data_25667 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25667 _Entry.PDB_ID 2N4G 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 25667 _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 1 313 313 PHE C C 313 175.149 175.149 174.515 0.634 25667 2 1 1 . 1 1 314 314 GLY N N 314 110.148 110.148 114.327 -4.179 25667 3 1 1 . 1 1 314 314 GLY C C 314 173.918 173.918 173.151 0.767 25667 4 1 1 . 1 1 314 314 GLY CA C 314 45.059 45.059 45.674 -0.615 25667 5 1 1 . 1 1 314 314 GLY H H 314 8.338 8.338 7.975 0.363 25667 6 1 1 . 1 1 315 315 ALA N N 315 123.626 123.626 126.720 -3.094 25667 7 1 1 . 1 1 315 315 ALA HA H 315 4.251 4.251 4.532 -0.281 25667 8 1 1 . 1 1 315 315 ALA H H 315 8.032 8.032 8.159 -0.127 25667 9 1 1 . 1 1 316 316 PHE N N 316 117.829 117.829 120.714 -2.885 25667 10 1 1 . 1 1 316 316 PHE HA H 316 4.463 4.463 4.564 -0.101 25667 11 1 1 . 1 1 316 316 PHE C C 316 175.568 175.568 176.001 -0.433 25667 12 1 1 . 1 1 316 316 PHE H H 316 8.286 8.286 7.895 0.391 25667 13 1 1 . 1 1 317 317 SER N N 317 116.896 116.896 117.865 -0.969 25667 14 1 1 . 1 1 317 317 SER HA H 317 4.441 4.441 4.036 0.405 25667 15 1 1 . 1 1 317 317 SER C C 317 174.661 174.661 174.007 0.654 25667 16 1 1 . 1 1 317 317 SER CB C 317 63.893 63.893 61.942 1.951 25667 17 1 1 . 1 1 317 317 SER H H 317 8.056 8.056 8.908 -0.852 25667 18 1 1 . 1 1 318 318 ILE N N 318 121.668 121.668 125.410 -3.742 25667 19 1 1 . 1 1 318 318 ILE HA H 318 4.262 4.262 3.918 0.344 25667 20 1 1 . 1 1 318 318 ILE C C 318 175.540 175.540 174.384 1.156 25667 21 1 1 . 1 1 318 318 ILE CA C 318 61.601 61.601 61.046 0.555 25667 22 1 1 . 1 1 318 318 ILE CB C 318 39.035 39.035 37.700 1.335 25667 23 1 1 . 1 1 318 318 ILE H H 318 8.047 8.047 7.825 0.222 25667 24 1 1 . 1 1 319 319 ASN N N 319 123.549 123.549 127.224 -3.675 25667 25 1 1 . 1 1 319 319 ASN HA H 319 4.741 4.741 4.900 -0.159 25667 26 1 1 . 1 1 319 319 ASN H H 319 8.419 8.419 8.285 0.134 25667 27 1 1 . 1 1 320 320 PRO C C 320 174.975 174.975 176.759 -1.784 25667 28 1 1 . 1 1 321 321 ALA N N 321 121.415 121.415 127.019 -5.604 25667 29 1 1 . 1 1 321 321 ALA HA H 321 4.182 4.182 4.114 0.068 25667 30 1 1 . 1 1 321 321 ALA CA C 321 53.258 53.258 54.514 -1.256 25667 31 1 1 . 1 1 321 321 ALA CB C 321 18.398 18.398 18.673 -0.275 25667 32 1 1 . 1 1 321 321 ALA H H 321 8.170 8.170 8.558 -0.388 25667 33 1 1 . 1 1 322 322 MET N N 322 118.223 118.223 115.503 2.720 25667 34 1 1 . 1 1 322 322 MET HA H 322 4.414 4.414 4.163 0.251 25667 35 1 1 . 1 1 322 322 MET C C 322 176.718 176.718 178.117 -1.399 25667 36 1 1 . 1 1 322 322 MET CA C 322 56.000 56.000 58.373 -2.373 25667 37 1 1 . 1 1 322 322 MET CB C 322 32.106 32.106 31.884 0.222 25667 38 1 1 . 1 1 322 322 MET H H 322 8.001 8.001 8.224 -0.223 25667 39 1 1 . 1 1 323 323 MET N N 323 120.466 120.466 118.148 2.318 25667 40 1 1 . 1 1 323 323 MET HA H 323 4.339 4.339 4.241 0.098 25667 41 1 1 . 1 1 323 323 MET C C 323 177.799 177.799 178.538 -0.739 25667 42 1 1 . 1 1 323 323 MET CA C 323 56.191 56.191 56.890 -0.699 25667 43 1 1 . 1 1 323 323 MET CB C 323 31.874 31.874 31.137 0.737 25667 44 1 1 . 1 1 323 323 MET H H 323 8.011 8.011 7.607 0.404 25667 45 1 1 . 1 1 324 324 ALA N N 324 123.816 123.816 121.387 2.429 25667 46 1 1 . 1 1 324 324 ALA HA H 324 4.257 4.257 4.065 0.192 25667 47 1 1 . 1 1 324 324 ALA H H 324 8.183 8.183 7.804 0.379 25667 48 1 1 . 1 1 325 325 ALA C C 325 174.696 174.696 179.415 -4.719 25667 49 1 1 . 1 1 325 325 ALA CA C 325 53.257 53.257 54.811 -1.554 25667 50 1 1 . 1 1 325 325 ALA CB C 325 18.466 18.466 18.346 0.120 25667 51 1 1 . 1 1 326 326 ALA N N 326 122.221 122.221 119.627 2.594 25667 52 1 1 . 1 1 326 326 ALA HA H 326 4.331 4.331 4.065 0.266 25667 53 1 1 . 1 1 326 326 ALA C C 326 177.381 177.381 179.699 -2.318 25667 54 1 1 . 1 1 326 326 ALA CA C 326 52.677 52.677 54.873 -2.196 25667 55 1 1 . 1 1 326 326 ALA CB C 326 18.722 18.722 18.297 0.425 25667 56 1 1 . 1 1 326 326 ALA H H 326 8.078 8.078 7.769 0.309 25667 57 1 1 . 1 1 327 327 GLN N N 327 118.366 118.366 117.589 0.777 25667 58 1 1 . 1 1 327 327 GLN HA H 327 4.183 4.183 4.126 0.057 25667 59 1 1 . 1 1 327 327 GLN C C 327 172.918 172.918 178.301 -5.383 25667 60 1 1 . 1 1 327 327 GLN CA C 327 56.701 56.701 58.030 -1.329 25667 61 1 1 . 1 1 327 327 GLN CB C 327 28.906 28.906 28.258 0.648 25667 62 1 1 . 1 1 327 327 GLN H H 327 8.099 8.099 7.439 0.660 25667 63 1 1 . 1 1 328 328 ALA N N 328 123.574 123.574 120.957 2.617 25667 64 1 1 . 1 1 328 328 ALA HA H 328 4.338 4.338 4.134 0.204 25667 65 1 1 . 1 1 328 328 ALA C C 328 176.126 176.126 178.756 -2.630 25667 66 1 1 . 1 1 328 328 ALA CA C 328 53.212 53.212 53.758 -0.546 25667 67 1 1 . 1 1 328 328 ALA CB C 328 18.520 18.520 18.231 0.289 25667 68 1 1 . 1 1 328 328 ALA H H 328 8.107 8.107 7.993 0.114 25667 69 1 1 . 1 1 329 329 ALA N N 329 121.502 121.502 122.120 -0.618 25667 70 1 1 . 1 1 329 329 ALA HA H 329 4.199 4.199 4.172 0.027 25667 71 1 1 . 1 1 329 329 ALA CA C 329 52.809 52.809 54.403 -1.594 25667 72 1 1 . 1 1 329 329 ALA CB C 329 18.545 18.545 18.373 0.172 25667 73 1 1 . 1 1 329 329 ALA H H 329 7.985 7.985 7.414 0.571 25667 74 1 1 . 1 1 330 330 LEU N N 330 120.175 120.175 117.816 2.359 25667 75 1 1 . 1 1 330 330 LEU HA H 330 4.258 4.258 4.177 0.081 25667 76 1 1 . 1 1 330 330 LEU C C 330 178.078 178.078 177.995 0.083 25667 77 1 1 . 1 1 330 330 LEU CA C 330 56.445 56.445 55.934 0.511 25667 78 1 1 . 1 1 330 330 LEU CB C 330 41.810 41.810 41.205 0.605 25667 79 1 1 . 1 1 330 330 LEU H H 330 7.900 7.900 7.639 0.261 25667 80 1 1 . 1 1 331 331 GLN N N 331 120.194 120.194 115.153 5.041 25667 81 1 1 . 1 1 331 331 GLN HA H 331 4.071 4.071 3.796 0.275 25667 82 1 1 . 1 1 331 331 GLN CA C 331 56.131 56.131 57.573 -1.442 25667 83 1 1 . 1 1 331 331 GLN CB C 331 29.094 29.094 27.248 1.846 25667 84 1 1 . 1 1 331 331 GLN H H 331 8.310 8.310 7.667 0.643 25667 85 1 1 . 1 1 332 332 SER N N 332 115.944 115.944 115.302 0.642 25667 86 1 1 . 1 1 332 332 SER HA H 332 4.421 4.421 3.843 0.578 25667 87 1 1 . 1 1 332 332 SER H H 332 8.245 8.245 8.281 -0.036 25667 88 1 1 . 1 1 333 333 SER N N 333 117.327 117.327 115.865 1.462 25667 89 1 1 . 1 1 333 333 SER C C 333 174.661 174.661 174.169 0.492 25667 90 1 1 . 1 1 333 333 SER H H 333 8.143 8.143 8.034 0.109 25667 91 1 1 . 1 1 334 334 TRP N N 334 123.002 123.002 126.763 -3.761 25667 92 1 1 . 1 1 334 334 TRP HA H 334 4.646 4.646 4.933 -0.287 25667 93 1 1 . 1 1 334 334 TRP C C 334 176.928 176.928 175.047 1.881 25667 94 1 1 . 1 1 334 334 TRP CA C 334 56.099 56.099 56.774 -0.675 25667 95 1 1 . 1 1 334 334 TRP CB C 334 31.916 31.916 30.894 1.022 25667 96 1 1 . 1 1 334 334 TRP H H 334 8.092 8.092 8.625 -0.533 25667 97 1 1 . 1 1 335 335 ASP N N 335 119.016 119.016 121.949 -2.933 25667 98 1 1 . 1 1 335 335 ASP HA H 335 4.416 4.416 4.686 -0.270 25667 99 1 1 . 1 1 335 335 ASP C C 335 176.300 176.300 175.975 0.325 25667 100 1 1 . 1 1 335 335 ASP CA C 335 54.354 54.354 54.968 -0.614 25667 101 1 1 . 1 1 335 335 ASP CB C 335 40.572 40.572 41.676 -1.104 25667 102 1 1 . 1 1 335 335 ASP H H 335 8.205 8.205 8.755 -0.550 25667 103 1 1 . 1 1 336 336 MET N N 336 120.419 120.419 119.017 1.402 25667 104 1 1 . 1 1 336 336 MET HA H 336 3.988 3.988 4.579 -0.591 25667 105 1 1 . 1 1 336 336 MET C C 336 175.707 175.707 175.930 -0.223 25667 106 1 1 . 1 1 336 336 MET CA C 336 55.159 55.159 56.227 -1.068 25667 107 1 1 . 1 1 336 336 MET CB C 336 31.874 31.874 33.576 -1.702 25667 108 1 1 . 1 1 336 336 MET H H 336 8.063 8.063 8.068 -0.005 25667 109 1 1 . 1 1 337 337 MET N N 337 119.862 119.862 119.975 -0.113 25667 110 1 1 . 1 1 337 337 MET HA H 337 4.678 4.678 4.594 0.084 25667 111 1 1 . 1 1 337 337 MET C C 337 177.451 177.451 176.300 1.151 25667 112 1 1 . 1 1 337 337 MET CA C 337 56.106 56.106 55.664 0.442 25667 113 1 1 . 