 15 . 1 1 334 334 CYS H H 334 8.310 8.310 9.249 -0.939 17812 5255 1 15 . 1 1 335 335 GLY N N 335 115.992 115.992 112.769 3.223 17812 5256 1 15 . 1 1 335 335 GLY C C 335 172.059 172.059 175.203 -3.144 17812 5257 1 15 . 1 1 335 335 GLY CA C 335 45.652 45.652 45.332 0.320 17812 5258 1 15 . 1 1 335 335 GLY H H 335 8.596 8.596 8.220 0.376 17812 5259 1 15 . 1 1 336 336 GLY N N 336 111.360 111.360 107.066 4.294 17812 5260 1 15 . 1 1 336 336 GLY C C 336 174.101 174.101 173.633 0.468 17812 5261 1 15 . 1 1 336 336 GLY CA C 336 44.987 44.987 43.818 1.169 17812 5262 1 15 . 1 1 336 336 GLY H H 336 9.594 9.594 8.138 1.456 17812 5263 1 15 . 1 1 337 337 ARG N N 337 118.859 118.859 117.997 0.862 17812 5264 1 15 . 1 1 337 337 ARG HA H 337 4.413 4.413 4.517 -0.104 17812 5265 1 15 . 1 1 337 337 ARG C C 337 177.635 177.635 175.553 2.082 17812 5266 1 15 . 1 1 337 337 ARG CA C 337 55.364 55.364 55.331 0.033 17812 5267 1 15 . 1 1 337 337 ARG CB C 337 31.337 31.337 31.075 0.262 17812 5268 1 15 . 1 1 337 337 ARG H H 337 8.827 8.827 8.644 0.183 17812 5269 1 15 . 1 1 338 338 GLN N N 338 120.950 120.950 120.441 0.509 17812 5270 1 15 . 1 1 338 338 GLN HA H 338 4.376 4.376 4.293 0.083 17812 5271 1 15 . 1 1 338 338 GLN C C 338 176.420 176.420 175.000 1.420 17812 5272 1 15 . 1 1 338 338 GLN CA C 338 55.694 55.694 56.503 -0.809 17812 5273 1 15 . 1 1 338 338 GLN CB C 338 28.096 28.096 29.168 -1.072 17812 5274 1 15 . 1 1 338 338 GLN H H 338 9.568 9.568 8.074 1.494 17812 5275 1 15 . 1 1 339 339 ASP N N 339 117.880 117.880 119.618 -1.738 17812 5276 1 15 . 1 1 339 339 ASP HA H 339 4.625 4.625 4.415 0.210 17812 5277 1 15 . 1 1 339 339 ASP CA C 339 55.283 55.283 54.416 0.867 17812 5278 1 15 . 1 1 339 339 ASP CB C 339 41.092 41.092 39.358 1.734 17812 5279 1 15 . 1 1 339 339 ASP H H 339 9.681 9.681 8.677 1.004 17812 5280 1 15 . 1 1 340 340 PRO HA H 340 4.140 4.140 3.941 0.199 17812 5281 1 15 . 1 1 340 340 PRO C C 340 177.463 177.463 177.489 -0.026 17812 5282 1 15 . 1 1 340 340 PRO CA C 340 65.883 65.883 64.862 1.022 17812 5283 1 15 . 1 1 340 340 PRO CB C 340 30.045 30.045 31.834 -1.789 17812 5284 1 15 . 1 1 341 341 ASP N N 341 115.117 115.117 115.110 0.007 17812 5285 1 15 . 1 1 341 341 ASP HA H 341 4.642 4.642 4.334 0.308 17812 5286 1 15 . 1 1 341 341 ASP C C 341 175.663 175.663 176.495 -0.832 17812 5287 1 15 . 1 1 341 341 ASP CA C 341 54.735 54.735 55.798 -1.063 17812 5288 1 15 . 1 1 341 341 ASP CB C 341 39.135 39.135 38.974 0.161 17812 5289 1 15 . 1 1 341 341 ASP H H 341 9.176 9.176 8.794 0.382 17812 5290 1 15 . 1 1 342 342 LYS N N 342 117.582 117.582 118.204 -0.622 17812 5291 1 15 . 1 1 342 342 LYS HA H 342 4.351 4.351 4.315 0.036 17812 5292 1 15 . 1 1 342 342 LYS CA C 342 54.496 54.496 55.717 -1.220 17812 5293 1 15 . 1 1 342 342 LYS CB C 342 33.968 33.968 32.400 1.568 17812 5294 1 15 . 1 1 342 342 LYS H H 342 8.056 8.056 7.440 0.616 17812 5295 1 15 . 1 1 343 343 GLN N N 343 119.535 119.535 118.406 1.129 17812 5296 1 15 . 1 1 343 343 GLN HA H 343 4.510 4.510 3.971 0.539 17812 5297 1 15 . 1 1 343 343 GLN C C 343 175.176 175.176 175.089 0.087 17812 5298 1 15 . 1 1 343 343 GLN CA C 343 54.652 54.652 55.731 -1.079 17812 5299 1 15 . 1 1 343 343 GLN CB C 343 29.270 29.270 29.119 0.151 17812 5300 1 15 . 1 1 343 343 GLN H H 343 7.174 7.174 7.032 0.142 17812 5301 1 15 . 1 1 344 344 LEU N N 344 124.836 124.836 125.959 -1.123 17812 5302 1 15 . 1 1 344 344 LEU HA H 344 4.307 4.307 4.681 -0.374 17812 5303 1 15 . 1 1 344 344 LEU CA C 344 53.564 53.564 54.175 -0.611 17812 5304 1 15 . 1 1 344 344 LEU CB C 344 44.381 44.381 44.236 0.145 17812 5305 1 15 . 1 1 344 344 LEU H H 344 8.215 8.215 8.708 -0.493 17812 5306 1 15 . 1 1 345 345 MET N N 345 119.349 119.349 123.417 -4.068 17812 5307 1 15 . 1 1 345 345 MET HA H 345 5.433 5.433 5.217 0.216 17812 5308 1 15 . 1 1 345 345 MET C C 345 175.462 175.462 175.449 0.013 17812 5309 1 15 . 1 1 345 345 MET CA C 345 52.877 52.877 54.186 -1.309 17812 5310 1 15 . 1 1 345 345 MET CB C 345 32.312 32.312 35.080 -2.768 17812 5311 1 15 . 1 1 345 345 MET H H 345 8.086 8.086 8.283 -0.197 17812 5312 1 15 . 1 1 346 346 CYS N N 346 124.792 124.792 125.105 -0.313 17812 5313 1 15 . 1 1 346 346 CYS HA H 346 4.751 4.751 4.868 -0.117 17812 5314 1 15 . 1 1 346 346 CYS C C 346 177.998 177.998 175.789 2.209 17812 5315 1 15 . 1 1 346 346 CYS CA C 346 60.088 60.088 58.219 1.869 17812 5316 1 15 . 1 1 346 346 CYS CB C 346 32.345 32.345 29.608 2.737 17812 5317 1 15 . 1 1 346 346 CYS H H 346 9.088 9.088 8.939 0.149 17812 5318 1 15 . 1 1 347 347 ASP N N 347 129.440 129.440 127.141 2.299 17812 5319 1 15 . 1 1 347 347 ASP HA H 347 4.624 4.624 4.656 -0.032 17812 5320 1 15 . 1 1 347 347 ASP C C 347 174.755 174.755 177.442 -2.687 17812 5321 1 15 . 1 1 347 347 ASP CA C 347 57.932 57.932 56.587 1.345 17812 5322 1 15 . 1 1 347 347 ASP CB C 347 41.115 41.115 40.856 0.259 17812 5323 1 15 . 1 1 347 347 ASP H H 347 9.154 9.154 8.864 0.290 17812 5324 1 15 . 1 1 348 348 GLU N N 348 124.253 124.253 117.867 6.386 17812 5325 1 15 . 1 1 348 348 GLU HA H 348 4.895 4.895 4.284 0.611 17812 5326 1 15 . 1 1 348 348 GLU C C 348 176.439 176.439 177.648 -1.209 17812 5327 1 15 . 1 1 348 348 GLU CA C 348 58.673 58.673 58.209 0.464 17812 5328 1 15 . 1 1 348 348 GLU CB C 348 30.510 30.510 29.848 0.662 17812 5329 1 15 . 1 1 348 348 GLU H H 348 9.615 9.615 8.754 0.861 17812 5330 1 15 . 1 1 349 349 CYS N N 349 119.153 119.153 116.619 2.534 17812 5331 1 15 . 1 1 349 349 CYS HA H 349 4.778 4.778 4.498 0.280 17812 5332 1 15 . 1 1 349 349 CYS CA C 349 60.216 60.216 58.586 1.630 17812 5333 1 15 . 1 1 349 349 CYS CB C 349 32.008 32.008 28.536 3.472 17812 5334 1 15 . 1 1 349 349 CYS H H 349 8.522 8.522 7.811 0.711 17812 5335 1 15 . 1 1 350 350 ASP N N 350 115.218 115.218 119.653 -4.435 17812 5336 1 15 . 1 1 350 350 ASP HA H 350 4.492 4.492 4.404 0.088 17812 5337 1 15 . 1 1 350 350 ASP CA C 350 55.086 55.086 55.524 -0.438 17812 5338 1 15 . 1 1 350 350 ASP CB C 350 41.386 41.386 38.318 3.068 17812 5339 1 15 . 1 1 350 350 ASP H H 350 7.813 7.813 8.751 -0.938 17812 5340 1 15 . 1 1 351 351 MET N N 351 117.029 117.029 116.107 0.922 17812 5341 1 15 . 1 1 351 351 MET HA H 351 4.520 4.520 4.665 -0.145 17812 5342 1 15 . 1 1 351 351 MET C C 351 173.497 173.497 174.738 -1.241 17812 5343 1 15 . 1 1 351 351 MET CA C 351 54.706 54.706 54.246 0.460 17812 5344 1 15 . 1 1 351 351 MET CB C 351 34.605 34.605 36.664 -2.059 17812 5345 1 15 . 1 1 351 351 MET H H 351 8.162 8.162 7.459 0.703 17812 5346 1 15 . 1 1 352 352 ALA N N 352 123.068 123.068 122.521 0.547 17812 5347 1 15 . 1 1 352 352 ALA HA H 352 5.528 5.528 5.340 0.188 17812 5348 1 15 . 1 1 352 352 ALA C C 352 177.545 177.545 176.310 1.235 17812 5349 1 15 . 1 1 352 352 ALA CA C 352 49.943 49.943 51.139 -1.196 17812 5350 1 15 . 1 1 352 352 ALA CB C 352 22.111 22.111 20.464 1.647 17812 5351 1 15 . 1 1 352 352 ALA H H 352 8.499 8.499 8.436 0.063 17812 5352 1 15 . 1 1 353 353 PHE N N 353 116.057 116.057 118.076 -2.019 17812 5353 1 15 . 1 1 353 353 PHE HA H 353 5.106 5.106 4.928 0.178 17812 5354 1 15 . 1 1 353 353 PHE C C 353 176.868 176.868 176.702 0.166 17812 5355 1 15 . 1 1 353 353 PHE CA C 353 56.416 56.416 57.167 -0.751 17812 5356 1 15 . 1 1 353 353 PHE CB C 353 43.111 43.111 42.979 0.132 17812 5357 1 15 . 1 1 353 353 PHE H H 353 9.164 9.164 8.216 0.948 17812 5358 1 15 . 1 1 354 354 HIS N N 354 124.053 124.053 121.311 2.742 17812 5359 1 15 . 1 1 354 354 HIS HA H 354 4.650 4.650 4.312 0.338 17812 5360 1 15 . 1 1 354 354 HIS C C 354 180.505 180.505 176.969 3.536 17812 5361 1 15 . 1 1 354 354 HIS CA C 354 58.931 58.931 56.756 2.175 17812 5362 1 15 . 1 1 354 354 HIS CB C 354 31.235 31.235 29.587 1.648 17812 5363 1 15 . 1 1 354 354 HIS H H 354 9.388 9.388 8.993 0.395 17812 5364 1 15 . 1 1 355 355 ILE N N 355 115.081 115.081 116.986 -1.905 17812 5365 1 15 . 1 1 355 355 ILE HA H 355 3.928 3.928 3.617 0.311 17812 5366 1 15 . 1 1 355 355 ILE C C 355 175.451 175.451 176.012 -0.561 17812 5367 1 15 . 1 1 355 355 ILE CA C 355 65.726 65.726 63.973 1.753 17812 5368 1 15 . 1 1 355 355 ILE CB C 355 36.292 36.292 36.891 -0.599 17812 5369 1 15 . 1 1 355 355 ILE H H 355 8.568 8.568 8.109 0.459 17812 5370 1 15 . 1 1 356 356 TYR N N 356 110.787 110.787 112.502 -1.715 17812 5371 1 15 . 1 1 356 356 TYR HA H 356 4.801 4.801 4.662 0.139 17812 5372 1 15 . 1 1 356 356 TYR C C 356 177.073 177.073 175.457 1.616 17812 5373 1 15 . 1 1 356 356 TYR CA C 356 55.362 55.362 57.388 -2.026 17812 5374 1 15 . 1 1 356 356 TYR CB C 356 36.767 36.767 38.521 -1.754 17812 5375 1 15 . 1 1 356 356 TYR H H 356 6.117 6.117 7.476 -1.359 17812 5376 1 15 . 1 1 357 357 CYS N N 357 121.584 121.584 117.899 3.685 17812 5377 1 15 . 1 1 357 357 CYS HA H 357 4.537 4.537 3.749 0.788 17812 5378 1 15 . 1 1 357 357 CYS C C 357 174.868 174.868 175.206 -0.338 17812 5379 1 15 . 1 1 357 357 CYS CA C 357 62.349 62.349 59.143 3.206 17812 5380 1 15 . 1 1 357 357 CYS CB C 357 31.087 31.087 25.954 5.133 17812 5381 1 15 . 1 1 357 357 CYS H H 357 7.603 7.603 6.741 0.862 17812 5382 1 15 . 1 1 358 358 LEU N N 358 119.134 119.134 121.018 -1.884 17812 5383 1 15 . 1 1 358 358 LEU HA H 358 4.040 4.040 4.275 -0.235 17812 5384 1 15 . 1 1 358 358 LEU CA C 358 55.465 55.465 55.098 0.367 17812 5385 1 15 . 1 1 358 358 LEU CB C 358 44.020 44.020 42.167 1.853 17812 5386 1 15 . 1 1 358 358 LEU H H 358 6.387 6.387 7.184 -0.797 17812 5387 1 15 . 1 1 359 359 ASP N N 359 117.020 117.020 121.166 -4.146 17812 5388 1 15 . 1 1 359 359 ASP HA H 359 4.985 4.985 4.470 0.515 17812 5389 1 15 . 1 1 359 359 ASP CA C 359 50.354 50.354 55.689 -5.335 17812 5390 1 15 . 1 1 359 359 ASP CB C 359 43.465 43.465 38.903 4.562 17812 5391 1 15 . 1 1 359 359 ASP H H 359 8.167 8.167 8.476 -0.309 17812 5392 1 15 . 1 1 360 360 PRO HA H 360 5.202 5.202 4.654 0.548 17812 5393 1 15 . 1 1 360 360 PRO CA C 360 62.131 62.131 61.751 0.380 17812 5394 1 15 . 1 1 360 360 PRO CB C 360 33.173 33.173 31.316 1.857 17812 5395 1 15 . 1 1 361 361 PRO HA H 361 4.462 4.462 4.518 -0.056 17812 5396 1 15 . 1 1 361 361 PRO C C 361 177.733 177.733 177.381 0.352 17812 5397 1 15 . 1 1 361 361 PRO CA C 361 63.068 63.068 62.027 1.041 17812 5398 1 15 . 1 1 361 361 PRO CB C 361 32.301 32.301 32.924 -0.623 17812 5399 1 15 . 1 1 362 362 LEU N N 362 121.043 121.043 121.378 -0.335 17812 5400 1 15 . 1 1 362 362 LEU HA H 362 4.761 4.761 4.459 0.302 17812 5401 1 15 . 1 1 362 362 LEU C C 362 177.392 177.392 178.291 -0.899 17812 5402 1 15 . 1 1 362 362 LEU CA C 362 53.621 53.621 54.770 -1.149 17812 5403 1 15 . 1 1 362 362 LEU CB C 362 43.759 43.759 42.364 1.395 17812 5404 1 15 . 1 1 362 362 LEU H H 362 7.798 7.798 8.411 -0.613 17812 5405 1 15 . 1 1 363 363 SER N N 363 115.324 115.324 116.422 -1.098 17812 5406 1 15 . 1 1 363 363 SER HA H 363 4.377 4.377 4.354 0.023 17812 5407 1 15 . 1 1 363 363 SER C C 363 174.070 174.070 174.435 -0.365 17812 5408 1 15 . 1 1 363 363 SER CA C 363 59.341 59.341 60.133 -0.791 17812 5409 1 15 . 1 1 363 363 SER CB C 363 63.871 63.871 63.529 0.342 17812 5410 1 15 . 1 1 363 363 SER H H 363 8.899 8.899 8.570 0.329 17812 5411 1 15 . 1 1 364 364 SER N N 364 112.898 112.898 114.304 -1.406 17812 5412 1 15 . 1 1 364 364 SER HA H 364 4.451 4.451 4.599 -0.148 17812 5413 1 15 . 1 1 364 364 SER C C 364 173.066 173.066 172.377 0.689 17812 5414 1 15 . 1 1 364 364 SER CA C 364 56.852 56.852 57.538 -0.686 17812 5415 1 15 . 1 1 364 364 SER CB C 364 65.197 65.197 65.025 0.172 17812 5416 1 15 . 1 1 364 364 SER H H 364 7.460 7.460 7.554 -0.094 17812 5417 1 15 . 1 1 365 365 VAL N N 365 123.433 123.433 122.968 0.465 17812 5418 1 15 . 1 1 365 365 VAL HA H 365 3.820 3.820 4.346 -0.526 17812 5419 1 15 . 1 1 365 365 VAL CA C 365 61.613 61.613 59.995 1.618 17812 5420 1 15 . 1 1 365 365 VAL CB C 365 32.428 32.428 32.718 -0.290 17812 5421 1 15 . 1 1 365 365 VAL H H 365 8.695 8.695 8.315 0.380 17812 5422 1 15 . 1 1 366 366 PRO HA H 366 4.457 4.457 4.658 -0.201 17812 5423 1 15 . 1 1 366 366 PRO C C 366 175.679 175.679 176.373 -0.694 17812 5424 1 15 . 1 1 366 366 PRO CA C 366 63.224 63.224 62.839 0.385 17812 5425 1 15 . 1 1 366 366 PRO CB C 366 32.526 32.526 32.590 -0.064 17812 5426 1 15 . 1 1 367 367 SER N N 367 116.079 116.079 118.573 -2.494 17812 5427 1 15 . 1 1 367 367 SER HA H 367 4.456 4.456 4.347 0.109 17812 5428 1 15 . 1 1 367 367 SER C C 367 174.796 174.796 175.905 -1.109 17812 5429 1 15 . 1 1 367 367 SER CA C 367 58.855 58.855 59.145 -0.290 17812 5430 1 15 . 1 1 367 367 SER CB C 367 64.091 64.091 63.926 0.165 17812 5431 1 15 . 1 1 367 367 SER H H 367 8.648 8.648 8.560 0.088 17812 5432 1 15 . 1 1 368 368 GLU N N 368 122.642 122.642 120.469 2.173 17812 5433 1 15 . 1 1 368 368 GLU HA H 368 4.275 4.275 4.234 0.041 17812 5434 1 15 . 1 1 368 368 GLU CA C 368 57.631 57.631 57.423 0.208 17812 5435 1 15 . 1 1 368 368 GLU CB C 368 30.124 30.124 29.805 0.319 17812 5436 1 15 . 1 1 368 368 GLU H H 368 8.629 8.629 8.613 0.016 17812 5437 1 15 . 1 1 369 369 ASP N N 369 120.686 120.686 119.922 0.764 17812 5438 1 15 . 1 1 369 369 ASP HA H 369 4.332 4.332 4.755 -0.423 17812 5439 1 15 . 1 1 369 369 ASP CA C 369 57.181 57.181 53.938 3.243 17812 5440 1 15 . 1 1 369 369 ASP CB C 369 41.404 41.404 41.406 -0.002 17812 5441 1 15 . 1 1 369 369 ASP H H 369 8.614 8.614 8.035 0.579 17812 5442 1 15 . 1 1 370 370 GLU N N 370 115.631 115.631 120.280 -4.649 17812 5443 1 15 . 1 1 370 370 GLU HA H 370 4.861 4.861 4.489 0.372 17812 5444 1 15 . 1 1 370 370 GLU C C 370 175.047 175.047 175.714 -0.667 17812 5445 1 15 . 1 1 370 370 GLU CA C 370 54.687 54.687 55.139 -0.452 17812 5446 1 15 . 1 1 370 370 GLU CB C 370 32.837 32.837 31.052 1.785 17812 5447 1 15 . 1 1 370 370 GLU H H 370 7.823 7.823 8.457 -0.634 17812 5448 1 15 . 1 1 371 371 TRP N N 371 124.056 124.056 124.457 -0.401 17812 5449 1 15 . 1 1 371 371 TRP HA H 371 4.311 4.311 4.664 -0.353 17812 5450 1 15 . 1 1 371 371 TRP C C 371 171.586 171.586 173.597 -2.011 17812 5451 1 15 . 1 1 371 371 TRP CA C 371 59.845 59.845 56.301 3.544 17812 5452 1 15 . 1 1 371 371 TRP CB C 371 31.317 31.317 30.470 0.847 17812 5453 1 15 . 1 1 371 371 TRP H H 371 9.205 9.205 8.318 0.887 17812 5454 1 15 . 1 1 372 372 TYR N N 372 122.933 122.933 123.108 -0.175 17812 5455 1 15 . 1 1 372 372 TYR HA H 372 5.217 5.217 4.130 1.087 17812 5456 1 15 . 1 1 372 372 TYR C C 372 173.821 173.821 174.962 -1.141 17812 5457 1 15 . 1 1 372 372 TYR CA C 372 54.963 54.963 55.882 -0.919 17812 5458 1 15 . 1 1 372 372 TYR CB C 372 41.593 41.593 40.216 1.377 17812 5459 1 15 . 1 1 372 372 TYR H H 372 6.907 6.907 7.709 -0.802 17812 5460 1 15 . 1 1 373 373 CYS N N 373 127.647 127.647 122.467 5.180 17812 5461 1 15 . 1 1 373 373 CYS HA H 373 3.530 3.530 3.717 -0.187 17812 5462 1 15 . 1 1 373 373 CYS CA C 373 57.539 57.539 55.680 1.859 17812 5463 1 15 . 1 1 373 373 CYS CB C 373 30.549 30.549 26.604 3.945 17812 5464 1 15 . 1 1 373 373 CYS H H 373 9.310 9.310 8.151 1.159 17812 5465 1 15 . 1 1 374 374 PRO HA H 374 3.987 3.987 4.006 -0.019 17812 5466 1 15 . 1 1 374 374 PRO C C 374 178.008 178.008 178.733 -0.725 17812 5467 1 15 . 1 1 374 374 PRO CA C 374 65.504 65.504 65.427 0.077 17812 5468 1 15 . 1 1 374 374 PRO CB C 374 32.293 32.293 31.857 0.436 17812 5469 1 15 . 1 1 375 375 GLU N N 375 116.759 116.759 117.986 -1.227 17812 5470 1 15 . 1 1 375 375 GLU HA H 375 4.237 4.237 4.098 0.140 17812 5471 1 15 . 1 1 375 375 GLU C C 375 177.054 177.054 178.170 -1.116 17812 5472 1 15 . 1 1 375 375 GLU CA C 375 58.479 58.479 58.949 -0.470 17812 5473 1 15 . 1 1 375 375 GLU CB C 375 30.939 30.939 29.621 1.318 17812 5474 1 15 . 1 1 375 375 GLU H H 375 8.111 8.111 8.794 -0.683 17812 5475 1 15 . 1 1 376 376 CYS N N 376 122.642 122.642 115.736 6.906 17812 5476 1 15 . 1 1 376 376 CYS HA H 376 4.055 4.055 4.856 -0.801 17812 5477 1 15 . 1 1 376 376 CYS CA C 376 62.498 62.498 58.589 3.909 17812 5478 1 15 . 1 1 376 376 CYS CB C 376 31.379 31.379 26.212 5.167 17812 5479 1 15 . 1 1 376 376 CYS H H 376 8.075 8.075 7.750 0.325 17812 5480 1 15 . 1 1 377 377 ARG N N 377 117.680 117.680 122.081 -4.401 17812 5481 1 15 . 1 1 377 377 ARG HA H 377 3.948 3.948 4.053 -0.105 17812 5482 1 15 . 1 1 377 377 ARG C C 377 56.425 56.425 177.079 -120.654 17812 5483 1 15 . 1 1 377 377 ARG CB C 377 30.678 30.678 29.553 1.125 17812 5484 1 15 . 1 1 377 377 ARG H H 377 7.856 7.856 8.044 -0.188 17812 5485 1 15 . 1 1 378 378 ASN N N 378 119.726 119.726 115.257 4.469 17812 5486 1 15 . 1 1 378 378 ASN HA H 378 4.695 4.695 4.679 0.016 17812 5487 1 15 . 1 1 378 378 ASN C C 378 173.554 173.554 174.965 -1.411 17812 5488 1 15 . 1 1 378 378 ASN CA C 378 53.204 53.204 53.017 0.188 17812 5489 1 15 . 1 1 378 378 ASN CB C 378 39.516 39.516 37.952 1.564 17812 5490 1 15 . 1 1 378 378 ASN H H 378 8.189 8.189 7.834 0.355 17812 5491 1 16 . 1 1 312 312 GLY N N 312 110.352 110.352 109.921 0.431 17812 5492 1 16 . 1 1 312 312 GLY CA C 312 44.546 44.546 44.296 0.250 17812 5493 1 16 . 1 1 312 312 GLY H H 312 7.809 7.809 8.273 -0.464 17812 5494 1 16 . 1 1 313 313 PRO HA H 313 4.433 4.433 4.417 0.016 17812 5495 1 16 . 1 1 313 313 PRO CA C 313 62.527 62.527 62.820 -0.293 17812 5496 1 16 . 1 1 313 313 PRO CB C 313 31.680 31.680 32.902 -1.222 17812 5497 1 16 . 1 1 314 314 SER N N 314 120.711 120.711 114.532 6.179 17812 5498 1 16 . 1 1 314 314 SER HA H 314 4.331 4.331 4.205 0.126 17812 5499 1 16 . 1 1 314 314 SER C C 314 174.789 174.789 174.471 0.318 17812 5500 1 16 . 1 1 314 314 SER CA C 314 60.627 60.627 60.039 0.588 17812 5501 1 16 . 1 1 314 314 SER CB C 314 63.925 63.925 63.359 0.566 17812 5502 1 16 . 1 1 314 314 SER H H 314 10.435 10.435 8.341 2.094 17812 5503 1 16 . 1 1 315 315 CYS N N 315 125.240 125.240 120.898 4.342 17812 5504 1 16 . 1 1 315 315 CYS HA H 315 4.698 4.698 4.682 0.016 17812 5505 1 16 . 1 1 315 315 CYS C C 315 176.852 176.852 174.015 2.837 17812 5506 1 16 . 1 1 315 315 CYS CA C 315 58.281 58.281 57.706 0.574 17812 5507 1 16 . 1 1 315 315 CYS CB C 315 32.487 32.487 28.255 4.232 17812 5508 1 16 . 1 1 315 315 CYS H H 315 9.159 9.159 7.914 1.245 17812 5509 1 16 . 1 1 316 316 LYS N N 316 127.250 127.250 125.609 1.641 17812 5510 1 16 . 1 1 316 316 LYS HA H 316 4.005 4.005 4.333 -0.328 17812 5511 1 16 . 1 1 316 316 LYS C C 316 176.341 176.341 177.086 -0.745 17812 5512 1 16 . 1 1 316 316 LYS CA C 316 58.026 58.026 57.403 0.623 17812 5513 1 16 . 1 1 316 316 LYS CB C 316 32.116 32.116 32.516 -0.400 17812 5514 1 16 . 1 1 316 316 LYS H H 316 8.951 8.951 8.635 0.316 17812 5515 1 16 . 1 1 317 317 HIS N N 317 121.622 121.622 116.922 4.700 17812 5516 1 16 . 1 1 317 317 HIS HA H 317 4.367 4.367 4.679 -0.312 17812 5517 1 16 . 1 1 317 317 HIS C C 317 176.348 176.348 176.936 -0.588 17812 5518 1 16 . 1 1 317 317 HIS CA C 317 59.351 59.351 58.276 1.075 17812 5519 1 16 . 1 1 317 317 HIS CB C 317 31.034 31.034 29.813 1.221 17812 5520 1 16 . 1 1 317 317 HIS H H 317 8.882 8.882 7.887 0.995 17812 5521 1 16 . 1 1 318 318 CYS N N 318 115.222 115.222 118.845 -3.623 17812 5522 1 16 . 1 1 318 318 CYS HA H 318 4.839 4.839 4.300 0.539 17812 5523 1 16 . 1 1 318 318 CYS C C 318 176.909 176.909 176.803 0.106 17812 5524 1 16 . 1 1 318 318 CYS CA C 318 58.040 58.040 62.139 -4.099 17812 5525 1 16 . 1 1 318 318 CYS CB C 318 31.925 31.925 26.229 5.696 17812 5526 1 16 . 1 1 318 318 CYS H H 318 8.081 8.081 7.962 0.119 17812 5527 1 16 . 1 1 319 319 LYS N N 319 119.827 119.827 119.165 0.662 17812 5528 1 16 . 1 1 319 319 LYS HA H 319 3.886 3.886 3.975 -0.089 17812 5529 1 16 . 1 1 319 319 LYS C C 319 174.670 174.670 178.504 -3.834 17812 5530 1 16 . 1 1 319 319 LYS CA C 319 57.728 57.728 59.344 -1.616 17812 5531 1 16 . 1 1 319 319 LYS CB C 319 28.902 28.902 31.776 -2.874 17812 5532 1 16 . 1 1 319 319 LYS H H 319 7.895 7.895 8.369 -0.474 17812 5533 1 16 . 1 1 320 320 ASP N N 320 117.610 117.610 118.767 -1.157 17812 5534 1 16 . 1 1 320 320 ASP HA H 320 4.206 4.206 4.499 -0.293 17812 5535 1 16 . 1 1 320 320 ASP C C 320 174.861 174.861 176.604 -1.743 17812 5536 1 16 . 1 1 320 320 ASP CA C 320 54.551 54.551 56.556 -2.005 17812 5537 1 16 . 1 1 320 320 ASP CB C 320 38.354 38.354 41.011 -2.656 17812 5538 1 16 . 1 1 320 320 ASP H H 320 8.873 8.873 7.902 0.971 17812 5539 1 16 . 1 1 321 321 ASP N N 321 118.813 118.813 115.113 3.700 17812 5540 1 16 . 1 1 321 321 ASP HA H 321 4.595 4.595 4.649 -0.054 17812 5541 1 16 . 1 1 321 321 ASP C C 321 176.386 176.386 176.683 -0.297 17812 5542 1 16 . 1 1 321 321 ASP CA C 321 53.781 53.781 53.152 0.629 17812 5543 1 16 . 1 1 321 321 ASP CB C 321 40.782 40.782 39.948 0.834 17812 5544 1 16 . 1 1 321 321 ASP H H 321 7.212 7.212 7.748 -0.536 17812 5545 1 16 . 1 1 322 322 VAL N N 322 122.228 122.228 122.205 0.023 17812 5546 1 16 . 1 1 322 322 VAL HA H 322 3.866 3.866 3.603 0.263 17812 5547 1 16 . 1 1 322 322 VAL CA C 322 63.885 63.885 65.008 -1.123 17812 5548 1 16 . 1 1 322 322 VAL CB C 322 31.385 31.385 32.254 -0.869 17812 5549 1 16 . 1 1 322 322 VAL H H 322 8.060 8.060 8.134 -0.074 17812 5550 1 16 . 1 1 323 323 ASN N N 323 117.787 117.787 116.549 1.238 17812 5551 1 16 . 1 1 323 323 ASN HA H 323 4.710 4.710 4.486 0.224 17812 5552 1 16 . 1 1 323 323 ASN CA C 323 54.065 54.065 55.116 -1.051 17812 5553 1 16 . 1 1 323 323 ASN CB C 323 38.876 38.876 38.300 0.576 17812 5554 1 16 . 1 1 323 323 ASN H H 323 8.486 8.486 8.669 -0.183 17812 5555 1 16 . 1 1 324 324 ARG N N 324 120.106 120.106 119.820 0.286 17812 5556 1 16 . 1 1 324 324 ARG HA H 324 4.632 4.632 4.449 0.183 17812 5557 1 16 . 1 1 324 324 ARG C C 324 175.881 175.881 175.431 0.450 17812 5558 1 16 . 1 1 324 324 ARG CA C 324 54.488 54.488 55.196 -0.708 17812 5559 1 16 . 1 1 324 324 ARG CB C 324 32.709 32.709 31.482 1.227 17812 5560 1 16 . 1 1 324 324 ARG H H 324 7.955 7.955 7.761 0.194 17812 5561 1 16 . 1 1 325 325 LEU N N 325 123.983 123.983 121.735 2.248 17812 5562 1 16 . 1 1 325 325 LEU HA H 325 4.422 4.422 4.447 -0.025 17812 5563 1 16 . 1 1 325 325 LEU C C 325 177.647 177.647 176.500 1.147 17812 5564 1 16 . 1 1 325 325 LEU CA C 325 54.910 54.910 54.989 -0.079 17812 5565 1 16 . 1 1 325 325 LEU CB C 325 42.720 42.720 43.025 -0.305 17812 5566 1 16 . 1 1 325 325 LEU H H 325 8.423 8.423 8.280 0.143 17812 5567 1 16 . 1 1 326 326 CYS N N 326 123.693 123.693 124.636 -0.943 17812 5568 1 16 . 1 1 326 326 CYS HA H 326 4.474 4.474 4.785 -0.311 17812 5569 1 16 . 1 1 326 326 CYS C C 326 174.472 174.472 175.648 -1.176 17812 5570 1 16 . 1 1 326 326 CYS CA C 326 60.503 60.503 57.447 3.057 17812 5571 1 16 . 1 1 326 326 CYS CB C 326 32.551 32.551 29.930 2.621 17812 5572 1 16 . 1 1 326 326 CYS H H 326 9.277 9.277 8.596 0.681 17812 5573 1 16 . 1 1 327 327 ARG N N 327 126.881 126.881 125.748 1.133 17812 5574 1 16 . 1 1 327 327 ARG HA H 327 4.579 4.579 4.103 0.476 17812 5575 1 16 . 1 1 327 327 ARG C C 327 175.128 175.128 177.963 -2.835 17812 5576 1 16 . 1 1 327 327 ARG CA C 327 56.522 56.522 58.563 -2.041 17812 5577 1 16 . 1 1 327 327 ARG CB C 327 29.116 29.116 30.149 -1.033 17812 5578 1 16 . 1 1 327 327 ARG H H 327 8.880 8.880 8.782 0.098 17812 5579 1 16 . 1 1 328 328 VAL N N 328 123.112 123.112 118.073 5.039 17812 5580 1 16 . 1 1 328 328 VAL HA H 328 4.139 4.139 3.786 0.353 17812 5581 1 16 . 1 1 328 328 VAL C C 328 176.618 176.618 176.839 -0.221 17812 5582 1 16 . 1 1 328 328 VAL CA C 328 65.790 65.790 64.738 1.052 17812 5583 1 16 . 1 1 328 328 VAL CB C 328 32.296 32.296 31.950 0.346 17812 5584 1 16 . 1 1 328 328 VAL H H 328 9.058 9.058 7.834 1.224 17812 5585 1 16 . 1 1 329 329 CYS N N 329 117.822 117.822 117.160 0.662 17812 5586 1 16 . 1 1 329 329 CYS HA H 329 4.975 4.975 4.758 0.217 17812 5587 1 16 . 1 1 329 329 CYS C C 329 174.466 174.466 173.569 0.897 17812 5588 1 16 . 1 1 329 329 CYS CA C 329 58.446 58.446 56.440 2.006 17812 5589 1 16 . 1 1 329 329 CYS CB C 329 31.850 31.850 25.722 6.128 17812 5590 1 16 . 1 1 329 329 CYS H H 329 8.372 8.372 7.698 0.674 17812 5591 1 16 . 1 1 330 330 ALA N N 330 130.671 130.671 124.448 6.223 17812 5592 1 16 . 1 1 330 330 ALA HA H 330 4.575 4.575 4.504 0.071 17812 5593 1 16 . 1 1 330 330 ALA C C 330 175.000 175.000 175.102 -0.102 17812 5594 1 16 . 1 1 330 330 ALA CA C 330 50.393 50.393 51.051 -0.658 17812 5595 1 16 . 1 1 330 330 ALA CB C 330 19.244 19.244 20.803 -1.559 17812 5596 1 16 . 1 1 330 330 ALA H H 330 7.030 7.030 7.515 -0.485 17812 5597 1 16 . 1 1 331 331 CYS N N 331 118.585 118.585 119.464 -0.879 17812 5598 1 16 . 1 1 331 331 CYS HA H 331 3.587 3.587 4.625 -1.038 17812 5599 1 16 . 1 1 331 331 CYS C C 331 177.953 177.953 176.751 1.202 17812 5600 1 16 . 1 1 331 331 CYS CA C 331 60.241 60.241 59.833 0.408 17812 5601 1 16 . 1 1 331 331 CYS CB C 331 30.524 30.524 27.308 3.216 17812 5602 1 16 . 1 1 331 331 CYS H H 331 7.081 7.081 8.785 -1.704 17812 5603 1 16 . 1 1 332 332 HIS N N 332 127.546 127.546 128.136 -0.590 17812 5604 1 16 . 1 1 332 332 HIS HA H 332 4.752 4.752 4.257 0.495 17812 5605 1 16 . 1 1 332 332 HIS C C 332 174.236 174.236 174.388 -0.152 17812 5606 1 16 . 1 1 332 332 HIS CA C 332 56.287 56.287 58.933 -2.646 17812 5607 1 16 . 1 1 332 332 HIS CB C 332 28.769 28.769 29.988 -1.220 17812 5608 1 16 . 1 1 332 332 HIS H H 332 9.757 9.757 8.901 0.856 17812 5609 1 16 . 1 1 333 333 LEU N N 333 118.061 118.061 117.851 0.210 17812 5610 1 16 . 1 1 333 333 LEU HA H 333 4.580 4.580 4.273 0.307 17812 5611 1 16 . 1 1 333 333 LEU C C 333 177.564 177.564 177.533 0.031 17812 5612 1 16 . 1 1 333 333 LEU CA C 333 56.046 56.046 53.794 2.252 17812 5613 1 16 . 1 1 333 333 LEU CB C 333 42.986 42.986 42.924 0.062 17812 5614 1 16 . 1 1 333 333 LEU H H 333 8.773 8.773 7.915 0.858 17812 5615 1 16 . 1 1 334 334 CYS N N 334 118.393 118.393 120.482 -2.089 17812 5616 1 16 . 1 1 334 334 CYS HA H 334 5.084 5.084 4.162 0.922 17812 5617 1 16 . 1 1 334 334 CYS C C 334 176.736 176.736 175.921 0.815 17812 5618 1 16 . 1 1 334 334 CYS CA C 334 58.973 58.973 59.603 -0.630 17812 5619 1 16 . 1 1 334 334 CYS CB C 334 32.481 32.481 26.248 6.233 17812 5620 1 16 . 1 1 334 334 CYS H H 334 8.310 8.310 9.237 -0.927 17812 5621 1 16 . 1 1 335 335 GLY N N 335 115.992 115.992 113.275 2.717 17812 5622 1 16 . 1 1 335 335 GLY C C 335 172.059 172.059 174.539 -2.480 17812 5623 1 16 . 1 1 335 335 GLY CA C 335 45.652 45.652 45.579 0.073 17812 5624 1 16 . 1 1 335 335 GLY H H 335 8.596 8.596 8.340 0.256 17812 5625 1 16 . 1 1 336 336 GLY N N 336 111.360 111.360 106.154 5.206 17812 5626 1 16 . 1 1 336 336 GLY C C 336 174.101 174.101 173.530 0.571 17812 5627 1 16 . 1 1 336 336 GLY CA C 336 44.987 44.987 43.715 1.272 17812 5628 1 16 . 1 1 336 336 GLY H H 336 9.594 9.594 8.046 1.548 17812 5629 1 16 . 1 1 337 337 ARG N N 337 118.859 118.859 118.095 0.764 17812 5630 1 16 . 1 1 337 337 ARG HA H 337 4.413 4.413 4.490 -0.077 17812 5631 1 16 . 1 1 337 337 ARG C C 337 177.635 177.635 175.680 1.955 17812 5632 1 16 . 1 1 337 337 ARG CA C 337 55.364 55.364 55.272 0.092 17812 5633 1 16 . 1 1 337 337 ARG CB C 337 31.337 31.337 31.047 0.290 17812 5634 1 16 . 1 1 337 337 ARG H H 337 8.827 8.827 8.600 0.227 17812 5635 1 16 . 1 1 338 338 GLN N N 338 120.950 120.950 120.105 0.845 17812 5636 1 16 . 1 1 338 338 GLN HA H 338 4.376 4.376 4.304 0.072 17812 5637 1 16 . 1 1 338 338 GLN C C 338 176.420 176.420 174.910 1.510 17812 5638 1 16 . 1 1 338 338 GLN CA C 338 55.694 55.694 56.388 -0.694 17812 5639 1 16 . 1 1 338 338 GLN CB C 338 28.096 28.096 29.396 -1.300 17812 5640 1 16 . 1 1 338 338 GLN H H 338 9.568 9.568 8.124 1.444 17812 5641 1 16 . 1 1 339 339 ASP N N 339 117.880 117.880 121.176 -3.296 17812 5642 1 16 . 1 1 339 339 ASP HA H 339 4.625 4.625 4.406 0.219 17812 5643 1 16 . 1 1 339 339 ASP CA C 339 55.283 55.283 54.694 0.589 17812 5644 1 16 . 1 1 339 339 ASP CB C 339 41.092 41.092 39.701 1.391 17812 5645 1 16 . 1 1 339 339 ASP H H 339 9.681 9.681 8.673 1.008 17812 5646 1 16 . 1 1 340 340 PRO HA H 340 4.140 4.140 3.964 0.176 17812 5647 1 16 . 1 1 340 340 PRO C C 340 177.463 177.463 177.893 -0.430 17812 5648 1 16 . 1 1 340 340 PRO CA C 340 65.883 65.883 64.672 1.211 17812 5649 1 16 . 1 1 340 340 PRO CB C 340 30.045 30.045 31.895 -1.850 17812 5650 1 16 . 1 1 341 341 ASP N N 341 115.117 115.117 115.576 -0.459 17812 5651 1 16 . 1 1 341 341 ASP HA H 341 4.642 4.642 4.413 0.229 17812 5652 1 16 . 1 1 341 341 ASP C C 341 175.663 175.663 176.774 -1.111 17812 5653 1 16 . 1 1 341 341 ASP CA C 341 54.735 54.735 56.011 -1.276 17812 5654 1 16 . 1 1 341 341 ASP CB C 341 39.135 39.135 39.457 -0.322 17812 5655 1 16 . 1 1 341 341 ASP H H 341 9.176 9.176 8.694 0.482 17812 5656 1 16 . 1 1 342 342 LYS N N 342 117.582 117.582 117.378 0.204 17812 5657 1 16 . 1 1 342 342 LYS HA H 342 4.351 4.351 4.304 0.047 17812 5658 1 16 . 1 1 342 342 LYS CA C 342 54.496 54.496 55.959 -1.463 17812 5659 1 16 . 1 1 342 342 LYS CB C 342 33.968 33.968 32.583 1.385 17812 5660 1 16 . 1 1 342 342 LYS H H 342 8.056 8.056 7.405 0.651 17812 5661 1 16 . 1 1 343 343 GLN N N 343 119.535 119.535 118.355 1.180 17812 5662 1 16 . 1 1 343 343 GLN HA H 343 4.510 4.510 3.920 0.590 17812 5663 1 16 . 1 1 343 343 GLN C C 343 175.176 175.176 175.209 -0.033 17812 5664 1 16 . 1 1 343 343 GLN CA C 343 54.652 54.652 55.755 -1.103 17812 5665 1 16 . 1 1 343 343 GLN CB C 343 29.270 29.270 29.127 0.143 17812 5666 1 16 . 1 1 343 343 GLN H H 343 7.174 7.174 7.022 0.152 17812 5667 1 16 . 1 1 344 344 LEU N N 344 124.836 124.836 125.033 -0.197 17812 5668 1 16 . 1 1 344 344 LEU HA H 344 4.307 4.307 4.626 -0.319 17812 5669 1 16 . 1 1 344 344 LEU CA C 344 53.564 53.564 54.150 -0.586 17812 5670 1 16 . 1 1 344 344 LEU CB C 344 44.381 44.381 44.022 0.359 17812 5671 1 16 . 1 1 344 344 LEU H H 344 8.215 8.215 8.696 -0.481 17812 5672 1 16 . 1 1 345 345 MET N N 345 119.349 119.349 125.507 -6.158 17812 5673 1 16 . 1 1 345 345 MET HA H 345 5.433 5.433 5.388 0.045 17812 5674 1 16 . 1 1 345 345 MET C C 345 175.462 175.462 175.115 0.347 17812 5675 1 16 . 1 1 345 345 MET CA C 345 52.877 52.877 54.028 -1.151 17812 5676 1 16 . 1 1 345 345 MET CB C 345 32.312 32.312 35.495 -3.183 17812 5677 1 16 . 1 1 345 345 MET H H 345 8.086 8.086 8.381 -0.295 17812 5678 1 16 . 1 1 346 346 CYS N N 346 124.792 124.792 127.598 -2.806 17812 5679 1 16 . 1 1 346 346 CYS HA H 346 4.751 4.751 5.036 -0.285 17812 5680 1 16 . 1 1 346 346 CYS C C 346 177.998 177.998 175.566 2.432 17812 5681 1 16 . 1 1 346 346 CYS CA C 346 60.088 60.088 57.194 2.894 17812 5682 1 16 . 1 1 346 346 CYS CB C 346 32.345 32.345 29.744 2.601 17812 5683 1 16 . 1 1 346 346 CYS H H 346 9.088 9.088 9.165 -0.077 17812 5684 1 16 . 1 1 347 347 ASP N N 347 129.440 129.440 127.527 1.913 17812 5685 1 16 . 1 1 347 347 ASP HA H 347 4.624 4.624 4.709 -0.085 17812 5686 1 16 . 1 1 347 347 ASP C C 347 174.755 174.755 177.657 -2.902 17812 5687 1 16 . 1 1 347 347 ASP CA C 347 57.932 57.932 56.527 1.405 17812 5688 1 16 . 1 1 347 347 ASP CB C 347 41.115 41.115 40.867 0.248 17812 5689 1 16 . 1 1 347 347 ASP H H 347 9.154 9.154 8.761 0.393 17812 5690 1 16 . 1 1 348 348 GLU N N 348 124.253 124.253 118.324 5.929 17812 5691 1 16 . 1 1 348 348 GLU HA H 348 4.895 4.895 4.253 0.642 17812 5692 1 16 . 1 1 348 348 GLU C C 348 176.439 176.439 177.669 -1.230 17812 5693 1 16 . 1 1 348 348 GLU CA C 348 58.673 58.673 58.364 0.309 17812 5694 1 16 . 1 1 348 348 GLU CB C 348 30.510 30.510 29.913 0.597 17812 5695 1 16 . 1 1 348 348 GLU H H 348 9.615 9.615 8.286 1.329 17812 5696 1 16 . 1 1 349 349 CYS N N 349 119.153 119.153 114.533 4.620 17812 5697 1 16 . 1 1 349 349 CYS HA H 349 4.778 4.778 4.619 0.159 17812 5698 1 16 . 1 1 349 349 CYS CA C 349 60.216 60.216 57.099 3.117 17812 5699 1 16 . 1 1 349 349 CYS CB C 349 32.008 32.008 28.445 3.563 17812 5700 1 16 . 1 1 349 349 CYS H H 349 8.522 8.522 7.626 0.896 17812 5701 1 16 . 1 1 350 350 ASP N N 350 115.218 115.218 120.882 -5.664 17812 5702 1 16 . 1 1 350 350 ASP HA H 350 4.492 4.492 4.377 0.115 17812 5703 1 16 . 1 1 350 350 ASP CA C 350 55.086 55.086 55.702 -0.616 17812 5704 1 16 . 1 1 350 350 ASP CB C 350 41.386 41.386 38.422 2.963 17812 5705 1 16 . 1 1 350 350 ASP H H 350 7.813 7.813 8.653 -0.840 17812 5706 1 16 . 1 1 351 351 MET N N 351 117.029 117.029 117.596 -0.567 17812 5707 1 16 . 1 1 351 351 MET HA H 351 4.520 4.520 4.707 -0.187 17812 5708 1 16 . 1 1 351 351 MET C C 351 173.497 173.497 174.699 -1.202 17812 5709 1 16 . 1 1 351 351 MET CA C 351 54.706 54.706 54.607 0.099 17812 5710 1 16 . 1 1 351 351 MET CB C 351 34.605 34.605 36.689 -2.084 17812 5711 1 16 . 1 1 351 351 MET H H 351 8.162 8.162 7.554 0.608 17812 5712 1 16 . 1 1 352 352 ALA N N 352 123.068 123.068 122.851 0.217 17812 5713 1 16 . 1 1 352 352 ALA HA H 352 5.528 5.528 5.669 -0.141 17812 5714 1 16 . 1 1 352 352 ALA C C 352 177.545 177.545 176.471 1.074 17812 5715 1 16 . 1 1 352 352 ALA CA C 352 49.943 49.943 50.789 -0.846 17812 5716 1 16 . 1 1 352 352 ALA CB C 352 22.111 22.111 21.189 0.923 17812 5717 1 16 . 1 1 352 352 ALA H H 352 8.499 8.499 8.519 -0.020 17812 5718 1 16 . 1 1 353 353 PHE N N 353 116.057 116.057 118.186 -2.129 17812 5719 1 16 . 1 1 353 353 PHE HA H 353 5.106 5.106 4.890 0.216 17812 5720 1 16 . 1 1 353 353 PHE C C 353 176.868 176.868 176.788 0.080 17812 5721 1 16 . 1 1 353 353 PHE CA C 353 56.416 56.416 56.974 -0.558 17812 5722 1 16 . 1 1 353 353 PHE CB C 353 43.111 43.111 43.239 -0.128 17812 5723 1 16 . 1 1 353 353 PHE H H 353 9.164 9.164 8.261 0.903 17812 5724 1 16 . 1 1 354 354 HIS N N 354 124.053 124.053 121.578 2.475 17812 5725 1 16 . 1 1 354 354 HIS HA H 354 4.650 4.650 4.268 0.382 17812 5726 1 16 . 1 1 354 354 HIS C C 354 180.505 180.505 177.096 3.409 17812 5727 1 16 . 1 1 354 354 HIS CA C 354 58.931 58.931 57.495 1.436 17812 5728 1 16 . 1 1 354 354 HIS CB C 354 31.235 31.235 29.912 1.323 17812 5729 1 16 . 1 1 354 354 HIS H H 354 9.388 9.388 8.901 0.487 17812 5730 1 16 . 1 1 355 355 ILE N N 355 115.081 115.081 118.242 -3.161 17812 5731 1 16 . 1 1 355 355 ILE HA H 355 3.928 3.928 3.660 0.268 17812 5732 1 16 . 1 1 355 355 ILE C C 355 175.451 175.451 176.035 -0.584 17812 5733 1 16 . 1 1 355 355 ILE CA C 355 65.726 65.726 63.842 1.884 17812 5734 1 16 . 1 1 355 355 ILE CB C 355 36.292 36.292 36.760 -0.467 17812 5735 1 16 . 1 1 355 355 ILE H H 355 8.568 8.568 8.024 0.544 17812 5736 1 16 . 1 1 356 356 TYR N N 356 110.787 110.787 112.633 -1.846 17812 5737 1 16 . 1 1 356 356 TYR HA H 356 4.801 4.801 4.588 0.213 17812 5738 1 16 . 1 1 356 356 TYR C C 356 177.073 177.073 175.591 1.482 17812 5739 1 16 . 1 1 356 356 TYR CA C 356 55.362 55.362 57.620 -2.258 17812 5740 1 16 . 1 1 356 356 TYR CB C 356 36.767 36.767 38.483 -1.716 17812 5741 1 16 . 1 1 356 356 TYR H H 356 6.117 6.117 7.479 -1.362 17812 5742 1 16 . 1 1 357 357 CYS N N 357 121.584 121.584 118.211 3.373 17812 5743 1 16 . 1 1 357 357 CYS HA H 357 4.537 4.537 3.767 0.770 17812 5744 1 16 . 1 1 357 357 CYS C C 357 174.868 174.868 174.820 0.048 17812 5745 1 16 . 1 1 357 357 CYS CA C 357 62.349 62.349 59.023 3.326 17812 5746 1 16 . 1 1 357 357 CYS CB C 357 31.087 31.087 25.961 5.126 17812 5747 1 16 . 1 1 357 357 CYS H H 357 7.603 7.603 7.115 0.488 17812 5748 1 16 . 1 1 358 358 LEU N N 358 119.134 119.134 121.395 -2.261 17812 5749 1 16 . 1 1 358 358 LEU HA H 358 4.040 4.040 4.298 -0.258 17812 5750 1 16 . 1 1 358 358 LEU CA C 358 55.465 55.465 54.738 0.727 17812 5751 1 16 . 1 1 358 358 LEU CB C 358 44.020 44.020 42.309 1.711 17812 5752 1 16 . 1 1 358 358 LEU H H 358 6.387 6.387 7.100 -0.713 17812 5753 1 16 . 1 1 359 359 ASP N N 359 117.020 117.020 122.828 -5.808 17812 5754 1 16 . 1 1 359 359 ASP HA H 359 4.985 4.985 4.457 0.528 17812 5755 1 16 . 1 1 359 359 ASP CA C 359 50.354 50.354 55.485 -5.131 17812 5756 1 16 . 1 1 359 359 ASP CB C 359 43.465 43.465 39.913 3.551 17812 5757 1 16 . 1 1 359 359 ASP H H 359 8.167 8.167 8.502 -0.335 17812 5758 1 16 . 1 1 360 360 PRO HA H 360 5.202 5.202 4.632 0.570 17812 5759 1 16 . 1 1 360 360 PRO CA C 360 62.131 62.131 61.652 0.479 17812 5760 1 16 . 1 1 360 360 PRO CB C 360 33.173 33.173 31.401 1.772 17812 5761 1 16 . 1 1 361 361 PRO HA H 361 4.462 4.462 4.526 -0.064 17812 5762 1 16 . 1 1 361 361 PRO C C 361 177.733 177.733 176.900 0.833 17812 5763 1 16 . 1 1 361 361 PRO CA C 361 63.068 63.068 62.066 1.002 17812 5764 1 16 . 1 1 361 361 PRO CB C 361 32.301 32.301 32.836 -0.535 17812 5765 1 16 . 1 1 362 362 LEU N N 362 121.043 121.043 121.147 -0.104 17812 5766 1 16 . 1 1 362 362 LEU HA H 362 4.761 4.761 4.386 0.375 17812 5767 1 16 . 1 1 362 362 LEU C C 362 177.392 177.392 177.515 -0.123 17812 5768 1 16 . 1 1 362 362 LEU CA C 362 53.621 53.621 54.802 -1.181 17812 5769 1 16 . 1 1 362 362 LEU CB C 362 43.759 43.759 41.850 1.909 17812 5770 1 16 . 1 1 362 362 LEU H H 362 7.798 7.798 8.329 -0.531 17812 5771 1 16 . 1 1 363 363 SER N N 363 115.324 115.324 118.119 -2.795 17812 5772 1 16 . 1 1 363 363 SER HA H 363 4.377 4.377 4.362 0.015 17812 5773 1 16 . 1 1 363 363 SER C C 363 174.070 174.070 174.482 -0.412 17812 5774 1 16 . 1 1 363 363 SER CA C 363 59.341 59.341 59.781 -0.440 17812 5775 1 16 . 1 1 363 363 SER CB C 363 63.871 63.871 63.579 0.292 17812 5776 1 16 . 1 1 363 363 SER H H 363 8.899 8.899 8.650 0.249 17812 5777 1 16 . 1 1 364 364 SER N N 364 112.898 112.898 115.738 -2.840 17812 5778 1 16 . 1 1 364 364 SER HA H 364 4.451 4.451 4.611 -0.160 17812 5779 1 16 . 1 1 364 364 SER C C 364 173.066 173.066 172.956 0.110 17812 5780 1 16 . 1 1 364 364 SER CA C 364 56.852 56.852 57.863 -1.011 17812 5781 1 16 . 1 1 364 364 SER CB C 364 65.197 65.197 65.207 -0.010 17812 5782 1 16 . 1 1 364 364 SER H H 364 7.460 7.460 7.774 -0.314 17812 5783 1 16 . 1 1 365 365 VAL N N 365 123.433 123.433 124.123 -0.690 17812 5784 1 16 . 1 1 365 365 VAL HA H 365 3.820 3.820 4.395 -0.575 17812 5785 1 16 . 1 1 365 365 VAL CA C 365 61.613 61.613 59.684 1.929 17812 5786 1 16 . 1 1 365 365 VAL CB C 365 32.428 32.428 33.479 -1.051 17812 5787 1 16 . 1 1 365 365 VAL H H 365 8.695 8.695 8.306 0.389 17812 5788 1 16 . 1 1 366 366 PRO HA H 366 4.457 4.457 4.684 -0.227 17812 5789 1 16 . 1 1 366 366 PRO C C 366 175.679 175.679 175.981 -0.302 17812 5790 1 16 . 1 1 366 366 PRO CA C 366 63.224 63.224 62.861 0.363 17812 5791 1 16 . 1 1 366 366 PRO CB C 366 32.526 32.526 32.283 0.242 17812 5792 1 16 . 1 1 367 367 SER N N 367 116.079 116.079 118.217 -2.138 17812 5793 1 16 . 1 1 367 367 SER HA H 367 4.456 4.456 4.428 0.028 17812 5794 1 16 . 1 1 367 367 SER C C 367 174.796 174.796 175.723 -0.927 17812 5795 1 16 . 1 1 367 367 SER CA C 367 58.855 58.855 59.332 -0.477 17812 5796 1 16 . 1 1 367 367 SER CB C 367 64.091 64.091 64.171 -0.080 17812 5797 1 16 . 1 1 367 367 SER H H 367 8.648 8.648 8.564 0.084 17812 5798 1 16 . 1 1 368 368 GLU N N 368 122.642 122.642 121.074 1.568 17812 5799 1 16 . 1 1 368 368 GLU HA H 368 4.275 4.275 4.176 0.099 17812 5800 1 16 . 1 1 368 368 GLU CA C 368 57.631 57.631 57.539 0.092 17812 5801 1 16 . 1 1 368 368 GLU CB C 368 30.124 30.124 30.150 -0.026 17812 5802 1 16 . 1 1 368 368 GLU H H 368 8.629 8.629 8.473 0.156 17812 5803 1 16 . 1 1 369 369 ASP N N 369 120.686 120.686 119.914 0.772 17812 5804 1 16 . 1 1 369 369 ASP HA H 369 4.332 4.332 4.639 -0.307 17812 5805 1 16 . 1 1 369 369 ASP CA C 369 57.181 57.181 53.703 3.478 17812 5806 1 16 . 1 1 369 369 ASP CB C 369 41.404 41.404 40.584 0.820 17812 5807 1 16 . 1 1 369 369 ASP H H 369 8.614 8.614 8.062 0.552 17812 5808 1 16 . 1 1 370 370 GLU N N 370 115.631 115.631 123.435 -7.804 17812 5809 1 16 . 1 1 370 370 GLU HA H 370 4.861 4.861 4.201 0.660 17812 5810 1 16 . 1 1 370 370 GLU C C 370 175.047 175.047 175.763 -0.716 17812 5811 1 16 . 1 1 370 370 GLU CA C 370 54.687 54.687 56.610 -1.923 17812 5812 1 16 . 1 1 370 370 GLU CB C 370 32.837 32.837 30.188 2.649 17812 5813 1 16 . 1 1 370 370 GLU H H 370 7.823 7.823 8.578 -0.755 17812 5814 1 16 . 1 1 371 371 TRP N N 371 124.056 124.056 125.163 -1.107 17812 5815 1 16 . 1 1 371 371 TRP HA H 371 4.311 4.311 4.615 -0.304 17812 5816 1 16 . 1 1 371 371 TRP C C 371 171.586 171.586 173.468 -1.882 17812 5817 1 16 . 1 1 371 371 TRP CA C 371 59.845 59.845 56.308 3.537 17812 5818 1 16 . 1 1 371 371 TRP CB C 371 31.317 31.317 30.348 0.969 17812 5819 1 16 . 1 1 371 371 TRP H H 371 9.205 9.205 8.534 0.671 17812 5820 1 16 . 1 1 372 372 TYR N N 372 122.933 122.933 123.223 -0.290 17812 5821 1 16 . 1 1 372 372 TYR HA H 372 5.217 5.217 4.007 1.210 17812 5822 1 16 . 1 1 372 372 TYR C C 372 173.821 173.821 174.834 -1.013 17812 5823 1 16 . 1 1 372 372 TYR CA C 372 54.963 54.963 55.750 -0.787 17812 5824 1 16 . 1 1 372 372 TYR CB C 372 41.593 41.593 40.823 0.770 17812 5825 1 16 . 1 1 372 372 TYR H H 372 6.907 6.907 7.755 -0.848 17812 5826 1 16 . 1 1 373 373 CYS N N 373 127.647 127.647 122.159 5.488 17812 5827 1 16 . 1 1 373 373 CYS HA H 373 3.530 3.530 3.767 -0.237 17812 5828 1 16 . 1 1 373 373 CYS CA C 373 57.539 57.539 56.621 0.918 17812 5829 1 16 . 1 1 373 373 CYS CB C 373 30.549 30.549 26.860 3.689 17812 5830 1 16 . 1 1 373 373 CYS H H 373 9.310 9.310 8.319 0.991 17812 5831 1 16 . 1 1 374 374 PRO HA H 374 3.987 3.987 4.060 -0.073 17812 5832 1 16 . 1 1 374 374 PRO C C 374 178.008 178.008 178.925 -0.917 17812 5833 1 16 . 1 1 374 374 PRO CA C 374 65.504 65.504 65.685 -0.181 17812 5834 1 16 . 1 1 374 374 PRO CB C 374 32.293 32.293 31.975 0.318 17812 5835 1 16 . 1 1 375 375 GLU N N 375 116.759 116.759 118.145 -1.386 17812 5836 1 16 . 1 1 375 375 GLU HA H 375 4.237 4.237 4.076 0.161 17812 5837 1 16 . 1 1 375 375 GLU C C 375 177.054 177.054 178.487 -1.433 17812 5838 1 16 . 1 1 375 375 GLU CA C 375 58.479 58.479 59.249 -0.770 17812 5839 1 16 . 1 1 375 375 GLU CB C 375 30.939 30.939 29.384 1.555 17812 5840 1 16 . 1 1 375 375 GLU H H 375 8.111 8.111 8.923 -0.812 17812 5841 1 16 . 1 1 376 376 CYS N N 376 122.642 122.642 117.111 5.531 17812 5842 1 16 . 1 1 376 376 CYS HA H 376 4.055 4.055 4.238 -0.183 17812 5843 1 16 . 1 1 376 376 CYS CA C 376 62.498 62.498 61.223 1.275 17812 5844 1 16 . 1 1 376 376 CYS CB C 376 31.379 31.379 26.054 5.325 17812 5845 1 16 . 1 1 376 376 CYS H H 376 8.075 8.075 8.235 -0.160 17812 5846 1 16 . 1 1 377 377 ARG N N 377 117.680 117.680 119.161 -1.481 17812 5847 1 16 . 1 1 377 377 ARG HA H 377 3.948 3.948 4.070 -0.122 17812 5848 1 16 . 1 1 377 377 ARG C C 377 56.425 56.425 176.919 -120.494 17812 5849 1 16 . 1 1 377 377 ARG CB C 377 30.678 30.678 29.702 0.976 17812 5850 1 16 . 1 1 377 377 ARG H H 377 7.856 7.856 7.775 0.081 17812 5851 1 16 . 1 1 378 378 ASN N N 378 119.726 119.726 114.234 5.492 17812 5852 1 16 . 1 1 378 378 ASN HA H 378 4.695 4.695 4.369 0.326 17812 5853 1 16 . 1 1 378 378 ASN C C 378 173.554 173.554 174.399 -0.845 17812 5854 1 16 . 1 1 378 378 ASN CA C 378 53.204 53.204 54.880 -1.677 17812 5855 1 16 . 1 1 378 378 ASN CB C 378 39.516 39.516 36.861 2.655 17812 5856 1 16 . 1 1 378 378 ASN H H 378 8.189 8.189 8.115 0.074 17812 5857 1 17 . 1 1 312 312 GLY N N 312 110.352 110.352 110.270 0.082 17812 5858 1 17 . 1 1 312 312 GLY CA C 312 44.546 44.546 44.393 0.153 17812 5859 1 17 . 1 1 312 312 GLY H H 312 7.809 7.809 8.493 -0.684 17812 5860 1 17 . 1 1 313 313 PRO HA H 313 4.433 4.433 4.391 0.042 17812 5861 1 17 . 1 1 313 313 PRO CA C 313 62.527 62.527 63.754 -1.227 17812 5862 1 17 . 1 1 313 313 PRO CB C 313 31.680 31.680 31.845 -0.165 17812 5863 1 17 . 1 1 314 314 SER N N 314 120.711 120.711 112.780 7.931 17812 5864 1 17 . 1 1 314 314 SER HA H 314 4.331 4.331 4.310 0.021 17812 5865 1 17 . 1 1 314 314 SER C C 314 174.789 174.789 174.794 -0.005 17812 5866 1 17 . 1 1 314 314 SER CA C 314 60.627 60.627 58.934 1.693 17812 5867 1 17 . 1 1 314 314 SER CB C 314 63.925 63.925 63.214 0.711 17812 5868 1 17 . 1 1 314 314 SER H H 314 10.435 10.435 8.204 2.231 17812 5869 1 17 . 1 1 315 315 CYS N N 315 125.240 125.240 122.531 2.709 17812 5870 1 17 . 1 1 315 315 CYS HA H 315 4.698 4.698 4.746 -0.048 17812 5871 1 17 . 1 1 315 315 CYS C C 315 176.852 176.852 174.564 2.288 17812 5872 1 17 . 1 1 315 315 CYS CA C 315 58.281 58.281 57.985 0.296 17812 5873 1 17 . 1 1 315 315 CYS CB C 315 32.487 32.487 29.058 3.429 17812 5874 1 17 . 1 1 315 315 CYS H H 315 9.159 9.159 7.588 1.571 17812 5875 1 17 . 1 1 316 316 LYS N N 316 127.250 127.250 127.202 0.048 17812 5876 1 17 . 1 1 316 316 LYS HA H 316 4.005 4.005 4.042 -0.037 17812 5877 1 17 . 1 1 316 316 LYS C C 316 176.341 176.341 177.792 -1.451 17812 5878 1 17 . 1 1 316 316 LYS CA C 316 58.026 58.026 58.900 -0.874 17812 5879 1 17 . 1 1 316 316 LYS CB C 316 32.116 32.116 32.328 -0.212 17812 5880 1 17 . 1 1 316 316 LYS H H 316 8.951 8.951 8.718 0.233 17812 5881 1 17 . 1 1 317 317 HIS N N 317 121.622 121.622 118.414 3.208 17812 5882 1 17 . 1 1 317 317 HIS HA H 317 4.367 4.367 4.478 -0.111 17812 5883 1 17 . 1 1 317 317 HIS C C 317 176.348 176.348 177.320 -0.972 17812 5884 1 17 . 