1 1 337 337 MET CB C 337 32.013 32.013 32.951 -0.938 25667 114 1 1 . 1 1 337 337 MET H H 337 8.346 8.346 8.288 0.058 25667 115 1 1 . 1 1 338 338 GLY N N 338 109.026 109.026 107.982 1.044 25667 116 1 1 . 1 1 338 338 GLY C C 338 174.731 174.731 174.772 -0.041 25667 117 1 1 . 1 1 338 338 GLY CA C 338 45.575 45.575 44.973 0.602 25667 118 1 1 . 1 1 338 338 GLY H H 338 8.254 8.254 8.596 -0.342 25667 119 1 1 . 1 1 339 339 MET N N 339 120.118 120.118 124.989 -4.871 25667 120 1 1 . 1 1 339 339 MET HA H 339 4.410 4.410 4.023 0.387 25667 121 1 1 . 1 1 339 339 MET C C 339 176.753 176.753 177.489 -0.736 25667 122 1 1 . 1 1 339 339 MET CA C 339 56.247 56.247 58.650 -2.403 25667 123 1 1 . 1 1 339 339 MET CB C 339 31.844 31.844 32.416 -0.573 25667 124 1 1 . 1 1 339 339 MET H H 339 8.068 8.068 8.278 -0.210 25667 125 1 1 . 1 1 340 340 LEU N N 340 122.097 122.097 119.210 2.887 25667 126 1 1 . 1 1 340 340 LEU HA H 340 4.323 4.323 3.937 0.386 25667 127 1 1 . 1 1 340 340 LEU CA C 340 55.336 55.336 56.944 -1.608 25667 128 1 1 . 1 1 340 340 LEU CB C 340 41.950 41.950 39.435 2.515 25667 129 1 1 . 1 1 340 340 LEU H H 340 8.177 8.177 7.585 0.592 25667 130 1 1 . 1 1 341 341 ALA N N 341 123.844 123.844 119.945 3.899 25667 131 1 1 . 1 1 341 341 ALA HA H 341 4.334 4.334 4.132 0.202 25667 132 1 1 . 1 1 341 341 ALA C C 341 178.324 178.324 179.149 -0.825 25667 133 1 1 . 1 1 341 341 ALA CA C 341 53.129 53.129 54.310 -1.181 25667 134 1 1 . 1 1 341 341 ALA CB C 341 18.659 18.659 18.529 0.130 25667 135 1 1 . 1 1 341 341 ALA H H 341 8.180 8.180 7.541 0.639 25667 136 1 1 . 1 1 342 342 SER N N 342 113.799 113.799 112.700 1.099 25667 137 1 1 . 1 1 342 342 SER HA H 342 4.395 4.395 4.559 -0.164 25667 138 1 1 . 1 1 342 342 SER C C 342 174.975 174.975 176.427 -1.452 25667 139 1 1 . 1 1 342 342 SER CA C 342 58.511 58.511 59.354 -0.843 25667 140 1 1 . 1 1 342 342 SER CB C 342 63.372 63.372 63.964 -0.592 25667 141 1 1 . 1 1 342 342 SER H H 342 8.096 8.096 7.855 0.241 25667 142 1 1 . 1 1 343 343 GLN N N 343 121.045 121.045 120.593 0.452 25667 143 1 1 . 1 1 343 343 GLN HA H 343 4.515 4.515 4.141 0.374 25667 144 1 1 . 1 1 343 343 GLN C C 343 176.230 176.230 176.836 -0.606 25667 145 1 1 . 1 1 343 343 GLN CA C 343 55.882 55.882 57.895 -2.013 25667 146 1 1 . 1 1 343 343 GLN CB C 343 29.175 29.175 28.698 0.477 25667 147 1 1 . 1 1 343 343 GLN H H 343 8.219 8.219 7.655 0.564 25667 148 1 1 . 1 1 344 344 GLN N N 344 120.302 120.302 115.038 5.264 25667 149 1 1 . 1 1 344 344 GLN HA H 344 4.398 4.398 4.195 0.203 25667 150 1 1 . 1 1 344 344 GLN CA C 344 55.771 55.771 56.133 -0.362 25667 151 1 1 . 1 1 344 344 GLN CB C 344 29.284 29.284 28.764 0.520 25667 152 1 1 . 1 1 344 344 GLN H H 344 8.238 8.238 7.620 0.618 25667 153 1 1 . 1 1 345 345 ASN N N 345 119.326 119.326 119.974 -0.648 25667 154 1 1 . 1 1 345 345 ASN HA H 345 4.694 4.694 4.809 -0.115 25667 155 1 1 . 1 1 345 345 ASN C C 345 175.289 175.289 174.289 1.000 25667 156 1 1 . 1 1 345 345 ASN CA C 345 53.413 53.413 52.312 1.101 25667 157 1 1 . 1 1 345 345 ASN CB C 345 38.461 38.461 37.681 0.780 25667 158 1 1 . 1 1 345 345 ASN H H 345 8.408 8.408 7.537 0.871 25667 159 1 1 . 1 1 346 346 GLN N N 346 120.640 120.640 123.451 -2.811 25667 160 1 1 . 1 1 346 346 GLN HA H 346 4.057 4.057 4.432 -0.375 25667 161 1 1 . 1 1 346 346 GLN C C 346 176.009 176.009 175.441 0.568 25667 162 1 1 . 1 1 346 346 GLN CA C 346 55.671 55.671 56.476 -0.805 25667 163 1 1 . 1 1 346 346 GLN CB C 346 29.049 29.049 27.883 1.166 25667 164 1 1 . 1 1 346 346 GLN H H 346 8.366 8.366 8.220 0.146 25667 165 1 1 . 1 1 347 347 SER N N 347 116.808 116.808 117.588 -0.780 25667 166 1 1 . 1 1 347 347 SER HA H 347 4.506 4.506 4.611 -0.105 25667 167 1 1 . 1 1 347 347 SER C C 347 174.595 174.595 173.990 0.605 25667 168 1 1 . 1 1 347 347 SER CA C 347 58.548 58.548 57.643 0.905 25667 169 1 1 . 1 1 347 347 SER CB C 347 64.048 64.048 63.658 0.390 25667 170 1 1 . 1 1 347 347 SER H H 347 8.364 8.364 8.149 0.214 25667 171 1 1 . 1 1 348 348 GLY N N 348 110.627 110.627 112.107 -1.480 25667 172 1 1 . 1 1 348 348 GLY H H 348 8.221 8.221 8.254 -0.033 25667 173 1 1 . 1 1 349 349 PRO C C 349 177.497 177.497 177.015 0.482 25667 174 1 1 . 1 1 349 349 PRO CA C 349 63.262 63.262 63.909 -0.647 25667 175 1 1 . 1 1 349 349 PRO CB C 349 31.949 31.949 31.983 -0.034 25667 176 1 1 . 1 1 350 350 SER N N 350 115.992 115.992 113.836 2.156 25667 177 1 1 . 1 1 350 350 SER C C 350 175.193 175.193 174.183 1.010 25667 178 1 1 . 1 1 350 350 SER CA C 350 58.568 58.568 57.866 0.702 25667 179 1 1 . 1 1 350 350 SER CB C 350 63.900 63.900 63.600 0.300 25667 180 1 1 . 1 1 350 350 SER H H 350 8.474 8.474 8.012 0.462 25667 181 1 1 . 1 1 351 351 GLY N N 351 110.440 110.440 110.176 0.264 25667 182 1 1 . 1 1 351 351 GLY H H 351 8.352 8.352 7.564 0.788 25667 183 1 1 . 1 1 353 353 ASN CA C 353 53.555 53.555 53.531 0.024 25667 184 1 1 . 1 1 353 353 ASN CB C 353 38.461 38.461 37.873 0.588 25667 185 1 1 . 1 1 354 354 GLN N N 354 120.218 120.218 121.819 -1.601 25667 186 1 1 . 1 1 354 354 GLN HA H 354 4.307 4.307 4.331 -0.024 25667 187 1 1 . 1 1 354 354 GLN C C 354 175.916 175.916 175.425 0.491 25667 188 1 1 . 1 1 354 354 GLN CA C 354 55.948 55.948 55.135 0.813 25667 189 1 1 . 1 1 354 354 GLN CB C 354 29.163 29.163 27.582 1.581 25667 190 1 1 . 1 1 354 354 GLN H H 354 8.388 8.388 7.967 0.421 25667 191 1 1 . 1 1 355 355 ASN N N 355 119.285 119.285 119.599 -0.314 25667 192 1 1 . 1 1 355 355 ASN HA H 355 4.697 4.697 4.708 -0.011 25667 193 1 1 . 1 1 355 355 ASN C C 355 175.114 175.114 175.207 -0.093 25667 194 1 1 . 1 1 355 355 ASN CA C 355 53.239 53.239 53.497 -0.258 25667 195 1 1 . 1 1 355 355 ASN CB C 355 38.581 38.581 39.122 -0.541 25667 196 1 1 . 1 1 355 355 ASN H H 355 8.457 8.457 7.737 0.720 25667 197 1 1 . 1 1 356 356 GLN N N 356 119.185 119.185 121.118 -1.933 25667 198 1 1 . 1 1 356 356 GLN HA H 356 4.776 4.776 4.243 0.533 25667 199 1 1 . 1 1 356 356 GLN C C 356 176.405 176.405 176.475 -0.070 25667 200 1 1 . 1 1 356 356 GLN CA C 356 55.865 55.865 55.989 -0.124 25667 201 1 1 . 1 1 356 356 GLN CB C 356 29.239 29.239 27.770 1.469 25667 202 1 1 . 1 1 356 356 GLN H H 356 8.469 8.469 8.664 -0.195 25667 203 1 1 . 1 1 357 357 GLY N N 357 109.452 109.452 114.673 -5.221 25667 204 1 1 . 1 1 357 357 GLY C C 357 173.923 173.923 173.312 0.611 25667 205 1 1 . 1 1 357 357 GLY CA C 357 45.488 45.488 45.138 0.350 25667 206 1 1 . 1 1 357 357 GLY H H 357 8.424 8.424 8.238 0.186 25667 207 1 1 . 1 1 358 358 ASN N N 358 118.477 118.477 118.684 -0.207 25667 208 1 1 . 1 1 358 358 ASN HA H 358 4.736 4.736 4.688 0.048 25667 209 1 1 . 1 1 358 358 ASN C C 358 175.184 175.184 175.731 -0.547 25667 210 1 1 . 1 1 358 358 ASN CA C 358 53.406 53.406 52.972 0.434 25667 211 1 1 . 1 1 358 358 ASN CB C 358 38.470 38.470 39.728 -1.258 25667 212 1 1 . 1 1 358 358 ASN H H 358 8.295 8.295 8.463 -0.168 25667 213 1 1 . 1 1 359 359 MET N N 359 120.987 120.987 121.275 -0.288 25667 214 1 1 . 1 1 359 359 MET HA H 359 4.482 4.482 4.568 -0.086 25667 215 1 1 . 1 1 359 359 MET C C 359 175.289 175.289 176.210 -0.921 25667 216 1 1 . 1 1 359 359 MET CA C 359 55.358 55.358 56.295 -0.937 25667 217 1 1 . 1 1 359 359 MET CB C 359 33.212 33.212 31.058 2.154 25667 218 1 1 . 1 1 359 359 MET H H 359 8.349 8.349 8.337 0.012 25667 219 1 2 . 1 1 313 313 PHE C C 313 175.149 175.149 176.610 -1.461 25667 220 1 2 . 1 1 314 314 GLY N N 314 110.148 110.148 109.488 0.660 25667 221 1 2 . 1 1 314 314 GLY C C 314 173.918 173.918 173.878 0.040 25667 222 1 2 . 1 1 314 314 GLY CA C 314 45.059 45.059 44.161 0.898 25667 223 1 2 . 1 1 314 314 GLY H H 314 8.338 8.338 8.176 0.162 25667 224 1 2 . 1 1 315 315 ALA N N 315 123.626 123.626 124.179 -0.553 25667 225 1 2 . 