1 1 317 317 HIS CA C 317 59.351 59.351 59.255 0.096 17812 5885 1 17 . 1 1 317 317 HIS CB C 317 31.034 31.034 29.310 1.724 17812 5886 1 17 . 1 1 317 317 HIS H H 317 8.882 8.882 7.730 1.152 17812 5887 1 17 . 1 1 318 318 CYS N N 318 115.222 115.222 118.280 -3.058 17812 5888 1 17 . 1 1 318 318 CYS HA H 318 4.839 4.839 4.235 0.604 17812 5889 1 17 . 1 1 318 318 CYS C C 318 176.909 176.909 176.728 0.181 17812 5890 1 17 . 1 1 318 318 CYS CA C 318 58.040 58.040 62.529 -4.489 17812 5891 1 17 . 1 1 318 318 CYS CB C 318 31.925 31.925 26.165 5.760 17812 5892 1 17 . 1 1 318 318 CYS H H 318 8.081 8.081 7.838 0.243 17812 5893 1 17 . 1 1 319 319 LYS N N 319 119.827 119.827 118.138 1.689 17812 5894 1 17 . 1 1 319 319 LYS HA H 319 3.886 3.886 4.053 -0.167 17812 5895 1 17 . 1 1 319 319 LYS C C 319 174.670 174.670 178.831 -4.161 17812 5896 1 17 . 1 1 319 319 LYS CA C 319 57.728 57.728 59.076 -1.348 17812 5897 1 17 . 1 1 319 319 LYS CB C 319 28.902 28.902 32.205 -3.303 17812 5898 1 17 . 1 1 319 319 LYS H H 319 7.895 7.895 7.714 0.181 17812 5899 1 17 . 1 1 320 320 ASP N N 320 117.610 117.610 119.189 -1.579 17812 5900 1 17 . 1 1 320 320 ASP HA H 320 4.206 4.206 4.474 -0.268 17812 5901 1 17 . 1 1 320 320 ASP C C 320 174.861 174.861 176.445 -1.584 17812 5902 1 17 . 1 1 320 320 ASP CA C 320 54.551 54.551 56.390 -1.839 17812 5903 1 17 . 1 1 320 320 ASP CB C 320 38.354 38.354 41.298 -2.944 17812 5904 1 17 . 1 1 320 320 ASP H H 320 8.873 8.873 7.606 1.267 17812 5905 1 17 . 1 1 321 321 ASP N N 321 118.813 118.813 117.995 0.818 17812 5906 1 17 . 1 1 321 321 ASP HA H 321 4.595 4.595 4.949 -0.354 17812 5907 1 17 . 1 1 321 321 ASP C C 321 176.386 176.386 175.974 0.412 17812 5908 1 17 . 1 1 321 321 ASP CA C 321 53.781 53.781 53.244 0.537 17812 5909 1 17 . 1 1 321 321 ASP CB C 321 40.782 40.782 40.972 -0.190 17812 5910 1 17 . 1 1 321 321 ASP H H 321 7.212 7.212 7.976 -0.764 17812 5911 1 17 . 1 1 322 322 VAL N N 322 122.228 122.228 120.026 2.202 17812 5912 1 17 . 1 1 322 322 VAL HA H 322 3.866 3.866 3.718 0.148 17812 5913 1 17 . 1 1 322 322 VAL CA C 322 63.885 63.885 65.515 -1.630 17812 5914 1 17 . 1 1 322 322 VAL CB C 322 31.385 31.385 31.827 -0.442 17812 5915 1 17 . 1 1 322 322 VAL H H 322 8.060 8.060 8.249 -0.189 17812 5916 1 17 . 1 1 323 323 ASN N N 323 117.787 117.787 116.603 1.184 17812 5917 1 17 . 1 1 323 323 ASN HA H 323 4.710 4.710 4.546 0.164 17812 5918 1 17 . 1 1 323 323 ASN CA C 323 54.065 54.065 54.397 -0.332 17812 5919 1 17 . 1 1 323 323 ASN CB C 323 38.876 38.876 38.320 0.556 17812 5920 1 17 . 1 1 323 323 ASN H H 323 8.486 8.486 8.549 -0.063 17812 5921 1 17 . 1 1 324 324 ARG N N 324 120.106 120.106 120.099 0.007 17812 5922 1 17 . 1 1 324 324 ARG HA H 324 4.632 4.632 4.480 0.152 17812 5923 1 17 . 1 1 324 324 ARG C C 324 175.881 175.881 175.300 0.581 17812 5924 1 17 . 1 1 324 324 ARG CA C 324 54.488 54.488 55.123 -0.636 17812 5925 1 17 . 1 1 324 324 ARG CB C 324 32.709 32.709 31.617 1.092 17812 5926 1 17 . 1 1 324 324 ARG H H 324 7.955 7.955 7.538 0.417 17812 5927 1 17 . 1 1 325 325 LEU N N 325 123.983 123.983 120.659 3.324 17812 5928 1 17 . 1 1 325 325 LEU HA H 325 4.422 4.422 4.322 0.100 17812 5929 1 17 . 1 1 325 325 LEU C C 325 177.647 177.647 176.817 0.830 17812 5930 1 17 . 1 1 325 325 LEU CA C 325 54.910 54.910 54.480 0.430 17812 5931 1 17 . 1 1 325 325 LEU CB C 325 42.720 42.720 42.283 0.437 17812 5932 1 17 . 1 1 325 325 LEU H H 325 8.423 8.423 8.272 0.151 17812 5933 1 17 . 1 1 326 326 CYS N N 326 123.693 123.693 124.513 -0.820 17812 5934 1 17 . 1 1 326 326 CYS HA H 326 4.474 4.474 4.591 -0.117 17812 5935 1 17 . 1 1 326 326 CYS C C 326 174.472 174.472 175.291 -0.819 17812 5936 1 17 . 1 1 326 326 CYS CA C 326 60.503 60.503 58.194 2.309 17812 5937 1 17 . 1 1 326 326 CYS CB C 326 32.551 32.551 27.530 5.021 17812 5938 1 17 . 1 1 326 326 CYS H H 326 9.277 9.277 8.856 0.421 17812 5939 1 17 . 1 1 327 327 ARG N N 327 126.881 126.881 125.998 0.883 17812 5940 1 17 . 1 1 327 327 ARG HA H 327 4.579 4.579 4.089 0.490 17812 5941 1 17 . 1 1 327 327 ARG C C 327 175.128 175.128 177.960 -2.832 17812 5942 1 17 . 1 1 327 327 ARG CA C 327 56.522 56.522 58.508 -1.986 17812 5943 1 17 . 1 1 327 327 ARG CB C 327 29.116 29.116 30.065 -0.949 17812 5944 1 17 . 1 1 327 327 ARG H H 327 8.880 8.880 8.758 0.122 17812 5945 1 17 . 1 1 328 328 VAL N N 328 123.112 123.112 117.351 5.761 17812 5946 1 17 . 1 1 328 328 VAL HA H 328 4.139 4.139 3.802 0.337 17812 5947 1 17 . 1 1 328 328 VAL C C 328 176.618 176.618 176.419 0.199 17812 5948 1 17 . 1 1 328 328 VAL CA C 328 65.790 65.790 65.162 0.628 17812 5949 1 17 . 1 1 328 328 VAL CB C 328 32.296 32.296 32.087 0.209 17812 5950 1 17 . 1 1 328 328 VAL H H 328 9.058 9.058 7.886 1.172 17812 5951 1 17 . 1 1 329 329 CYS N N 329 117.822 117.822 118.327 -0.505 17812 5952 1 17 . 1 1 329 329 CYS HA H 329 4.975 4.975 4.634 0.341 17812 5953 1 17 . 1 1 329 329 CYS C C 329 174.466 174.466 173.235 1.231 17812 5954 1 17 . 1 1 329 329 CYS CA C 329 58.446 58.446 57.574 0.872 17812 5955 1 17 . 1 1 329 329 CYS CB C 329 31.850 31.850 25.234 6.616 17812 5956 1 17 . 1 1 329 329 CYS H H 329 8.372 8.372 7.505 0.867 17812 5957 1 17 . 1 1 330 330 ALA N N 330 130.671 130.671 124.455 6.216 17812 5958 1 17 . 1 1 330 330 ALA HA H 330 4.575 4.575 4.569 0.006 17812 5959 1 17 . 1 1 330 330 ALA C C 330 175.000 175.000 175.149 -0.149 17812 5960 1 17 . 1 1 330 330 ALA CA C 330 50.393 50.393 51.199 -0.806 17812 5961 1 17 . 1 1 330 330 ALA CB C 330 19.244 19.244 21.055 -1.812 17812 5962 1 17 . 1 1 330 330 ALA H H 330 7.030 7.030 7.798 -0.768 17812 5963 1 17 . 1 1 331 331 CYS N N 331 118.585 118.585 119.968 -1.383 17812 5964 1 17 . 1 1 331 331 CYS HA H 331 3.587 3.587 4.606 -1.019 17812 5965 1 17 . 1 1 331 331 CYS C C 331 177.953 177.953 175.878 2.075 17812 5966 1 17 . 1 1 331 331 CYS CA C 331 60.241 60.241 59.176 1.065 17812 5967 1 17 . 1 1 331 331 CYS CB C 331 30.524 30.524 27.990 2.534 17812 5968 1 17 . 1 1 331 331 CYS H H 331 7.081 7.081 8.866 -1.785 17812 5969 1 17 . 1 1 332 332 HIS N N 332 127.546 127.546 125.572 1.974 17812 5970 1 17 . 1 1 332 332 HIS HA H 332 4.752 4.752 4.250 0.502 17812 5971 1 17 . 1 1 332 332 HIS C C 332 174.236 174.236 175.744 -1.508 17812 5972 1 17 . 1 1 332 332 HIS CA C 332 56.287 56.287 58.785 -2.498 17812 5973 1 17 . 1 1 332 332 HIS CB C 332 28.769 28.769 29.843 -1.074 17812 5974 1 17 . 1 1 332 332 HIS H H 332 9.757 9.757 8.575 1.182 17812 5975 1 17 . 1 1 333 333 LEU N N 333 118.061 118.061 117.711 0.350 17812 5976 1 17 . 1 1 333 333 LEU HA H 333 4.580 4.580 4.113 0.467 17812 5977 1 17 . 1 1 333 333 LEU C C 333 177.564 177.564 176.937 0.627 17812 5978 1 17 . 1 1 333 333 LEU CA C 333 56.046 56.046 55.972 0.074 17812 5979 1 17 . 1 1 333 333 LEU CB C 333 42.986 42.986 42.632 0.354 17812 5980 1 17 . 1 1 333 333 LEU H H 333 8.773 8.773 7.686 1.087 17812 5981 1 17 . 1 1 334 334 CYS N N 334 118.393 118.393 116.903 1.490 17812 5982 1 17 . 1 1 334 334 CYS HA H 334 5.084 5.084 4.716 0.368 17812 5983 1 17 . 1 1 334 334 CYS C C 334 176.736 176.736 175.968 0.768 17812 5984 1 17 . 1 1 334 334 CYS CA C 334 58.973 58.973 57.434 1.539 17812 5985 1 17 . 1 1 334 334 CYS CB C 334 32.481 32.481 28.865 3.616 17812 5986 1 17 . 1 1 334 334 CYS H H 334 8.310 8.310 8.107 0.203 17812 5987 1 17 . 1 1 335 335 GLY N N 335 115.992 115.992 110.327 5.665 17812 5988 1 17 . 1 1 335 335 GLY C C 335 172.059 172.059 174.231 -2.172 17812 5989 1 17 . 1 1 335 335 GLY CA C 335 45.652 45.652 45.056 0.596 17812 5990 1 17 . 1 1 335 335 GLY H H 335 8.596 8.596 8.811 -0.215 17812 5991 1 17 . 1 1 336 336 GLY N N 336 111.360 111.360 107.112 4.248 17812 5992 1 17 . 1 1 336 336 GLY C C 336 174.101 174.101 174.156 -0.055 17812 5993 1 17 . 1 1 336 336 GLY CA C 336 44.987 44.987 44.553 0.434 17812 5994 1 17 . 1 1 336 336 GLY H H 336 9.594 9.594 7.290 2.304 17812 5995 1 17 . 1 1 337 337 ARG N N 337 118.859 118.859 121.234 -2.375 17812 5996 1 17 . 1 1 337 337 ARG HA H 337 4.413 4.413 4.405 0.008 17812 5997 1 17 . 1 1 337 337 ARG C C 337 177.635 177.635 175.492 2.143 17812 5998 1 17 . 1 1 337 337 ARG CA C 337 55.364 55.364 55.352 0.012 17812 5999 1 17 . 1 1 337 337 ARG CB C 337 31.337 31.337 30.440 0.897 17812 6000 1 17 . 1 1 337 337 ARG H H 337 8.827 8.827 8.624 0.203 17812 6001 1 17 . 1 1 338 338 GLN N N 338 120.950 120.950 119.542 1.408 17812 6002 1 17 . 1 1 338 338 GLN HA H 338 4.376 4.376 4.257 0.119 17812 6003 1 17 . 1 1 338 338 GLN C C 338 176.420 176.420 175.155 1.265 17812 6004 1 17 . 1 1 338 338 GLN CA C 338 55.694 55.694 56.366 -0.672 17812 6005 1 17 . 1 1 338 338 GLN CB C 338 28.096 28.096 29.266 -1.170 17812 6006 1 17 . 1 1 338 338 GLN H H 338 9.568 9.568 7.878 1.690 17812 6007 1 17 . 1 1 339 339 ASP N N 339 117.880 117.880 120.029 -2.149 17812 6008 1 17 . 1 1 339 339 ASP HA H 339 4.625 4.625 4.434 0.191 17812 6009 1 17 . 1 1 339 339 ASP CA C 339 55.283 55.283 54.488 0.795 17812 6010 1 17 . 1 1 339 339 ASP CB C 339 41.092 41.092 39.292 1.800 17812 6011 1 17 . 1 1 339 339 ASP H H 339 9.681 9.681 8.670 1.011 17812 6012 1 17 . 1 1 340 340 PRO HA H 340 4.140 4.140 4.008 0.132 17812 6013 1 17 . 1 1 340 340 PRO C C 340 177.463 177.463 178.017 -0.554 17812 6014 1 17 . 1 1 340 340 PRO CA C 340 65.883 65.883 64.783 1.100 17812 6015 1 17 . 1 1 340 340 PRO CB C 340 30.045 30.045 31.831 -1.786 17812 6016 1 17 . 1 1 341 341 ASP N N 341 115.117 115.117 115.286 -0.169 17812 6017 1 17 . 1 1 341 341 ASP HA H 341 4.642 4.642 4.404 0.238 17812 6018 1 17 . 1 1 341 341 ASP C C 341 175.663 175.663 176.851 -1.188 17812 6019 1 17 . 1 1 341 341 ASP CA C 341 54.735 54.735 56.007 -1.272 17812 6020 1 17 . 1 1 341 341 ASP CB C 341 39.135 39.135 39.481 -0.346 17812 6021 1 17 . 1 1 341 341 ASP H H 341 9.176 9.176 8.720 0.456 17812 6022 1 17 . 1 1 342 342 LYS N N 342 117.582 117.582 117.309 0.273 17812 6023 1 17 . 1 1 342 342 LYS HA H 342 4.351 4.351 4.293 0.058 17812 6024 1 17 . 1 1 342 342 LYS CA C 342 54.496 54.496 55.876 -1.380 17812 6025 1 17 . 1 1 342 342 LYS CB C 342 33.968 33.968 32.656 1.312 17812 6026 1 17 . 1 1 342 342 LYS H H 342 8.056 8.056 7.397 0.659 17812 6027 1 17 . 1 1 343 343 GLN N N 343 119.535 119.535 118.391 1.144 17812 6028 1 17 . 1 1 343 343 GLN HA H 343 4.510 4.510 3.795 0.715 17812 6029 1 17 . 1 1 343 343 GLN C C 343 175.176 175.176 174.977 0.199 17812 6030 1 17 . 1 1 343 343 GLN CA C 343 54.652 54.652 55.669 -1.017 17812 6031 1 17 . 1 1 343 343 GLN CB C 343 29.270 29.270 28.757 0.513 17812 6032 1 17 . 1 1 343 343 GLN H H 343 7.174 7.174 6.927 0.247 17812 6033 1 17 . 1 1 344 344 LEU N N 344 124.836 124.836 126.179 -1.343 17812 6034 1 17 . 1 1 344 344 LEU HA H 344 4.307 4.307 4.562 -0.255 17812 6035 1 17 . 1 1 344 344 LEU CA C 344 53.564 53.564 54.081 -0.517 17812 6036 1 17 . 1 1 344 344 LEU CB C 344 44.381 44.381 44.154 0.227 17812 6037 1 17 . 1 1 344 344 LEU H H 344 8.215 8.215 8.635 -0.420 17812 6038 1 17 . 1 1 345 345 MET N N 345 119.349 119.349 122.632 -3.283 17812 6039 1 17 . 1 1 345 345 MET HA H 345 5.433 5.433 5.351 0.082 17812 6040 1 17 . 1 1 345 345 MET C C 345 175.462 175.462 175.603 -0.141 17812 6041 1 17 . 1 1 345 345 MET CA C 345 52.877 52.877 53.871 -0.994 17812 6042 1 17 . 1 1 345 345 MET CB C 345 32.312 32.312 35.627 -3.314 17812 6043 1 17 . 1 1 345 345 MET H H 345 8.086 8.086 8.107 -0.021 17812 6044 1 17 . 1 1 346 346 CYS N N 346 124.792 124.792 125.134 -0.342 17812 6045 1 17 . 1 1 346 346 CYS HA H 346 4.751 4.751 4.778 -0.027 17812 6046 1 17 . 1 1 346 346 CYS C C 346 177.998 177.998 176.259 1.739 17812 6047 1 17 . 1 1 346 346 CYS CA C 346 60.088 60.088 58.479 1.609 17812 6048 1 17 . 1 1 346 346 CYS CB C 346 32.345 32.345 29.284 3.061 17812 6049 1 17 . 1 1 346 346 CYS H H 346 9.088 9.088 9.078 0.010 17812 6050 1 17 . 1 1 347 347 ASP N N 347 129.440 129.440 128.463 0.977 17812 6051 1 17 . 1 1 347 347 ASP HA H 347 4.624 4.624 4.692 -0.068 17812 6052 1 17 . 1 1 347 347 ASP C C 347 174.755 174.755 178.008 -3.253 17812 6053 1 17 . 1 1 347 347 ASP CA C 347 57.932 57.932 56.764 1.167 17812 6054 1 17 . 1 1 347 347 ASP CB C 347 41.115 41.115 40.910 0.205 17812 6055 1 17 . 1 1 347 347 ASP H H 347 9.154 9.154 8.516 0.638 17812 6056 1 17 . 1 1 348 348 GLU N N 348 124.253 124.253 118.252 6.001 17812 6057 1 17 . 1 1 348 348 GLU HA H 348 4.895 4.895 4.231 0.664 17812 6058 1 17 . 1 1 348 348 GLU C C 348 176.439 176.439 177.473 -1.034 17812 6059 1 17 . 1 1 348 348 GLU CA C 348 58.673 58.673 58.590 0.083 17812 6060 1 17 . 1 1 348 348 GLU CB C 348 30.510 30.510 30.251 0.259 17812 6061 1 17 . 1 1 348 348 GLU H H 348 9.615 9.615 8.763 0.852 17812 6062 1 17 . 1 1 349 349 CYS N N 349 119.153 119.153 115.549 3.604 17812 6063 1 17 . 1 1 349 349 CYS HA H 349 4.778 4.778 4.730 0.048 17812 6064 1 17 . 1 1 349 349 CYS CA C 349 60.216 60.216 58.810 1.406 17812 6065 1 17 . 1 1 349 349 CYS CB C 349 32.008 32.008 28.851 3.157 17812 6066 1 17 . 1 1 349 349 CYS H H 349 8.522 8.522 7.692 0.830 17812 6067 1 17 . 1 1 350 350 ASP N N 350 115.218 115.218 119.613 -4.395 17812 6068 1 17 . 1 1 350 350 ASP HA H 350 4.492 4.492 4.432 0.060 17812 6069 1 17 . 1 1 350 350 ASP CA C 350 55.086 55.086 55.572 -0.486 17812 6070 1 17 . 1 1 350 350 ASP CB C 350 41.386 41.386 38.445 2.941 17812 6071 1 17 . 1 1 350 350 ASP H H 350 7.813 7.813 8.772 -0.959 17812 6072 1 17 . 1 1 351 351 MET N N 351 117.029 117.029 116.974 0.055 17812 6073 1 17 . 1 1 351 351 MET HA H 351 4.520 4.520 4.735 -0.215 17812 6074 1 17 . 1 1 351 351 MET C C 351 173.497 173.497 174.741 -1.244 17812 6075 1 17 . 1 1 351 351 MET CA C 351 54.706 54.706 54.453 0.253 17812 6076 1 17 . 1 1 351 351 MET CB C 351 34.605 34.605 36.719 -2.114 17812 6077 1 17 . 1 1 351 351 MET H H 351 8.162 8.162 7.517 0.645 17812 6078 1 17 . 1 1 352 352 ALA N N 352 123.068 123.068 123.095 -0.027 17812 6079 1 17 . 1 1 352 352 ALA HA H 352 5.528 5.528 5.383 0.145 17812 6080 1 17 . 1 1 352 352 ALA C C 352 177.545 177.545 176.518 1.027 17812 6081 1 17 . 1 1 352 352 ALA CA C 352 49.943 49.943 50.931 -0.988 17812 6082 1 17 . 1 1 352 352 ALA CB C 352 22.111 22.111 20.668 1.443 17812 6083 1 17 . 1 1 352 352 ALA H H 352 8.499 8.499 8.816 -0.317 17812 6084 1 17 . 1 1 353 353 PHE N N 353 116.057 116.057 119.431 -3.374 17812 6085 1 17 . 1 1 353 353 PHE HA H 353 5.106 5.106 4.926 0.180 17812 6086 1 17 . 1 1 353 353 PHE C C 353 176.868 176.868 176.416 0.452 17812 6087 1 17 . 1 1 353 353 PHE CA C 353 56.416 56.416 57.533 -1.117 17812 6088 1 17 . 1 1 353 353 PHE CB C 353 43.111 43.111 43.761 -0.650 17812 6089 1 17 . 1 1 353 353 PHE H H 353 9.164 9.164 8.337 0.827 17812 6090 1 17 . 1 1 354 354 HIS N N 354 124.053 124.053 121.985 2.068 17812 6091 1 17 . 1 1 354 354 HIS HA H 354 4.650 4.650 4.183 0.467 17812 6092 1 17 . 1 1 354 354 HIS C C 354 180.505 180.505 177.040 3.465 17812 6093 1 17 . 1 1 354 354 HIS CA C 354 58.931 58.931 57.948 0.983 17812 6094 1 17 . 1 1 354 354 HIS CB C 354 31.235 31.235 29.835 1.400 17812 6095 1 17 . 1 1 354 354 HIS H H 354 9.388 9.388 9.089 0.299 17812 6096 1 17 . 1 1 355 355 ILE N N 355 115.081 115.081 116.666 -1.585 17812 6097 1 17 . 1 1 355 355 ILE HA H 355 3.928 3.928 3.665 0.263 17812 6098 1 17 . 1 1 355 355 ILE C C 355 175.451 175.451 176.052 -0.601 17812 6099 1 17 . 1 1 355 355 ILE CA C 355 65.726 65.726 64.048 1.678 17812 6100 1 17 . 1 1 355 355 ILE CB C 355 36.292 36.292 36.870 -0.578 17812 6101 1 17 . 1 1 355 355 ILE H H 355 8.568 8.568 8.362 0.206 17812 6102 1 17 . 1 1 356 356 TYR N N 356 110.787 110.787 112.442 -1.655 17812 6103 1 17 . 1 1 356 356 TYR HA H 356 4.801 4.801 4.690 0.111 17812 6104 1 17 . 1 1 356 356 TYR C C 356 177.073 177.073 175.499 1.574 17812 6105 1 17 . 1 1 356 356 TYR CA C 356 55.362 55.362 57.619 -2.257 17812 6106 1 17 . 1 1 356 356 TYR CB C 356 36.767 36.767 38.679 -1.912 17812 6107 1 17 . 1 1 356 356 TYR H H 356 6.117 6.117 7.426 -1.309 17812 6108 1 17 . 1 1 357 357 CYS N N 357 121.584 121.584 117.201 4.383 17812 6109 1 17 . 1 1 357 357 CYS HA H 357 4.537 4.537 3.688 0.849 17812 6110 1 17 . 1 1 357 357 CYS C C 357 174.868 174.868 175.242 -0.374 17812 6111 1 17 . 1 1 357 357 CYS CA C 357 62.349 62.349 59.698 2.651 17812 6112 1 17 . 1 1 357 357 CYS CB C 357 31.087 31.087 26.108 4.979 17812 6113 1 17 . 1 1 357 357 CYS H H 357 7.603 7.603 6.939 0.664 17812 6114 1 17 . 1 1 358 358 LEU N N 358 119.134 119.134 120.711 -1.577 17812 6115 1 17 . 1 1 358 358 LEU HA H 358 4.040 4.040 4.246 -0.206 17812 6116 1 17 . 1 1 358 358 LEU CA C 358 55.465 55.465 54.998 0.467 17812 6117 1 17 . 1 1 358 358 LEU CB C 358 44.020 44.020 42.087 1.933 17812 6118 1 17 . 1 1 358 358 LEU H H 358 6.387 6.387 7.416 -1.029 17812 6119 1 17 . 1 1 359 359 ASP N N 359 117.020 117.020 121.826 -4.806 17812 6120 1 17 . 1 1 359 359 ASP HA H 359 4.985 4.985 4.470 0.515 17812 6121 1 17 . 1 1 359 359 ASP CA C 359 50.354 50.354 56.549 -6.195 17812 6122 1 17 . 1 1 359 359 ASP CB C 359 43.465 43.465 39.904 3.561 17812 6123 1 17 . 1 1 359 359 ASP H H 359 8.167 8.167 8.635 -0.468 17812 6124 1 17 . 1 1 360 360 PRO HA H 360 5.202 5.202 4.487 0.715 17812 6125 1 17 . 1 1 360 360 PRO CA C 360 62.131 62.131 61.638 0.493 17812 6126 1 17 . 1 1 360 360 PRO CB C 360 33.173 33.173 31.414 1.759 17812 6127 1 17 . 1 1 361 361 PRO HA H 361 4.462 4.462 4.588 -0.126 17812 6128 1 17 . 1 1 361 361 PRO C C 361 177.733 177.733 176.801 0.932 17812 6129 1 17 . 1 1 361 361 PRO CA C 361 63.068 63.068 61.874 1.194 17812 6130 1 17 . 1 1 361 361 PRO CB C 361 32.301 32.301 32.689 -0.388 17812 6131 1 17 . 1 1 362 362 LEU N N 362 121.043 121.043 121.028 0.015 17812 6132 1 17 . 1 1 362 362 LEU HA H 362 4.761 4.761 4.422 0.339 17812 6133 1 17 . 1 1 362 362 LEU C C 362 177.392 177.392 178.022 -0.630 17812 6134 1 17 . 1 1 362 362 LEU CA C 362 53.621 53.621 54.750 -1.129 17812 6135 1 17 . 1 1 362 362 LEU CB C 362 43.759 43.759 42.211 1.548 17812 6136 1 17 . 1 1 362 362 LEU H H 362 7.798 7.798 8.266 -0.468 17812 6137 1 17 . 1 1 363 363 SER N N 363 115.324 115.324 116.223 -0.899 17812 6138 1 17 . 1 1 363 363 SER HA H 363 4.377 4.377 4.304 0.073 17812 6139 1 17 . 1 1 363 363 SER C C 363 174.070 174.070 174.199 -0.129 17812 6140 1 17 . 1 1 363 363 SER CA C 363 59.341 59.341 60.100 -0.759 17812 6141 1 17 . 1 1 363 363 SER CB C 363 63.871 63.871 63.640 0.231 17812 6142 1 17 . 1 1 363 363 SER H H 363 8.899 8.899 8.581 0.318 17812 6143 1 17 . 1 1 364 364 SER N N 364 112.898 112.898 114.593 -1.695 17812 6144 1 17 . 1 1 364 364 SER HA H 364 4.451 4.451 4.532 -0.081 17812 6145 1 17 . 1 1 364 364 SER C C 364 173.066 173.066 173.059 0.007 17812 6146 1 17 . 1 1 364 364 SER CA C 364 56.852 56.852 58.047 -1.195 17812 6147 1 17 . 1 1 364 364 SER CB C 364 65.197 65.197 63.795 1.402 17812 6148 1 17 . 1 1 364 364 SER H H 364 7.460 7.460 7.614 -0.154 17812 6149 1 17 . 1 1 365 365 VAL N N 365 123.433 123.433 125.274 -1.841 17812 6150 1 17 . 1 1 365 365 VAL HA H 365 3.820 3.820 4.386 -0.566 17812 6151 1 17 . 1 1 365 365 VAL CA C 365 61.613 61.613 59.003 2.610 17812 6152 1 17 . 1 1 365 365 VAL CB C 365 32.428 32.428 32.563 -0.135 17812 6153 1 17 . 1 1 365 365 VAL H H 365 8.695 8.695 8.321 0.374 17812 6154 1 17 . 1 1 366 366 PRO HA H 366 4.457 4.457 4.656 -0.199 17812 6155 1 17 . 1 1 366 366 PRO C C 366 175.679 175.679 176.319 -0.640 17812 6156 1 17 . 1 1 366 366 PRO CA C 366 63.224 63.224 63.039 0.185 17812 6157 1 17 . 1 1 366 366 PRO CB C 366 32.526 32.526 32.672 -0.146 17812 6158 1 17 . 1 1 367 367 SER N N 367 116.079 116.079 118.804 -2.725 17812 6159 1 17 . 1 1 367 367 SER HA H 367 4.456 4.456 4.443 0.013 17812 6160 1 17 . 1 1 367 367 SER C C 367 174.796 174.796 175.773 -0.977 17812 6161 1 17 . 1 1 367 367 SER CA C 367 58.855 58.855 59.488 -0.633 17812 6162 1 17 . 1 1 367 367 SER CB C 367 64.091 64.091 64.042 0.049 17812 6163 1 17 . 1 1 367 367 SER H H 367 8.648 8.648 8.588 0.060 17812 6164 1 17 . 1 1 368 368 GLU N N 368 122.642 122.642 120.932 1.710 17812 6165 1 17 . 1 1 368 368 GLU HA H 368 4.275 4.275 4.236 0.039 17812 6166 1 17 . 1 1 368 368 GLU CA C 368 57.631 57.631 57.386 0.244 17812 6167 1 17 . 1 1 368 368 GLU CB C 368 30.124 30.124 29.979 0.145 17812 6168 1 17 . 1 1 368 368 GLU H H 368 8.629 8.629 8.602 0.027 17812 6169 1 17 . 1 1 369 369 ASP N N 369 120.686 120.686 120.214 0.472 17812 6170 1 17 . 1 1 369 369 ASP HA H 369 4.332 4.332 4.659 -0.327 17812 6171 1 17 . 1 1 369 369 ASP CA C 369 57.181 57.181 53.489 3.692 17812 6172 1 17 . 1 1 369 369 ASP CB C 369 41.404 41.404 41.516 -0.112 17812 6173 1 17 . 1 1 369 369 ASP H H 369 8.614 8.614 8.127 0.487 17812 6174 1 17 . 1 1 370 370 GLU N N 370 115.631 115.631 119.985 -4.354 17812 6175 1 17 . 1 1 370 370 GLU HA H 370 4.861 4.861 4.460 0.401 17812 6176 1 17 . 1 1 370 370 GLU C C 370 175.047 175.047 175.871 -0.824 17812 6177 1 17 . 1 1 370 370 GLU CA C 370 54.687 54.687 55.520 -0.833 17812 6178 1 17 . 1 1 370 370 GLU CB C 370 32.837 32.837 30.656 2.181 17812 6179 1 17 . 1 1 370 370 GLU H H 370 7.823 7.823 8.430 -0.607 17812 6180 1 17 . 1 1 371 371 TRP N N 371 124.056 124.056 124.027 0.029 17812 6181 1 17 . 1 1 371 371 TRP HA H 371 4.311 4.311 4.694 -0.383 17812 6182 1 17 . 1 1 371 371 TRP C C 371 171.586 171.586 173.708 -2.122 17812 6183 1 17 . 1 1 371 371 TRP CA C 371 59.845 59.845 56.096 3.749 17812 6184 1 17 . 1 1 371 371 TRP CB C 371 31.317 31.317 30.712 0.605 17812 6185 1 17 . 1 1 371 371 TRP H H 371 9.205 9.205 8.305 0.900 17812 6186 1 17 . 1 1 372 372 TYR N N 372 122.933 122.933 122.551 0.382 17812 6187 1 17 . 1 1 372 372 TYR HA H 372 5.217 5.217 4.131 1.086 17812 6188 1 17 . 1 1 372 372 TYR C C 372 173.821 173.821 174.961 -1.140 17812 6189 1 17 . 1 1 372 372 TYR CA C 372 54.963 54.963 55.297 -0.334 17812 6190 1 17 . 1 1 372 372 TYR CB C 372 41.593 41.593 40.103 1.490 17812 6191 1 17 . 1 1 372 372 TYR H H 372 6.907 6.907 7.836 -0.929 17812 6192 1 17 . 1 1 373 373 CYS N N 373 127.647 127.647 119.162 8.485 17812 6193 1 17 . 1 1 373 373 CYS HA H 373 3.530 3.530 3.427 0.103 17812 6194 1 17 . 1 1 373 373 CYS CA C 373 57.539 57.539 55.484 2.054 17812 6195 1 17 . 1 1 373 373 CYS CB C 373 30.549 30.549 26.646 3.903 17812 6196 1 17 . 1 1 373 373 CYS H H 373 9.310 9.310 7.840 1.470 17812 6197 1 17 . 1 1 374 374 PRO HA H 374 3.987 3.987 3.963 0.024 17812 6198 1 17 . 1 1 374 374 PRO C C 374 178.008 178.008 178.618 -0.610 17812 6199 1 17 . 1 1 374 374 PRO CA C 374 65.504 65.504 65.459 0.045 17812 6200 1 17 . 