1 1 315 315 ALA HA H 315 4.251 4.251 4.438 -0.187 25667 226 1 2 . 1 1 315 315 ALA H H 315 8.032 8.032 7.837 0.195 25667 227 1 2 . 1 1 316 316 PHE N N 316 117.829 117.829 122.234 -4.405 25667 228 1 2 . 1 1 316 316 PHE HA H 316 4.463 4.463 4.447 0.016 25667 229 1 2 . 1 1 316 316 PHE C C 316 175.568 175.568 176.307 -0.739 25667 230 1 2 . 1 1 316 316 PHE H H 316 8.286 8.286 7.691 0.595 25667 231 1 2 . 1 1 317 317 SER N N 317 116.896 116.896 122.301 -5.405 25667 232 1 2 . 1 1 317 317 SER HA H 317 4.441 4.441 4.599 -0.158 25667 233 1 2 . 1 1 317 317 SER C C 317 174.661 174.661 174.592 0.069 25667 234 1 2 . 1 1 317 317 SER CB C 317 63.893 63.893 61.829 2.064 25667 235 1 2 . 1 1 317 317 SER H H 317 8.056 8.056 8.741 -0.685 25667 236 1 2 . 1 1 318 318 ILE N N 318 121.668 121.668 120.795 0.873 25667 237 1 2 . 1 1 318 318 ILE HA H 318 4.262 4.262 4.063 0.199 25667 238 1 2 . 1 1 318 318 ILE C C 318 175.540 175.540 176.432 -0.892 25667 239 1 2 . 1 1 318 318 ILE CA C 318 61.601 61.601 61.857 -0.256 25667 240 1 2 . 1 1 318 318 ILE CB C 318 39.035 39.035 37.738 1.297 25667 241 1 2 . 1 1 318 318 ILE H H 318 8.047 8.047 7.859 0.188 25667 242 1 2 . 1 1 319 319 ASN N N 319 123.549 123.549 120.408 3.141 25667 243 1 2 . 1 1 319 319 ASN HA H 319 4.741 4.741 5.083 -0.342 25667 244 1 2 . 1 1 319 319 ASN H H 319 8.419 8.419 7.936 0.483 25667 245 1 2 . 1 1 320 320 PRO C C 320 174.975 174.975 176.677 -1.702 25667 246 1 2 . 1 1 321 321 ALA N N 321 121.415 121.415 127.137 -5.722 25667 247 1 2 . 1 1 321 321 ALA HA H 321 4.182 4.182 4.211 -0.029 25667 248 1 2 . 1 1 321 321 ALA CA C 321 53.258 53.258 54.822 -1.564 25667 249 1 2 . 1 1 321 321 ALA CB C 321 18.398 18.398 18.833 -0.435 25667 250 1 2 . 1 1 321 321 ALA H H 321 8.170 8.170 8.587 -0.417 25667 251 1 2 . 1 1 322 322 MET N N 322 118.223 118.223 117.425 0.798 25667 252 1 2 . 1 1 322 322 MET HA H 322 4.414 4.414 4.160 0.254 25667 253 1 2 . 1 1 322 322 MET C C 322 176.718 176.718 178.334 -1.616 25667 254 1 2 . 1 1 322 322 MET CA C 322 56.000 56.000 58.471 -2.471 25667 255 1 2 . 1 1 322 322 MET CB C 322 32.106 32.106 32.168 -0.062 25667 256 1 2 . 1 1 322 322 MET H H 322 8.001 8.001 8.391 -0.390 25667 257 1 2 . 1 1 323 323 MET N N 323 120.466 120.466 118.590 1.876 25667 258 1 2 . 1 1 323 323 MET HA H 323 4.339 4.339 4.168 0.171 25667 259 1 2 . 1 1 323 323 MET C C 323 177.799 177.799 177.889 -0.090 25667 260 1 2 . 1 1 323 323 MET CA C 323 56.191 56.191 59.058 -2.867 25667 261 1 2 . 1 1 323 323 MET CB C 323 31.874 31.874 32.100 -0.226 25667 262 1 2 . 1 1 323 323 MET H H 323 8.011 8.011 7.679 0.332 25667 263 1 2 . 1 1 324 324 ALA N N 324 123.816 123.816 121.184 2.632 25667 264 1 2 . 1 1 324 324 ALA HA H 324 4.257 4.257 4.221 0.036 25667 265 1 2 . 1 1 324 324 ALA H H 324 8.183 8.183 7.733 0.450 25667 266 1 2 . 1 1 325 325 ALA C C 325 174.696 174.696 179.348 -4.652 25667 267 1 2 . 1 1 325 325 ALA CA C 325 53.257 53.257 54.801 -1.544 25667 268 1 2 . 1 1 325 325 ALA CB C 325 18.466 18.466 18.408 0.058 25667 269 1 2 . 1 1 326 326 ALA N N 326 122.221 122.221 118.672 3.549 25667 270 1 2 . 1 1 326 326 ALA HA H 326 4.331 4.331 4.110 0.221 25667 271 1 2 . 1 1 326 326 ALA C C 326 177.381 177.381 179.954 -2.573 25667 272 1 2 . 1 1 326 326 ALA CA C 326 52.677 52.677 54.663 -1.986 25667 273 1 2 . 1 1 326 326 ALA CB C 326 18.722 18.722 18.372 0.350 25667 274 1 2 . 1 1 326 326 ALA H H 326 8.078 8.078 8.256 -0.178 25667 275 1 2 . 1 1 327 327 GLN N N 327 118.366 118.366 117.895 0.471 25667 276 1 2 . 1 1 327 327 GLN HA H 327 4.183 4.183 4.215 -0.032 25667 277 1 2 . 1 1 327 327 GLN C C 327 172.918 172.918 177.746 -4.828 25667 278 1 2 . 1 1 327 327 GLN CA C 327 56.701 56.701 57.976 -1.275 25667 279 1 2 . 1 1 327 327 GLN CB C 327 28.906 28.906 29.259 -0.353 25667 280 1 2 . 1 1 327 327 GLN H H 327 8.099 8.099 7.589 0.510 25667 281 1 2 . 1 1 328 328 ALA N N 328 123.574 123.574 121.936 1.638 25667 282 1 2 . 1 1 328 328 ALA HA H 328 4.338 4.338 4.774 -0.436 25667 283 1 2 . 1 1 328 328 ALA C C 328 176.126 176.126 179.205 -3.079 25667 284 1 2 . 1 1 328 328 ALA CA C 328 53.212 53.212 54.147 -0.935 25667 285 1 2 . 1 1 328 328 ALA CB C 328 18.520 18.520 18.815 -0.295 25667 286 1 2 . 1 1 328 328 ALA H H 328 8.107 8.107 7.769 0.338 25667 287 1 2 . 1 1 329 329 ALA N N 329 121.502 121.502 120.855 0.647 25667 288 1 2 . 1 1 329 329 ALA HA H 329 4.199 4.199 4.150 0.049 25667 289 1 2 . 1 1 329 329 ALA CA C 329 52.809 52.809 54.386 -1.577 25667 290 1 2 . 1 1 329 329 ALA CB C 329 18.545 18.545 18.675 -0.130 25667 291 1 2 . 1 1 329 329 ALA H H 329 7.985 7.985 8.371 -0.386 25667 292 1 2 . 1 1 330 330 LEU N N 330 120.175 120.175 117.617 2.558 25667 293 1 2 . 1 1 330 330 LEU HA H 330 4.258 4.258 4.149 0.109 25667 294 1 2 . 1 1 330 330 LEU C C 330 178.078 178.078 177.817 0.261 25667 295 1 2 . 1 1 330 330 LEU CA C 330 56.445 56.445 56.889 -0.444 25667 296 1 2 . 1 1 330 330 LEU CB C 330 41.810 41.810 42.550 -0.740 25667 297 1 2 . 1 1 330 330 LEU H H 330 7.900 7.900 7.688 0.212 25667 298 1 2 . 1 1 331 331 GLN N N 331 120.194 120.194 114.840 5.354 25667 299 1 2 . 1 1 331 331 GLN HA H 331 4.071 4.071 4.294 -0.223 25667 300 1 2 . 1 1 331 331 GLN CA C 331 56.131 56.131 56.202 -0.071 25667 301 1 2 . 1 1 331 331 GLN CB C 331 29.094 29.094 30.032 -0.938 25667 302 1 2 . 1 1 331 331 GLN H H 331 8.310 8.310 7.803 0.507 25667 303 1 2 . 1 1 332 332 SER N N 332 115.944 115.944 119.303 -3.359 25667 304 1 2 . 1 1 332 332 SER HA H 332 4.421 4.421 4.565 -0.144 25667 305 1 2 . 1 1 332 332 SER H H 332 8.245 8.245 8.172 0.073 25667 306 1 2 . 1 1 333 333 SER N N 333 117.327 117.327 121.246 -3.919 25667 307 1 2 . 1 1 333 333 SER C C 333 174.661 174.661 174.274 0.387 25667 308 1 2 . 1 1 333 333 SER H H 333 8.143 8.143 8.311 -0.168 25667 309 1 2 . 1 1 334 334 TRP N N 334 123.002 123.002 124.967 -1.965 25667 310 1 2 . 1 1 334 334 TRP HA H 334 4.646 4.646 5.055 -0.409 25667 311 1 2 . 1 1 334 334 TRP C C 334 176.928 176.928 174.541 2.387 25667 312 1 2 . 1 1 334 334 TRP CA C 334 56.099 56.099 55.667 0.432 25667 313 1 2 . 1 1 334 334 TRP CB C 334 31.916 31.916 30.732 1.184 25667 314 1 2 . 1 1 334 334 TRP H H 334 8.092 8.092 8.219 -0.127 25667 315 1 2 . 1 1 335 335 ASP N N 335 119.016 119.016 121.642 -2.626 25667 316 1 2 . 1 1 335 335 ASP HA H 335 4.416 4.416 4.584 -0.168 25667 317 1 2 . 1 1 335 335 ASP C C 335 176.300 176.300 175.763 0.537 25667 318 1 2 . 1 1 335 335 ASP CA C 335 54.354 54.354 55.508 -1.154 25667 319 1 2 . 1 1 335 335 ASP CB C 335 40.572 40.572 42.550 -1.978 25667 320 1 2 . 1 1 335 335 ASP H H 335 8.205 8.205 8.779 -0.574 25667 321 1 2 . 1 1 336 336 MET N N 336 120.419 120.419 118.978 1.441 25667 322 1 2 . 1 1 336 336 MET HA H 336 3.988 3.988 4.796 -0.808 25667 323 1 2 . 1 1 336 336 MET C C 336 175.707 175.707 176.025 -0.318 25667 324 1 2 . 1 1 336 336 MET CA C 336 55.159 55.159 56.315 -1.156 25667 325 1 2 . 1 1 336 336 MET CB C 336 31.874 31.874 33.836 -1.962 25667 326 1 2 . 1 1 336 336 MET H H 336 8.063 8.063 7.674 0.389 25667 327 1 2 . 1 1 337 337 MET N N 337 119.862 119.862 118.515 1.347 25667 328 1 2 . 1 1 337 337 MET HA H 337 4.678 4.678 4.676 0.002 25667 329 1 2 . 1 1 337 337 MET C C 337 177.451 177.451 177.380 0.071 25667 330 1 2 . 1 1 337 337 MET CA C 337 56.106 56.106 55.389 0.717 25667 331 1 2 . 1 1 337 337 MET CB C 337 32.013 32.013 32.867 -0.854 25667 332 1 2 . 1 1 337 337 MET H H 337 8.346 8.346 8.468 -0.122 25667 333 1 2 . 1 1 338 338 GLY N N 338 109.026 109.026 107.261 1.765 25667 334 1 2 . 1 1 338 338 GLY C C 338 174.731 174.731 176.016 -1.285 25667 335 1 2 . 1 1 338 338 GLY CA C 338 45.575 45.575 46.730 -1.155 25667 336 1 2 . 1 1 338 338 GLY H H 338 8.254 8.254 8.730 -0.476 25667 337 1 2 . 1 1 339 339 MET N N 339 120.118 120.118 120.539 -0.421 25667 338 1 2 . 1 1 339 339 MET HA H 339 4.410 4.410 4.193 0.217 25667 339 1 2 . 1 1 339 339 MET C C 339 176.753 176.753 177.046 -0.293 25667 340 1 2 . 1 1 339 339 MET CA C 339 56.247 56.247 58.899 -2.652 25667 341 1 2 . 1 1 339 339 MET CB C 339 31.844 31.844 32.323 -0.479 25667 342 1 2 . 1 1 339 339 MET H H 339 8.068 8.068 7.657 0.411 25667 343 1 2 . 1 1 340 340 LEU N N 340 122.097 122.097 118.154 3.943 25667 344 1 2 . 1 1 340 340 LEU HA H 340 4.323 4.323 4.171 0.152 25667 345 1 2 . 1 1 340 340 LEU CA C 340 55.336 55.336 57.141 -1.805 25667 346 1 2 . 1 1 340 340 LEU CB C 340 41.950 41.950 39.999 1.951 25667 347 1 2 . 1 1 340 340 LEU H H 340 8.177 8.177 8.101 0.076 25667 348 1 2 . 1 1 341 341 ALA N N 341 123.844 123.844 118.388 5.456 25667 349 1 2 . 1 1 341 341 ALA HA H 341 4.334 4.334 4.286 0.048 25667 350 1 2 . 1 1 341 341 ALA C C 341 178.324 178.324 177.671 0.653 25667 351 1 2 . 1 1 341 341 ALA CA C 341 53.129 53.129 53.484 -0.355 25667 352 1 2 . 1 1 341 341 ALA CB C 341 18.659 18.659 19.381 -0.722 25667 353 1 2 . 1 1 341 341 ALA H H 341 8.180 8.180 7.604 0.576 25667 354 1 2 . 1 1 342 342 SER N N 342 113.799 113.799 113.277 0.522 25667 355 1 2 . 1 1 342 342 SER HA H 342 4.395 4.395 4.539 -0.144 25667 356 1 2 . 1 1 342 342 SER C C 342 174.975 174.975 175.671 -0.696 25667 357 1 2 . 1 1 342 342 SER CA C 342 58.511 58.511 59.921 -1.410 25667 358 1 2 . 1 1 342 342 SER CB C 342 63.372 63.372 64.815 -1.443 25667 359 1 2 . 1 1 342 342 SER H H 342 8.096 8.096 7.799 0.297 25667 360 1 2 . 1 1 343 343 GLN N N 343 121.045 121.045 118.278 2.767 25667 361 1 2 . 1 1 343 343 GLN HA H 343 4.515 4.515 4.437 0.078 25667 362 1 2 . 1 1 343 343 GLN C C 343 176.230 176.230 177.284 -1.054 25667 363 1 2 . 1 1 343 343 GLN CA C 343 55.882 55.882 56.982 -1.100 25667 364 1 2 . 1 1 343 343 GLN CB C 343 29.175 29.175 28.903 0.272 25667 365 1 2 . 1 1 343 343 GLN H H 343 8.219 8.219 8.269 -0.050 25667 366 1 2 . 1 1 344 344 GLN N N 344 120.302 120.302 120.354 -0.052 25667 367 1 2 . 1 1 344 344 GLN HA H 344 4.398 4.398 4.164 0.234 25667 368 1 2 . 1 1 344 344 GLN CA C 344 55.771 55.771 57.070 -1.299 25667 369 1 2 . 1 1 344 344 GLN CB C 344 29.284 29.284 29.132 0.152 25667 370 1 2 . 1 1 344 344 GLN H H 344 8.238 8.238 8.634 -0.396 25667 371 1 2 . 1 1 345 345 ASN N N 345 119.326 119.326 113.657 5.669 25667 372 1 2 . 1 1 345 345 ASN HA H 345 4.694 4.694 4.896 -0.202 25667 373 1 2 . 1 1 345 345 ASN C C 345 175.289 175.289 174.149 1.140 25667 374 1 2 . 1 1 345 345 ASN CA C 345 53.413 53.413 51.704 1.709 25667 375 1 2 . 1 1 345 345 ASN CB C 345 38.461 38.461 40.252 -1.791 25667 376 1 2 . 1 1 345 345 ASN H H 345 8.408 8.408 7.474 0.934 25667 377 1 2 . 1 1 346 346 GLN N N 346 120.640 120.640 117.693 2.947 25667 378 1 2 . 1 1 346 346 GLN HA H 346 4.057 4.057 4.468 -0.411 25667 379 1 2 . 1 1 346 346 GLN C C 346 176.009 176.009 176.049 -0.040 25667 380 1 2 . 1 1 346 346 GLN CA C 346 55.671 55.671 56.639 -0.968 25667 381 1 2 . 1 1 346 346 GLN CB C 346 29.049 29.049 30.193 -1.144 25667 382 1 2 . 1 1 346 346 GLN H H 346 8.366 8.366 8.826 -0.460 25667 383 1 2 . 1 1 347 347 SER N N 347 116.808 116.808 114.781 2.027 25667 384 1 2 . 1 1 347 347 SER HA H 347 4.506 4.506 4.725 -0.219 25667 385 1 2 . 1 1 347 347 SER C C 347 174.595 174.595 173.313 1.282 25667 386 1 2 . 1 1 347 347 SER CA C 347 58.548 58.548 58.129 0.419 25667 387 1 2 . 1 1 347 347 SER CB C 347 64.048 64.048 63.769 0.279 25667 388 1 2 . 1 1 347 347 SER H H 347 8.364 8.364 7.896 0.468 25667 389 1 2 . 1 1 348 348 GLY N N 348 110.627 110.627 111.005 -0.378 25667 390 1 2 . 1 1 348 348 GLY H H 348 8.221 8.221 7.886 0.335 25667 391 1 2 . 1 1 349 349 PRO C C 349 177.497 177.497 176.260 1.237 25667 392 1 2 . 1 1 349 349 PRO CA C 349 63.262 63.262 63.949 -0.687 25667 393 1 2 . 1 1 349 349 PRO CB C 349 31.949 31.949 32.079 -0.130 25667 394 1 2 . 1 1 350 350 SER N N 350 115.992 115.992 114.688 1.304 25667 395 1 2 . 1 1 350 350 SER C C 350 175.193 175.193 174.331 0.862 25667 396 1 2 . 1 1 350 350 SER CA C 350 58.568 58.568 58.587 -0.019 25667 397 1 2 . 1 1 350 350 SER CB C 350 63.900 63.900 64.617 -0.717 25667 398 1 2 . 1 1 350 350 SER H H 350 8.474 8.474 7.965 0.509 25667 399 1 2 . 1 1 351 351 GLY N N 351 110.440 110.440 111.756 -1.316 25667 400 1 2 . 1 1 351 351 GLY H H 351 8.352 8.352 8.463 -0.112 25667 401 1 2 . 1 1 353 353 ASN CA C 353 53.555 53.555 52.359 1.196 25667 402 1 2 . 1 1 353 353 ASN CB C 353 38.461 38.461 39.895 -1.433 25667 403 1 2 . 1 1 354 354 GLN N N 354 120.218 120.218 120.733 -0.515 25667 404 1 2 . 1 1 354 354 GLN HA H 354 4.307 4.307 4.504 -0.197 25667 405 1 2 . 1 1 354 354 GLN C C 354 175.916 175.916 175.535 0.381 25667 406 1 2 . 1 1 354 354 GLN CA C 354 55.948 55.948 55.738 0.210 25667 407 1 2 . 1 1 354 354 GLN CB C 354 29.163 29.163 30.148 -0.985 25667 408 1 2 . 1 1 354 354 GLN H H 354 8.388 8.388 8.516 -0.128 25667 409 1 2 . 1 1 355 355 ASN N N 355 119.285 119.285 120.818 -1.533 25667 410 1 2 . 1 1 355 355 ASN HA H 355 4.697 4.697 4.682 0.015 25667 411 1 2 . 1 1 355 355 ASN C C 355 175.114 175.114 175.208 -0.094 25667 412 1 2 . 1 1 355 355 ASN CA C 355 53.239 53.239 53.113 0.126 25667 413 1 2 . 1 1 355 355 ASN CB C 355 38.581 38.581 38.957 -0.376 25667 414 1 2 . 1 1 355 355 ASN H H 355 8.457 8.457 8.675 -0.218 25667 415 1 2 . 1 1 356 356 GLN N N 356 119.185 119.185 120.280 -1.095 25667 416 1 2 . 1 1 356 356 GLN HA H 356 4.776 4.776 4.485 0.291 25667 417 1 2 . 1 1 356 356 GLN C C 356 176.405 176.405 175.002 1.403 25667 418 1 2 . 1 1 356 356 GLN CA C 356 55.865 55.865 55.369 0.496 25667 419 1 2 . 1 1 356 356 GLN CB C 356 29.239 29.239 28.131 1.108 25667 420 1 2 . 1 1 356 356 GLN H H 356 8.469 8.469 8.019 0.450 25667 421 1 2 . 1 1 357 357 GLY N N 357 109.452 109.452 112.048 -2.596 25667 422 1 2 . 1 1 357 357 GLY C C 357 173.923 173.923 173.042 0.881 25667 423 1 2 . 1 1 357 357 GLY CA C 357 45.488 45.488 45.032 0.455 25667 424 1 2 . 1 1 357 357 GLY H H 357 8.424 8.424 7.755 0.669 25667 425 1 2 . 1 1 358 358 ASN N N 358 118.477 118.477 120.801 -2.324 25667 426 1 2 . 1 1 358 358 ASN HA H 358 4.736 4.736 4.686 0.050 25667 427 1 2 . 1 1 358 358 ASN C C 358 175.184 175.184 175.338 -0.154 25667 428 1 2 . 1 1 358 358 ASN CA C 358 53.406 53.406 52.856 0.550 25667 429 1 2 . 1 1 358 358 ASN CB C 358 38.470 38.470 37.598 0.872 25667 430 1 2 . 1 1 358 358 ASN H H 358 8.295 8.295 8.725 -0.430 25667 431 1 2 . 1 1 359 359 MET N N 359 120.987 120.987 118.187 2.800 25667 432 1 2 . 1 1 359 359 MET HA H 359 4.482 4.482 4.539 -0.057 25667 433 1 2 . 1 1 359 359 MET C C 359 175.289 175.289 175.787 -0.498 25667 434 1 2 . 1 1 359 359 MET CA C 359 55.358 55.358 55.304 0.054 25667 435 1 2 . 1 1 359 359 MET CB C 359 33.212 33.212 32.278 0.934 25667 436 1 2 . 1 1 359 359 MET H H 359 8.349 8.349 8.488 -0.139 25667 437 1 3 . 1 1 313 313 PHE C C 313 175.149 175.149 176.359 -1.210 25667 438 1 3 . 1 1 314 314 GLY N N 314 110.148 110.148 107.153 2.995 25667 439 1 3 . 1 1 314 314 GLY C C 314 173.918 173.918 173.330 0.588 25667 440 1 3 . 1 1 314 314 GLY CA C 314 45.059 45.059 45.151 -0.092 25667 441 1 3 . 1 1 314 314 GLY H H 314 8.338 8.338 7.360 0.978 25667 442 1 3 . 1 1 315 315 ALA N N 315 123.626 123.626 120.473 3.153 25667 443 1 3 . 1 1 315 315 ALA HA H 315 4.251 4.251 4.045 0.206 25667 444 1 3 . 1 1 315 315 ALA H H 315 8.032 8.032 8.188 -0.156 25667 445 1 3 . 1 1 316 316 PHE N N 316 117.829 117.829 115.377 2.452 25667 446 1 3 . 1 1 316 316 PHE HA H 316 4.463 4.463 4.179 0.284 25667 447 1 3 . 1 1 316 316 PHE C C 316 175.568 175.568 174.920 0.648 25667 448 1 3 . 1 1 316 316 PHE H H 316 8.286 8.286 7.465 0.821 25667 449 1 3 . 1 1 317 317 SER N N 317 116.896 116.896 117.406 -0.510 25667 450 1 3 . 1 1 317 317 SER HA H 317 4.441 4.441 4.665 -0.224 25667 451 1 3 . 