1 1 374 374 PRO CB C 374 32.293 32.293 31.637 0.656 17812 6201 1 17 . 1 1 375 375 GLU N N 375 116.759 116.759 117.703 -0.944 17812 6202 1 17 . 1 1 375 375 GLU HA H 375 4.237 4.237 4.070 0.167 17812 6203 1 17 . 1 1 375 375 GLU C C 375 177.054 177.054 177.890 -0.836 17812 6204 1 17 . 1 1 375 375 GLU CA C 375 58.479 58.479 58.843 -0.364 17812 6205 1 17 . 1 1 375 375 GLU CB C 375 30.939 30.939 29.220 1.719 17812 6206 1 17 . 1 1 375 375 GLU H H 375 8.111 8.111 8.747 -0.636 17812 6207 1 17 . 1 1 376 376 CYS N N 376 122.642 122.642 117.080 5.562 17812 6208 1 17 . 1 1 376 376 CYS HA H 376 4.055 4.055 4.176 -0.121 17812 6209 1 17 . 1 1 376 376 CYS CA C 376 62.498 62.498 61.961 0.537 17812 6210 1 17 . 1 1 376 376 CYS CB C 376 31.379 31.379 27.162 4.218 17812 6211 1 17 . 1 1 376 376 CYS H H 376 8.075 8.075 7.571 0.504 17812 6212 1 17 . 1 1 377 377 ARG N N 377 117.680 117.680 117.860 -0.180 17812 6213 1 17 . 1 1 377 377 ARG HA H 377 3.948 3.948 4.003 -0.055 17812 6214 1 17 . 1 1 377 377 ARG C C 377 56.425 56.425 176.802 -120.377 17812 6215 1 17 . 1 1 377 377 ARG CB C 377 30.678 30.678 30.617 0.061 17812 6216 1 17 . 1 1 377 377 ARG H H 377 7.856 7.856 7.607 0.249 17812 6217 1 17 . 1 1 378 378 ASN N N 378 119.726 119.726 113.290 6.436 17812 6218 1 17 . 1 1 378 378 ASN HA H 378 4.695 4.695 4.416 0.279 17812 6219 1 17 . 1 1 378 378 ASN C C 378 173.554 173.554 174.651 -1.097 17812 6220 1 17 . 1 1 378 378 ASN CA C 378 53.204 53.204 54.917 -1.713 17812 6221 1 17 . 1 1 378 378 ASN CB C 378 39.516 39.516 37.035 2.482 17812 6222 1 17 . 1 1 378 378 ASN H H 378 8.189 8.189 8.359 -0.170 17812 6223 1 18 . 1 1 312 312 GLY N N 312 110.352 110.352 110.343 0.009 17812 6224 1 18 . 1 1 312 312 GLY CA C 312 44.546 44.546 44.291 0.255 17812 6225 1 18 . 1 1 312 312 GLY H H 312 7.809 7.809 8.284 -0.475 17812 6226 1 18 . 1 1 313 313 PRO HA H 313 4.433 4.433 4.464 -0.031 17812 6227 1 18 . 1 1 313 313 PRO CA C 313 62.527 62.527 62.514 0.013 17812 6228 1 18 . 1 1 313 313 PRO CB C 313 31.680 31.680 32.931 -1.251 17812 6229 1 18 . 1 1 314 314 SER N N 314 120.711 120.711 115.106 5.605 17812 6230 1 18 . 1 1 314 314 SER HA H 314 4.331 4.331 4.225 0.106 17812 6231 1 18 . 1 1 314 314 SER C C 314 174.789 174.789 174.697 0.092 17812 6232 1 18 . 1 1 314 314 SER CA C 314 60.627 60.627 60.182 0.445 17812 6233 1 18 . 1 1 314 314 SER CB C 314 63.925 63.925 63.352 0.573 17812 6234 1 18 . 1 1 314 314 SER H H 314 10.435 10.435 8.479 1.956 17812 6235 1 18 . 1 1 315 315 CYS N N 315 125.240 125.240 121.128 4.112 17812 6236 1 18 . 1 1 315 315 CYS HA H 315 4.698 4.698 4.751 -0.053 17812 6237 1 18 . 1 1 315 315 CYS C C 315 176.852 176.852 174.558 2.294 17812 6238 1 18 . 1 1 315 315 CYS CA C 315 58.281 58.281 57.422 0.859 17812 6239 1 18 . 1 1 315 315 CYS CB C 315 32.487 32.487 28.927 3.560 17812 6240 1 18 . 1 1 315 315 CYS H H 315 9.159 9.159 7.926 1.233 17812 6241 1 18 . 1 1 316 316 LYS N N 316 127.250 127.250 125.923 1.327 17812 6242 1 18 . 1 1 316 316 LYS HA H 316 4.005 4.005 4.199 -0.194 17812 6243 1 18 . 1 1 316 316 LYS C C 316 176.341 176.341 177.498 -1.157 17812 6244 1 18 . 1 1 316 316 LYS CA C 316 58.026 58.026 57.821 0.205 17812 6245 1 18 . 1 1 316 316 LYS CB C 316 32.116 32.116 32.236 -0.120 17812 6246 1 18 . 1 1 316 316 LYS H H 316 8.951 8.951 8.667 0.284 17812 6247 1 18 . 1 1 317 317 HIS N N 317 121.622 121.622 119.631 1.991 17812 6248 1 18 . 1 1 317 317 HIS HA H 317 4.367 4.367 4.668 -0.301 17812 6249 1 18 . 1 1 317 317 HIS C C 317 176.348 176.348 177.206 -0.858 17812 6250 1 18 . 1 1 317 317 HIS CA C 317 59.351 59.351 59.362 -0.011 17812 6251 1 18 . 1 1 317 317 HIS CB C 317 31.034 31.034 29.223 1.811 17812 6252 1 18 . 1 1 317 317 HIS H H 317 8.882 8.882 7.514 1.368 17812 6253 1 18 . 1 1 318 318 CYS N N 318 115.222 115.222 118.134 -2.912 17812 6254 1 18 . 1 1 318 318 CYS HA H 318 4.839 4.839 4.268 0.571 17812 6255 1 18 . 1 1 318 318 CYS C C 318 176.909 176.909 176.989 -0.080 17812 6256 1 18 . 1 1 318 318 CYS CA C 318 58.040 58.040 63.104 -5.064 17812 6257 1 18 . 1 1 318 318 CYS CB C 318 31.925 31.925 26.179 5.746 17812 6258 1 18 . 1 1 318 318 CYS H H 318 8.081 8.081 8.124 -0.043 17812 6259 1 18 . 1 1 319 319 LYS N N 319 119.827 119.827 119.854 -0.027 17812 6260 1 18 . 1 1 319 319 LYS HA H 319 3.886 3.886 3.983 -0.097 17812 6261 1 18 . 1 1 319 319 LYS C C 319 174.670 174.670 178.727 -4.057 17812 6262 1 18 . 1 1 319 319 LYS CA C 319 57.728 57.728 59.431 -1.704 17812 6263 1 18 . 1 1 319 319 LYS CB C 319 28.902 28.902 32.107 -3.205 17812 6264 1 18 . 1 1 319 319 LYS H H 319 7.895 7.895 8.210 -0.315 17812 6265 1 18 . 1 1 320 320 ASP N N 320 117.610 117.610 118.625 -1.015 17812 6266 1 18 . 1 1 320 320 ASP HA H 320 4.206 4.206 4.440 -0.234 17812 6267 1 18 . 1 1 320 320 ASP C C 320 174.861 174.861 176.575 -1.714 17812 6268 1 18 . 1 1 320 320 ASP CA C 320 54.551 54.551 56.558 -2.007 17812 6269 1 18 . 1 1 320 320 ASP CB C 320 38.354 38.354 41.046 -2.692 17812 6270 1 18 . 1 1 320 320 ASP H H 320 8.873 8.873 7.737 1.136 17812 6271 1 18 . 1 1 321 321 ASP N N 321 118.813 118.813 115.496 3.317 17812 6272 1 18 . 1 1 321 321 ASP HA H 321 4.595 4.595 4.782 -0.187 17812 6273 1 18 . 1 1 321 321 ASP C C 321 176.386 176.386 176.686 -0.300 17812 6274 1 18 . 1 1 321 321 ASP CA C 321 53.781 53.781 53.108 0.673 17812 6275 1 18 . 1 1 321 321 ASP CB C 321 40.782 40.782 39.415 1.367 17812 6276 1 18 . 1 1 321 321 ASP H H 321 7.212 7.212 7.675 -0.463 17812 6277 1 18 . 1 1 322 322 VAL N N 322 122.228 122.228 116.841 5.387 17812 6278 1 18 . 1 1 322 322 VAL HA H 322 3.866 3.866 3.751 0.115 17812 6279 1 18 . 1 1 322 322 VAL CA C 322 63.885 63.885 64.584 -0.699 17812 6280 1 18 . 1 1 322 322 VAL CB C 322 31.385 31.385 31.720 -0.335 17812 6281 1 18 . 1 1 322 322 VAL H H 322 8.060 8.060 7.923 0.137 17812 6282 1 18 . 1 1 323 323 ASN N N 323 117.787 117.787 116.508 1.279 17812 6283 1 18 . 1 1 323 323 ASN HA H 323 4.710 4.710 4.536 0.174 17812 6284 1 18 . 1 1 323 323 ASN CA C 323 54.065 54.065 54.748 -0.683 17812 6285 1 18 . 1 1 323 323 ASN CB C 323 38.876 38.876 38.372 0.504 17812 6286 1 18 . 1 1 323 323 ASN H H 323 8.486 8.486 8.461 0.025 17812 6287 1 18 . 1 1 324 324 ARG N N 324 120.106 120.106 119.866 0.240 17812 6288 1 18 . 1 1 324 324 ARG HA H 324 4.632 4.632 4.471 0.161 17812 6289 1 18 . 1 1 324 324 ARG C C 324 175.881 175.881 175.351 0.530 17812 6290 1 18 . 1 1 324 324 ARG CA C 324 54.488 54.488 55.028 -0.540 17812 6291 1 18 . 1 1 324 324 ARG CB C 324 32.709 32.709 31.726 0.983 17812 6292 1 18 . 1 1 324 324 ARG H H 324 7.955 7.955 7.587 0.368 17812 6293 1 18 . 1 1 325 325 LEU N N 325 123.983 123.983 121.258 2.725 17812 6294 1 18 . 1 1 325 325 LEU HA H 325 4.422 4.422 4.335 0.087 17812 6295 1 18 . 1 1 325 325 LEU C C 325 177.647 177.647 176.809 0.838 17812 6296 1 18 . 1 1 325 325 LEU CA C 325 54.910 54.910 54.474 0.436 17812 6297 1 18 . 1 1 325 325 LEU CB C 325 42.720 42.720 42.303 0.416 17812 6298 1 18 . 1 1 325 325 LEU H H 325 8.423 8.423 8.250 0.173 17812 6299 1 18 . 1 1 326 326 CYS N N 326 123.693 123.693 124.462 -0.769 17812 6300 1 18 . 1 1 326 326 CYS HA H 326 4.474 4.474 4.635 -0.161 17812 6301 1 18 . 1 1 326 326 CYS C C 326 174.472 174.472 175.933 -1.461 17812 6302 1 18 . 1 1 326 326 CYS CA C 326 60.503 60.503 58.304 2.199 17812 6303 1 18 . 1 1 326 326 CYS CB C 326 32.551 32.551 27.053 5.498 17812 6304 1 18 . 1 1 326 326 CYS H H 326 9.277 9.277 8.928 0.349 17812 6305 1 18 . 1 1 327 327 ARG N N 327 126.881 126.881 126.407 0.474 17812 6306 1 18 . 1 1 327 327 ARG HA H 327 4.579 4.579 4.070 0.509 17812 6307 1 18 . 1 1 327 327 ARG C C 327 175.128 175.128 177.842 -2.714 17812 6308 1 18 . 1 1 327 327 ARG CA C 327 56.522 56.522 58.865 -2.343 17812 6309 1 18 . 1 1 327 327 ARG CB C 327 29.116 29.116 30.208 -1.092 17812 6310 1 18 . 1 1 327 327 ARG H H 327 8.880 8.880 8.709 0.171 17812 6311 1 18 . 1 1 328 328 VAL N N 328 123.112 123.112 117.073 6.039 17812 6312 1 18 . 1 1 328 328 VAL HA H 328 4.139 4.139 3.772 0.367 17812 6313 1 18 . 1 1 328 328 VAL C C 328 176.618 176.618 176.330 0.288 17812 6314 1 18 . 1 1 328 328 VAL CA C 328 65.790 65.790 64.970 0.820 17812 6315 1 18 . 1 1 328 328 VAL CB C 328 32.296 32.296 31.877 0.419 17812 6316 1 18 . 1 1 328 328 VAL H H 328 9.058 9.058 7.899 1.159 17812 6317 1 18 . 1 1 329 329 CYS N N 329 117.822 117.822 118.009 -0.187 17812 6318 1 18 . 1 1 329 329 CYS HA H 329 4.975 4.975 4.603 0.372 17812 6319 1 18 . 1 1 329 329 CYS C C 329 174.466 174.466 173.192 1.274 17812 6320 1 18 . 1 1 329 329 CYS CA C 329 58.446 58.446 57.440 1.006 17812 6321 1 18 . 1 1 329 329 CYS CB C 329 31.850 31.850 25.278 6.572 17812 6322 1 18 . 1 1 329 329 CYS H H 329 8.372 8.372 7.570 0.802 17812 6323 1 18 . 1 1 330 330 ALA N N 330 130.671 130.671 124.523 6.148 17812 6324 1 18 . 1 1 330 330 ALA HA H 330 4.575 4.575 4.525 0.050 17812 6325 1 18 . 1 1 330 330 ALA C C 330 175.000 175.000 175.414 -0.414 17812 6326 1 18 . 1 1 330 330 ALA CA C 330 50.393 50.393 51.088 -0.695 17812 6327 1 18 . 1 1 330 330 ALA CB C 330 19.244 19.244 20.961 -1.717 17812 6328 1 18 . 1 1 330 330 ALA H H 330 7.030 7.030 7.743 -0.713 17812 6329 1 18 . 1 1 331 331 CYS N N 331 118.585 118.585 120.717 -2.132 17812 6330 1 18 . 1 1 331 331 CYS HA H 331 3.587 3.587 4.510 -0.923 17812 6331 1 18 . 1 1 331 331 CYS C C 331 177.953 177.953 176.049 1.904 17812 6332 1 18 . 1 1 331 331 CYS CA C 331 60.241 60.241 59.121 1.120 17812 6333 1 18 . 1 1 331 331 CYS CB C 331 30.524 30.524 27.774 2.750 17812 6334 1 18 . 1 1 331 331 CYS H H 331 7.081 7.081 8.858 -1.777 17812 6335 1 18 . 1 1 332 332 HIS N N 332 127.546 127.546 126.338 1.208 17812 6336 1 18 . 1 1 332 332 HIS HA H 332 4.752 4.752 4.224 0.528 17812 6337 1 18 . 1 1 332 332 HIS C C 332 174.236 174.236 175.522 -1.286 17812 6338 1 18 . 1 1 332 332 HIS CA C 332 56.287 56.287 58.487 -2.200 17812 6339 1 18 . 1 1 332 332 HIS CB C 332 28.769 28.769 30.036 -1.267 17812 6340 1 18 . 1 1 332 332 HIS H H 332 9.757 9.757 8.838 0.919 17812 6341 1 18 . 1 1 333 333 LEU N N 333 118.061 118.061 118.165 -0.104 17812 6342 1 18 . 1 1 333 333 LEU HA H 333 4.580 4.580 4.107 0.473 17812 6343 1 18 . 1 1 333 333 LEU C C 333 177.564 177.564 176.967 0.597 17812 6344 1 18 . 1 1 333 333 LEU CA C 333 56.046 56.046 55.984 0.062 17812 6345 1 18 . 1 1 333 333 LEU CB C 333 42.986 42.986 42.534 0.452 17812 6346 1 18 . 1 1 333 333 LEU H H 333 8.773 8.773 7.766 1.007 17812 6347 1 18 . 1 1 334 334 CYS N N 334 118.393 118.393 116.756 1.637 17812 6348 1 18 . 1 1 334 334 CYS HA H 334 5.084 5.084 4.730 0.354 17812 6349 1 18 . 1 1 334 334 CYS C C 334 176.736 176.736 175.690 1.046 17812 6350 1 18 . 1 1 334 334 CYS CA C 334 58.973 58.973 57.588 1.385 17812 6351 1 18 . 1 1 334 334 CYS CB C 334 32.481 32.481 28.826 3.655 17812 6352 1 18 . 1 1 334 334 CYS H H 334 8.310 8.310 8.015 0.295 17812 6353 1 18 . 1 1 335 335 GLY N N 335 115.992 115.992 109.920 6.072 17812 6354 1 18 . 1 1 335 335 GLY C C 335 172.059 172.059 174.346 -2.287 17812 6355 1 18 . 1 1 335 335 GLY CA C 335 45.652 45.652 45.464 0.188 17812 6356 1 18 . 1 1 335 335 GLY H H 335 8.596 8.596 8.757 -0.161 17812 6357 1 18 . 1 1 336 336 GLY N N 336 111.360 111.360 106.490 4.870 17812 6358 1 18 . 1 1 336 336 GLY C C 336 174.101 174.101 173.902 0.199 17812 6359 1 18 . 1 1 336 336 GLY CA C 336 44.987 44.987 44.621 0.366 17812 6360 1 18 . 1 1 336 336 GLY H H 336 9.594 9.594 7.945 1.649 17812 6361 1 18 . 1 1 337 337 ARG N N 337 118.859 118.859 124.115 -5.256 17812 6362 1 18 . 1 1 337 337 ARG HA H 337 4.413 4.413 4.620 -0.207 17812 6363 1 18 . 1 1 337 337 ARG C C 337 177.635 177.635 176.708 0.927 17812 6364 1 18 . 1 1 337 337 ARG CA C 337 55.364 55.364 55.571 -0.207 17812 6365 1 18 . 1 1 337 337 ARG CB C 337 31.337 31.337 30.209 1.128 17812 6366 1 18 . 1 1 337 337 ARG H H 337 8.827 8.827 8.638 0.189 17812 6367 1 18 . 1 1 338 338 GLN N N 338 120.950 120.950 118.915 2.035 17812 6368 1 18 . 1 1 338 338 GLN HA H 338 4.376 4.376 4.138 0.238 17812 6369 1 18 . 1 1 338 338 GLN C C 338 176.420 176.420 175.891 0.529 17812 6370 1 18 . 1 1 338 338 GLN CA C 338 55.694 55.694 58.168 -2.474 17812 6371 1 18 . 1 1 338 338 GLN CB C 338 28.096 28.096 28.961 -0.865 17812 6372 1 18 . 1 1 338 338 GLN H H 338 9.568 9.568 8.400 1.168 17812 6373 1 18 . 1 1 339 339 ASP N N 339 117.880 117.880 114.454 3.426 17812 6374 1 18 . 1 1 339 339 ASP HA H 339 4.625 4.625 4.951 -0.326 17812 6375 1 18 . 1 1 339 339 ASP CA C 339 55.283 55.283 53.059 2.224 17812 6376 1 18 . 1 1 339 339 ASP CB C 339 41.092 41.092 41.768 -0.676 17812 6377 1 18 . 1 1 339 339 ASP H H 339 9.681 9.681 8.280 1.401 17812 6378 1 18 . 1 1 340 340 PRO HA H 340 4.140 4.140 3.646 0.494 17812 6379 1 18 . 1 1 340 340 PRO C C 340 177.463 177.463 177.919 -0.456 17812 6380 1 18 . 1 1 340 340 PRO CA C 340 65.883 65.883 64.590 1.293 17812 6381 1 18 . 1 1 340 340 PRO CB C 340 30.045 30.045 31.788 -1.743 17812 6382 1 18 . 1 1 341 341 ASP N N 341 115.117 115.117 117.731 -2.614 17812 6383 1 18 . 1 1 341 341 ASP HA H 341 4.642 4.642 4.372 0.270 17812 6384 1 18 . 1 1 341 341 ASP C C 341 175.663 175.663 176.907 -1.244 17812 6385 1 18 . 1 1 341 341 ASP CA C 341 54.735 54.735 56.090 -1.355 17812 6386 1 18 . 1 1 341 341 ASP CB C 341 39.135 39.135 39.615 -0.480 17812 6387 1 18 . 1 1 341 341 ASP H H 341 9.176 9.176 8.710 0.466 17812 6388 1 18 . 1 1 342 342 LYS N N 342 117.582 117.582 116.483 1.099 17812 6389 1 18 . 1 1 342 342 LYS HA H 342 4.351 4.351 4.376 -0.025 17812 6390 1 18 . 1 1 342 342 LYS CA C 342 54.496 54.496 55.668 -1.172 17812 6391 1 18 . 1 1 342 342 LYS CB C 342 33.968 33.968 33.213 0.755 17812 6392 1 18 . 1 1 342 342 LYS H H 342 8.056 8.056 7.391 0.665 17812 6393 1 18 . 1 1 343 343 GLN N N 343 119.535 119.535 118.175 1.360 17812 6394 1 18 . 1 1 343 343 GLN HA H 343 4.510 4.510 4.230 0.280 17812 6395 1 18 . 1 1 343 343 GLN C C 343 175.176 175.176 175.606 -0.430 17812 6396 1 18 . 1 1 343 343 GLN CA C 343 54.652 54.652 55.499 -0.847 17812 6397 1 18 . 1 1 343 343 GLN CB C 343 29.270 29.270 29.065 0.205 17812 6398 1 18 . 1 1 343 343 GLN H H 343 7.174 7.174 7.172 0.002 17812 6399 1 18 . 1 1 344 344 LEU N N 344 124.836 124.836 123.897 0.939 17812 6400 1 18 . 1 1 344 344 LEU HA H 344 4.307 4.307 4.584 -0.277 17812 6401 1 18 . 1 1 344 344 LEU CA C 344 53.564 53.564 54.335 -0.771 17812 6402 1 18 . 1 1 344 344 LEU CB C 344 44.381 44.381 43.633 0.749 17812 6403 1 18 . 1 1 344 344 LEU H H 344 8.215 8.215 8.660 -0.445 17812 6404 1 18 . 1 1 345 345 MET N N 345 119.349 119.349 123.685 -4.336 17812 6405 1 18 . 1 1 345 345 MET HA H 345 5.433 5.433 5.319 0.114 17812 6406 1 18 . 1 1 345 345 MET C C 345 175.462 175.462 175.026 0.436 17812 6407 1 18 . 1 1 345 345 MET CA C 345 52.877 52.877 54.162 -1.285 17812 6408 1 18 . 1 1 345 345 MET CB C 345 32.312 32.312 35.831 -3.519 17812 6409 1 18 . 1 1 345 345 MET H H 345 8.086 8.086 8.257 -0.171 17812 6410 1 18 . 1 1 346 346 CYS N N 346 124.792 124.792 124.128 0.664 17812 6411 1 18 . 1 1 346 346 CYS HA H 346 4.751 4.751 5.205 -0.454 17812 6412 1 18 . 1 1 346 346 CYS C C 346 177.998 177.998 175.906 2.092 17812 6413 1 18 . 1 1 346 346 CYS CA C 346 60.088 60.088 57.344 2.744 17812 6414 1 18 . 1 1 346 346 CYS CB C 346 32.345 32.345 29.833 2.512 17812 6415 1 18 . 1 1 346 346 CYS H H 346 9.088 9.088 8.902 0.186 17812 6416 1 18 . 1 1 347 347 ASP N N 347 129.440 129.440 127.950 1.490 17812 6417 1 18 . 1 1 347 347 ASP HA H 347 4.624 4.624 4.634 -0.010 17812 6418 1 18 . 1 1 347 347 ASP C C 347 174.755 174.755 177.787 -3.032 17812 6419 1 18 . 1 1 347 347 ASP CA C 347 57.932 57.932 56.684 1.248 17812 6420 1 18 . 1 1 347 347 ASP CB C 347 41.115 41.115 41.012 0.103 17812 6421 1 18 . 1 1 347 347 ASP H H 347 9.154 9.154 8.694 0.460 17812 6422 1 18 . 1 1 348 348 GLU N N 348 124.253 124.253 118.396 5.857 17812 6423 1 18 . 1 1 348 348 GLU HA H 348 4.895 4.895 4.253 0.642 17812 6424 1 18 . 1 1 348 348 GLU C C 348 176.439 176.439 177.628 -1.189 17812 6425 1 18 . 1 1 348 348 GLU CA C 348 58.673 58.673 58.575 0.098 17812 6426 1 18 . 1 1 348 348 GLU CB C 348 30.510 30.510 30.315 0.195 17812 6427 1 18 . 1 1 348 348 GLU H H 348 9.615 9.615 8.777 0.838 17812 6428 1 18 . 1 1 349 349 CYS N N 349 119.153 119.153 115.730 3.423 17812 6429 1 18 . 1 1 349 349 CYS HA H 349 4.778 4.778 4.679 0.099 17812 6430 1 18 . 1 1 349 349 CYS CA C 349 60.216 60.216 58.983 1.233 17812 6431 1 18 . 1 1 349 349 CYS CB C 349 32.008 32.008 28.487 3.521 17812 6432 1 18 . 1 1 349 349 CYS H H 349 8.522 8.522 7.723 0.799 17812 6433 1 18 . 1 1 350 350 ASP N N 350 115.218 115.218 119.532 -4.314 17812 6434 1 18 . 1 1 350 350 ASP HA H 350 4.492 4.492 4.388 0.104 17812 6435 1 18 . 1 1 350 350 ASP CA C 350 55.086 55.086 55.393 -0.307 17812 6436 1 18 . 1 1 350 350 ASP CB C 350 41.386 41.386 38.267 3.119 17812 6437 1 18 . 1 1 350 350 ASP H H 350 7.813 7.813 8.668 -0.855 17812 6438 1 18 . 1 1 351 351 MET N N 351 117.029 117.029 115.984 1.045 17812 6439 1 18 . 1 1 351 351 MET HA H 351 4.520 4.520 4.719 -0.199 17812 6440 1 18 . 1 1 351 351 MET C C 351 173.497 173.497 174.762 -1.265 17812 6441 1 18 . 1 1 351 351 MET CA C 351 54.706 54.706 54.278 0.428 17812 6442 1 18 . 1 1 351 351 MET CB C 351 34.605 34.605 36.866 -2.261 17812 6443 1 18 . 1 1 351 351 MET H H 351 8.162 8.162 7.452 0.710 17812 6444 1 18 . 1 1 352 352 ALA N N 352 123.068 123.068 121.893 1.175 17812 6445 1 18 . 1 1 352 352 ALA HA H 352 5.528 5.528 5.708 -0.180 17812 6446 1 18 . 1 1 352 352 ALA C C 352 177.545 177.545 176.398 1.147 17812 6447 1 18 . 1 1 352 352 ALA CA C 352 49.943 49.943 50.441 -0.498 17812 6448 1 18 . 1 1 352 352 ALA CB C 352 22.111 22.111 21.376 0.735 17812 6449 1 18 . 1 1 352 352 ALA H H 352 8.499 8.499 8.500 -0.001 17812 6450 1 18 . 1 1 353 353 PHE N N 353 116.057 116.057 117.846 -1.789 17812 6451 1 18 . 1 1 353 353 PHE HA H 353 5.106 5.106 4.911 0.195 17812 6452 1 18 . 1 1 353 353 PHE C C 353 176.868 176.868 176.786 0.082 17812 6453 1 18 . 1 1 353 353 PHE CA C 353 56.416 56.416 56.941 -0.524 17812 6454 1 18 . 1 1 353 353 PHE CB C 353 43.111 43.111 43.378 -0.267 17812 6455 1 18 . 1 1 353 353 PHE H H 353 9.164 9.164 8.195 0.969 17812 6456 1 18 . 1 1 354 354 HIS N N 354 124.053 124.053 121.589 2.464 17812 6457 1 18 . 1 1 354 354 HIS HA H 354 4.650 4.650 4.275 0.375 17812 6458 1 18 . 1 1 354 354 HIS C C 354 180.505 180.505 176.957 3.548 17812 6459 1 18 . 1 1 354 354 HIS CA C 354 58.931 58.931 56.939 1.992 17812 6460 1 18 . 1 1 354 354 HIS CB C 354 31.235 31.235 29.508 1.727 17812 6461 1 18 . 1 1 354 354 HIS H H 354 9.388 9.388 9.001 0.387 17812 6462 1 18 . 1 1 355 355 ILE N N 355 115.081 115.081 117.638 -2.557 17812 6463 1 18 . 1 1 355 355 ILE HA H 355 3.928 3.928 3.638 0.290 17812 6464 1 18 . 1 1 355 355 ILE C C 355 175.451 175.451 176.156 -0.705 17812 6465 1 18 . 1 1 355 355 ILE CA C 355 65.726 65.726 64.173 1.553 17812 6466 1 18 . 1 1 355 355 ILE CB C 355 36.292 36.292 37.057 -0.765 17812 6467 1 18 . 1 1 355 355 ILE H H 355 8.568 8.568 8.098 0.470 17812 6468 1 18 . 1 1 356 356 TYR N N 356 110.787 110.787 113.462 -2.675 17812 6469 1 18 . 1 1 356 356 TYR HA H 356 4.801 4.801 4.633 0.168 17812 6470 1 18 . 1 1 356 356 TYR C C 356 177.073 177.073 175.572 1.501 17812 6471 1 18 . 1 1 356 356 TYR CA C 356 55.362 55.362 57.779 -2.417 17812 6472 1 18 . 1 1 356 356 TYR CB C 356 36.767 36.767 38.922 -2.155 17812 6473 1 18 . 1 1 356 356 TYR H H 356 6.117 6.117 7.488 -1.371 17812 6474 1 18 . 1 1 357 357 CYS N N 357 121.584 121.584 117.332 4.252 17812 6475 1 18 . 1 1 357 357 CYS HA H 357 4.537 4.537 3.664 0.873 17812 6476 1 18 . 1 1 357 357 CYS C C 357 174.868 174.868 175.470 -0.602 17812 6477 1 18 . 1 1 357 357 CYS CA C 357 62.349 62.349 59.627 2.721 17812 6478 1 18 . 1 1 357 357 CYS CB C 357 31.087 31.087 25.807 5.280 17812 6479 1 18 . 1 1 357 357 CYS H H 357 7.603 7.603 7.314 0.289 17812 6480 1 18 . 1 1 358 358 LEU N N 358 119.134 119.134 120.902 -1.768 17812 6481 1 18 . 1 1 358 358 LEU HA H 358 4.040 4.040 4.225 -0.185 17812 6482 1 18 . 1 1 358 358 LEU CA C 358 55.465 55.465 55.124 0.341 17812 6483 1 18 . 1 1 358 358 LEU CB C 358 44.020 44.020 42.076 1.944 17812 6484 1 18 . 1 1 358 358 LEU H H 358 6.387 6.387 7.465 -1.078 17812 6485 1 18 . 1 1 359 359 ASP N N 359 117.020 117.020 121.404 -4.384 17812 6486 1 18 . 1 1 359 359 ASP HA H 359 4.985 4.985 4.467 0.518 17812 6487 1 18 . 1 1 359 359 ASP CA C 359 50.354 50.354 56.765 -6.411 17812 6488 1 18 . 1 1 359 359 ASP CB C 359 43.465 43.465 39.695 3.770 17812 6489 1 18 . 1 1 359 359 ASP H H 359 8.167 8.167 8.456 -0.289 17812 6490 1 18 . 1 1 360 360 PRO HA H 360 5.202 5.202 4.562 0.640 17812 6491 1 18 . 1 1 360 360 PRO CA C 360 62.131 62.131 62.227 -0.096 17812 6492 1 18 . 1 1 360 360 PRO CB C 360 33.173 33.173 31.066 2.107 17812 6493 1 18 . 1 1 361 361 PRO HA H 361 4.462 4.462 4.580 -0.118 17812 6494 1 18 . 1 1 361 361 PRO C C 361 177.733 177.733 176.987 0.746 17812 6495 1 18 . 1 1 361 361 PRO CA C 361 63.068 63.068 61.914 1.154 17812 6496 1 18 . 1 1 361 361 PRO CB C 361 32.301 32.301 32.807 -0.506 17812 6497 1 18 . 1 1 362 362 LEU N N 362 121.043 121.043 121.133 -0.090 17812 6498 1 18 . 1 1 362 362 LEU HA H 362 4.761 4.761 4.489 0.272 17812 6499 1 18 . 1 1 362 362 LEU C C 362 177.392 177.392 178.679 -1.287 17812 6500 1 18 . 1 1 362 362 LEU CA C 362 53.621 53.621 54.433 -0.812 17812 6501 1 18 . 1 1 362 362 LEU CB C 362 43.759 43.759 42.046 1.713 17812 6502 1 18 . 1 1 362 362 LEU H H 362 7.798 7.798 8.342 -0.544 17812 6503 1 18 . 1 1 363 363 SER N N 363 115.324 115.324 116.960 -1.636 17812 6504 1 18 . 1 1 363 363 SER HA H 363 4.377 4.377 4.293 0.084 17812 6505 1 18 . 1 1 363 363 SER C C 363 174.070 174.070 174.434 -0.364 17812 6506 1 18 . 1 1 363 363 SER CA C 363 59.341 59.341 59.872 -0.531 17812 6507 1 18 . 1 1 363 363 SER CB C 363 63.871 63.871 63.559 0.312 17812 6508 1 18 . 1 1 363 363 SER H H 363 8.899 8.899 8.678 0.221 17812 6509 1 18 . 1 1 364 364 SER N N 364 112.898 112.898 113.685 -0.787 17812 6510 1 18 . 1 1 364 364 SER HA H 364 4.451 4.451 4.645 -0.194 17812 6511 1 18 . 1 1 364 364 SER C C 364 173.066 173.066 172.560 0.506 17812 6512 1 18 . 1 1 364 364 SER CA C 364 56.852 56.852 57.450 -0.598 17812 6513 1 18 . 1 1 364 364 SER CB C 364 65.197 65.197 65.063 0.134 17812 6514 1 18 . 1 1 364 364 SER H H 364 7.460 7.460 7.534 -0.074 17812 6515 1 18 . 