1 1 317 317 SER C C 317 174.661 174.661 173.567 1.094 25667 452 1 3 . 1 1 317 317 SER CB C 317 63.893 63.893 63.087 0.806 25667 453 1 3 . 1 1 317 317 SER H H 317 8.056 8.056 8.518 -0.462 25667 454 1 3 . 1 1 318 318 ILE N N 318 121.668 121.668 122.368 -0.700 25667 455 1 3 . 1 1 318 318 ILE HA H 318 4.262 4.262 4.305 -0.043 25667 456 1 3 . 1 1 318 318 ILE C C 318 175.540 175.540 175.126 0.414 25667 457 1 3 . 1 1 318 318 ILE CA C 318 61.601 61.601 61.022 0.579 25667 458 1 3 . 1 1 318 318 ILE CB C 318 39.035 39.035 38.498 0.537 25667 459 1 3 . 1 1 318 318 ILE H H 318 8.047 8.047 7.975 0.072 25667 460 1 3 . 1 1 319 319 ASN N N 319 123.549 123.549 127.439 -3.890 25667 461 1 3 . 1 1 319 319 ASN HA H 319 4.741 4.741 5.176 -0.435 25667 462 1 3 . 1 1 319 319 ASN H H 319 8.419 8.419 8.516 -0.097 25667 463 1 3 . 1 1 320 320 PRO C C 320 174.975 174.975 176.913 -1.938 25667 464 1 3 . 1 1 321 321 ALA N N 321 121.415 121.415 127.019 -5.604 25667 465 1 3 . 1 1 321 321 ALA HA H 321 4.182 4.182 4.095 0.087 25667 466 1 3 . 1 1 321 321 ALA CA C 321 53.258 53.258 54.736 -1.478 25667 467 1 3 . 1 1 321 321 ALA CB C 321 18.398 18.398 18.853 -0.455 25667 468 1 3 . 1 1 321 321 ALA H H 321 8.170 8.170 8.695 -0.525 25667 469 1 3 . 1 1 322 322 MET N N 322 118.223 118.223 117.992 0.231 25667 470 1 3 . 1 1 322 322 MET HA H 322 4.414 4.414 4.129 0.285 25667 471 1 3 . 1 1 322 322 MET C C 322 176.718 176.718 178.045 -1.327 25667 472 1 3 . 1 1 322 322 MET CA C 322 56.000 56.000 58.527 -2.527 25667 473 1 3 . 1 1 322 322 MET CB C 322 32.106 32.106 32.463 -0.357 25667 474 1 3 . 1 1 322 322 MET H H 322 8.001 8.001 8.338 -0.337 25667 475 1 3 . 1 1 323 323 MET N N 323 120.466 120.466 116.845 3.621 25667 476 1 3 . 1 1 323 323 MET HA H 323 4.339 4.339 4.236 0.103 25667 477 1 3 . 1 1 323 323 MET C C 323 177.799 177.799 178.526 -0.727 25667 478 1 3 . 1 1 323 323 MET CA C 323 56.191 56.191 57.631 -1.440 25667 479 1 3 . 1 1 323 323 MET CB C 323 31.874 31.874 31.501 0.373 25667 480 1 3 . 1 1 323 323 MET H H 323 8.011 8.011 7.630 0.381 25667 481 1 3 . 1 1 324 324 ALA N N 324 123.816 123.816 121.399 2.417 25667 482 1 3 . 1 1 324 324 ALA HA H 324 4.257 4.257 4.144 0.113 25667 483 1 3 . 1 1 324 324 ALA H H 324 8.183 8.183 7.661 0.522 25667 484 1 3 . 1 1 325 325 ALA C C 325 174.696 174.696 179.384 -4.688 25667 485 1 3 . 1 1 325 325 ALA CA C 325 53.257 53.257 54.649 -1.392 25667 486 1 3 . 1 1 325 325 ALA CB C 325 18.466 18.466 18.345 0.121 25667 487 1 3 . 1 1 326 326 ALA N N 326 122.221 122.221 119.858 2.363 25667 488 1 3 . 1 1 326 326 ALA HA H 326 4.331 4.331 4.100 0.231 25667 489 1 3 . 1 1 326 326 ALA C C 326 177.381 177.381 179.196 -1.815 25667 490 1 3 . 1 1 326 326 ALA CA C 326 52.677 52.677 54.789 -2.112 25667 491 1 3 . 1 1 326 326 ALA CB C 326 18.722 18.722 18.530 0.192 25667 492 1 3 . 1 1 326 326 ALA H H 326 8.078 8.078 7.647 0.431 25667 493 1 3 . 1 1 327 327 GLN N N 327 118.366 118.366 116.614 1.752 25667 494 1 3 . 1 1 327 327 GLN HA H 327 4.183 4.183 4.272 -0.089 25667 495 1 3 . 1 1 327 327 GLN C C 327 172.918 172.918 177.974 -5.056 25667 496 1 3 . 1 1 327 327 GLN CA C 327 56.701 56.701 57.677 -0.976 25667 497 1 3 . 1 1 327 327 GLN CB C 327 28.906 28.906 28.878 0.028 25667 498 1 3 . 1 1 327 327 GLN H H 327 8.099 8.099 7.606 0.493 25667 499 1 3 . 1 1 328 328 ALA N N 328 123.574 123.574 121.457 2.117 25667 500 1 3 . 1 1 328 328 ALA HA H 328 4.338 4.338 4.242 0.096 25667 501 1 3 . 1 1 328 328 ALA C C 328 176.126 176.126 177.554 -1.428 25667 502 1 3 . 1 1 328 328 ALA CA C 328 53.212 53.212 53.357 -0.145 25667 503 1 3 . 1 1 328 328 ALA CB C 328 18.520 18.520 18.491 0.029 25667 504 1 3 . 1 1 328 328 ALA H H 328 8.107 8.107 8.155 -0.048 25667 505 1 3 . 1 1 329 329 ALA N N 329 121.502 121.502 119.893 1.609 25667 506 1 3 . 1 1 329 329 ALA HA H 329 4.199 4.199 4.142 0.057 25667 507 1 3 . 1 1 329 329 ALA CA C 329 52.809 52.809 54.141 -1.332 25667 508 1 3 . 1 1 329 329 ALA CB C 329 18.545 18.545 18.601 -0.056 25667 509 1 3 . 1 1 329 329 ALA H H 329 7.985 7.985 7.538 0.447 25667 510 1 3 . 1 1 330 330 LEU N N 330 120.175 120.175 116.864 3.311 25667 511 1 3 . 1 1 330 330 LEU HA H 330 4.258 4.258 4.175 0.083 25667 512 1 3 . 1 1 330 330 LEU C C 330 178.078 178.078 177.914 0.164 25667 513 1 3 . 1 1 330 330 LEU CA C 330 56.445 56.445 56.292 0.153 25667 514 1 3 . 1 1 330 330 LEU CB C 330 41.810 41.810 42.409 -0.599 25667 515 1 3 . 1 1 330 330 LEU H H 330 7.900 7.900 7.372 0.528 25667 516 1 3 . 1 1 331 331 GLN N N 331 120.194 120.194 116.547 3.647 25667 517 1 3 . 1 1 331 331 GLN HA H 331 4.071 4.071 4.375 -0.304 25667 518 1 3 . 1 1 331 331 GLN CA C 331 56.131 56.131 54.684 1.447 25667 519 1 3 . 1 1 331 331 GLN CB C 331 29.094 29.094 28.827 0.267 25667 520 1 3 . 1 1 331 331 GLN H H 331 8.310 8.310 7.343 0.967 25667 521 1 3 . 1 1 332 332 SER N N 332 115.944 115.944 116.654 -0.710 25667 522 1 3 . 1 1 332 332 SER HA H 332 4.421 4.421 3.938 0.482 25667 523 1 3 . 1 1 332 332 SER H H 332 8.245 8.245 8.249 -0.004 25667 524 1 3 . 1 1 333 333 SER N N 333 117.327 117.327 118.240 -0.913 25667 525 1 3 . 1 1 333 333 SER C C 333 174.661 174.661 173.033 1.628 25667 526 1 3 . 1 1 333 333 SER H H 333 8.143 8.143 7.668 0.475 25667 527 1 3 . 1 1 334 334 TRP N N 334 123.002 123.002 125.102 -2.100 25667 528 1 3 . 1 1 334 334 TRP HA H 334 4.646 4.646 4.781 -0.135 25667 529 1 3 . 1 1 334 334 TRP C C 334 176.928 176.928 175.725 1.203 25667 530 1 3 . 1 1 334 334 TRP CA C 334 56.099 56.099 57.150 -1.051 25667 531 1 3 . 1 1 334 334 TRP CB C 334 31.916 31.916 30.654 1.262 25667 532 1 3 . 1 1 334 334 TRP H H 334 8.092 8.092 8.377 -0.285 25667 533 1 3 . 1 1 335 335 ASP N N 335 119.016 119.016 120.345 -1.329 25667 534 1 3 . 1 1 335 335 ASP HA H 335 4.416 4.416 4.701 -0.285 25667 535 1 3 . 1 1 335 335 ASP C C 335 176.300 176.300 176.594 -0.294 25667 536 1 3 . 1 1 335 335 ASP CA C 335 54.354 54.354 55.133 -0.779 25667 537 1 3 . 1 1 335 335 ASP CB C 335 40.572 40.572 41.894 -1.321 25667 538 1 3 . 1 1 335 335 ASP H H 335 8.205 8.205 8.845 -0.640 25667 539 1 3 . 1 1 336 336 MET N N 336 120.419 120.419 119.097 1.322 25667 540 1 3 . 1 1 336 336 MET HA H 336 3.988 3.988 4.613 -0.625 25667 541 1 3 . 1 1 336 336 MET C C 336 175.707 175.707 176.444 -0.737 25667 542 1 3 . 1 1 336 336 MET CA C 336 55.159 55.159 56.602 -1.443 25667 543 1 3 . 1 1 336 336 MET CB C 336 31.874 31.874 33.567 -1.693 25667 544 1 3 . 1 1 336 336 MET H H 336 8.063 8.063 8.258 -0.195 25667 545 1 3 . 1 1 337 337 MET N N 337 119.862 119.862 118.672 1.190 25667 546 1 3 . 1 1 337 337 MET HA H 337 4.678 4.678 4.528 0.150 25667 547 1 3 . 1 1 337 337 MET C C 337 177.451 177.451 177.249 0.202 25667 548 1 3 . 1 1 337 337 MET CA C 337 56.106 56.106 56.155 -0.049 25667 549 1 3 . 1 1 337 337 MET CB C 337 32.013 32.013 32.335 -0.322 25667 550 1 3 . 1 1 337 337 MET H H 337 8.346 8.346 8.229 0.117 25667 551 1 3 . 1 1 338 338 GLY N N 338 109.026 109.026 108.738 0.288 25667 552 1 3 . 1 1 338 338 GLY C C 338 174.731 174.731 174.771 -0.040 25667 553 1 3 . 1 1 338 338 GLY CA C 338 45.575 45.575 45.230 0.345 25667 554 1 3 . 1 1 338 338 GLY H H 338 8.254 8.254 8.795 -0.541 25667 555 1 3 . 1 1 339 339 MET N N 339 120.118 120.118 120.425 -0.307 25667 556 1 3 . 1 1 339 339 MET HA H 339 4.410 4.410 4.393 0.017 25667 557 1 3 . 1 1 339 339 MET C C 339 176.753 176.753 177.454 -0.701 25667 558 1 3 . 1 1 339 339 MET CA C 339 56.247 56.247 55.088 1.159 25667 559 1 3 . 1 1 339 339 MET CB C 339 31.844 31.844 31.850 -0.006 25667 560 1 3 . 1 1 339 339 MET H H 339 8.068 8.068 7.922 0.146 25667 561 1 3 . 1 1 340 340 LEU N N 340 122.097 122.097 119.947 2.150 25667 562 1 3 . 1 1 340 340 LEU HA H 340 4.323 4.323 4.234 0.089 25667 563 1 3 . 1 1 340 340 LEU CA C 340 55.336 55.336 57.940 -2.604 25667 564 1 3 . 