1 1 365 365 VAL N N 365 123.433 123.433 121.420 2.013 17812 6516 1 18 . 1 1 365 365 VAL HA H 365 3.820 3.820 4.514 -0.694 17812 6517 1 18 . 1 1 365 365 VAL CA C 365 61.613 61.613 58.705 2.908 17812 6518 1 18 . 1 1 365 365 VAL CB C 365 32.428 32.428 33.613 -1.185 17812 6519 1 18 . 1 1 365 365 VAL H H 365 8.695 8.695 8.232 0.463 17812 6520 1 18 . 1 1 366 366 PRO HA H 366 4.457 4.457 4.663 -0.206 17812 6521 1 18 . 1 1 366 366 PRO C C 366 175.679 175.679 176.140 -0.461 17812 6522 1 18 . 1 1 366 366 PRO CA C 366 63.224 63.224 62.800 0.424 17812 6523 1 18 . 1 1 366 366 PRO CB C 366 32.526 32.526 32.361 0.165 17812 6524 1 18 . 1 1 367 367 SER N N 367 116.079 116.079 118.331 -2.252 17812 6525 1 18 . 1 1 367 367 SER HA H 367 4.456 4.456 4.436 0.020 17812 6526 1 18 . 1 1 367 367 SER C C 367 174.796 174.796 175.929 -1.133 17812 6527 1 18 . 1 1 367 367 SER CA C 367 58.855 58.855 59.338 -0.483 17812 6528 1 18 . 1 1 367 367 SER CB C 367 64.091 64.091 64.062 0.029 17812 6529 1 18 . 1 1 367 367 SER H H 367 8.648 8.648 8.654 -0.006 17812 6530 1 18 . 1 1 368 368 GLU N N 368 122.642 122.642 120.749 1.893 17812 6531 1 18 . 1 1 368 368 GLU HA H 368 4.275 4.275 4.247 0.028 17812 6532 1 18 . 1 1 368 368 GLU CA C 368 57.631 57.631 57.611 0.020 17812 6533 1 18 . 1 1 368 368 GLU CB C 368 30.124 30.124 29.938 0.186 17812 6534 1 18 . 1 1 368 368 GLU H H 368 8.629 8.629 8.585 0.044 17812 6535 1 18 . 1 1 369 369 ASP N N 369 120.686 120.686 120.126 0.560 17812 6536 1 18 . 1 1 369 369 ASP HA H 369 4.332 4.332 4.731 -0.399 17812 6537 1 18 . 1 1 369 369 ASP CA C 369 57.181 57.181 54.171 3.010 17812 6538 1 18 . 1 1 369 369 ASP CB C 369 41.404 41.404 41.290 0.114 17812 6539 1 18 . 1 1 369 369 ASP H H 369 8.614 8.614 8.035 0.579 17812 6540 1 18 . 1 1 370 370 GLU N N 370 115.631 115.631 120.835 -5.204 17812 6541 1 18 . 1 1 370 370 GLU HA H 370 4.861 4.861 4.498 0.363 17812 6542 1 18 . 1 1 370 370 GLU C C 370 175.047 175.047 175.549 -0.502 17812 6543 1 18 . 1 1 370 370 GLU CA C 370 54.687 54.687 55.384 -0.697 17812 6544 1 18 . 1 1 370 370 GLU CB C 370 32.837 32.837 31.166 1.671 17812 6545 1 18 . 1 1 370 370 GLU H H 370 7.823 7.823 8.501 -0.678 17812 6546 1 18 . 1 1 371 371 TRP N N 371 124.056 124.056 124.866 -0.810 17812 6547 1 18 . 1 1 371 371 TRP HA H 371 4.311 4.311 4.817 -0.506 17812 6548 1 18 . 1 1 371 371 TRP C C 371 171.586 171.586 173.309 -1.723 17812 6549 1 18 . 1 1 371 371 TRP CA C 371 59.845 59.845 56.259 3.586 17812 6550 1 18 . 1 1 371 371 TRP CB C 371 31.317 31.317 31.001 0.316 17812 6551 1 18 . 1 1 371 371 TRP H H 371 9.205 9.205 8.747 0.458 17812 6552 1 18 . 1 1 372 372 TYR N N 372 122.933 122.933 122.598 0.335 17812 6553 1 18 . 1 1 372 372 TYR HA H 372 5.217 5.217 4.295 0.922 17812 6554 1 18 . 1 1 372 372 TYR C C 372 173.821 173.821 174.991 -1.170 17812 6555 1 18 . 1 1 372 372 TYR CA C 372 54.963 54.963 56.015 -1.052 17812 6556 1 18 . 1 1 372 372 TYR CB C 372 41.593 41.593 40.747 0.846 17812 6557 1 18 . 1 1 372 372 TYR H H 372 6.907 6.907 7.807 -0.900 17812 6558 1 18 . 1 1 373 373 CYS N N 373 127.647 127.647 122.037 5.610 17812 6559 1 18 . 1 1 373 373 CYS HA H 373 3.530 3.530 3.842 -0.312 17812 6560 1 18 . 1 1 373 373 CYS CA C 373 57.539 57.539 55.937 1.602 17812 6561 1 18 . 1 1 373 373 CYS CB C 373 30.549 30.549 26.755 3.794 17812 6562 1 18 . 1 1 373 373 CYS H H 373 9.310 9.310 8.255 1.055 17812 6563 1 18 . 1 1 374 374 PRO HA H 374 3.987 3.987 4.052 -0.065 17812 6564 1 18 . 1 1 374 374 PRO C C 374 178.008 178.008 178.498 -0.490 17812 6565 1 18 . 1 1 374 374 PRO CA C 374 65.504 65.504 65.456 0.048 17812 6566 1 18 . 1 1 374 374 PRO CB C 374 32.293 32.293 31.765 0.528 17812 6567 1 18 . 1 1 375 375 GLU N N 375 116.759 116.759 117.614 -0.855 17812 6568 1 18 . 1 1 375 375 GLU HA H 375 4.237 4.237 4.143 0.094 17812 6569 1 18 . 1 1 375 375 GLU C C 375 177.054 177.054 178.600 -1.546 17812 6570 1 18 . 1 1 375 375 GLU CA C 375 58.479 58.479 59.171 -0.692 17812 6571 1 18 . 1 1 375 375 GLU CB C 375 30.939 30.939 29.314 1.625 17812 6572 1 18 . 1 1 375 375 GLU H H 375 8.111 8.111 8.893 -0.782 17812 6573 1 18 . 1 1 376 376 CYS N N 376 122.642 122.642 116.566 6.076 17812 6574 1 18 . 1 1 376 376 CYS HA H 376 4.055 4.055 4.361 -0.306 17812 6575 1 18 . 1 1 376 376 CYS CA C 376 62.498 62.498 59.319 3.179 17812 6576 1 18 . 1 1 376 376 CYS CB C 376 31.379 31.379 25.724 5.655 17812 6577 1 18 . 1 1 376 376 CYS H H 376 8.075 8.075 7.703 0.372 17812 6578 1 18 . 1 1 377 377 ARG N N 377 117.680 117.680 120.790 -3.110 17812 6579 1 18 . 1 1 377 377 ARG HA H 377 3.948 3.948 4.092 -0.144 17812 6580 1 18 . 1 1 377 377 ARG C C 377 56.425 56.425 178.032 -121.607 17812 6581 1 18 . 1 1 377 377 ARG CB C 377 30.678 30.678 29.399 1.279 17812 6582 1 18 . 1 1 377 377 ARG H H 377 7.856 7.856 7.717 0.139 17812 6583 1 18 . 1 1 378 378 ASN N N 378 119.726 119.726 116.569 3.157 17812 6584 1 18 . 1 1 378 378 ASN HA H 378 4.695 4.695 4.506 0.189 17812 6585 1 18 . 1 1 378 378 ASN C C 378 173.554 173.554 175.316 -1.762 17812 6586 1 18 . 1 1 378 378 ASN CA C 378 53.204 53.204 54.727 -1.523 17812 6587 1 18 . 1 1 378 378 ASN CB C 378 39.516 39.516 38.214 1.302 17812 6588 1 18 . 1 1 378 378 ASN H H 378 8.189 8.189 7.831 0.358 17812 6589 1 19 . 1 1 312 312 GLY N N 312 110.352 110.352 110.885 -0.533 17812 6590 1 19 . 1 1 312 312 GLY CA C 312 44.546 44.546 44.274 0.272 17812 6591 1 19 . 1 1 312 312 GLY H H 312 7.809 7.809 8.367 -0.558 17812 6592 1 19 . 1 1 313 313 PRO HA H 313 4.433 4.433 4.514 -0.081 17812 6593 1 19 . 1 1 313 313 PRO CA C 313 62.527 62.527 62.710 -0.183 17812 6594 1 19 . 1 1 313 313 PRO CB C 313 31.680 31.680 32.497 -0.817 17812 6595 1 19 . 1 1 314 314 SER N N 314 120.711 120.711 117.206 3.505 17812 6596 1 19 . 1 1 314 314 SER HA H 314 4.331 4.331 4.517 -0.186 17812 6597 1 19 . 1 1 314 314 SER C C 314 174.789 174.789 174.363 0.426 17812 6598 1 19 . 1 1 314 314 SER CA C 314 60.627 60.627 58.746 1.881 17812 6599 1 19 . 1 1 314 314 SER CB C 314 63.925 63.925 63.178 0.747 17812 6600 1 19 . 1 1 314 314 SER H H 314 10.435 10.435 8.393 2.042 17812 6601 1 19 . 1 1 315 315 CYS N N 315 125.240 125.240 125.993 -0.753 17812 6602 1 19 . 1 1 315 315 CYS HA H 315 4.698 4.698 4.779 -0.081 17812 6603 1 19 . 1 1 315 315 CYS C C 315 176.852 176.852 174.894 1.958 17812 6604 1 19 . 1 1 315 315 CYS CA C 315 58.281 58.281 57.880 0.401 17812 6605 1 19 . 1 1 315 315 CYS CB C 315 32.487 32.487 29.447 3.040 17812 6606 1 19 . 1 1 315 315 CYS H H 315 9.159 9.159 8.610 0.549 17812 6607 1 19 . 1 1 316 316 LYS N N 316 127.250 127.250 125.798 1.452 17812 6608 1 19 . 1 1 316 316 LYS HA H 316 4.005 4.005 4.263 -0.258 17812 6609 1 19 . 1 1 316 316 LYS C C 316 176.341 176.341 177.463 -1.122 17812 6610 1 19 . 1 1 316 316 LYS CA C 316 58.026 58.026 57.503 0.523 17812 6611 1 19 . 1 1 316 316 LYS CB C 316 32.116 32.116 32.285 -0.169 17812 6612 1 19 . 1 1 316 316 LYS H H 316 8.951 8.951 8.637 0.314 17812 6613 1 19 . 1 1 317 317 HIS N N 317 121.622 121.622 119.871 1.751 17812 6614 1 19 . 1 1 317 317 HIS HA H 317 4.367 4.367 4.436 -0.069 17812 6615 1 19 . 1 1 317 317 HIS C C 317 176.348 176.348 177.234 -0.886 17812 6616 1 19 . 1 1 317 317 HIS CA C 317 59.351 59.351 59.476 -0.125 17812 6617 1 19 . 1 1 317 317 HIS CB C 317 31.034 31.034 29.331 1.703 17812 6618 1 19 . 1 1 317 317 HIS H H 317 8.882 8.882 7.552 1.330 17812 6619 1 19 . 1 1 318 318 CYS N N 318 115.222 115.222 117.478 -2.256 17812 6620 1 19 . 1 1 318 318 CYS HA H 318 4.839 4.839 4.188 0.651 17812 6621 1 19 . 1 1 318 318 CYS C C 318 176.909 176.909 176.217 0.692 17812 6622 1 19 . 1 1 318 318 CYS CA C 318 58.040 58.040 62.959 -4.919 17812 6623 1 19 . 1 1 318 318 CYS CB C 318 31.925 31.925 26.294 5.631 17812 6624 1 19 . 1 1 318 318 CYS H H 318 8.081 8.081 7.873 0.208 17812 6625 1 19 . 1 1 319 319 LYS N N 319 119.827 119.827 117.854 1.973 17812 6626 1 19 . 1 1 319 319 LYS HA H 319 3.886 3.886 4.023 -0.137 17812 6627 1 19 . 1 1 319 319 LYS C C 319 174.670 174.670 178.808 -4.138 17812 6628 1 19 . 1 1 319 319 LYS CA C 319 57.728 57.728 58.974 -1.246 17812 6629 1 19 . 1 1 319 319 LYS CB C 319 28.902 28.902 32.281 -3.379 17812 6630 1 19 . 1 1 319 319 LYS H H 319 7.895 7.895 8.221 -0.326 17812 6631 1 19 . 1 1 320 320 ASP N N 320 117.610 117.610 119.192 -1.582 17812 6632 1 19 . 1 1 320 320 ASP HA H 320 4.206 4.206 4.455 -0.249 17812 6633 1 19 . 1 1 320 320 ASP C C 320 174.861 174.861 176.705 -1.844 17812 6634 1 19 . 1 1 320 320 ASP CA C 320 54.551 54.551 56.397 -1.846 17812 6635 1 19 . 1 1 320 320 ASP CB C 320 38.354 38.354 41.461 -3.107 17812 6636 1 19 . 1 1 320 320 ASP H H 320 8.873 8.873 7.620 1.253 17812 6637 1 19 . 1 1 321 321 ASP N N 321 118.813 118.813 117.430 1.383 17812 6638 1 19 . 1 1 321 321 ASP HA H 321 4.595 4.595 4.905 -0.310 17812 6639 1 19 . 1 1 321 321 ASP C C 321 176.386 176.386 175.712 0.674 17812 6640 1 19 . 1 1 321 321 ASP CA C 321 53.781 53.781 53.249 0.532 17812 6641 1 19 . 1 1 321 321 ASP CB C 321 40.782 40.782 40.651 0.131 17812 6642 1 19 . 1 1 321 321 ASP H H 321 7.212 7.212 8.002 -0.790 17812 6643 1 19 . 1 1 322 322 VAL N N 322 122.228 122.228 120.525 1.703 17812 6644 1 19 . 1 1 322 322 VAL HA H 322 3.866 3.866 3.734 0.132 17812 6645 1 19 . 1 1 322 322 VAL CA C 322 63.885 63.885 64.609 -0.724 17812 6646 1 19 . 1 1 322 322 VAL CB C 322 31.385 31.385 31.875 -0.490 17812 6647 1 19 . 1 1 322 322 VAL H H 322 8.060 8.060 8.193 -0.133 17812 6648 1 19 . 1 1 323 323 ASN N N 323 117.787 117.787 116.574 1.213 17812 6649 1 19 . 1 1 323 323 ASN HA H 323 4.710 4.710 4.530 0.180 17812 6650 1 19 . 1 1 323 323 ASN CA C 323 54.065 54.065 54.533 -0.468 17812 6651 1 19 . 1 1 323 323 ASN CB C 323 38.876 38.876 38.368 0.508 17812 6652 1 19 . 1 1 323 323 ASN H H 323 8.486 8.486 8.565 -0.079 17812 6653 1 19 . 1 1 324 324 ARG N N 324 120.106 120.106 119.938 0.168 17812 6654 1 19 . 1 1 324 324 ARG HA H 324 4.632 4.632 4.410 0.222 17812 6655 1 19 . 1 1 324 324 ARG C C 324 175.881 175.881 175.469 0.412 17812 6656 1 19 . 1 1 324 324 ARG CA C 324 54.488 54.488 55.265 -0.777 17812 6657 1 19 . 1 1 324 324 ARG CB C 324 32.709 32.709 31.294 1.415 17812 6658 1 19 . 1 1 324 324 ARG H H 324 7.955 7.955 7.516 0.439 17812 6659 1 19 . 1 1 325 325 LEU N N 325 123.983 123.983 122.339 1.644 17812 6660 1 19 . 1 1 325 325 LEU HA H 325 4.422 4.422 4.441 -0.019 17812 6661 1 19 . 1 1 325 325 LEU C C 325 177.647 177.647 176.450 1.197 17812 6662 1 19 . 1 1 325 325 LEU CA C 325 54.910 54.910 54.704 0.206 17812 6663 1 19 . 1 1 325 325 LEU CB C 325 42.720 42.720 42.947 -0.226 17812 6664 1 19 . 1 1 325 325 LEU H H 325 8.423 8.423 8.256 0.167 17812 6665 1 19 . 1 1 326 326 CYS N N 326 123.693 123.693 126.792 -3.099 17812 6666 1 19 . 1 1 326 326 CYS HA H 326 4.474 4.474 4.734 -0.260 17812 6667 1 19 . 1 1 326 326 CYS C C 326 174.472 174.472 175.411 -0.939 17812 6668 1 19 . 1 1 326 326 CYS CA C 326 60.503 60.503 57.958 2.545 17812 6669 1 19 . 1 1 326 326 CYS CB C 326 32.551 32.551 27.607 4.944 17812 6670 1 19 . 1 1 326 326 CYS H H 326 9.277 9.277 8.745 0.532 17812 6671 1 19 . 1 1 327 327 ARG N N 327 126.881 126.881 125.914 0.967 17812 6672 1 19 . 1 1 327 327 ARG HA H 327 4.579 4.579 4.079 0.500 17812 6673 1 19 . 1 1 327 327 ARG C C 327 175.128 175.128 177.712 -2.584 17812 6674 1 19 . 1 1 327 327 ARG CA C 327 56.522 56.522 58.526 -2.004 17812 6675 1 19 . 1 1 327 327 ARG CB C 327 29.116 29.116 30.336 -1.220 17812 6676 1 19 . 1 1 327 327 ARG H H 327 8.880 8.880 8.667 0.213 17812 6677 1 19 . 1 1 328 328 VAL N N 328 123.112 123.112 118.176 4.936 17812 6678 1 19 . 1 1 328 328 VAL HA H 328 4.139 4.139 3.789 0.350 17812 6679 1 19 . 1 1 328 328 VAL C C 328 176.618 176.618 176.540 0.078 17812 6680 1 19 . 1 1 328 328 VAL CA C 328 65.790 65.790 65.269 0.521 17812 6681 1 19 . 1 1 328 328 VAL CB C 328 32.296 32.296 31.909 0.387 17812 6682 1 19 . 1 1 328 328 VAL H H 328 9.058 9.058 7.909 1.149 17812 6683 1 19 . 1 1 329 329 CYS N N 329 117.822 117.822 118.642 -0.820 17812 6684 1 19 . 1 1 329 329 CYS HA H 329 4.975 4.975 4.492 0.483 17812 6685 1 19 . 1 1 329 329 CYS C C 329 174.466 174.466 173.130 1.336 17812 6686 1 19 . 1 1 329 329 CYS CA C 329 58.446 58.446 57.649 0.797 17812 6687 1 19 . 1 1 329 329 CYS CB C 329 31.850 31.850 24.854 6.996 17812 6688 1 19 . 1 1 329 329 CYS H H 329 8.372 8.372 7.690 0.682 17812 6689 1 19 . 1 1 330 330 ALA N N 330 130.671 130.671 123.558 7.113 17812 6690 1 19 . 1 1 330 330 ALA HA H 330 4.575 4.575 4.603 -0.028 17812 6691 1 19 . 1 1 330 330 ALA C C 330 175.000 175.000 175.577 -0.577 17812 6692 1 19 . 1 1 330 330 ALA CA C 330 50.393 50.393 50.770 -0.377 17812 6693 1 19 . 1 1 330 330 ALA CB C 330 19.244 19.244 21.085 -1.841 17812 6694 1 19 . 1 1 330 330 ALA H H 330 7.030 7.030 7.419 -0.389 17812 6695 1 19 . 1 1 331 331 CYS N N 331 118.585 118.585 119.000 -0.415 17812 6696 1 19 . 1 1 331 331 CYS HA H 331 3.587 3.587 4.522 -0.935 17812 6697 1 19 . 1 1 331 331 CYS C C 331 177.953 177.953 176.315 1.638 17812 6698 1 19 . 1 1 331 331 CYS CA C 331 60.241 60.241 58.296 1.945 17812 6699 1 19 . 1 1 331 331 CYS CB C 331 30.524 30.524 26.411 4.113 17812 6700 1 19 . 1 1 331 331 CYS H H 331 7.081 7.081 8.508 -1.427 17812 6701 1 19 . 1 1 332 332 HIS N N 332 127.546 127.546 123.337 4.209 17812 6702 1 19 . 1 1 332 332 HIS HA H 332 4.752 4.752 4.123 0.629 17812 6703 1 19 . 1 1 332 332 HIS C C 332 174.236 174.236 175.675 -1.439 17812 6704 1 19 . 1 1 332 332 HIS CA C 332 56.287 56.287 58.480 -2.193 17812 6705 1 19 . 1 1 332 332 HIS CB C 332 28.769 28.769 29.948 -1.179 17812 6706 1 19 . 1 1 332 332 HIS H H 332 9.757 9.757 8.235 1.522 17812 6707 1 19 . 1 1 333 333 LEU N N 333 118.061 118.061 117.351 0.710 17812 6708 1 19 . 1 1 333 333 LEU HA H 333 4.580 4.580 3.993 0.587 17812 6709 1 19 . 1 1 333 333 LEU C C 333 177.564 177.564 176.628 0.936 17812 6710 1 19 . 1 1 333 333 LEU CA C 333 56.046 56.046 54.863 1.183 17812 6711 1 19 . 1 1 333 333 LEU CB C 333 42.986 42.986 41.828 1.158 17812 6712 1 19 . 1 1 333 333 LEU H H 333 8.773 8.773 8.122 0.651 17812 6713 1 19 . 1 1 334 334 CYS N N 334 118.393 118.393 118.261 0.132 17812 6714 1 19 . 1 1 334 334 CYS HA H 334 5.084 5.084 4.347 0.737 17812 6715 1 19 . 1 1 334 334 CYS C C 334 176.736 176.736 176.276 0.460 17812 6716 1 19 . 1 1 334 334 CYS CA C 334 58.973 58.973 58.347 0.626 17812 6717 1 19 . 1 1 334 334 CYS CB C 334 32.481 32.481 28.283 4.198 17812 6718 1 19 . 1 1 334 334 CYS H H 334 8.310 8.310 8.129 0.181 17812 6719 1 19 . 1 1 335 335 GLY N N 335 115.992 115.992 113.882 2.110 17812 6720 1 19 . 1 1 335 335 GLY C C 335 172.059 172.059 174.748 -2.689 17812 6721 1 19 . 1 1 335 335 GLY CA C 335 45.652 45.652 44.384 1.268 17812 6722 1 19 . 1 1 335 335 GLY H H 335 8.596 8.596 8.493 0.103 17812 6723 1 19 . 1 1 336 336 GLY N N 336 111.360 111.360 109.098 2.262 17812 6724 1 19 . 1 1 336 336 GLY C C 336 174.101 174.101 174.615 -0.514 17812 6725 1 19 . 1 1 336 336 GLY CA C 336 44.987 44.987 45.049 -0.062 17812 6726 1 19 . 1 1 336 336 GLY H H 336 9.594 9.594 7.735 1.859 17812 6727 1 19 . 1 1 337 337 ARG N N 337 118.859 118.859 120.054 -1.195 17812 6728 1 19 . 1 1 337 337 ARG HA H 337 4.413 4.413 3.990 0.423 17812 6729 1 19 . 1 1 337 337 ARG C C 337 177.635 177.635 174.676 2.959 17812 6730 1 19 . 1 1 337 337 ARG CA C 337 55.364 55.364 56.979 -1.615 17812 6731 1 19 . 1 1 337 337 ARG CB C 337 31.337 31.337 29.124 2.213 17812 6732 1 19 . 1 1 337 337 ARG H H 337 8.827 8.827 7.692 1.135 17812 6733 1 19 . 1 1 338 338 GLN N N 338 120.950 120.950 120.040 0.910 17812 6734 1 19 . 1 1 338 338 GLN HA H 338 4.376 4.376 4.530 -0.154 17812 6735 1 19 . 1 1 338 338 GLN C C 338 176.420 176.420 174.116 2.304 17812 6736 1 19 . 1 1 338 338 GLN CA C 338 55.694 55.694 54.857 0.837 17812 6737 1 19 . 1 1 338 338 GLN CB C 338 28.096 28.096 31.674 -3.578 17812 6738 1 19 . 1 1 338 338 GLN H H 338 9.568 9.568 8.018 1.550 17812 6739 1 19 . 1 1 339 339 ASP N N 339 117.880 117.880 119.901 -2.021 17812 6740 1 19 . 1 1 339 339 ASP HA H 339 4.625 4.625 4.452 0.173 17812 6741 1 19 . 1 1 339 339 ASP CA C 339 55.283 55.283 54.567 0.716 17812 6742 1 19 . 1 1 339 339 ASP CB C 339 41.092 41.092 39.554 1.538 17812 6743 1 19 . 1 1 339 339 ASP H H 339 9.681 9.681 8.771 0.910 17812 6744 1 19 . 1 1 340 340 PRO HA H 340 4.140 4.140 4.013 0.127 17812 6745 1 19 . 1 1 340 340 PRO C C 340 177.463 177.463 177.986 -0.523 17812 6746 1 19 . 1 1 340 340 PRO CA C 340 65.883 65.883 64.801 1.082 17812 6747 1 19 . 1 1 340 340 PRO CB C 340 30.045 30.045 31.798 -1.753 17812 6748 1 19 . 1 1 341 341 ASP N N 341 115.117 115.117 116.056 -0.939 17812 6749 1 19 . 1 1 341 341 ASP HA H 341 4.642 4.642 4.365 0.277 17812 6750 1 19 . 1 1 341 341 ASP C C 341 175.663 175.663 176.931 -1.268 17812 6751 1 19 . 1 1 341 341 ASP CA C 341 54.735 54.735 56.105 -1.370 17812 6752 1 19 . 1 1 341 341 ASP CB C 341 39.135 39.135 39.599 -0.464 17812 6753 1 19 . 1 1 341 341 ASP H H 341 9.176 9.176 8.775 0.401 17812 6754 1 19 . 1 1 342 342 LYS N N 342 117.582 117.582 116.507 1.075 17812 6755 1 19 . 1 1 342 342 LYS HA H 342 4.351 4.351 4.333 0.018 17812 6756 1 19 . 1 1 342 342 LYS CA C 342 54.496 54.496 55.714 -1.218 17812 6757 1 19 . 1 1 342 342 LYS CB C 342 33.968 33.968 32.976 0.992 17812 6758 1 19 . 1 1 342 342 LYS H H 342 8.056 8.056 7.459 0.597 17812 6759 1 19 . 1 1 343 343 GLN N N 343 119.535 119.535 120.018 -0.483 17812 6760 1 19 . 1 1 343 343 GLN HA H 343 4.510 4.510 3.367 1.143 17812 6761 1 19 . 1 1 343 343 GLN C C 343 175.176 175.176 174.885 0.291 17812 6762 1 19 . 1 1 343 343 GLN CA C 343 54.652 54.652 55.497 -0.845 17812 6763 1 19 . 1 1 343 343 GLN CB C 343 29.270 29.270 28.809 0.461 17812 6764 1 19 . 1 1 343 343 GLN H H 343 7.174 7.174 7.085 0.089 17812 6765 1 19 . 1 1 344 344 LEU N N 344 124.836 124.836 128.681 -3.845 17812 6766 1 19 . 1 1 344 344 LEU HA H 344 4.307 4.307 4.438 -0.131 17812 6767 1 19 . 1 1 344 344 LEU CA C 344 53.564 53.564 54.043 -0.479 17812 6768 1 19 . 1 1 344 344 LEU CB C 344 44.381 44.381 43.689 0.692 17812 6769 1 19 . 1 1 344 344 LEU H H 344 8.215 8.215 8.579 -0.364 17812 6770 1 19 . 1 1 345 345 MET N N 345 119.349 119.349 122.757 -3.408 17812 6771 1 19 . 1 1 345 345 MET HA H 345 5.433 5.433 5.333 0.100 17812 6772 1 19 . 1 1 345 345 MET C C 345 175.462 175.462 175.420 0.042 17812 6773 1 19 . 1 1 345 345 MET CA C 345 52.877 52.877 53.791 -0.914 17812 6774 1 19 . 1 1 345 345 MET CB C 345 32.312 32.312 36.175 -3.863 17812 6775 1 19 . 1 1 345 345 MET H H 345 8.086 8.086 8.129 -0.043 17812 6776 1 19 . 1 1 346 346 CYS N N 346 124.792 124.792 124.817 -0.025 17812 6777 1 19 . 1 1 346 346 CYS HA H 346 4.751 4.751 4.806 -0.055 17812 6778 1 19 . 1 1 346 346 CYS C C 346 177.998 177.998 175.993 2.005 17812 6779 1 19 . 1 1 346 346 CYS CA C 346 60.088 60.088 58.243 1.845 17812 6780 1 19 . 1 1 346 346 CYS CB C 346 32.345 32.345 29.001 3.344 17812 6781 1 19 . 1 1 346 346 CYS H H 346 9.088 9.088 9.153 -0.065 17812 6782 1 19 . 1 1 347 347 ASP N N 347 129.440 129.440 128.347 1.093 17812 6783 1 19 . 1 1 347 347 ASP HA H 347 4.624 4.624 4.614 0.010 17812 6784 1 19 . 1 1 347 347 ASP C C 347 174.755 174.755 177.704 -2.949 17812 6785 1 19 . 1 1 347 347 ASP CA C 347 57.932 57.932 56.605 1.327 17812 6786 1 19 . 1 1 347 347 ASP CB C 347 41.115 41.115 40.887 0.228 17812 6787 1 19 . 1 1 347 347 ASP H H 347 9.154 9.154 8.855 0.299 17812 6788 1 19 . 1 1 348 348 GLU N N 348 124.253 124.253 118.184 6.069 17812 6789 1 19 . 1 1 348 348 GLU HA H 348 4.895 4.895 4.226 0.669 17812 6790 1 19 . 1 1 348 348 GLU C C 348 176.439 176.439 177.369 -0.930 17812 6791 1 19 . 1 1 348 348 GLU CA C 348 58.673 58.673 58.510 0.163 17812 6792 1 19 . 1 1 348 348 GLU CB C 348 30.510 30.510 30.087 0.423 17812 6793 1 19 . 1 1 348 348 GLU H H 348 9.615 9.615 8.784 0.831 17812 6794 1 19 . 1 1 349 349 CYS N N 349 119.153 119.153 115.801 3.352 17812 6795 1 19 . 1 1 349 349 CYS HA H 349 4.778 4.778 4.735 0.043 17812 6796 1 19 . 1 1 349 349 CYS CA C 349 60.216 60.216 58.432 1.784 17812 6797 1 19 . 1 1 349 349 CYS CB C 349 32.008 32.008 28.528 3.480 17812 6798 1 19 . 1 1 349 349 CYS H H 349 8.522 8.522 7.696 0.826 17812 6799 1 19 . 1 1 350 350 ASP N N 350 115.218 115.218 119.461 -4.243 17812 6800 1 19 . 1 1 350 350 ASP HA H 350 4.492 4.492 4.413 0.079 17812 6801 1 19 . 1 1 350 350 ASP CA C 350 55.086 55.086 55.541 -0.455 17812 6802 1 19 . 1 1 350 350 ASP CB C 350 41.386 41.386 38.385 3.001 17812 6803 1 19 . 1 1 350 350 ASP H H 350 7.813 7.813 8.745 -0.932 17812 6804 1 19 . 1 1 351 351 MET N N 351 117.029 117.029 116.802 0.227 17812 6805 1 19 . 1 1 351 351 MET HA H 351 4.520 4.520 4.808 -0.288 17812 6806 1 19 . 1 1 351 351 MET C C 351 173.497 173.497 174.827 -1.330 17812 6807 1 19 . 1 1 351 351 MET CA C 351 54.706 54.706 54.527 0.179 17812 6808 1 19 . 1 1 351 351 MET CB C 351 34.605 34.605 36.616 -2.011 17812 6809 1 19 . 1 1 351 351 MET H H 351 8.162 8.162 7.543 0.619 17812 6810 1 19 . 1 1 352 352 ALA N N 352 123.068 123.068 123.112 -0.044 17812 6811 1 19 . 1 1 352 352 ALA HA H 352 5.528 5.528 5.631 -0.103 17812 6812 1 19 . 1 1 352 352 ALA C C 352 177.545 177.545 176.728 0.817 17812 6813 1 19 . 1 1 352 352 ALA CA C 352 49.943 49.943 50.544 -0.601 17812 6814 1 19 . 1 1 352 352 ALA CB C 352 22.111 22.111 21.144 0.967 17812 6815 1 19 . 1 1 352 352 ALA H H 352 8.499 8.499 8.706 -0.207 17812 6816 1 19 . 1 1 353 353 PHE N N 353 116.057 116.057 118.659 -2.602 17812 6817 1 19 . 1 1 353 353 PHE HA H 353 5.106 5.106 4.999 0.107 17812 6818 1 19 . 1 1 353 353 PHE C C 353 176.868 176.868 176.550 0.318 17812 6819 1 19 . 1 1 353 353 PHE CA C 353 56.416 56.416 57.374 -0.958 17812 6820 1 19 . 1 1 353 353 PHE CB C 353 43.111 43.111 43.688 -0.577 17812 6821 1 19 . 1 1 353 353 PHE H H 353 9.164 9.164 8.316 0.848 17812 6822 1 19 . 1 1 354 354 HIS N N 354 124.053 124.053 122.976 1.077 17812 6823 1 19 . 1 1 354 354 HIS HA H 354 4.650 4.650 4.039 0.611 17812 6824 1 19 . 1 1 354 354 HIS C C 354 180.505 180.505 176.706 3.799 17812 6825 1 19 . 1 1 354 354 HIS CA C 354 58.931 58.931 58.662 0.269 17812 6826 1 19 . 1 1 354 354 HIS CB C 354 31.235 31.235 29.432 1.803 17812 6827 1 19 . 1 1 354 354 HIS H H 354 9.388 9.388 9.045 0.343 17812 6828 1 19 . 1 1 355 355 ILE N N 355 115.081 115.081 118.305 -3.224 17812 6829 1 19 . 1 1 355 355 ILE HA H 355 3.928 3.928 3.720 0.208 17812 6830 1 19 . 