1 1 340 340 LEU CB C 340 41.950 41.950 40.493 1.457 25667 565 1 3 . 1 1 340 340 LEU H H 340 8.177 8.177 8.025 0.152 25667 566 1 3 . 1 1 341 341 ALA N N 341 123.844 123.844 120.224 3.620 25667 567 1 3 . 1 1 341 341 ALA HA H 341 4.334 4.334 4.552 -0.218 25667 568 1 3 . 1 1 341 341 ALA C C 341 178.324 178.324 179.315 -0.991 25667 569 1 3 . 1 1 341 341 ALA CA C 341 53.129 53.129 54.249 -1.120 25667 570 1 3 . 1 1 341 341 ALA CB C 341 18.659 18.659 18.558 0.101 25667 571 1 3 . 1 1 341 341 ALA H H 341 8.180 8.180 7.730 0.450 25667 572 1 3 . 1 1 342 342 SER N N 342 113.799 113.799 112.170 1.629 25667 573 1 3 . 1 1 342 342 SER HA H 342 4.395 4.395 4.572 -0.177 25667 574 1 3 . 1 1 342 342 SER C C 342 174.975 174.975 174.640 0.335 25667 575 1 3 . 1 1 342 342 SER CA C 342 58.511 58.511 59.355 -0.844 25667 576 1 3 . 1 1 342 342 SER CB C 342 63.372 63.372 63.652 -0.280 25667 577 1 3 . 1 1 342 342 SER H H 342 8.096 8.096 8.020 0.076 25667 578 1 3 . 1 1 343 343 GLN N N 343 121.045 121.045 120.983 0.062 25667 579 1 3 . 1 1 343 343 GLN HA H 343 4.515 4.515 4.320 0.195 25667 580 1 3 . 1 1 343 343 GLN C C 343 176.230 176.230 177.932 -1.702 25667 581 1 3 . 1 1 343 343 GLN CA C 343 55.882 55.882 57.444 -1.562 25667 582 1 3 . 1 1 343 343 GLN CB C 343 29.175 29.175 28.934 0.241 25667 583 1 3 . 1 1 343 343 GLN H H 343 8.219 8.219 7.366 0.853 25667 584 1 3 . 1 1 344 344 GLN N N 344 120.302 120.302 118.048 2.254 25667 585 1 3 . 1 1 344 344 GLN HA H 344 4.398 4.398 4.134 0.264 25667 586 1 3 . 1 1 344 344 GLN CA C 344 55.771 55.771 57.568 -1.797 25667 587 1 3 . 1 1 344 344 GLN CB C 344 29.284 29.284 29.387 -0.103 25667 588 1 3 . 1 1 344 344 GLN H H 344 8.238 8.238 7.826 0.412 25667 589 1 3 . 1 1 345 345 ASN N N 345 119.326 119.326 117.546 1.780 25667 590 1 3 . 1 1 345 345 ASN HA H 345 4.694 4.694 4.841 -0.147 25667 591 1 3 . 1 1 345 345 ASN C C 345 175.289 175.289 173.471 1.818 25667 592 1 3 . 1 1 345 345 ASN CA C 345 53.413 53.413 53.138 0.275 25667 593 1 3 . 1 1 345 345 ASN CB C 345 38.461 38.461 40.008 -1.547 25667 594 1 3 . 1 1 345 345 ASN H H 345 8.408 8.408 7.875 0.533 25667 595 1 3 . 1 1 346 346 GLN N N 346 120.640 120.640 127.062 -6.422 25667 596 1 3 . 1 1 346 346 GLN HA H 346 4.057 4.057 4.656 -0.599 25667 597 1 3 . 1 1 346 346 GLN C C 346 176.009 176.009 176.694 -0.685 25667 598 1 3 . 1 1 346 346 GLN CA C 346 55.671 55.671 56.236 -0.565 25667 599 1 3 . 1 1 346 346 GLN CB C 346 29.049 29.049 28.254 0.795 25667 600 1 3 . 1 1 346 346 GLN H H 346 8.366 8.366 8.661 -0.295 25667 601 1 3 . 1 1 347 347 SER N N 347 116.808 116.808 122.188 -5.380 25667 602 1 3 . 1 1 347 347 SER HA H 347 4.506 4.506 4.565 -0.059 25667 603 1 3 . 1 1 347 347 SER C C 347 174.595 174.595 174.490 0.105 25667 604 1 3 . 1 1 347 347 SER CA C 347 58.548 58.548 57.869 0.679 25667 605 1 3 . 1 1 347 347 SER CB C 347 64.048 64.048 62.383 1.665 25667 606 1 3 . 1 1 347 347 SER H H 347 8.364 8.364 8.179 0.185 25667 607 1 3 . 1 1 348 348 GLY N N 348 110.627 110.627 110.815 -0.188 25667 608 1 3 . 1 1 348 348 GLY H H 348 8.221 8.221 7.717 0.504 25667 609 1 3 . 1 1 349 349 PRO C C 349 177.497 177.497 176.248 1.249 25667 610 1 3 . 1 1 349 349 PRO CA C 349 63.262 63.262 63.540 -0.278 25667 611 1 3 . 1 1 349 349 PRO CB C 349 31.949 31.949 32.112 -0.163 25667 612 1 3 . 1 1 350 350 SER N N 350 115.992 115.992 115.278 0.714 25667 613 1 3 . 1 1 350 350 SER C C 350 175.193 175.193 173.916 1.277 25667 614 1 3 . 1 1 350 350 SER CA C 350 58.568 58.568 57.829 0.739 25667 615 1 3 . 1 1 350 350 SER CB C 350 63.900 63.900 64.762 -0.862 25667 616 1 3 . 1 1 350 350 SER H H 350 8.474 8.474 7.862 0.612 25667 617 1 3 . 1 1 351 351 GLY N N 351 110.440 110.440 110.336 0.104 25667 618 1 3 . 1 1 351 351 GLY H H 351 8.352 8.352 8.381 -0.029 25667 619 1 3 . 1 1 353 353 ASN CA C 353 53.555 53.555 54.469 -0.914 25667 620 1 3 . 1 1 353 353 ASN CB C 353 38.461 38.461 38.974 -0.513 25667 621 1 3 . 1 1 354 354 GLN N N 354 120.218 120.218 117.523 2.695 25667 622 1 3 . 1 1 354 354 GLN HA H 354 4.307 4.307 4.461 -0.154 25667 623 1 3 . 1 1 354 354 GLN C C 354 175.916 175.916 174.004 1.912 25667 624 1 3 . 1 1 354 354 GLN CA C 354 55.948 55.948 55.471 0.478 25667 625 1 3 . 1 1 354 354 GLN CB C 354 29.163 29.163 30.517 -1.354 25667 626 1 3 . 1 1 354 354 GLN H H 354 8.388 8.388 7.648 0.740 25667 627 1 3 . 1 1 355 355 ASN N N 355 119.285 119.285 122.380 -3.095 25667 628 1 3 . 1 1 355 355 ASN HA H 355 4.697 4.697 4.708 -0.011 25667 629 1 3 . 1 1 355 355 ASN C C 355 175.114 175.114 175.057 0.057 25667 630 1 3 . 1 1 355 355 ASN CA C 355 53.239 53.239 52.987 0.252 25667 631 1 3 . 1 1 355 355 ASN CB C 355 38.581 38.581 38.302 0.279 25667 632 1 3 . 1 1 355 355 ASN H H 355 8.457 8.457 8.574 -0.117 25667 633 1 3 . 1 1 356 356 GLN N N 356 119.185 119.185 121.071 -1.886 25667 634 1 3 . 1 1 356 356 GLN HA H 356 4.776 4.776 4.101 0.675 25667 635 1 3 . 1 1 356 356 GLN C C 356 176.405 176.405 174.800 1.605 25667 636 1 3 . 1 1 356 356 GLN CA C 356 55.865 55.865 56.308 -0.443 25667 637 1 3 . 1 1 356 356 GLN CB C 356 29.239 29.239 28.161 1.078 25667 638 1 3 . 1 1 356 356 GLN H H 356 8.469 8.469 8.571 -0.102 25667 639 1 3 . 1 1 357 357 GLY N N 357 109.452 109.452 110.803 -1.351 25667 640 1 3 . 1 1 357 357 GLY C C 357 173.923 173.923 173.246 0.677 25667 641 1 3 . 1 1 357 357 GLY CA C 357 45.488 45.488 45.013 0.475 25667 642 1 3 . 1 1 357 357 GLY H H 357 8.424 8.424 8.433 -0.009 25667 643 1 3 . 1 1 358 358 ASN N N 358 118.477 118.477 118.315 0.162 25667 644 1 3 . 1 1 358 358 ASN HA H 358 4.736 4.736 4.899 -0.163 25667 645 1 3 . 1 1 358 358 ASN C C 358 175.184 175.184 173.942 1.242 25667 646 1 3 . 1 1 358 358 ASN CA C 358 53.406 53.406 52.513 0.893 25667 647 1 3 . 1 1 358 358 ASN CB C 358 38.470 38.470 41.182 -2.712 25667 648 1 3 . 1 1 358 358 ASN H H 358 8.295 8.295 8.455 -0.160 25667 649 1 3 . 1 1 359 359 MET N N 359 120.987 120.987 120.048 0.939 25667 650 1 3 . 1 1 359 359 MET HA H 359 4.482 4.482 4.790 -0.308 25667 651 1 3 . 1 1 359 359 MET C C 359 175.289 175.289 175.575 -0.286 25667 652 1 3 . 1 1 359 359 MET CA C 359 55.358 55.358 55.054 0.304 25667 653 1 3 . 1 1 359 359 MET CB C 359 33.212 33.212 33.537 -0.325 25667 654 1 3 . 1 1 359 359 MET H H 359 8.349 8.349 8.565 -0.216 25667 655 1 4 . 1 1 313 313 PHE C C 313 175.149 175.149 175.062 0.087 25667 656 1 4 . 1 1 314 314 GLY N N 314 110.148 110.148 106.315 3.833 25667 657 1 4 . 1 1 314 314 GLY C C 314 173.918 173.918 174.243 -0.325 25667 658 1 4 . 1 1 314 314 GLY CA C 314 45.059 45.059 44.196 0.863 25667 659 1 4 . 1 1 314 314 GLY H H 314 8.338 8.338 7.815 0.523 25667 660 1 4 . 1 1 315 315 ALA N N 315 123.626 123.626 120.813 2.813 25667 661 1 4 . 1 1 315 315 ALA HA H 315 4.251 4.251 4.018 0.233 25667 662 1 4 . 1 1 315 315 ALA H H 315 8.032 8.032 8.580 -0.548 25667 663 1 4 . 1 1 316 316 PHE N N 316 117.829 117.829 119.650 -1.821 25667 664 1 4 . 1 1 316 316 PHE HA H 316 4.463 4.463 4.568 -0.105 25667 665 1 4 . 1 1 316 316 PHE C C 316 175.568 175.568 175.025 0.543 25667 666 1 4 . 1 1 316 316 PHE H H 316 8.286 8.286 7.921 0.365 25667 667 1 4 . 1 1 317 317 SER N N 317 116.896 116.896 116.897 -0.001 25667 668 1 4 . 1 1 317 317 SER HA H 317 4.441 4.441 4.218 0.223 25667 669 1 4 . 1 1 317 317 SER C C 317 174.661 174.661 173.578 1.083 25667 670 1 4 . 1 1 317 317 SER CB C 317 63.893 63.893 62.696 1.197 25667 671 1 4 . 1 1 317 317 SER H H 317 8.056 8.056 8.592 -0.536 25667 672 1 4 . 1 1 318 318 ILE N N 318 121.668 121.668 121.496 0.172 25667 673 1 4 . 1 1 318 318 ILE HA H 318 4.262 4.262 4.229 0.033 25667 674 1 4 . 1 1 318 318 ILE C C 318 175.540 175.540 175.173 0.367 25667 675 1 4 . 1 1 318 318 ILE CA C 318 61.601 61.601 60.809 0.792 25667 676 1 4 . 1 1 318 318 ILE CB C 318 39.035 39.035 38.248 0.787 25667 677 1 4 . 1 1 318 318 ILE H H 318 8.047 8.047 8.264 -0.217 25667 678 1 4 . 1 1 319 319 ASN N N 319 123.549 123.549 128.247 -4.698 25667 679 1 4 . 1 1 319 319 ASN HA H 319 4.741 4.741 5.045 -0.304 25667 680 1 4 . 1 1 319 319 ASN H H 319 8.419 8.419 8.514 -0.095 25667 681 1 4 . 1 1 320 320 PRO C C 320 174.975 174.975 176.640 -1.665 25667 682 1 4 . 1 1 321 321 ALA N N 321 121.415 121.415 127.209 -5.794 25667 683 1 4 . 1 1 321 321 ALA HA H 321 4.182 4.182 4.209 -0.027 25667 684 1 4 . 1 1 321 321 ALA CA C 321 53.258 53.258 54.364 -1.105 25667 685 1 4 . 1 1 321 321 ALA CB C 321 18.398 18.398 18.786 -0.388 25667 686 1 4 . 1 1 321 321 ALA H H 321 8.170 8.170 8.610 -0.440 25667 687 1 4 . 1 1 322 322 MET N N 322 118.223 118.223 119.120 -0.897 25667 688 1 4 . 1 1 322 322 MET HA H 322 4.414 4.414 4.176 0.238 25667 689 1 4 . 1 1 322 322 MET C C 322 176.718 176.718 177.245 -0.527 25667 690 1 4 . 1 1 322 322 MET CA C 322 56.000 56.000 58.236 -2.236 25667 691 1 4 . 1 1 322 322 MET CB C 322 32.106 32.106 32.284 -0.178 25667 692 1 4 . 1 1 322 322 MET H H 322 8.001 8.001 8.265 -0.264 25667 693 1 4 . 1 1 323 323 MET N N 323 120.466 120.466 116.697 3.769 25667 694 1 4 . 1 1 323 323 MET HA H 323 4.339 4.339 4.242 0.097 25667 695 1 4 . 1 1 323 323 MET C C 323 177.799 177.799 177.588 0.211 25667 696 1 4 . 1 1 323 323 MET CA C 323 56.191 56.191 58.125 -1.934 25667 697 1 4 . 1 1 323 323 MET CB C 323 31.874 31.874 32.010 -0.136 25667 698 1 4 . 1 1 323 323 MET H H 323 8.011 8.011 7.618 0.393 25667 699 1 4 . 1 1 324 324 ALA N N 324 123.816 123.816 121.428 2.388 25667 700 1 4 . 1 1 324 324 ALA HA H 324 4.257 4.257 4.077 0.180 25667 701 1 4 . 1 1 324 324 ALA H H 324 8.183 8.183 7.867 0.316 25667 702 1 4 . 1 1 325 325 ALA C C 325 174.696 174.696 179.437 -4.741 25667 703 1 4 . 1 1 325 325 ALA CA C 325 53.257 53.257 54.634 -1.377 25667 704 1 4 . 1 1 325 325 ALA CB C 325 18.466 18.466 18.412 0.054 25667 705 1 4 . 1 1 326 326 ALA N N 326 122.221 122.221 119.766 2.455 25667 706 1 4 . 1 1 326 326 ALA HA H 326 4.331 4.331 4.106 0.225 25667 707 1 4 . 1 1 326 326 ALA C C 326 177.381 177.381 179.309 -1.928 25667 708 1 4 . 1 1 326 326 ALA CA C 326 52.677 52.677 54.246 -1.569 25667 709 1 4 . 1 1 326 326 ALA CB C 326 18.722 18.722 18.254 0.468 25667 710 1 4 . 1 1 326 326 ALA H H 326 8.078 8.078 7.583 0.495 25667 711 1 4 . 1 1 327 327 GLN N N 327 118.366 118.366 118.720 -0.354 25667 712 1 4 . 1 1 327 327 GLN HA H 327 4.183 4.183 4.169 0.014 25667 713 1 4 . 1 1 327 327 GLN C C 327 172.918 172.918 177.950 -5.032 25667 714 1 4 . 1 1 327 327 GLN CA C 327 56.701 56.701 58.244 -1.543 25667 715 1 4 . 1 1 327 327 GLN CB C 327 28.906 28.906 28.830 0.076 25667 716 1 4 . 1 1 327 327 GLN H H 327 8.099 8.099 7.756 0.343 25667 717 1 4 . 1 1 328 328 ALA N N 328 123.574 123.574 121.104 2.470 25667 718 1 4 . 1 1 328 328 ALA HA H 328 4.338 4.338 4.344 -0.006 25667 719 1 4 . 1 1 328 328 ALA C C 328 176.126 176.126 179.159 -3.033 25667 720 1 4 . 1 1 328 328 ALA CA C 328 53.212 53.212 53.902 -0.690 25667 721 1 4 . 1 1 328 328 ALA CB C 328 18.520 18.520 18.571 -0.051 25667 722 1 4 . 1 1 328 328 ALA H H 328 8.107 8.107 7.726 0.381 25667 723 1 4 . 1 1 329 329 ALA N N 329 121.502 121.502 121.697 -0.195 25667 724 1 4 . 1 1 329 329 ALA HA H 329 4.199 4.199 4.162 0.037 25667 725 1 4 . 1 1 329 329 ALA CA C 329 52.809 52.809 54.192 -1.383 25667 726 1 4 . 1 1 329 329 ALA CB C 329 18.545 18.545 18.426 0.119 25667 727 1 4 . 1 1 329 329 ALA H H 329 7.985 7.985 7.453 0.532 25667 728 1 4 . 1 1 330 330 LEU N N 330 120.175 120.175 117.161 3.014 25667 729 1 4 . 1 1 330 330 LEU HA H 330 4.258 4.258 4.110 0.148 25667 730 1 4 . 1 1 330 330 LEU C C 330 178.078 178.078 177.603 0.475 25667 731 1 4 . 1 1 330 330 LEU CA C 330 56.445 56.445 55.618 0.827 25667 732 1 4 . 1 1 330 330 LEU CB C 330 41.810 41.810 41.683 0.127 25667 733 1 4 . 1 1 330 330 LEU H H 330 7.900 7.900 7.479 0.421 25667 734 1 4 . 1 1 331 331 GLN N N 331 120.194 120.194 118.282 1.912 25667 735 1 4 . 1 1 331 331 GLN HA H 331 4.071 4.071 4.309 -0.237 25667 736 1 4 . 1 1 331 331 GLN CA C 331 56.131 56.131 55.936 0.195 25667 737 1 4 . 1 1 331 331 GLN CB C 331 29.094 29.094 29.353 -0.259 25667 738 1 4 . 1 1 331 331 GLN H H 331 8.310 8.310 7.357 0.953 25667 739 1 4 . 1 1 332 332 SER N N 332 115.944 115.944 116.490 -0.546 25667 740 1 4 . 1 1 332 332 SER HA H 332 4.421 4.421 4.374 0.047 25667 741 1 4 . 1 1 332 332 SER H H 332 8.245 8.245 8.655 -0.410 25667 742 1 4 . 1 1 333 333 SER N N 333 117.327 117.327 117.692 -0.365 25667 743 1 4 . 1 1 333 333 SER C C 333 174.661 174.661 173.762 0.899 25667 744 1 4 . 1 1 333 333 SER H H 333 8.143 8.143 7.951 0.192 25667 745 1 4 . 1 1 334 334 TRP N N 334 123.002 123.002 125.966 -2.964 25667 746 1 4 . 1 1 334 334 TRP HA H 334 4.646 4.646 4.944 -0.298 25667 747 1 4 . 1 1 334 334 TRP C C 334 176.928 176.928 174.654 2.274 25667 748 1 4 . 1 1 334 334 TRP CA C 334 56.099 56.099 56.217 -0.118 25667 749 1 4 . 1 1 334 334 TRP CB C 334 31.916 31.916 30.237 1.679 25667 750 1 4 . 1 1 334 334 TRP H H 334 8.092 8.092 8.335 -0.243 25667 751 1 4 . 1 1 335 335 ASP N N 335 119.016 119.016 122.380 -3.364 25667 752 1 4 . 1 1 335 335 ASP HA H 335 4.416 4.416 4.303 0.113 25667 753 1 4 . 1 1 335 335 ASP C C 335 176.300 176.300 175.737 0.563 25667 754 1 4 . 1 1 335 335 ASP CA C 335 54.354 54.354 54.964 -0.610 25667 755 1 4 . 1 1 335 335 ASP CB C 335 40.572 40.572 41.814 -1.242 25667 756 1 4 . 1 1 335 335 ASP H H 335 8.205 8.205 8.559 -0.354 25667 757 1 4 . 1 1 336 336 MET N N 336 120.419 120.419 117.645 2.774 25667 758 1 4 . 1 1 336 336 MET HA H 336 3.988 3.988 4.691 -0.703 25667 759 1 4 . 1 1 336 336 MET C C 336 175.707 175.707 175.516 0.191 25667 760 1 4 . 1 1 336 336 MET CA C 336 55.159 55.159 56.556 -1.397 25667 761 1 4 . 1 1 336 336 MET CB C 336 31.874 31.874 33.445 -1.571 25667 762 1 4 . 1 1 336 336 MET H H 336 8.063 8.063 7.957 0.106 25667 763 1 4 . 1 1 337 337 MET N N 337 119.862 119.862 119.044 0.818 25667 764 1 4 . 1 1 337 337 MET HA H 337 4.678 4.678 4.599 0.079 25667 765 1 4 . 1 1 337 337 MET C C 337 177.451 177.451 177.000 0.451 25667 766 1 4 . 1 1 337 337 MET CA C 337 56.106 56.106 55.621 0.485 25667 767 1 4 . 1 1 337 337 MET CB C 337 32.013 32.013 32.137 -0.124 25667 768 1 4 . 1 1 337 337 MET H H 337 8.346 8.346 8.374 -0.028 25667 769 1 4 . 1 1 338 338 GLY N N 338 109.026 109.026 106.293 2.733 25667 770 1 4 . 1 1 338 338 GLY C C 338 174.731 174.731 175.167 -0.436 25667 771 1 4 . 1 1 338 338 GLY CA C 338 45.575 45.575 44.996 0.579 25667 772 1 4 . 1 1 338 338 GLY H H 338 8.254 8.254 8.770 -0.516 25667 773 1 4 . 1 1 339 339 MET N N 339 120.118 120.118 121.004 -0.886 25667 774 1 4 . 1 1 339 339 MET HA H 339 4.410 4.410 3.924 0.486 25667 775 1 4 . 1 1 339 339 MET C C 339 176.753 176.753 177.055 -0.302 25667 776 1 4 . 1 1 339 339 MET CA C 339 56.247 56.247 55.801 0.446 25667 777 1 4 . 1 1 339 339 MET CB C 339 31.844 31.844 31.693 0.151 25667 778 1 4 . 1 1 339 339 MET H H 339 8.068 8.068 7.594 0.474 25667 779 1 4 . 1 1 340 340 LEU N N 340 122.097 122.097 118.906 3.191 25667 780 1 4 . 1 1 340 340 LEU HA H 340 4.323 4.323 4.053 0.270 25667 781 1 4 . 1 1 340 340 LEU CA C 340 55.336 55.336 57.307 -1.971 25667 782 1 4 . 1 1 340 340 LEU CB C 340 41.950 41.950 40.917 1.033 25667 783 1 4 . 1 1 340 340 LEU H H 340 8.177 8.177 8.001 0.176 25667 784 1 4 . 1 1 341 341 ALA N N 341 123.844 123.844 120.165 3.679 25667 785 1 4 . 1 1 341 341 ALA HA H 341 4.334 4.334 4.120 0.214 25667 786 1 4 . 1 1 341 341 ALA C C 341 178.324 178.324 178.732 -0.408 25667 787 1 4 . 1 1 341 341 ALA CA C 341 53.129 53.129 54.520 -1.391 25667 788 1 4 . 1 1 341 341 ALA CB C 341 18.659 18.659 18.444 0.215 25667 789 1 4 . 