1 1 355 355 ILE C C 355 175.451 175.451 176.282 -0.831 17812 6831 1 19 . 1 1 355 355 ILE CA C 355 65.726 65.726 64.255 1.470 17812 6832 1 19 . 1 1 355 355 ILE CB C 355 36.292 36.292 37.156 -0.864 17812 6833 1 19 . 1 1 355 355 ILE H H 355 8.568 8.568 8.217 0.351 17812 6834 1 19 . 1 1 356 356 TYR N N 356 110.787 110.787 112.591 -1.804 17812 6835 1 19 . 1 1 356 356 TYR HA H 356 4.801 4.801 4.580 0.221 17812 6836 1 19 . 1 1 356 356 TYR C C 356 177.073 177.073 175.866 1.207 17812 6837 1 19 . 1 1 356 356 TYR CA C 356 55.362 55.362 57.812 -2.450 17812 6838 1 19 . 1 1 356 356 TYR CB C 356 36.767 36.767 38.246 -1.479 17812 6839 1 19 . 1 1 356 356 TYR H H 356 6.117 6.117 7.504 -1.387 17812 6840 1 19 . 1 1 357 357 CYS N N 357 121.584 121.584 118.303 3.281 17812 6841 1 19 . 1 1 357 357 CYS HA H 357 4.537 4.537 3.837 0.700 17812 6842 1 19 . 1 1 357 357 CYS C C 357 174.868 174.868 175.335 -0.467 17812 6843 1 19 . 1 1 357 357 CYS CA C 357 62.349 62.349 58.792 3.557 17812 6844 1 19 . 1 1 357 357 CYS CB C 357 31.087 31.087 26.402 4.685 17812 6845 1 19 . 1 1 357 357 CYS H H 357 7.603 7.603 6.756 0.847 17812 6846 1 19 . 1 1 358 358 LEU N N 358 119.134 119.134 121.490 -2.356 17812 6847 1 19 . 1 1 358 358 LEU HA H 358 4.040 4.040 4.377 -0.337 17812 6848 1 19 . 1 1 358 358 LEU CA C 358 55.465 55.465 55.134 0.331 17812 6849 1 19 . 1 1 358 358 LEU CB C 358 44.020 44.020 42.176 1.844 17812 6850 1 19 . 1 1 358 358 LEU H H 358 6.387 6.387 7.588 -1.201 17812 6851 1 19 . 1 1 359 359 ASP N N 359 117.020 117.020 121.778 -4.758 17812 6852 1 19 . 1 1 359 359 ASP HA H 359 4.985 4.985 4.498 0.487 17812 6853 1 19 . 1 1 359 359 ASP CA C 359 50.354 50.354 56.669 -6.314 17812 6854 1 19 . 1 1 359 359 ASP CB C 359 43.465 43.465 39.663 3.802 17812 6855 1 19 . 1 1 359 359 ASP H H 359 8.167 8.167 8.504 -0.337 17812 6856 1 19 . 1 1 360 360 PRO HA H 360 5.202 5.202 4.578 0.624 17812 6857 1 19 . 1 1 360 360 PRO CA C 360 62.131 62.131 62.113 0.018 17812 6858 1 19 . 1 1 360 360 PRO CB C 360 33.173 33.173 31.276 1.897 17812 6859 1 19 . 1 1 361 361 PRO HA H 361 4.462 4.462 4.558 -0.096 17812 6860 1 19 . 1 1 361 361 PRO C C 361 177.733 177.733 177.019 0.714 17812 6861 1 19 . 1 1 361 361 PRO CA C 361 63.068 63.068 61.907 1.161 17812 6862 1 19 . 1 1 361 361 PRO CB C 361 32.301 32.301 32.860 -0.559 17812 6863 1 19 . 1 1 362 362 LEU N N 362 121.043 121.043 121.424 -0.381 17812 6864 1 19 . 1 1 362 362 LEU HA H 362 4.761 4.761 4.445 0.316 17812 6865 1 19 . 1 1 362 362 LEU C C 362 177.392 177.392 177.823 -0.431 17812 6866 1 19 . 1 1 362 362 LEU CA C 362 53.621 53.621 54.684 -1.063 17812 6867 1 19 . 1 1 362 362 LEU CB C 362 43.759 43.759 42.111 1.648 17812 6868 1 19 . 1 1 362 362 LEU H H 362 7.798 7.798 8.348 -0.550 17812 6869 1 19 . 1 1 363 363 SER N N 363 115.324 115.324 116.753 -1.429 17812 6870 1 19 . 1 1 363 363 SER HA H 363 4.377 4.377 4.314 0.063 17812 6871 1 19 . 1 1 363 363 SER C C 363 174.070 174.070 174.853 -0.783 17812 6872 1 19 . 1 1 363 363 SER CA C 363 59.341 59.341 60.035 -0.694 17812 6873 1 19 . 1 1 363 363 SER CB C 363 63.871 63.871 63.654 0.217 17812 6874 1 19 . 1 1 363 363 SER H H 363 8.899 8.899 8.650 0.249 17812 6875 1 19 . 1 1 364 364 SER N N 364 112.898 112.898 116.419 -3.521 17812 6876 1 19 . 1 1 364 364 SER HA H 364 4.451 4.451 4.656 -0.205 17812 6877 1 19 . 1 1 364 364 SER C C 364 173.066 173.066 173.011 0.055 17812 6878 1 19 . 1 1 364 364 SER CA C 364 56.852 56.852 57.795 -0.943 17812 6879 1 19 . 1 1 364 364 SER CB C 364 65.197 65.197 65.364 -0.167 17812 6880 1 19 . 1 1 364 364 SER H H 364 7.460 7.460 7.838 -0.378 17812 6881 1 19 . 1 1 365 365 VAL N N 365 123.433 123.433 123.944 -0.511 17812 6882 1 19 . 1 1 365 365 VAL HA H 365 3.820 3.820 4.458 -0.638 17812 6883 1 19 . 1 1 365 365 VAL CA C 365 61.613 61.613 59.222 2.391 17812 6884 1 19 . 1 1 365 365 VAL CB C 365 32.428 32.428 33.297 -0.869 17812 6885 1 19 . 1 1 365 365 VAL H H 365 8.695 8.695 8.132 0.563 17812 6886 1 19 . 1 1 366 366 PRO HA H 366 4.457 4.457 4.711 -0.254 17812 6887 1 19 . 1 1 366 366 PRO C C 366 175.679 175.679 175.973 -0.294 17812 6888 1 19 . 1 1 366 366 PRO CA C 366 63.224 63.224 62.727 0.497 17812 6889 1 19 . 1 1 366 366 PRO CB C 366 32.526 32.526 32.475 0.051 17812 6890 1 19 . 1 1 367 367 SER N N 367 116.079 116.079 118.404 -2.325 17812 6891 1 19 . 1 1 367 367 SER HA H 367 4.456 4.456 4.381 0.075 17812 6892 1 19 . 1 1 367 367 SER C C 367 174.796 174.796 175.821 -1.025 17812 6893 1 19 . 1 1 367 367 SER CA C 367 58.855 58.855 58.328 0.527 17812 6894 1 19 . 1 1 367 367 SER CB C 367 64.091 64.091 63.801 0.290 17812 6895 1 19 . 1 1 367 367 SER H H 367 8.648 8.648 8.574 0.074 17812 6896 1 19 . 1 1 368 368 GLU N N 368 122.642 122.642 121.150 1.492 17812 6897 1 19 . 1 1 368 368 GLU HA H 368 4.275 4.275 4.211 0.064 17812 6898 1 19 . 1 1 368 368 GLU CA C 368 57.631 57.631 57.648 -0.017 17812 6899 1 19 . 1 1 368 368 GLU CB C 368 30.124 30.124 30.065 0.059 17812 6900 1 19 . 1 1 368 368 GLU H H 368 8.629 8.629 8.606 0.023 17812 6901 1 19 . 1 1 369 369 ASP N N 369 120.686 120.686 120.166 0.520 17812 6902 1 19 . 1 1 369 369 ASP HA H 369 4.332 4.332 4.735 -0.403 17812 6903 1 19 . 1 1 369 369 ASP CA C 369 57.181 57.181 53.971 3.210 17812 6904 1 19 . 1 1 369 369 ASP CB C 369 41.404 41.404 41.369 0.035 17812 6905 1 19 . 1 1 369 369 ASP H H 369 8.614 8.614 8.019 0.595 17812 6906 1 19 . 1 1 370 370 GLU N N 370 115.631 115.631 120.523 -4.892 17812 6907 1 19 . 1 1 370 370 GLU HA H 370 4.861 4.861 4.463 0.398 17812 6908 1 19 . 1 1 370 370 GLU C C 370 175.047 175.047 176.010 -0.963 17812 6909 1 19 . 1 1 370 370 GLU CA C 370 54.687 54.687 55.633 -0.945 17812 6910 1 19 . 1 1 370 370 GLU CB C 370 32.837 32.837 30.625 2.212 17812 6911 1 19 . 1 1 370 370 GLU H H 370 7.823 7.823 8.426 -0.603 17812 6912 1 19 . 1 1 371 371 TRP N N 371 124.056 124.056 123.650 0.406 17812 6913 1 19 . 1 1 371 371 TRP HA H 371 4.311 4.311 4.711 -0.400 17812 6914 1 19 . 1 1 371 371 TRP C C 371 171.586 171.586 173.746 -2.160 17812 6915 1 19 . 1 1 371 371 TRP CA C 371 59.845 59.845 55.923 3.922 17812 6916 1 19 . 1 1 371 371 TRP CB C 371 31.317 31.317 30.660 0.657 17812 6917 1 19 . 1 1 371 371 TRP H H 371 9.205 9.205 8.319 0.886 17812 6918 1 19 . 1 1 372 372 TYR N N 372 122.933 122.933 121.797 1.136 17812 6919 1 19 . 1 1 372 372 TYR HA H 372 5.217 5.217 4.119 1.098 17812 6920 1 19 . 1 1 372 372 TYR C C 372 173.821 173.821 175.108 -1.287 17812 6921 1 19 . 1 1 372 372 TYR CA C 372 54.963 54.963 55.446 -0.483 17812 6922 1 19 . 1 1 372 372 TYR CB C 372 41.593 41.593 39.685 1.907 17812 6923 1 19 . 1 1 372 372 TYR H H 372 6.907 6.907 7.899 -0.992 17812 6924 1 19 . 1 1 373 373 CYS N N 373 127.647 127.647 119.917 7.730 17812 6925 1 19 . 1 1 373 373 CYS HA H 373 3.530 3.530 3.386 0.144 17812 6926 1 19 . 1 1 373 373 CYS CA C 373 57.539 57.539 55.472 2.067 17812 6927 1 19 . 1 1 373 373 CYS CB C 373 30.549 30.549 26.928 3.621 17812 6928 1 19 . 1 1 373 373 CYS H H 373 9.310 9.310 7.800 1.510 17812 6929 1 19 . 1 1 374 374 PRO HA H 374 3.987 3.987 4.006 -0.019 17812 6930 1 19 . 1 1 374 374 PRO C C 374 178.008 178.008 178.606 -0.598 17812 6931 1 19 . 1 1 374 374 PRO CA C 374 65.504 65.504 65.477 0.027 17812 6932 1 19 . 1 1 374 374 PRO CB C 374 32.293 32.293 31.677 0.616 17812 6933 1 19 . 1 1 375 375 GLU N N 375 116.759 116.759 117.821 -1.062 17812 6934 1 19 . 1 1 375 375 GLU HA H 375 4.237 4.237 4.104 0.133 17812 6935 1 19 . 1 1 375 375 GLU C C 375 177.054 177.054 178.595 -1.541 17812 6936 1 19 . 1 1 375 375 GLU CA C 375 58.479 58.479 59.334 -0.855 17812 6937 1 19 . 1 1 375 375 GLU CB C 375 30.939 30.939 29.499 1.440 17812 6938 1 19 . 1 1 375 375 GLU H H 375 8.111 8.111 8.842 -0.731 17812 6939 1 19 . 1 1 376 376 CYS N N 376 122.642 122.642 117.508 5.134 17812 6940 1 19 . 1 1 376 376 CYS HA H 376 4.055 4.055 4.205 -0.150 17812 6941 1 19 . 1 1 376 376 CYS CA C 376 62.498 62.498 62.326 0.172 17812 6942 1 19 . 1 1 376 376 CYS CB C 376 31.379 31.379 26.300 5.079 17812 6943 1 19 . 1 1 376 376 CYS H H 376 8.075 8.075 7.417 0.658 17812 6944 1 19 . 1 1 377 377 ARG N N 377 117.680 117.680 119.147 -1.467 17812 6945 1 19 . 1 1 377 377 ARG HA H 377 3.948 3.948 3.981 -0.033 17812 6946 1 19 . 1 1 377 377 ARG C C 377 56.425 56.425 178.119 -121.694 17812 6947 1 19 . 1 1 377 377 ARG CB C 377 30.678 30.678 30.029 0.649 17812 6948 1 19 . 1 1 377 377 ARG H H 377 7.856 7.856 7.626 0.230 17812 6949 1 19 . 1 1 378 378 ASN N N 378 119.726 119.726 116.667 3.059 17812 6950 1 19 . 1 1 378 378 ASN HA H 378 4.695 4.695 4.489 0.206 17812 6951 1 19 . 1 1 378 378 ASN C C 378 173.554 173.554 175.112 -1.558 17812 6952 1 19 . 1 1 378 378 ASN CA C 378 53.204 53.204 54.934 -1.730 17812 6953 1 19 . 1 1 378 378 ASN CB C 378 39.516 39.516 38.569 0.947 17812 6954 1 19 . 1 1 378 378 ASN H H 378 8.189 8.189 8.145 0.044 17812 6955 1 20 . 1 1 312 312 GLY N N 312 110.352 110.352 110.522 -0.170 17812 6956 1 20 . 1 1 312 312 GLY CA C 312 44.546 44.546 45.721 -1.175 17812 6957 1 20 . 1 1 312 312 GLY H H 312 7.809 7.809 8.550 -0.741 17812 6958 1 20 . 1 1 313 313 PRO HA H 313 4.433 4.433 4.537 -0.104 17812 6959 1 20 . 1 1 313 313 PRO CA C 313 62.527 62.527 62.725 -0.198 17812 6960 1 20 . 1 1 313 313 PRO CB C 313 31.680 31.680 32.223 -0.543 17812 6961 1 20 . 1 1 314 314 SER N N 314 120.711 120.711 116.476 4.235 17812 6962 1 20 . 1 1 314 314 SER HA H 314 4.331 4.331 4.212 0.119 17812 6963 1 20 . 1 1 314 314 SER C C 314 174.789 174.789 174.937 -0.148 17812 6964 1 20 . 1 1 314 314 SER CA C 314 60.627 60.627 59.659 0.968 17812 6965 1 20 . 1 1 314 314 SER CB C 314 63.925 63.925 63.482 0.443 17812 6966 1 20 . 1 1 314 314 SER H H 314 10.435 10.435 8.515 1.920 17812 6967 1 20 . 1 1 315 315 CYS N N 315 125.240 125.240 120.566 4.674 17812 6968 1 20 . 1 1 315 315 CYS HA H 315 4.698 4.698 4.750 -0.052 17812 6969 1 20 . 1 1 315 315 CYS C C 315 176.852 176.852 174.065 2.787 17812 6970 1 20 . 1 1 315 315 CYS CA C 315 58.281 58.281 58.518 -0.237 17812 6971 1 20 . 1 1 315 315 CYS CB C 315 32.487 32.487 27.369 5.118 17812 6972 1 20 . 1 1 315 315 CYS H H 315 9.159 9.159 8.085 1.074 17812 6973 1 20 . 1 1 316 316 LYS N N 316 127.250 127.250 125.331 1.919 17812 6974 1 20 . 1 1 316 316 LYS HA H 316 4.005 4.005 4.409 -0.404 17812 6975 1 20 . 1 1 316 316 LYS C C 316 176.341 176.341 177.174 -0.833 17812 6976 1 20 . 1 1 316 316 LYS CA C 316 58.026 58.026 56.536 1.490 17812 6977 1 20 . 1 1 316 316 LYS CB C 316 32.116 32.116 32.519 -0.403 17812 6978 1 20 . 1 1 316 316 LYS H H 316 8.951 8.951 8.387 0.564 17812 6979 1 20 . 1 1 317 317 HIS N N 317 121.622 121.622 116.580 5.042 17812 6980 1 20 . 1 1 317 317 HIS HA H 317 4.367 4.367 4.571 -0.204 17812 6981 1 20 . 1 1 317 317 HIS C C 317 176.348 176.348 176.274 0.074 17812 6982 1 20 . 1 1 317 317 HIS CA C 317 59.351 59.351 58.035 1.316 17812 6983 1 20 . 1 1 317 317 HIS CB C 317 31.034 31.034 29.983 1.051 17812 6984 1 20 . 1 1 317 317 HIS H H 317 8.882 8.882 7.921 0.961 17812 6985 1 20 . 1 1 318 318 CYS N N 318 115.222 115.222 114.459 0.763 17812 6986 1 20 . 1 1 318 318 CYS HA H 318 4.839 4.839 4.927 -0.088 17812 6987 1 20 . 1 1 318 318 CYS C C 318 176.909 176.909 175.460 1.449 17812 6988 1 20 . 1 1 318 318 CYS CA C 318 58.040 58.040 57.117 0.923 17812 6989 1 20 . 1 1 318 318 CYS CB C 318 31.925 31.925 28.678 3.247 17812 6990 1 20 . 1 1 318 318 CYS H H 318 8.081 8.081 8.155 -0.074 17812 6991 1 20 . 1 1 319 319 LYS N N 319 119.827 119.827 122.598 -2.771 17812 6992 1 20 . 1 1 319 319 LYS HA H 319 3.886 3.886 3.967 -0.081 17812 6993 1 20 . 1 1 319 319 LYS C C 319 174.670 174.670 177.594 -2.924 17812 6994 1 20 . 1 1 319 319 LYS CA C 319 57.728 57.728 59.847 -2.119 17812 6995 1 20 . 1 1 319 319 LYS CB C 319 28.902 28.902 32.274 -3.372 17812 6996 1 20 . 1 1 319 319 LYS H H 319 7.895 7.895 8.151 -0.256 17812 6997 1 20 . 1 1 320 320 ASP N N 320 117.610 117.610 116.315 1.295 17812 6998 1 20 . 1 1 320 320 ASP HA H 320 4.206 4.206 4.451 -0.245 17812 6999 1 20 . 1 1 320 320 ASP C C 320 174.861 174.861 176.715 -1.854 17812 7000 1 20 . 1 1 320 320 ASP CA C 320 54.551 54.551 56.158 -1.607 17812 7001 1 20 . 1 1 320 320 ASP CB C 320 38.354 38.354 40.767 -2.413 17812 7002 1 20 . 1 1 320 320 ASP H H 320 8.873 8.873 8.709 0.164 17812 7003 1 20 . 1 1 321 321 ASP N N 321 118.813 118.813 118.156 0.657 17812 7004 1 20 . 1 1 321 321 ASP HA H 321 4.595 4.595 4.736 -0.141 17812 7005 1 20 . 1 1 321 321 ASP C C 321 176.386 176.386 176.784 -0.398 17812 7006 1 20 . 1 1 321 321 ASP CA C 321 53.781 53.781 52.532 1.249 17812 7007 1 20 . 1 1 321 321 ASP CB C 321 40.782 40.782 39.836 0.946 17812 7008 1 20 . 1 1 321 321 ASP H H 321 7.212 7.212 7.759 -0.547 17812 7009 1 20 . 1 1 322 322 VAL N N 322 122.228 122.228 117.108 5.120 17812 7010 1 20 . 1 1 322 322 VAL HA H 322 3.866 3.866 3.940 -0.074 17812 7011 1 20 . 1 1 322 322 VAL CA C 322 63.885 63.885 63.890 -0.005 17812 7012 1 20 . 1 1 322 322 VAL CB C 322 31.385 31.385 31.759 -0.374 17812 7013 1 20 . 1 1 322 322 VAL H H 322 8.060 8.060 7.915 0.145 17812 7014 1 20 . 1 1 323 323 ASN N N 323 117.787 117.787 116.694 1.093 17812 7015 1 20 . 1 1 323 323 ASN HA H 323 4.710 4.710 4.502 0.208 17812 7016 1 20 . 1 1 323 323 ASN CA C 323 54.065 54.065 54.806 -0.742 17812 7017 1 20 . 1 1 323 323 ASN CB C 323 38.876 38.876 38.266 0.610 17812 7018 1 20 . 1 1 323 323 ASN H H 323 8.486 8.486 8.335 0.151 17812 7019 1 20 . 1 1 324 324 ARG N N 324 120.106 120.106 120.321 -0.215 17812 7020 1 20 . 1 1 324 324 ARG HA H 324 4.632 4.632 4.308 0.324 17812 7021 1 20 . 1 1 324 324 ARG C C 324 175.881 175.881 174.936 0.945 17812 7022 1 20 . 1 1 324 324 ARG CA C 324 54.488 54.488 55.620 -1.131 17812 7023 1 20 . 1 1 324 324 ARG CB C 324 32.709 32.709 31.331 1.378 17812 7024 1 20 . 1 1 324 324 ARG H H 324 7.955 7.955 7.511 0.444 17812 7025 1 20 . 1 1 325 325 LEU N N 325 123.983 123.983 120.781 3.202 17812 7026 1 20 . 1 1 325 325 LEU HA H 325 4.422 4.422 4.413 0.009 17812 7027 1 20 . 1 1 325 325 LEU C C 325 177.647 177.647 177.070 0.577 17812 7028 1 20 . 1 1 325 325 LEU CA C 325 54.910 54.910 54.678 0.232 17812 7029 1 20 . 1 1 325 325 LEU CB C 325 42.720 42.720 42.461 0.260 17812 7030 1 20 . 1 1 325 325 LEU H H 325 8.423 8.423 8.113 0.310 17812 7031 1 20 . 1 1 326 326 CYS N N 326 123.693 123.693 123.218 0.475 17812 7032 1 20 . 1 1 326 326 CYS HA H 326 4.474 4.474 4.730 -0.256 17812 7033 1 20 . 1 1 326 326 CYS C C 326 174.472 174.472 175.936 -1.464 17812 7034 1 20 . 1 1 326 326 CYS CA C 326 60.503 60.503 57.227 3.276 17812 7035 1 20 . 1 1 326 326 CYS CB C 326 32.551 32.551 30.554 1.997 17812 7036 1 20 . 1 1 326 326 CYS H H 326 9.277 9.277 8.531 0.746 17812 7037 1 20 . 1 1 327 327 ARG N N 327 126.881 126.881 124.606 2.275 17812 7038 1 20 . 1 1 327 327 ARG HA H 327 4.579 4.579 4.028 0.551 17812 7039 1 20 . 1 1 327 327 ARG C C 327 175.128 175.128 177.767 -2.639 17812 7040 1 20 . 1 1 327 327 ARG CA C 327 56.522 56.522 59.083 -2.561 17812 7041 1 20 . 1 1 327 327 ARG CB C 327 29.116 29.116 30.047 -0.931 17812 7042 1 20 . 1 1 327 327 ARG H H 327 8.880 8.880 8.713 0.167 17812 7043 1 20 . 1 1 328 328 VAL N N 328 123.112 123.112 117.373 5.739 17812 7044 1 20 . 1 1 328 328 VAL HA H 328 4.139 4.139 3.699 0.440 17812 7045 1 20 . 1 1 328 328 VAL C C 328 176.618 176.618 176.093 0.525 17812 7046 1 20 . 1 1 328 328 VAL CA C 328 65.790 65.790 64.613 1.177 17812 7047 1 20 . 1 1 328 328 VAL CB C 328 32.296 32.296 31.793 0.503 17812 7048 1 20 . 1 1 328 328 VAL H H 328 9.058 9.058 7.715 1.343 17812 7049 1 20 . 1 1 329 329 CYS N N 329 117.822 117.822 114.188 3.634 17812 7050 1 20 . 1 1 329 329 CYS HA H 329 4.975 4.975 4.681 0.294 17812 7051 1 20 . 1 1 329 329 CYS C C 329 174.466 174.466 173.303 1.163 17812 7052 1 20 . 1 1 329 329 CYS CA C 329 58.446 58.446 56.112 2.334 17812 7053 1 20 . 1 1 329 329 CYS CB C 329 31.850 31.850 25.658 6.192 17812 7054 1 20 . 1 1 329 329 CYS H H 329 8.372 8.372 7.602 0.770 17812 7055 1 20 . 1 1 330 330 ALA N N 330 130.671 130.671 124.091 6.580 17812 7056 1 20 . 1 1 330 330 ALA HA H 330 4.575 4.575 4.437 0.138 17812 7057 1 20 . 1 1 330 330 ALA C C 330 175.000 175.000 175.504 -0.504 17812 7058 1 20 . 1 1 330 330 ALA CA C 330 50.393 50.393 51.104 -0.711 17812 7059 1 20 . 1 1 330 330 ALA CB C 330 19.244 19.244 20.872 -1.628 17812 7060 1 20 . 1 1 330 330 ALA H H 330 7.030 7.030 7.510 -0.480 17812 7061 1 20 . 1 1 331 331 CYS N N 331 118.585 118.585 120.262 -1.677 17812 7062 1 20 . 1 1 331 331 CYS HA H 331 3.587 3.587 4.357 -0.770 17812 7063 1 20 . 1 1 331 331 CYS C C 331 177.953 177.953 176.683 1.270 17812 7064 1 20 . 1 1 331 331 CYS CA C 331 60.241 60.241 60.659 -0.418 17812 7065 1 20 . 1 1 331 331 CYS CB C 331 30.524 30.524 26.467 4.057 17812 7066 1 20 . 1 1 331 331 CYS H H 331 7.081 7.081 8.347 -1.266 17812 7067 1 20 . 1 1 332 332 HIS N N 332 127.546 127.546 126.956 0.590 17812 7068 1 20 . 1 1 332 332 HIS HA H 332 4.752 4.752 4.225 0.527 17812 7069 1 20 . 1 1 332 332 HIS C C 332 174.236 174.236 175.345 -1.109 17812 7070 1 20 . 1 1 332 332 HIS CA C 332 56.287 56.287 59.021 -2.734 17812 7071 1 20 . 1 1 332 332 HIS CB C 332 28.769 28.769 30.121 -1.352 17812 7072 1 20 . 1 1 332 332 HIS H H 332 9.757 9.757 9.127 0.630 17812 7073 1 20 . 1 1 333 333 LEU N N 333 118.061 118.061 116.791 1.270 17812 7074 1 20 . 1 1 333 333 LEU HA H 333 4.580 4.580 4.179 0.401 17812 7075 1 20 . 1 1 333 333 LEU C C 333 177.564 177.564 178.261 -0.697 17812 7076 1 20 . 1 1 333 333 LEU CA C 333 56.046 56.046 56.054 -0.008 17812 7077 1 20 . 1 1 333 333 LEU CB C 333 42.986 42.986 42.414 0.572 17812 7078 1 20 . 1 1 333 333 LEU H H 333 8.773 8.773 8.031 0.742 17812 7079 1 20 . 1 1 334 334 CYS N N 334 118.393 118.393 115.763 2.630 17812 7080 1 20 . 1 1 334 334 CYS HA H 334 5.084 5.084 4.433 0.651 17812 7081 1 20 . 1 1 334 334 CYS C C 334 176.736 176.736 176.354 0.382 17812 7082 1 20 . 1 1 334 334 CYS CA C 334 58.973 58.973 59.865 -0.892 17812 7083 1 20 . 1 1 334 334 CYS CB C 334 32.481 32.481 27.363 5.118 17812 7084 1 20 . 1 1 334 334 CYS H H 334 8.310 8.310 8.091 0.219 17812 7085 1 20 . 1 1 335 335 GLY N N 335 115.992 115.992 109.459 6.533 17812 7086 1 20 . 1 1 335 335 GLY C C 335 172.059 172.059 174.410 -2.351 17812 7087 1 20 . 1 1 335 335 GLY CA C 335 45.652 45.652 45.032 0.620 17812 7088 1 20 . 1 1 335 335 GLY H H 335 8.596 8.596 8.367 0.229 17812 7089 1 20 . 1 1 336 336 GLY N N 336 111.360 111.360 106.895 4.465 17812 7090 1 20 . 1 1 336 336 GLY C C 336 174.101 174.101 172.479 1.622 17812 7091 1 20 . 1 1 336 336 GLY CA C 336 44.987 44.987 43.900 1.087 17812 7092 1 20 . 1 1 336 336 GLY H H 336 9.594 9.594 8.002 1.592 17812 7093 1 20 . 1 1 337 337 ARG N N 337 118.859 118.859 119.031 -0.172 17812 7094 1 20 . 1 1 337 337 ARG HA H 337 4.413 4.413 4.627 -0.214 17812 7095 1 20 . 1 1 337 337 ARG C C 337 177.635 177.635 174.785 2.850 17812 7096 1 20 . 1 1 337 337 ARG CA C 337 55.364 55.364 55.982 -0.618 17812 7097 1 20 . 1 1 337 337 ARG CB C 337 31.337 31.337 31.311 0.026 17812 7098 1 20 . 1 1 337 337 ARG H H 337 8.827 8.827 8.429 0.398 17812 7099 1 20 . 1 1 338 338 GLN N N 338 120.950 120.950 122.639 -1.689 17812 7100 1 20 . 1 1 338 338 GLN HA H 338 4.376 4.376 4.497 -0.121 17812 7101 1 20 . 1 1 338 338 GLN C C 338 176.420 176.420 175.214 1.206 17812 7102 1 20 . 1 1 338 338 GLN CA C 338 55.694 55.694 55.101 0.593 17812 7103 1 20 . 1 1 338 338 GLN CB C 338 28.096 28.096 30.855 -2.760 17812 7104 1 20 . 1 1 338 338 GLN H H 338 9.568 9.568 8.487 1.081 17812 7105 1 20 . 1 1 339 339 ASP N N 339 117.880 117.880 123.789 -5.909 17812 7106 1 20 . 1 1 339 339 ASP HA H 339 4.625 4.625 4.395 0.230 17812 7107 1 20 . 1 1 339 339 ASP CA C 339 55.283 55.283 54.571 0.712 17812 7108 1 20 . 1 1 339 339 ASP CB C 339 41.092 41.092 40.047 1.045 17812 7109 1 20 . 1 1 339 339 ASP H H 339 9.681 9.681 8.911 0.770 17812 7110 1 20 . 1 1 340 340 PRO HA H 340 4.140 4.140 3.898 0.242 17812 7111 1 20 . 1 1 340 340 PRO C C 340 177.463 177.463 177.654 -0.191 17812 7112 1 20 . 1 1 340 340 PRO CA C 340 65.883 65.883 64.626 1.257 17812 7113 1 20 . 1 1 340 340 PRO CB C 340 30.045 30.045 31.662 -1.617 17812 7114 1 20 . 1 1 341 341 ASP N N 341 115.117 115.117 116.218 -1.101 17812 7115 1 20 . 1 1 341 341 ASP HA H 341 4.642 4.642 4.375 0.267 17812 7116 1 20 . 1 1 341 341 ASP C C 341 175.663 175.663 176.930 -1.267 17812 7117 1 20 . 1 1 341 341 ASP CA C 341 54.735 54.735 55.636 -0.901 17812 7118 1 20 . 1 1 341 341 ASP CB C 341 39.135 39.135 39.720 -0.585 17812 7119 1 20 . 1 1 341 341 ASP H H 341 9.176 9.176 8.582 0.594 17812 7120 1 20 . 1 1 342 342 LYS N N 342 117.582 117.582 116.791 0.791 17812 7121 1 20 . 1 1 342 342 LYS HA H 342 4.351 4.351 4.356 -0.005 17812 7122 1 20 . 1 1 342 342 LYS CA C 342 54.496 54.496 55.577 -1.081 17812 7123 1 20 . 1 1 342 342 LYS CB C 342 33.968 33.968 32.840 1.128 17812 7124 1 20 . 1 1 342 342 LYS H H 342 8.056 8.056 7.527 0.529 17812 7125 1 20 . 1 1 343 343 GLN N N 343 119.535 119.535 120.213 -0.678 17812 7126 1 20 . 1 1 343 343 GLN HA H 343 4.510 4.510 3.738 0.772 17812 7127 1 20 . 1 1 343 343 GLN C C 343 175.176 175.176 174.929 0.247 17812 7128 1 20 . 1 1 343 343 GLN CA C 343 54.652 54.652 55.099 -0.447 17812 7129 1 20 . 1 1 343 343 GLN CB C 343 29.270 29.270 28.709 0.561 17812 7130 1 20 . 1 1 343 343 GLN H H 343 7.174 7.174 7.187 -0.013 17812 7131 1 20 . 1 1 344 344 LEU N N 344 124.836 124.836 127.297 -2.461 17812 7132 1 20 . 1 1 344 344 LEU HA H 344 4.307 4.307 4.613 -0.306 17812 7133 1 20 . 1 1 344 344 LEU CA C 344 53.564 53.564 53.957 -0.393 17812 7134 1 20 . 1 1 344 344 LEU CB C 344 44.381 44.381 43.528 0.853 17812 7135 1 20 . 1 1 344 344 LEU H H 344 8.215 8.215 8.567 -0.352 17812 7136 1 20 . 1 1 345 345 MET N N 345 119.349 119.349 119.838 -0.489 17812 7137 1 20 . 1 1 345 345 MET HA H 345 5.433 5.433 5.331 0.102 17812 7138 1 20 . 1 1 345 345 MET C C 345 175.462 175.462 175.626 -0.164 17812 7139 1 20 . 1 1 345 345 MET CA C 345 52.877 52.877 53.889 -1.012 17812 7140 1 20 . 1 1 345 345 MET CB C 345 32.312 32.312 35.936 -3.624 17812 7141 1 20 . 1 1 345 345 MET H H 345 8.086 8.086 8.233 -0.147 17812 7142 1 20 . 1 1 346 346 CYS N N 346 124.792 124.792 124.690 0.102 17812 7143 1 20 . 1 1 346 346 CYS HA H 346 4.751 4.751 4.812 -0.061 17812 7144 1 20 . 1 1 346 346 CYS C C 346 177.998 177.998 175.888 2.110 17812 7145 1 20 . 1 1 346 346 CYS CA C 346 60.088 60.088 58.152 1.936 17812 7146 1 20 . 1 1 346 346 CYS CB C 346 32.345 32.345 29.531 2.814 17812 7147 1 20 . 1 1 346 346 CYS H H 346 9.088 9.088 8.814 0.274 17812 7148 1 20 . 1 1 347 347 ASP N N 347 129.440 129.440 126.935 2.505 17812 7149 1 20 . 1 1 347 347 ASP HA H 347 4.624 4.624 4.646 -0.022 17812 7150 1 20 . 1 1 347 347 ASP C C 347 174.755 174.755 177.432 -2.677 17812 7151 1 20 . 1 1 347 347 ASP CA C 347 57.932 57.932 56.594 1.338 17812 7152 1 20 . 1 1 347 347 ASP CB C 347 41.115 41.115 40.953 0.162 17812 7153 1 20 . 1 1 347 347 ASP H H 347 9.154 9.154 8.832 0.322 17812 7154 1 20 . 1 1 348 348 GLU N N 348 124.253 124.253 118.319 5.934 17812 7155 1 20 . 1 1 348 348 GLU HA H 348 4.895 4.895 4.209 0.686 17812 7156 1 20 . 1 1 348 348 GLU C C 348 176.439 176.439 177.644 -1.205 17812 7157 1 20 . 1 1 348 348 GLU CA C 348 58.673 58.673 58.598 0.075 17812 7158 1 20 . 1 1 348 348 GLU CB C 348 30.510 30.510 30.106 0.404 17812 7159 1 20 . 1 1 348 348 GLU H H 348 9.615 9.615 8.575 1.040 17812 7160 1 20 . 1 1 349 349 CYS N N 349 119.153 119.153 115.678 3.475 17812 7161 1 20 . 1 1 349 349 CYS HA H 349 4.778 4.778 4.697 0.081 17812 7162 1 20 . 1 1 349 349 CYS CA C 349 60.216 60.216 58.831 1.385 17812 7163 1 20 . 1 1 349 349 CYS CB C 349 32.008 32.008 28.585 3.423 17812 7164 1 20 . 1 1 349 349 CYS H H 349 8.522 8.522 7.809 0.713 17812 7165 1 20 . 1 1 350 350 ASP N N 350 115.218 115.218 119.566 -4.348 17812 7166 1 20 . 1 1 350 350 ASP HA H 350 4.492 4.492 4.397 0.095 17812 7167 1 20 . 1 1 350 350 ASP CA C 350 55.086 55.086 55.551 -0.465 17812 7168 1 20 . 1 1 350 350 ASP CB C 350 41.386 41.386 38.398 2.988 17812 7169 1 20 . 1 1 350 350 ASP H H 350 7.813 7.813 8.758 -0.945 17812 7170 1 20 . 1 1 351 351 MET N N 351 117.029 117.029 116.230 0.799 17812 7171 1 20 . 1 1 351 351 MET HA H 351 4.520 4.520 4.702 -0.182 17812 7172 1 20 . 1 1 351 351 MET C C 351 173.497 173.497 174.587 -1.090 17812 7173 1 20 . 1 1 351 351 MET CA C 351 54.706 54.706 54.430 0.276 17812 7174 1 20 . 1 1 351 351 MET CB C 351 34.605 34.605 36.990 -2.385 17812 7175 1 20 . 1 1 351 351 MET H H 351 8.162 8.162 7.504 0.658 17812 7176 1 20 . 1 1 352 352 ALA N N 352 123.068 123.068 122.935 0.133 17812 7177 1 20 . 1 1 352 352 ALA HA H 352 5.528 5.528 5.431 0.097 17812 7178 1 20 . 1 1 352 352 ALA C C 352 177.545 177.545 176.337 1.208 17812 7179 1 20 . 1 1 352 352 ALA CA C 352 49.943 49.943 50.971 -1.028 17812 7180 1 20 . 1 1 352 352 ALA CB C 352 22.111 22.111 20.590 1.521 17812 7181 1 20 . 1 1 352 352 ALA H H 352 8.499 8.499 8.536 -0.037 17812 7182 1 20 . 1 1 353 353 PHE N N 353 116.057 116.057 118.252 -2.195 17812 7183 1 20 . 1 1 353 353 PHE HA H 353 5.106 5.106 4.949 0.157 17812 7184 1 20 . 1 1 353 353 PHE C C 353 176.868 176.868 176.628 0.240 17812 7185 1 20 . 1 1 353 353 PHE CA C 353 56.416 56.416 57.205 -0.789 17812 7186 1 20 . 1 1 353 353 PHE CB C 353 43.111 43.111 43.584 -0.473 17812 7187 1 20 . 1 1 353 353 PHE H H 353 9.164 9.164 8.137 1.027 17812 7188 1 20 . 1 1 354 354 HIS N N 354 124.053 124.053 121.281 2.772 17812 7189 1 20 . 1 1 354 354 HIS HA H 354 4.650 4.650 4.210 0.440 17812 7190 1 20 . 1 1 354 354 HIS C C 354 180.505 180.505 176.957 3.548 17812 7191 1 20 . 1 1 354 354 HIS CA C 354 58.931 58.931 58.131 0.800 17812 7192 1 20 . 1 1 354 354 HIS CB C 354 31.235 31.235 29.113 2.122 17812 7193 1 20 . 1 1 354 354 HIS H H 354 9.388 9.388 9.167 0.221 17812 7194 1 20 . 1 1 355 355 ILE N N 355 115.081 115.081 118.183 -3.102 17812 7195 1 20 . 1 1 355 355 ILE HA H 355 3.928 3.928 3.621 0.307 17812 7196 1 20 . 1 1 355 355 ILE C C 355 175.451 175.451 176.193 -0.742 17812 7197 1 20 . 1 1 355 355 ILE CA C 355 65.726 65.726 64.229 1.497 17812 7198 1 20 . 1 1 355 355 ILE CB C 355 36.292 36.292 36.928 -0.636 17812 7199 1 20 . 1 1 355 355 ILE H H 355 8.568 8.568 8.115 0.453 17812 7200 1 20 . 1 1 356 356 TYR N N 356 110.787 110.787 113.360 -2.573 17812 7201 1 20 . 1 1 356 356 TYR HA H 356 4.801 4.801 4.563 0.238 17812 7202 1 20 . 1 1 356 356 TYR C C 356 177.073 177.073 175.848 1.225 17812 7203 1 20 . 1 1 356 356 TYR CA C 356 55.362 55.362 57.690 -2.328 17812 7204 1 20 . 1 1 356 356 TYR CB C 356 36.767 36.767 38.551 -1.784 17812 7205 1 20 . 1 1 356 356 TYR H H 356 6.117 6.117 7.482 -1.365 17812 7206 1 20 . 1 1 357 357 CYS N N 357 121.584 121.584 118.160 3.424 17812 7207 1 20 . 1 1 357 357 CYS HA H 357 4.537 4.537 3.823 0.714 17812 7208 1 20 . 1 1 357 357 CYS C C 357 174.868 174.868 175.297 -0.429 17812 7209 1 20 . 1 1 357 357 CYS CA C 357 62.349 62.349 59.197 3.152 17812 7210 1 20 . 1 1 357 357 CYS CB C 357 31.087 31.087 26.553 4.534 17812 7211 1 20 . 1 1 357 357 CYS H H 357 7.603 7.603 7.116 0.487 17812 7212 1 20 . 1 1 358 358 LEU N N 358 119.134 119.134 121.506 -2.372 17812 7213 1 20 . 1 1 358 358 LEU HA H 358 4.040 4.040 4.285 -0.245 17812 7214 1 20 . 1 1 358 358 LEU CA C 358 55.465 55.465 55.238 0.227 17812 7215 1 20 . 1 1 358 358 LEU CB C 358 44.020 44.020 42.228 1.792 17812 7216 1 20 . 1 1 358 358 LEU H H 358 6.387 6.387 7.549 -1.162 17812 7217 1 20 . 1 1 359 359 ASP N N 359 117.020 117.020 121.667 -4.647 17812 7218 1 20 . 1 1 359 359 ASP HA H 359 4.985 4.985 4.471 0.514 17812 7219 1 20 . 1 1 359 359 ASP CA C 359 50.354 50.354 56.545 -6.191 17812 7220 1 20 . 1 1 359 359 ASP CB C 359 43.465 43.465 40.013 3.452 17812 7221 1 20 . 1 1 359 359 ASP H H 359 8.167 8.167 8.488 -0.321 17812 7222 1 20 . 1 1 360 360 PRO HA H 360 5.202 5.202 4.522 0.680 17812 7223 1 20 . 1 1 360 360 PRO CA C 360 62.131 62.131 62.143 -0.012 17812 7224 1 20 . 1 1 360 360 PRO CB C 360 33.173 33.173 31.337 1.837 17812 7225 1 20 . 1 1 361 361 PRO HA H 361 4.462 4.462 4.523 -0.061 17812 7226 1 20 . 1 1 361 361 PRO C C 361 177.733 177.733 176.939 0.794 17812 7227 1 20 . 1 1 361 361 PRO CA C 361 63.068 63.068 62.153 0.915 17812 7228 1 20 . 1 1 361 361 PRO CB C 361 32.301 32.301 32.747 -0.446 17812 7229 1 20 . 1 1 362 362 LEU N N 362 121.043 121.043 121.073 -0.030 17812 7230 1 20 . 1 1 362 362 LEU HA H 362 4.761 4.761 4.456 0.305 17812 7231 1 20 . 1 1 362 362 LEU C C 362 177.392 177.392 178.273 -0.881 17812 7232 1 20 . 1 1 362 362 LEU CA C 362 53.621 53.621 54.860 -1.239 17812 7233 1 20 . 1 1 362 362 LEU CB C 362 43.759 43.759 42.177 1.582 17812 7234 1 20 . 1 1 362 362 LEU H H 362 7.798 7.798 8.259 -0.461 17812 7235 1 20 . 1 1 363 363 SER N N 363 115.324 115.324 115.644 -0.320 17812 7236 1 20 . 1 1 363 363 SER HA H 363 4.377 4.377 4.280 0.097 17812 7237 1 20 . 1 1 363 363 SER C C 363 174.070 174.070 174.715 -0.645 17812 7238 1 20 . 1 1 363 363 SER CA C 363 59.341 59.341 60.020 -0.679 17812 7239 1 20 . 1 1 363 363 SER CB C 363 63.871 63.871 63.615 0.255 17812 7240 1 20 . 1 1 363 363 SER H H 363 8.899 8.899 8.606 0.293 17812 7241 1 20 . 1 1 364 364 SER N N 364 112.898 112.898 114.316 -1.418 17812 7242 1 20 . 1 1 364 364 SER HA H 364 4.451 4.451 4.552 -0.101 17812 7243 1 20 . 1 1 364 364 SER C C 364 173.066 173.066 173.152 -0.086 17812 7244 1 20 . 1 1 364 364 SER CA C 364 56.852 56.852 57.953 -1.101 17812 7245 1 20 . 1 1 364 364 SER CB C 364 65.197 65.197 63.956 1.240 17812 7246 1 20 . 1 1 364 364 SER H H 364 7.460 7.460 7.720 -0.260 17812 7247 1 20 . 1 1 365 365 VAL N N 365 123.433 123.433 126.203 -2.770 17812 7248 1 20 . 1 1 365 365 VAL HA H 365 3.820 3.820 4.419 -0.599 17812 7249 1 20 . 1 1 365 365 VAL CA C 365 61.613 61.613 59.192 2.421 17812 7250 1 20 . 1 1 365 365 VAL CB C 365 32.428 32.428 32.938 -0.510 17812 7251 1 20 . 1 1 365 365 VAL H H 365 8.695 8.695 8.221 0.474 17812 7252 1 20 . 1 1 366 366 PRO HA H 366 4.457 4.457 4.608 -0.151 17812 7253 1 20 . 1 1 366 366 PRO C C 366 175.679 175.679 176.287 -0.608 17812 7254 1 20 . 1 1 366 366 PRO CA C 366 63.224 63.224 62.687 0.537 17812 7255 1 20 . 1 1 366 366 PRO CB C 366 32.526 32.526 32.718 -0.192 17812 7256 1 20 . 1 1 367 367 SER N N 367 116.079 116.079 118.347 -2.268 17812 7257 1 20 . 1 1 367 367 SER HA H 367 4.456 4.456 4.461 -0.005 17812 7258 1 20 . 1 1 367 367 SER C C 367 174.796 174.796 176.021 -1.225 17812 7259 1 20 . 1 1 367 367 SER CA C 367 58.855 58.855 59.457 -0.602 17812 7260 1 20 . 1 1 367 367 SER CB C 367 64.091 64.091 64.071 0.020 17812 7261 1 20 . 1 1 367 367 SER H H 367 8.648 8.648 8.669 -0.021 17812 7262 1 20 . 1 1 368 368 GLU N N 368 122.642 122.642 121.070 1.572 17812 7263 1 20 . 1 1 368 368 GLU HA H 368 4.275 4.275 4.263 0.012 17812 7264 1 20 . 1 1 368 368 GLU CA C 368 57.631 57.631 57.372 0.259 17812 7265 1 20 . 1 1 368 368 GLU CB C 368 30.124 30.124 30.117 0.007 17812 7266 1 20 . 1 1 368 368 GLU H H 368 8.629 8.629 8.528 0.101 17812 7267 1 20 . 1 1 369 369 ASP N N 369 120.686 120.686 120.036 0.650 17812 7268 1 20 . 1 1 369 369 ASP HA H 369 4.332 4.332 4.668 -0.336 17812 7269 1 20 . 1 1 369 369 ASP CA C 369 57.181 57.181 53.967 3.214 17812 7270 1 20 . 1 1 369 369 ASP CB C 369 41.404 41.404 41.273 0.131 17812 7271 1 20 . 1 1 369 369 ASP H H 369 8.614 8.614 8.140 0.474 17812 7272 1 20 . 1 1 370 370 GLU N N 370 115.631 115.631 120.062 -4.431 17812 7273 1 20 . 1 1 370 370 GLU HA H 370 4.861 4.861 4.495 0.366 17812 7274 1 20 . 1 1 370 370 GLU C C 370 175.047 175.047 175.880 -0.833 17812 7275 1 20 . 1 1 370 370 GLU CA C 370 54.687 54.687 55.243 -0.556 17812 7276 1 20 . 1 1 370 370 GLU CB C 370 32.837 32.837 30.953 1.885 17812 7277 1 20 . 1 1 370 370 GLU H H 370 7.823 7.823 8.485 -0.662 17812 7278 1 20 . 1 1 371 371 TRP N N 371 124.056 124.056 124.423 -0.367 17812 7279 1 20 . 1 1 371 371 TRP HA H 371 4.311 4.311 4.750 -0.439 17812 7280 1 20 . 1 1 371 371 TRP C C 371 171.586 171.586 173.725 -2.139 17812 7281 1 20 . 1 1 371 371 TRP CA C 371 59.845 59.845 56.428 3.417 17812 7282 1 20 . 1 1 371 371 TRP CB C 371 31.317 31.317 30.450 0.867 17812 7283 1 20 . 1 1 371 371 TRP H H 371 9.205 9.205 8.348 0.857 17812 7284 1 20 . 1 1 372 372 TYR N N 372 122.933 122.933 122.236 0.697 17812 7285 1 20 . 1 1 372 372 TYR HA H 372 5.217 5.217 4.022 1.195 17812 7286 1 20 . 1 1 372 372 TYR C C 372 173.821 173.821 174.636 -0.815 17812 7287 1 20 . 1 1 372 372 TYR CA C 372 54.963 54.963 55.744 -0.781 17812 7288 1 20 . 1 1 372 372 TYR CB C 372 41.593 41.593 41.016 0.577 17812 7289 1 20 . 1 1 372 372 TYR H H 372 6.907 6.907 7.871 -0.964 17812 7290 1 20 . 1 1 373 373 CYS N N 373 127.647 127.647 121.655 5.992 17812 7291 1 20 . 1 1 373 373 CYS HA H 373 3.530 3.530 3.718 -0.188 17812 7292 1 20 . 1 1 373 373 CYS CA C 373 57.539 57.539 57.016 0.523 17812 7293 1 20 . 1 1 373 373 CYS CB C 373 30.549 30.549 26.560 3.989 17812 7294 1 20 . 1 1 373 373 CYS H H 373 9.310 9.310 8.557 0.753 17812 7295 1 20 . 1 1 374 374 PRO HA H 374 3.987 3.987 4.069 -0.082 17812 7296 1 20 . 1 1 374 374 PRO C C 374 178.008 178.008 178.372 -0.364 17812 7297 1 20 . 1 1 374 374 PRO CA C 374 65.504 65.504 65.593 -0.089 17812 7298 1 20 . 1 1 374 374 PRO CB C 374 32.293 32.293 31.807 0.486 17812 7299 1 20 . 1 1 375 375 GLU N N 375 116.759 116.759 118.605 -1.846 17812 7300 1 20 . 1 1 375 375 GLU HA H 375 4.237 4.237 4.241 -0.004 17812 7301 1 20 . 1 1 375 375 GLU C C 375 177.054 177.054 179.279 -2.225 17812 7302 1 20 . 1 1 375 375 GLU CA C 375 58.479 58.479 58.487 -0.008 17812 7303 1 20 . 1 1 375 375 GLU CB C 375 30.939 30.939 28.636 2.303 17812 7304 1 20 . 1 1 375 375 GLU H H 375 8.111 8.111 8.861 -0.750 17812 7305 1 20 . 1 1 376 376 CYS N N 376 122.642 122.642 118.640 4.002 17812 7306 1 20 . 1 1 376 376 CYS HA H 376 4.055 4.055 4.271 -0.216 17812 7307 1 20 . 1 1 376 376 CYS CA C 376 62.498 62.498 61.593 0.905 17812 7308 1 20 . 1 1 376 376 CYS CB C 376 31.379 31.379 26.148 5.231 17812 7309 1 20 . 1 1 376 376 CYS H H 376 8.075 8.075 8.423 -0.348 17812 7310 1 20 . 1 1 377 377 ARG N N 377 117.680 117.680 120.197 -2.517 17812 7311 1 20 . 1 1 377 377 ARG HA H 377 3.948 3.948 4.067 -0.119 17812 7312 1 20 . 1 1 377 377 ARG C C 377 56.425 56.425 177.366 -120.941 17812 7313 1 20 . 1 1 377 377 ARG CB C 377 30.678 30.678 29.641 1.037 17812 7314 1 20 . 1 1 377 377 ARG H H 377 7.856 7.856 7.893 -0.037 17812 7315 1 20 . 1 1 378 378 ASN N N 378 119.726 119.726 115.637 4.089 17812 7316 1 20 . 1 1 378 378 ASN HA H 378 4.695 4.695 4.678 0.017 17812 7317 1 20 . 1 1 378 378 ASN C C 378 173.554 173.554 175.446 -1.892 17812 7318 1 20 . 1 1 378 378 ASN CA C 378 53.204 53.204 52.350 0.854 17812 7319 1 20 . 1 1 378 378 ASN CB C 378 39.516 39.516 38.005 1.510 17812 7320 1 20 . 1 1 378 378 ASN H H 378 8.189 8.189 7.731 0.458 17812 stop_ loop_ _SPARTA_output.Data_ID _SPARTA_output.Entity_delta_chem_shifts_ID _SPARTA_output.Conformer_ID _SPARTA_output.Data_type _SPARTA_output.Data_atom _SPARTA_output.Data_num_shifts _SPARTA_output.Data_value _SPARTA_output.Data_low_range _SPARTA_output.Data_high_range _SPARTA_output.Entry_ID 1 1 1 "Average Difference" N 61 3.172 -0.832 3.087 17812 2 1 1 "Average Difference" HA 70 0.353 -0.079 0.346 17812 3 1 1 "Average Difference" C 50 17.213 2.680 17.175 17812 4 1 1 "Average Difference" CA 66 1.676 -0.062 1.688 17812 5 1 1 "Average Difference" CB 64 2.201 -0.864 2.040 17812 6 1 1 "Average Difference" HN 61 0.797 -0.244 0.765 17812 7 1 2 "Average Difference" N 61 2.895 -0.471 2.880 17812 8 1 2 "Average Difference" HA 70 0.348 -0.087 0.340 17812 9 1 2 "Average Difference" C 50 17.273 2.650 17.242 17812 10 1 2 "Average Difference" CA 66 1.649 -0.032 1.662 17812 11 1 2 "Average Difference" CB 64 2.309 -0.893 2.146 17812 12 1 2 "Average Difference" HN 61 0.760 -0.246 0.726 17812 13 1 3 "Average Difference" N 61 3.062 -0.872 2.960 17812 14 1 3 "Average Difference" HA 70 0.363 -0.110 0.349 17812 15 1 3 "Average Difference" C 50 17.219 2.719 17.175 17812 16 1 3 "Average Difference" CA 66 1.652 0.052 1.664 17812 17 1 3 "Average Difference" CB 64 2.184 -0.892 2.010 17812 18 1 3 "Average Difference" HN 61 0.770 -0.268 0.728 17812 19 1 4 "Average Difference" N 61 3.097 -0.691 3.044 17812 20 1 4 "Average Difference" HA 70 0.361 -0.086 0.353 17812 21 1 4 "Average Difference" C 50 17.182 2.709 17.139 17812 22 1 4 "Average Difference" CA 66 1.678 0.009 1.691 17812 23 1 4 "Average Difference" CB 64 2.270 -0.873 2.113 17812 24 1 4 "Average Difference" HN 61 0.772 -0.255 0.735 17812 25 1 5 "Average Difference" N 61 3.269 -0.502 3.257 17812 26 1 5 "Average Difference" HA 70 0.361 -0.099 0.350 17812 27 1 5 "Average Difference" C 50 17.225 2.595 17.201 17812 28 1 5 "Average Difference" CA 66 1.614 -0.113 1.622 17812 29 1 5 "Average Difference" CB 64 2.276 -0.862 2.124 17812 30 1 5 "Average Difference" HN 61 0.766 -0.239 0.734 17812 31 1 6 "Average Difference" N 61 3.052 -0.773 2.977 17812 32 1 6 "Average Difference" HA 70 0.371 -0.086 0.363 17812 33 1 6 "Average Difference" C 50 17.200 2.717 17.157 17812 34 1 6 "Average Difference" CA 66 1.730 -0.090 1.741 17812 35 1 6 "Average Difference" CB 64 2.328 -0.933 2.150 17812 36 1 6 "Average Difference" HN 61 0.788 -0.263 0.749 17812 37 1 7 "Average Difference" N 61 3.277 -0.637 3.241 17812 38 1 7 "Average Difference" HA 70 0.364 -0.087 0.356 17812 39 1 7 "Average Difference" C 50 17.083 2.539 17.065 17812 40 1 7 "Average Difference" CA 66 1.715 -0.072 1.727 17812 41 1 7 "Average Difference" CB 64 2.280 -0.827 2.142 17812 42 1 7 "Average Difference" HN 61 0.744 -0.248 0.708 17812 43 1 8 "Average Difference" N 61 3.104 -0.323 3.113 17812 44 1 8 "Average Difference" HA 70 0.361 -0.116 0.345 17812 45 1 8 "Average Difference" C 50 17.159 2.580 17.136 17812 46 1 8 "Average Difference" CA 66 1.561 -0.111 1.569 17812 47 1 8 "Average Difference" CB 64 2.379 -0.906 2.218 17812 48 1 8 "Average Difference" HN 61 0.779 -0.275 0.735 17812 49 1 9 "Average Difference" N 61 3.042 -0.931 2.920 17812 50 1 9 "Average Difference" HA 70 0.350 -0.085 0.341 17812 51 1 9 "Average Difference" C 50 17.000 2.669 16.960 17812 52 1 9 "Average Difference" CA 66 1.611 -0.112 1.620 17812 53 1 9 "Average Difference" CB 64 2.191 -0.830 2.044 17812 54 1 9 "Average Difference" HN 61 0.766 -0.249 0.730 17812 55 1 10 "Average Difference" N 61 2.955 -0.436 2.947 17812 56 1 10 "Average Difference" HA 70 0.359 -0.062 0.356 17812 57 1 10 "Average Difference" C 50 17.033 2.556 17.011 17812 58 1 10 "Average Difference" CA 66 1.551 -0.066 1.562 17812 59 1 10 "Average Difference" CB 64 2.442 -0.891 2.291 17812 60 1 10 "Average Difference" HN 61 0.734 -0.220 0.706 17812 61 1 11 "Average Difference" N 61 3.313 -0.421 3.314 17812 62 1 11 "Average Difference" HA 70 0.383 -0.103 0.372 17812 63 1 11 "Average Difference" C 50 17.261 2.563 17.243 17812 64 1 11 "Average Difference" CA 66 1.577 -0.137 1.584 17812 65 1 11 "Average Difference" CB 64 2.258 -0.909 2.083 17812 66 1 11 "Average Difference" HN 61 0.765 -0.262 0.725 17812 67 1 12 "Average Difference" N 61 3.356 -0.566 3.335 17812 68 1 12 "Average Difference" HA 70 0.359 -0.101 0.347 17812 69 1 12 "Average Difference" C 50 17.217 2.736 17.171 17812 70 1 12 "Average Difference" CA 66 1.638 0.026 1.650 17812 71 1 12 "Average Difference" CB 64 2.234 -0.901 2.060 17812 72 1 12 "Average Difference" HN 61 0.767 -0.254 0.730 17812 73 1 13 "Average Difference" N 61 3.119 -0.439 3.113 17812 74 1 13 "Average Difference" HA 70 0.350 -0.075 0.344 17812 75 1 13 "Average Difference" C 50 17.237 2.537 17.223 17812 76 1 13 "Average Difference" CA 66 1.585 -0.127 1.592 17812 77 1 13 "Average Difference" CB 64 2.355 -0.954 2.170 17812 78 1 13 "Average Difference" HN 61 0.769 -0.214 0.745 17812 79 1 14 "Average Difference" N 61 2.909 -0.470 2.894 17812 80 1 14 "Average Difference" HA 70 0.350 -0.111 0.335 17812 81 1 14 "Average Difference" C 50 17.211 2.619 17.184 17812 82 1 14 "Average Difference" CA 66 1.608 -0.100 1.617 17812 83 1 14 "Average Difference" CB 64 2.214 -0.895 2.041 17812 84 1 14 "Average Difference" HN 61 0.760 -0.236 0.728 17812 85 1 15 "Average Difference" N 61 2.851 -0.651 2.798 17812 86 1 15 "Average Difference" HA 70 0.358 -0.073 0.353 17812 87 1 15 "Average Difference" C 50 17.122 2.615 17.092 17812 88 1 15 "Average Difference" CA 66 1.643 -0.122 1.651 17812 89 1 15 "Average Difference" CB 64 2.334 -0.945 2.151 17812 90 1 15 "Average Difference" HN 61 0.752 -0.241 0.718 17812 91 1 16 "Average Difference" N 61 3.218 -0.373 3.223 17812 92 1 16 "Average Difference" HA 70 0.364 -0.086 0.356 17812 93 1 16 "Average Difference" C 50 17.098 2.582 17.073 17812 94 1 16 "Average Difference" CA 66 1.671 -0.045 1.683 17812 95 1 16 "Average Difference" CB 64 2.309 -0.909 2.140 17812 96 1 16 "Average Difference" HN 61 0.763 -0.209 0.740 17812 97 1 17 "Average Difference" N 61 3.106 -0.750 3.039 17812 98 1 17 "Average Difference" HA 70 0.349 -0.102 0.336 17812 99 1 17 "Average Difference" C 50 17.085 2.630 17.052 17812 100 1 17 "Average Difference" CA 66 1.628 0.057 1.640 17812 101 1 17 "Average Difference" CB 64 2.255 -0.913 2.079 17812 102 1 17 "Average Difference" HN 61 0.848 -0.270 0.810 17812 103 1 18 "Average Difference" N 61 3.126 -0.815 3.043 17812 104 1 18 "Average Difference" HA 70 0.348 -0.069 0.343 17812 105 1 18 "Average Difference" C 50 17.257 2.734 17.212 17812 106 1 18 "Average Difference" CA 66 1.732 -0.017 1.745 17812 107 1 18 "Average Difference" CB 64 2.323 -0.871 2.170 17812 108 1 18 "Average Difference" HN 61 0.766 -0.239 0.734 17812 109 1 19 "Average Difference" N 61 2.754 -0.292 2.761 17812 110 1 19 "Average Difference" HA 70 0.389 -0.105 0.377 17812 111 1 19 "Average Difference" C 50 17.277 2.661 17.245 17812 112 1 19 "Average Difference" CA 66 1.671 -0.021 1.684 17812 113 1 19 "Average Difference" CB 64 2.396 -0.893 2.241 17812 114 1 19 "Average Difference" HN 61 0.805 -0.265 0.766 17812 115 1 20 "Average Difference" N 61 3.110 -0.764 3.039 17812 116 1 20 "Average Difference" HA 70 0.347 -0.081 0.340 17812 117 1 20 "Average Difference" C 50 17.166 2.622 17.137 17812 118 1 20 "Average Difference" CA 66 1.557 -0.093 1.566 17812 119 1 20 "Average Difference" CB 64 2.245 -0.863 2.089 17812 120 1 20 "Average Difference" HN 61 0.711 -0.212 0.684 17812 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.Model_type average _Entity_delta_chem_shifts.Entry_ID 17812 _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.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_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.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 312 312 GLY N N 312 110.352 110.352 110.941 -0.589 17812 2 1 . 1 1 312 312 GLY CA C 312 44.546 44.546 44.527 0.019 17812 3 1 . 1 1 312 312 GLY H H 312 7.809 7.809 8.314 -0.504 17812 4 1 . 1 1 313 313 PRO HA H 313 4.433 4.433 4.455 -0.022 17812 5 1 . 1 1 313 313 PRO CA C 313 62.527 62.527 62.814 -0.287 17812 6 1 . 1 1 313 313 PRO CB C 313 31.680 31.680 32.558 -0.878 17812 7 1 . 1 1 314 314 SER N N 314 120.711 120.711 115.031 5.680 17812 8 1 . 1 1 314 314 SER HA H 314 4.331 4.331 4.255 0.076 17812 9 1 . 1 1 314 314 SER C C 314 174.789 174.789 174.551 0.238 17812 10 1 . 1 1 314 314 SER CA C 314 60.627 60.627 59.819 0.808 17812 11 1 . 1 1 314 314 SER CB C 314 63.925 63.925 63.338 0.587 17812 12 1 . 1 1 314 314 SER H H 314 10.435 10.435 8.398 2.037 17812 13 1 . 1 1 315 315 CYS N N 315 125.240 125.240 121.114 4.126 17812 14 1 . 1 1 315 315 CYS HA H 315 4.698 4.698 4.677 0.021 17812 15 1 . 1 1 315 315 CYS C C 315 176.852 176.852 174.454 2.398 17812 16 1 . 1 1 315 315 CYS CA C 315 58.281 58.281 57.933 0.348 17812 17 1 . 1 1 315 315 CYS CB C 315 32.487 32.487 28.292 4.195 17812 18 1 . 1 1 315 315 CYS H H 315 9.159 9.159 7.944 1.215 17812 19 1 . 1 1 316 316 LYS N N 316 127.250 127.250 125.686 1.564 17812 20 1 . 1 1 316 316 LYS HA H 316 4.005 4.005 4.286 -0.281 17812 21 1 . 1 1 316 316 LYS C C 316 176.341 176.341 177.120 -0.779 17812 22 1 . 1 1 316 316 LYS CA C 316 58.026 58.026 57.368 0.658 17812 23 1 . 1 1 316 316 LYS CB C 316 32.116 32.116 32.508 -0.392 17812 24 1 . 1 1 316 316 LYS H H 316 8.951 8.951 8.545 0.406 17812 25 1 . 1 1 317 317 HIS N N 317 121.622 121.622 118.159 3.463 17812 26 1 . 1 1 317 317 HIS HA H 317 4.367 4.367 4.540 -0.173 17812 27 1 . 1 1 317 317 HIS C C 317 176.348 176.348 176.892 -0.544 17812 28 1 . 1 1 317 317 HIS CA C 317 59.351 59.351 58.850 0.501 17812 29 1 . 1 1 317 317 HIS CB C 317 31.034 31.034 29.526 1.508 17812 30 1 . 1 1 317 317 HIS H H 317 8.882 8.882 7.791 1.091 17812 31 1 . 1 1 318 318 CYS N N 318 115.222 115.222 116.861 -1.639 17812 32 1 . 1 1 318 318 CYS HA H 318 4.839 4.839 4.478 0.361 17812 33 1 . 1 1 318 318 CYS C C 318 176.909 176.909 176.028 0.881 17812 34 1 . 1 1 318 318 CYS CA C 318 58.040 58.040 60.441 -2.401 17812 35 1 . 1 1 318 318 CYS CB C 318 31.925 31.925 26.764 5.161 17812 36 1 . 1 1 318 318 CYS H H 318 8.081 8.081 8.028 0.053 17812 37 1 . 1 1 319 319 LYS N N 319 119.827 119.827 119.962 -0.135 17812 38 1 . 1 1 319 319 LYS HA H 319 3.886 3.886 4.009 -0.123 17812 39 1 . 1 1 319 319 LYS C C 319 174.670 174.670 178.362 -3.692 17812 40 1 . 1 1 319 319 LYS CA C 319 57.728 57.728 59.341 -1.613 17812 41 1 . 1 1 319 319 LYS CB C 319 28.902 28.902 32.253 -3.351 17812 42 1 . 1 1 319 319 LYS H H 319 7.895 7.895 8.046 -0.151 17812 43 1 . 1 1 320 320 ASP N N 320 117.610 117.610 118.032 -0.422 17812 44 1 . 1 1 320 320 ASP HA H 320 4.206 4.206 4.463 -0.257 17812 45 1 . 1 1 320 320 ASP C C 320 174.861 174.861 176.786 -1.925 17812 46 1 . 1 1 320 320 ASP CA C 320 54.551 54.551 56.390 -1.839 17812 47 1 . 1 1 320 320 ASP CB C 320 38.354 38.354 40.906 -2.552 17812 48 1 . 1 1 320 320 ASP H H 320 8.873 8.873 8.027 0.846 17812 49 1 . 1 1 321 321 ASP N N 321 118.813 118.813 117.758 1.055 17812 50 1 . 1 1 321 321 ASP HA H 321 4.595 4.595 4.858 -0.263 17812 51 1 . 1 1 321 321 ASP C C 321 176.386 176.386 176.327 0.059 17812 52 1 . 1 1 321 321 ASP CA C 321 53.781 53.781 53.098 0.683 17812 53 1 . 1 1 321 321 ASP CB C 321 40.782 40.782 40.297 0.485 17812 54 1 . 1 1 321 321 ASP H H 321 7.212 7.212 7.727 -0.515 17812 55 1 . 1 1 322 322 VAL N N 322 122.228 122.228 120.132 2.096 17812 56 1 . 1 1 322 322 VAL HA H 322 3.866 3.866 3.728 0.138 17812 57 1 . 1 1 322 322 VAL CA C 322 63.885 63.885 64.959 -1.074 17812 58 1 . 1 1 322 322 VAL CB C 322 31.385 31.385 31.922 -0.537 17812 59 1 . 1 1 322 322 VAL H H 322 8.060 8.060 7.990 0.070 17812 60 1 . 1 1 323 323 ASN N N 323 117.787 117.787 115.874 1.913 17812 61 1 . 1 1 323 323 ASN HA H 323 4.710 4.710 4.536 0.174 17812 62 1 . 1 1 323 323 ASN CA C 323 54.065 54.065 54.403 -0.339 17812 63 1 . 1 1 323 323 ASN CB C 323 38.876 38.876 38.303 0.573 17812 64 1 . 1 1 323 323 ASN H H 323 8.486 8.486 8.432 0.054 17812 65 1 . 1 1 324 324 ARG N N 324 120.106 120.106 120.117 -0.011 17812 66 1 . 1 1 324 324 ARG HA H 324 4.632 4.632 4.383 0.248 17812 67 1 . 1 1 324 324 ARG C C 324 175.881 175.881 175.065 0.816 17812 68 1 . 1 1 324 324 ARG CA C 324 54.488 54.488 55.405 -0.917 17812 69 1 . 1 1 324 324 ARG CB C 324 32.709 32.709 31.576 1.132 17812 70 1 . 1 1 324 324 ARG H H 324 7.955 7.955 7.622 0.333 17812 71 1 . 1 1 325 325 LEU N N 325 123.983 123.983 121.809 2.174 17812 72 1 . 1 1 325 325 LEU HA H 325 4.422 4.422 4.435 -0.013 17812 73 1 . 1 1 325 325 LEU C C 325 177.647 177.647 176.710 0.937 17812 74 1 . 1 1 325 325 LEU CA C 325 54.910 54.910 54.881 0.029 17812 75 1 . 1 1 325 325 LEU CB C 325 42.720 42.720 42.930 -0.210 17812 76 1 . 1 1 325 325 LEU H H 325 8.423 8.423 8.203 0.220 17812 77 1 . 1 1 326 326 CYS N N 326 123.693 123.693 125.041 -1.348 17812 78 1 . 1 1 326 326 CYS HA H 326 4.474 4.474 4.751 -0.277 17812 79 1 . 1 1 326 326 CYS C C 326 174.472 174.472 175.640 -1.168 17812 80 1 . 1 1 326 326 CYS CA C 326 60.503 60.503 57.573 2.930 17812 81 1 . 1 1 326 326 CYS CB C 326 32.551 32.551 29.024 3.527 17812 82 1 . 1 1 326 326 CYS H H 326 9.277 9.277 8.700 0.577 17812 83 1 . 1 1 327 327 ARG N N 327 126.881 126.881 125.269 1.612 17812 84 1 . 1 1 327 327 ARG HA H 327 4.579 4.579 4.112 0.467 17812 85 1 . 1 1 327 327 ARG C C 327 175.128 175.128 177.806 -2.678 17812 86 1 . 1 1 327 327 ARG CA C 327 56.522 56.522 58.563 -2.041 17812 87 1 . 1 1 327 327 ARG CB C 327 29.116 29.116 30.224 -1.108 17812 88 1 . 1 1 327 327 ARG H H 327 8.880 8.880 8.742 0.138 17812 89 1 . 1 1 328 328 VAL N N 328 123.112 123.112 117.880 5.232 17812 90 1 . 1 1 328 328 VAL HA H 328 4.139 4.139 3.774 0.365 17812 91 1 . 1 1 328 328 VAL C C 328 176.618 176.618 176.595 0.023 17812 92 1 . 1 1 328 328 VAL CA C 328 65.790 65.790 64.910 0.880 17812 93 1 . 1 1 328 328 VAL CB C 328 32.296 32.296 31.989 0.307 17812 94 1 . 1 1 328 328 VAL H H 328 9.058 9.058 7.914 1.144 17812 95 1 . 1 1 329 329 CYS N N 329 117.822 117.822 117.267 0.555 17812 96 1 . 1 1 329 329 CYS HA H 329 4.975 4.975 4.702 0.273 17812 97 1 . 1 1 329 329 CYS C C 329 174.466 174.466 173.328 1.138 17812 98 1 . 1 1 329 329 CYS CA C 329 58.446 58.446 56.692 1.754 17812 99 1 . 1 1 329 329 CYS CB C 329 31.850 31.850 25.557 6.293 17812 100 1 . 1 1 329 329 CYS H H 329 8.372 8.372 7.675 0.697 17812 101 1 . 1 1 330 330 ALA N N 330 130.671 130.671 124.145 6.526 17812 102 1 . 1 1 330 330 ALA HA H 330 4.575 4.575 4.514 0.061 17812 103 1 . 1 1 330 330 ALA C C 330 175.000 175.000 175.250 -0.250 17812 104 1 . 1 1 330 330 ALA CA C 330 50.393 50.393 51.019 -0.626 17812 105 1 . 1 1 330 330 ALA CB C 330 19.244 19.244 20.932 -1.688 17812 106 1 . 1 1 330 330 ALA H H 330 7.030 7.030 7.570 -0.540 17812 107 1 . 1 1 331 331 CYS N N 331 118.585 118.585 120.035 -1.450 17812 108 1 . 1 1 331 331 CYS HA H 331 3.587 3.587 4.555 -0.968 17812 109 1 . 1 1 331 331 CYS C C 331 177.953 177.953 176.356 1.597 17812 110 1 . 1 1 331 331 CYS CA C 331 60.241 60.241 59.555 0.686 17812 111 1 . 1 1 331 331 CYS CB C 331 30.524 30.524 27.494 3.030 17812 112 1 . 1 1 331 331 CYS H H 331 7.081 7.081 8.709 -1.628 17812 113 1 . 1 1 332 332 HIS N N 332 127.546 127.546 126.889 0.657 17812 114 1 . 1 1 332 332 HIS HA H 332 4.752 4.752 4.242 0.510 17812 115 1 . 1 1 332 332 HIS C C 332 174.236 174.236 175.265 -1.029 17812 116 1 . 1 1 332 332 HIS CA C 332 56.287 56.287 58.699 -2.412 17812 117 1 . 1 1 332 332 HIS CB C 332 28.769 28.769 29.945 -1.176 17812 118 1 . 1 1 332 332 HIS H H 332 9.757 9.757 8.852 0.905 17812 119 1 . 1 1 333 333 LEU N N 333 118.061 118.061 117.519 0.542 17812 120 1 . 1 1 333 333 LEU HA H 333 4.580 4.580 4.117 0.463 17812 121 1 . 1 1 333 333 LEU C C 333 177.564 177.564 177.586 -0.022 17812 122 1 . 1 1 333 333 LEU CA C 333 56.046 56.046 55.180 0.866 17812 123 1 . 1 1 333 333 LEU CB C 333 42.986 42.986 42.575 0.411 17812 124 1 . 1 1 333 333 LEU H H 333 8.773 8.773 7.781 0.992 17812 125 1 . 1 1 334 334 CYS N N 334 118.393 118.393 117.263 1.130 17812 126 1 . 1 1 334 334 CYS HA H 334 5.084 5.084 4.418 0.666 17812 127 1 . 1 1 334 334 CYS C C 334 176.736 176.736 176.059 0.677 17812 128 1 . 1 1 334 334 CYS CA C 334 58.973 58.973 58.961 0.012 17812 129 1 . 1 1 334 334 CYS CB C 334 32.481 32.481 27.581 4.900 17812 130 1 . 1 1 334 334 CYS H H 334 8.310 8.310 8.432 -0.122 17812 131 1 . 1 1 335 335 GLY N N 335 115.992 115.992 111.308 4.684 17812 132 1 . 1 1 335 335 GLY C C 335 172.059 172.059 174.812 -2.753 17812 133 1 . 1 1 335 335 GLY CA C 335 45.652 45.652 45.440 0.212 17812 134 1 . 1 1 335 335 GLY H H 335 8.596 8.596 8.560 0.036 17812 135 1 . 1 1 336 336 GLY N N 336 111.360 111.360 107.286 4.074 17812 136 1 . 1 1 336 336 GLY C C 336 174.101 174.101 173.775 0.326 17812 137 1 . 1 1 336 336 GLY CA C 336 44.987 44.987 44.268 0.719 17812 138 1 . 1 1 336 336 GLY H H 336 9.594 9.594 7.867 1.727 17812 139 1 . 1 1 337 337 ARG N N 337 118.859 118.859 119.881 -1.022 17812 140 1 . 1 1 337 337 ARG HA H 337 4.413 4.413 4.412 0.001 17812 141 1 . 1 1 337 337 ARG C C 337 177.635 177.635 175.671 1.964 17812 142 1 . 1 1 337 337 ARG CA C 337 55.364 55.364 55.983 -0.619 17812 143 1 . 1 1 337 337 ARG CB C 337 31.337 31.337 30.448 0.889 17812 144 1 . 1 1 337 337 ARG H H 337 8.827 8.827 8.448 0.379 17812 145 1 . 1 1 338 338 GLN N N 338 120.950 120.950 120.255 0.696 17812 146 1 . 1 1 338 338 GLN HA H 338 4.376 4.376 4.310 0.066 17812 147 1 . 1 1 338 338 GLN C C 338 176.420 176.420 175.136 1.284 17812 148 1 . 1 1 338 338 GLN CA C 338 55.694 55.694 56.448 -0.754 17812 149 1 . 1 1 338 338 GLN CB C 338 28.096 28.096 29.597 -1.502 17812 150 1 . 1 1 338 338 GLN H H 338 9.568 9.568 8.336 1.232 17812 151 1 . 1 1 339 339 ASP N N 339 117.880 117.880 119.132 -1.252 17812 152 1 . 1 1 339 339 ASP HA H 339 4.625 4.625 4.557 0.068 17812 153 1 . 1 1 339 339 ASP CA C 339 55.283 55.283 54.064 1.219 17812 154 1 . 1 1 339 339 ASP CB C 339 41.092 41.092 40.120 0.972 17812 155 1 . 1 1 339 339 ASP H H 339 9.681 9.681 8.595 1.086 17812 156 1 . 1 1 340 340 PRO HA H 340 4.140 4.140 3.968 0.172 17812 157 1 . 1 1 340 340 PRO C C 340 177.463 177.463 177.902 -0.439 17812 158 1 . 1 1 340 340 PRO CA C 340 65.883 65.883 64.785 1.098 17812 159 1 . 1 1 340 340 PRO CB C 340 30.045 30.045 31.796 -1.751 17812 160 1 . 1 1 341 341 ASP N N 341 115.117 115.117 116.150 -1.033 17812 161 1 . 1 1 341 341 ASP HA H 341 4.642 4.642 4.385 0.257 17812 162 1 . 1 1 341 341 ASP C C 341 175.663 175.663 176.829 -1.166 17812 163 1 . 1 1 341 341 ASP CA C 341 54.735 54.735 55.847 -1.113 17812 164 1 . 1 1 341 341 ASP CB C 341 39.135 39.135 39.623 -0.488 17812 165 1 . 1 1 341 341 ASP H H 341 9.176 9.176 8.618 0.558 17812 166 1 . 1 1 342 342 LYS N N 342 117.582 117.582 117.171 0.411 17812 167 1 . 1 1 342 342 LYS HA H 342 4.351 4.351 4.325 0.026 17812 168 1 . 1 1 342 342 LYS CA C 342 54.496 54.496 55.740 -1.244 17812 169 1 . 1 1 342 342 LYS CB C 342 33.968 33.968 32.753 1.215 17812 170 1 . 1 1 342 342 LYS H H 342 8.056 8.056 7.474 0.582 17812 171 1 . 1 1 343 343 GLN N N 343 119.535 119.535 119.132 0.403 17812 172 1 . 1 1 343 343 GLN HA H 343 4.510 4.510 3.877 0.633 17812 173 1 . 1 1 343 343 GLN C C 343 175.176 175.176 175.019 0.157 17812 174 1 . 1 1 343 343 GLN CA C 343 54.652 54.652 55.383 -0.731 17812 175 1 . 1 1 343 343 GLN CB C 343 29.270 29.270 28.998 0.272 17812 176 1 . 1 1 343 343 GLN H H 343 7.174 7.174 7.106 0.068 17812 177 1 . 1 1 344 344 LEU N N 344 124.836 124.836 126.235 -1.399 17812 178 1 . 1 1 344 344 LEU HA H 344 4.307 4.307 4.576 -0.269 17812 179 1 . 1 1 344 344 LEU CA C 344 53.564 53.564 54.042 -0.478 17812 180 1 . 1 1 344 344 LEU CB C 344 44.381 44.381 43.750 0.631 17812 181 1 . 1 1 344 344 LEU H H 344 8.215 8.215 8.613 -0.398 17812 182 1 . 1 1 345 345 MET N N 345 119.349 119.349 122.295 -2.946 17812 183 1 . 1 1 345 345 MET HA H 345 5.433 5.433 5.344 0.089 17812 184 1 . 1 1 345 345 MET C C 345 175.462 175.462 175.507 -0.045 17812 185 1 . 1 1 345 345 MET CA C 345 52.877 52.877 53.952 -1.075 17812 186 1 . 1 1 345 345 MET CB C 345 32.312 32.312 35.534 -3.222 17812 187 1 . 1 1 345 345 MET H H 345 8.086 8.086 8.259 -0.173 17812 188 1 . 1 1 346 346 CYS N N 346 124.792 124.792 125.389 -0.597 17812 189 1 . 1 1 346 346 CYS HA H 346 4.751 4.751 4.820 -0.069 17812 190 1 . 1 1 346 346 CYS C C 346 177.998 177.998 175.937 2.061 17812 191 1 . 1 1 346 346 CYS CA C 346 60.088 60.088 58.094 1.994 17812 192 1 . 1 1 346 346 CYS CB C 346 32.345 32.345 29.351 2.994 17812 193 1 . 1 1 346 346 CYS H H 346 9.088 9.088 9.019 0.069 17812 194 1 . 1 1 347 347 ASP N N 347 129.440 129.440 127.820 1.620 17812 195 1 . 1 1 347 347 ASP HA H 347 4.624 4.624 4.635 -0.011 17812 196 1 . 1 1 347 347 ASP C C 347 174.755 174.755 177.687 -2.932 17812 197 1 . 1 1 347 347 ASP CA C 347 57.932 57.932 56.639 1.293 17812 198 1 . 1 1 347 347 ASP CB C 347 41.115 41.115 40.897 0.218 17812 199 1 . 1 1 347 347 ASP H H 347 9.154 9.154 8.772 0.382 17812 200 1 . 1 1 348 348 GLU N N 348 124.253 124.253 118.215 6.038 17812 201 1 . 1 1 348 348 GLU HA H 348 4.895 4.895 4.236 0.659 17812 202 1 . 1 1 348 348 GLU C C 348 176.439 176.439 177.543 -1.104 17812 203 1 . 1 1 348 348 GLU CA C 348 58.673 58.673 58.452 0.221 17812 204 1 . 1 1 348 348 GLU CB C 348 30.510 30.510 30.051 0.459 17812 205 1 . 1 1 348 348 GLU H H 348 9.615 9.615 8.701 0.914 17812 206 1 . 1 1 349 349 CYS N N 349 119.153 119.153 116.050 3.103 17812 207 1 . 1 1 349 349 CYS HA H 349 4.778 4.778 4.658 0.120 17812 208 1 . 1 1 349 349 CYS CA C 349 60.216 60.216 58.655 1.561 17812 209 1 . 1 1 349 349 CYS CB C 349 32.008 32.008 28.569 3.439 17812 210 1 . 1 1 349 349 CYS H H 349 8.522 8.522 7.712 0.810 17812 211 1 . 1 1 350 350 ASP N N 350 115.218 115.218 119.422 -4.204 17812 212 1 . 1 1 350 350 ASP HA H 350 4.492 4.492 4.400 0.092 17812 213 1 . 1 1 350 350 ASP CA C 350 55.086 55.086 55.562 -0.476 17812 214 1 . 1 1 350 350 ASP CB C 350 41.386 41.386 38.592 2.794 17812 215 1 . 1 1 350 350 ASP H H 350 7.813 7.813 8.731 -0.918 17812 216 1 . 1 1 351 351 MET N N 351 117.029 117.029 116.699 0.330 17812 217 1 . 1 1 351 351 MET HA H 351 4.520 4.520 4.730 -0.210 17812 218 1 . 1 1 351 351 MET C C 351 173.497 173.497 174.687 -1.190 17812 219 1 . 1 1 351 351 MET CA C 351 54.706 54.706 54.082 0.624 17812 220 1 . 1 1 351 351 MET CB C 351 34.605 34.605 36.716 -2.111 17812 221 1 . 1 1 351 351 MET H H 351 8.162 8.162 7.522 0.640 17812 222 1 . 1 1 352 352 ALA N N 352 123.068 123.068 122.776 0.292 17812 223 1 . 1 1 352 352 ALA HA H 352 5.528 5.528 5.423 0.105 17812 224 1 . 1 1 352 352 ALA C C 352 177.545 177.545 176.434 1.111 17812 225 1 . 1 1 352 352 ALA CA C 352 49.943 49.943 50.986 -1.043 17812 226 1 . 1 1 352 352 ALA CB C 352 22.111 22.111 20.749 1.362 17812 227 1 . 1 1 352 352 ALA H H 352 8.499 8.499 8.506 -0.007 17812 228 1 . 1 1 353 353 PHE N N 353 116.057 116.057 118.595 -2.538 17812 229 1 . 1 1 353 353 PHE HA H 353 5.106 5.106 4.939 0.167 17812 230 1 . 1 1 353 353 PHE C C 353 176.868 176.868 176.690 0.178 17812 231 1 . 1 1 353 353 PHE CA C 353 56.416 56.416 57.210 -0.794 17812 232 1 . 1 1 353 353 PHE CB C 353 43.111 43.111 43.400 -0.289 17812 233 1 . 1 1 353 353 PHE H H 353 9.164 9.164 8.251 0.913 17812 234 1 . 1 1 354 354 HIS N N 354 124.053 124.053 121.771 2.282 17812 235 1 . 1 1 354 354 HIS HA H 354 4.650 4.650 4.272 0.378 17812 236 1 . 1 1 354 354 HIS C C 354 180.505 180.505 176.962 3.543 17812 237 1 . 1 1 354 354 HIS CA C 354 58.931 58.931 57.414 1.517 17812 238 1 . 1 1 354 354 HIS CB C 354 31.235 31.235 29.599 1.636 17812 239 1 . 1 1 354 354 HIS H H 354 9.388 9.388 9.047 0.341 17812 240 1 . 1 1 355 355 ILE N N 355 115.081 115.081 117.387 -2.306 17812 241 1 . 1 1 355 355 ILE HA H 355 3.928 3.928 3.665 0.263 17812 242 1 . 1 1 355 355 ILE C C 355 175.451 175.451 175.967 -0.516 17812 243 1 . 1 1 355 355 ILE CA C 355 65.726 65.726 64.001 1.725 17812 244 1 . 1 1 355 355 ILE CB C 355 36.292 36.292 36.902 -0.610 17812 245 1 . 1 1 355 355 ILE H H 355 8.568 8.568 8.209 0.359 17812 246 1 . 1 1 356 356 TYR N N 356 110.787 110.787 113.038 -2.251 17812 247 1 . 1 1 356 356 TYR HA H 356 4.801 4.801 4.637 0.164 17812 248 1 . 1 1 356 356 TYR C C 356 177.073 177.073 175.567 1.506 17812 249 1 . 1 1 356 356 TYR CA C 356 55.362 55.362 57.615 -2.253 17812 250 1 . 1 1 356 356 TYR CB C 356 36.767 36.767 38.614 -1.847 17812 251 1 . 1 1 356 356 TYR H H 356 6.117 6.117 7.489 -1.372 17812 252 1 . 1 1 357 357 CYS N N 357 121.584 121.584 117.637 3.947 17812 253 1 . 1 1 357 357 CYS HA H 357 4.537 4.537 3.702 0.835 17812 254 1 . 1 1 357 357 CYS C C 357 174.868 174.868 175.270 -0.402 17812 255 1 . 1 1 357 357 CYS CA C 357 62.349 62.349 59.330 3.019 17812 256 1 . 1 1 357 357 CYS CB C 357 31.087 31.087 26.062 5.025 17812 257 1 . 1 1 357 357 CYS H H 357 7.603 7.603 7.013 0.590 17812 258 1 . 1 1 358 358 LEU N N 358 119.134 119.134 121.088 -1.954 17812 259 1 . 1 1 358 358 LEU HA H 358 4.040 4.040 4.261 -0.221 17812 260 1 . 1 1 358 358 LEU CA C 358 55.465 55.465 55.074 0.391 17812 261 1 . 1 1 358 358 LEU CB C 358 44.020 44.020 42.152 1.868 17812 262 1 . 1 1 358 358 LEU H H 358 6.387 6.387 7.369 -0.982 17812 263 1 . 1 1 359 359 ASP N N 359 117.020 117.020 121.825 -4.805 17812 264 1 . 1 1 359 359 ASP HA H 359 4.985 4.985 4.481 0.504 17812 265 1 . 1 1 359 359 ASP CA C 359 50.354 50.354 56.229 -5.874 17812 266 1 . 1 1 359 359 ASP CB C 359 43.465 43.465 39.693 3.772 17812 267 1 . 1 1 359 359 ASP H H 359 8.167 8.167 8.511 -0.344 17812 268 1 . 1 1 360 360 PRO HA H 360 5.202 5.202 4.554 0.648 17812 269 1 . 1 1 360 360 PRO CA C 360 62.131 62.131 61.995 0.136 17812 270 1 . 1 1 360 360 PRO CB C 360 33.173 33.173 31.359 1.814 17812 271 1 . 1 1 361 361 PRO HA H 361 4.462 4.462 4.533 -0.071 17812 272 1 . 1 1 361 361 PRO C C 361 177.733 177.733 177.047 0.686 17812 273 1 . 1 1 361 361 PRO CA C 361 63.068 63.068 62.000 1.068 17812 274 1 . 1 1 361 361 PRO CB C 361 32.301 32.301 32.818 -0.517 17812 275 1 . 1 1 362 362 LEU N N 362 121.043 121.043 121.104 -0.061 17812 276 1 . 1 1 362 362 LEU HA H 362 4.761 4.761 4.446 0.315 17812 277 1 . 1 1 362 362 LEU C C 362 177.392 177.392 178.130 -0.738 17812 278 1 . 1 1 362 362 LEU CA C 362 53.621 53.621 54.755 -1.134 17812 279 1 . 1 1 362 362 LEU CB C 362 43.759 43.759 42.193 1.566 17812 280 1 . 1 1 362 362 LEU H H 362 7.798 7.798 8.272 -0.474 17812 281 1 . 1 1 363 363 SER N N 363 115.324 115.324 116.617 -1.293 17812 282 1 . 1 1 363 363 SER HA H 363 4.377 4.377 4.328 0.049 17812 283 1 . 1 1 363 363 SER C C 363 174.070 174.070 174.534 -0.464 17812 284 1 . 1 1 363 363 SER CA C 363 59.341 59.341 60.034 -0.693 17812 285 1 . 1 1 363 363 SER CB C 363 63.871 63.871 63.588 0.283 17812 286 1 . 1 1 363 363 SER H H 363 8.899 8.899 8.623 0.276 17812 287 1 . 1 1 364 364 SER N N 364 112.898 112.898 114.615 -1.717 17812 288 1 . 1 1 364 364 SER HA H 364 4.451 4.451 4.594 -0.143 17812 289 1 . 1 1 364 364 SER C C 364 173.066 173.066 172.798 0.268 17812 290 1 . 1 1 364 364 SER CA C 364 56.852 56.852 57.761 -0.909 17812 291 1 . 1 1 364 364 SER CB C 364 65.197 65.197 64.756 0.441 17812 292 1 . 1 1 364 364 SER H H 364 7.460 7.460 7.678 -0.218 17812 293 1 . 1 1 365 365 VAL N N 365 123.433 123.433 124.060 -0.627 17812 294 1 . 1 1 365 365 VAL HA H 365 3.820 3.820 4.406 -0.586 17812 295 1 . 1 1 365 365 VAL CA C 365 61.613 61.613 59.352 2.260 17812 296 1 . 1 1 365 365 VAL CB C 365 32.428 32.428 33.041 -0.613 17812 297 1 . 1 1 365 365 VAL H H 365 8.695 8.695 8.273 0.422 17812 298 1 . 1 1 366 366 PRO HA H 366 4.457 4.457 4.668 -0.211 17812 299 1 . 1 1 366 366 PRO C C 366 175.679 175.679 176.203 -0.524 17812 300 1 . 1 1 366 366 PRO CA C 366 63.224 63.224 62.831 0.393 17812 301 1 . 1 1 366 366 PRO CB C 366 32.526 32.526 32.560 -0.034 17812 302 1 . 1 1 367 367 SER N N 367 116.079 116.079 118.486 -2.407 17812 303 1 . 1 1 367 367 SER HA H 367 4.456 4.456 4.408 0.048 17812 304 1 . 1 1 367 367 SER C C 367 174.796 174.796 175.880 -1.084 17812 305 1 . 1 1 367 367 SER CA C 367 58.855 58.855 59.076 -0.221 17812 306 1 . 1 1 367 367 SER CB C 367 64.091 64.091 64.036 0.055 17812 307 1 . 1 1 367 367 SER H H 367 8.648 8.648 8.578 0.070 17812 308 1 . 1 1 368 368 GLU N N 368 122.642 122.642 121.126 1.516 17812 309 1 . 1 1 368 368 GLU HA H 368 4.275 4.275 4.223 0.052 17812 310 1 . 1 1 368 368 GLU CA C 368 57.631 57.631 57.568 0.063 17812 311 1 . 1 1 368 368 GLU CB C 368 30.124 30.124 30.002 0.122 17812 312 1 . 1 1 368 368 GLU H H 368 8.629 8.629 8.560 0.069 17812 313 1 . 1 1 369 369 ASP N N 369 120.686 120.686 119.938 0.748 17812 314 1 . 1 1 369 369 ASP HA H 369 4.332 4.332 4.681 -0.349 17812 315 1 . 1 1 369 369 ASP CA C 369 57.181 57.181 53.729 3.452 17812 316 1 . 1 1 369 369 ASP CB C 369 41.404 41.404 41.175 0.229 17812 317 1 . 1 1 369 369 ASP H H 369 8.614 8.614 8.051 0.563 17812 318 1 . 1 1 370 370 GLU N N 370 115.631 115.631 121.801 -6.170 17812 319 1 . 1 1 370 370 GLU HA H 370 4.861 4.861 4.334 0.527 17812 320 1 . 1 1 370 370 GLU C C 370 175.047 175.047 175.840 -0.793 17812 321 1 . 1 1 370 370 GLU CA C 370 54.687 54.687 56.119 -1.432 17812 322 1 . 1 1 370 370 GLU CB C 370 32.837 32.837 30.472 2.365 17812 323 1 . 1 1 370 370 GLU H H 370 7.823 7.823 8.531 -0.708 17812 324 1 . 1 1 371 371 TRP N N 371 124.056 124.056 124.821 -0.765 17812 325 1 . 1 1 371 371 TRP HA H 371 4.311 4.311 4.684 -0.373 17812 326 1 . 1 1 371 371 TRP C C 371 171.586 171.586 173.668 -2.082 17812 327 1 . 1 1 371 371 TRP CA C 371 59.845 59.845 56.260 3.585 17812 328 1 . 1 1 371 371 TRP CB C 371 31.317 31.317 30.460 0.857 17812 329 1 . 1 1 371 371 TRP H H 371 9.205 9.205 8.419 0.786 17812 330 1 . 1 1 372 372 TYR N N 372 122.933 122.933 122.904 0.029 17812 331 1 . 1 1 372 372 TYR HA H 372 5.217 5.217 4.100 1.117 17812 332 1 . 1 1 372 372 TYR C C 372 173.821 173.821 174.944 -1.123 17812 333 1 . 1 1 372 372 TYR CA C 372 54.963 54.963 55.592 -0.629 17812 334 1 . 1 1 372 372 TYR CB C 372 41.593 41.593 40.344 1.249 17812 335 1 . 1 1 372 372 TYR H H 372 6.907 6.907 7.826 -0.919 17812 336 1 . 1 1 373 373 CYS N N 373 127.647 127.647 120.789 6.858 17812 337 1 . 1 1 373 373 CYS HA H 373 3.530 3.530 3.625 -0.095 17812 338 1 . 1 1 373 373 CYS CA C 373 57.539 57.539 55.704 1.835 17812 339 1 . 1 1 373 373 CYS CB C 373 30.549 30.549 26.711 3.838 17812 340 1 . 1 1 373 373 CYS H H 373 9.310 9.310 8.108 1.202 17812 341 1 . 1 1 374 374 PRO HA H 374 3.987 3.987 4.022 -0.035 17812 342 1 . 1 1 374 374 PRO C C 374 178.008 178.008 178.522 -0.514 17812 343 1 . 1 1 374 374 PRO CA C 374 65.504 65.504 65.469 0.035 17812 344 1 . 1 1 374 374 PRO CB C 374 32.293 32.293 31.783 0.510 17812 345 1 . 1 1 375 375 GLU N N 375 116.759 116.759 117.957 -1.198 17812 346 1 . 1 1 375 375 GLU HA H 375 4.237 4.237 4.121 0.116 17812 347 1 . 1 1 375 375 GLU C C 375 177.054 177.054 178.277 -1.223 17812 348 1 . 1 1 375 375 GLU CA C 375 58.479 58.479 59.050 -0.571 17812 349 1 . 1 1 375 375 GLU CB C 375 30.939 30.939 29.343 1.596 17812 350 1 . 1 1 375 375 GLU H H 375 8.111 8.111 8.762 -0.651 17812 351 1 . 1 1 376 376 CYS N N 376 122.642 122.642 116.578 6.064 17812 352 1 . 1 1 376 376 CYS HA H 376 4.055 4.055 4.303 -0.248 17812 353 1 . 1 1 376 376 CYS CA C 376 62.498 62.498 60.994 1.504 17812 354 1 . 1 1 376 376 CYS CB C 376 31.379 31.379 26.343 5.036 17812 355 1 . 1 1 376 376 CYS H H 376 8.075 8.075 7.700 0.375 17812 356 1 . 1 1 377 377 ARG N N 377 117.680 117.680 120.156 -2.476 17812 357 1 . 1 1 377 377 ARG HA H 377 3.948 3.948 4.057 -0.109 17812 358 1 . 1 1 377 377 ARG C C 377 56.425 56.425 177.441 -121.016 17812 359 1 . 1 1 377 377 ARG CB C 377 30.678 30.678 29.764 0.914 17812 360 1 . 1 1 377 377 ARG H H 377 7.856 7.856 7.779 0.077 17812 361 1 . 1 1 378 378 ASN N N 378 119.726 119.726 115.898 3.829 17812 362 1 . 1 1 378 378 ASN HA H 378 4.695 4.695 4.576 0.119 17812 363 1 . 1 1 378 378 ASN C C 378 173.554 173.554 174.990 -1.436 17812 364 1 . 1 1 378 378 ASN CA C 378 53.204 53.204 53.836 -0.632 17812 365 1 . 1 1 378 378 ASN CB C 378 39.516 39.516 38.130 1.386 17812 366 1 . 1 1 378 378 ASN H H 378 8.189 8.189 7.900 0.289 17812 stop_ save_