1 1 341 341 ALA H H 341 8.180 8.180 7.545 0.635 25667 790 1 4 . 1 1 342 342 SER N N 342 113.799 113.799 113.866 -0.067 25667 791 1 4 . 1 1 342 342 SER HA H 342 4.395 4.395 4.384 0.011 25667 792 1 4 . 1 1 342 342 SER C C 342 174.975 174.975 176.885 -1.910 25667 793 1 4 . 1 1 342 342 SER CA C 342 58.511 58.511 60.319 -1.808 25667 794 1 4 . 1 1 342 342 SER CB C 342 63.372 63.372 63.582 -0.210 25667 795 1 4 . 1 1 342 342 SER H H 342 8.096 8.096 7.409 0.687 25667 796 1 4 . 1 1 343 343 GLN N N 343 121.045 121.045 120.392 0.653 25667 797 1 4 . 1 1 343 343 GLN HA H 343 4.515 4.515 4.106 0.409 25667 798 1 4 . 1 1 343 343 GLN C C 343 176.230 176.230 177.312 -1.082 25667 799 1 4 . 1 1 343 343 GLN CA C 343 55.882 55.882 58.033 -2.151 25667 800 1 4 . 1 1 343 343 GLN CB C 343 29.175 29.175 28.317 0.858 25667 801 1 4 . 1 1 343 343 GLN H H 343 8.219 8.219 8.281 -0.062 25667 802 1 4 . 1 1 344 344 GLN N N 344 120.302 120.302 116.456 3.846 25667 803 1 4 . 1 1 344 344 GLN HA H 344 4.398 4.398 4.208 0.190 25667 804 1 4 . 1 1 344 344 GLN CA C 344 55.771 55.771 56.724 -0.953 25667 805 1 4 . 1 1 344 344 GLN CB C 344 29.284 29.284 28.820 0.464 25667 806 1 4 . 1 1 344 344 GLN H H 344 8.238 8.238 7.568 0.670 25667 807 1 4 . 1 1 345 345 ASN N N 345 119.326 119.326 120.007 -0.681 25667 808 1 4 . 1 1 345 345 ASN HA H 345 4.694 4.694 4.744 -0.050 25667 809 1 4 . 1 1 345 345 ASN C C 345 175.289 175.289 173.952 1.337 25667 810 1 4 . 1 1 345 345 ASN CA C 345 53.413 53.413 53.306 0.107 25667 811 1 4 . 1 1 345 345 ASN CB C 345 38.461 38.461 37.803 0.658 25667 812 1 4 . 1 1 345 345 ASN H H 345 8.408 8.408 7.570 0.838 25667 813 1 4 . 1 1 346 346 GLN N N 346 120.640 120.640 119.151 1.489 25667 814 1 4 . 1 1 346 346 GLN HA H 346 4.057 4.057 4.340 -0.283 25667 815 1 4 . 1 1 346 346 GLN C C 346 176.009 176.009 173.926 2.083 25667 816 1 4 . 1 1 346 346 GLN CA C 346 55.671 55.671 55.697 -0.026 25667 817 1 4 . 1 1 346 346 GLN CB C 346 29.049 29.049 31.401 -2.352 25667 818 1 4 . 1 1 346 346 GLN H H 346 8.366 8.366 7.620 0.746 25667 819 1 4 . 1 1 347 347 SER N N 347 116.808 116.808 117.984 -1.176 25667 820 1 4 . 1 1 347 347 SER HA H 347 4.506 4.506 4.817 -0.311 25667 821 1 4 . 1 1 347 347 SER C C 347 174.595 174.595 173.704 0.891 25667 822 1 4 . 1 1 347 347 SER CA C 347 58.548 58.548 57.436 1.112 25667 823 1 4 . 1 1 347 347 SER CB C 347 64.048 64.048 64.985 -0.937 25667 824 1 4 . 1 1 347 347 SER H H 347 8.364 8.364 8.520 -0.156 25667 825 1 4 . 1 1 348 348 GLY N N 348 110.627 110.627 112.966 -2.339 25667 826 1 4 . 1 1 348 348 GLY H H 348 8.221 8.221 8.725 -0.504 25667 827 1 4 . 1 1 349 349 PRO C C 349 177.497 177.497 176.913 0.584 25667 828 1 4 . 1 1 349 349 PRO CA C 349 63.262 63.262 63.626 -0.363 25667 829 1 4 . 1 1 349 349 PRO CB C 349 31.949 31.949 32.079 -0.130 25667 830 1 4 . 1 1 350 350 SER N N 350 115.992 115.992 115.055 0.937 25667 831 1 4 . 1 1 350 350 SER C C 350 175.193 175.193 174.389 0.804 25667 832 1 4 . 1 1 350 350 SER CA C 350 58.568 58.568 57.725 0.843 25667 833 1 4 . 1 1 350 350 SER CB C 350 63.900 63.900 62.072 1.828 25667 834 1 4 . 1 1 350 350 SER H H 350 8.474 8.474 8.045 0.429 25667 835 1 4 . 1 1 351 351 GLY N N 351 110.440 110.440 113.889 -3.449 25667 836 1 4 . 1 1 351 351 GLY H H 351 8.352 8.352 8.203 0.149 25667 837 1 4 . 1 1 353 353 ASN CA C 353 53.555 53.555 52.272 1.283 25667 838 1 4 . 1 1 353 353 ASN CB C 353 38.461 38.461 38.730 -0.270 25667 839 1 4 . 1 1 354 354 GLN N N 354 120.218 120.218 116.572 3.646 25667 840 1 4 . 1 1 354 354 GLN HA H 354 4.307 4.307 3.977 0.330 25667 841 1 4 . 1 1 354 354 GLN C C 354 175.916 175.916 176.312 -0.396 25667 842 1 4 . 1 1 354 354 GLN CA C 354 55.948 55.948 59.091 -3.143 25667 843 1 4 . 1 1 354 354 GLN CB C 354 29.163 29.163 26.957 2.206 25667 844 1 4 . 1 1 354 354 GLN H H 354 8.388 8.388 8.992 -0.604 25667 845 1 4 . 1 1 355 355 ASN N N 355 119.285 119.285 117.598 1.687 25667 846 1 4 . 1 1 355 355 ASN HA H 355 4.697 4.697 4.622 0.075 25667 847 1 4 . 1 1 355 355 ASN C C 355 175.114 175.114 176.087 -0.973 25667 848 1 4 . 1 1 355 355 ASN CA C 355 53.239 53.239 53.723 -0.484 25667 849 1 4 . 1 1 355 355 ASN CB C 355 38.581 38.581 38.944 -0.363 25667 850 1 4 . 1 1 355 355 ASN H H 355 8.457 8.457 8.401 0.056 25667 851 1 4 . 1 1 356 356 GLN N N 356 119.185 119.185 116.994 2.191 25667 852 1 4 . 1 1 356 356 GLN HA H 356 4.776 4.776 3.949 0.827 25667 853 1 4 . 1 1 356 356 GLN C C 356 176.405 176.405 175.429 0.976 25667 854 1 4 . 1 1 356 356 GLN CA C 356 55.865 55.865 57.366 -1.501 25667 855 1 4 . 1 1 356 356 GLN CB C 356 29.239 29.239 27.948 1.290 25667 856 1 4 . 1 1 356 356 GLN H H 356 8.469 8.469 8.595 -0.126 25667 857 1 4 . 1 1 357 357 GLY N N 357 109.452 109.452 107.932 1.520 25667 858 1 4 . 1 1 357 357 GLY C C 357 173.923 173.923 173.166 0.757 25667 859 1 4 . 1 1 357 357 GLY CA C 357 45.488 45.488 44.468 1.020 25667 860 1 4 . 1 1 357 357 GLY H H 357 8.424 8.424 7.881 0.543 25667 861 1 4 . 1 1 358 358 ASN N N 358 118.477 118.477 123.287 -4.810 25667 862 1 4 . 1 1 358 358 ASN HA H 358 4.736 4.736 4.878 -0.142 25667 863 1 4 . 1 1 358 358 ASN C C 358 175.184 175.184 175.293 -0.109 25667 864 1 4 . 1 1 358 358 ASN CA C 358 53.406 53.406 52.826 0.580 25667 865 1 4 . 1 1 358 358 ASN CB C 358 38.470 38.470 37.971 0.499 25667 866 1 4 . 1 1 358 358 ASN H H 358 8.295 8.295 8.861 -0.566 25667 867 1 4 . 1 1 359 359 MET N N 359 120.987 120.987 118.383 2.604 25667 868 1 4 . 1 1 359 359 MET HA H 359 4.482 4.482 4.536 -0.054 25667 869 1 4 . 1 1 359 359 MET C C 359 175.289 175.289 175.913 -0.624 25667 870 1 4 . 1 1 359 359 MET CA C 359 55.358 55.358 55.431 -0.073 25667 871 1 4 . 1 1 359 359 MET CB C 359 33.212 33.212 34.248 -1.036 25667 872 1 4 . 1 1 359 359 MET H H 359 8.349 8.349 8.224 0.125 25667 873 1 5 . 1 1 313 313 PHE C C 313 175.149 175.149 175.849 -0.700 25667 874 1 5 . 1 1 314 314 GLY N N 314 110.148 110.148 109.518 0.630 25667 875 1 5 . 1 1 314 314 GLY C C 314 173.918 173.918 173.004 0.914 25667 876 1 5 . 1 1 314 314 GLY CA C 314 45.059 45.059 45.158 -0.099 25667 877 1 5 . 1 1 314 314 GLY H H 314 8.338 8.338 7.887 0.451 25667 878 1 5 . 1 1 315 315 ALA N N 315 123.626 123.626 122.691 0.935 25667 879 1 5 . 1 1 315 315 ALA HA H 315 4.251 4.251 4.461 -0.210 25667 880 1 5 . 1 1 315 315 ALA H H 315 8.032 8.032 7.929 0.103 25667 881 1 5 . 1 1 316 316 PHE N N 316 117.829 117.829 118.210 -0.381 25667 882 1 5 . 1 1 316 316 PHE HA H 316 4.463 4.463 4.340 0.123 25667 883 1 5 . 1 1 316 316 PHE C C 316 175.568 175.568 175.149 0.419 25667 884 1 5 . 1 1 316 316 PHE H H 316 8.286 8.286 7.976 0.310 25667 885 1 5 . 1 1 317 317 SER N N 317 116.896 116.896 117.183 -0.287 25667 886 1 5 . 1 1 317 317 SER HA H 317 4.441 4.441 4.679 -0.238 25667 887 1 5 . 1 1 317 317 SER C C 317 174.661 174.661 174.014 0.647 25667 888 1 5 . 1 1 317 317 SER CB C 317 63.893 63.893 62.524 1.369 25667 889 1 5 . 1 1 317 317 SER H H 317 8.056 8.056 8.359 -0.303 25667 890 1 5 . 1 1 318 318 ILE N N 318 121.668 121.668 123.188 -1.520 25667 891 1 5 . 1 1 318 318 ILE HA H 318 4.262 4.262 4.203 0.059 25667 892 1 5 . 1 1 318 318 ILE C C 318 175.540 175.540 175.562 -0.022 25667 893 1 5 . 1 1 318 318 ILE CA C 318 61.601 61.601 61.446 0.155 25667 894 1 5 . 1 1 318 318 ILE CB C 318 39.035 39.035 39.176 -0.141 25667 895 1 5 . 1 1 318 318 ILE H H 318 8.047 8.047 8.021 0.026 25667 896 1 5 . 1 1 319 319 ASN N N 319 123.549 123.549 126.950 -3.401 25667 897 1 5 . 1 1 319 319 ASN HA H 319 4.741 4.741 5.044 -0.303 25667 898 1 5 . 1 1 319 319 ASN H H 319 8.419 8.419 8.529 -0.110 25667 899 1 5 . 1 1 320 320 PRO C C 320 174.975 174.975 176.824 -1.849 25667 900 1 5 . 1 1 321 321 ALA N N 321 121.415 121.415 127.130 -5.715 25667 901 1 5 . 1 1 321 321 ALA HA H 321 4.182 4.182 4.064 0.118 25667 902 1 5 . 1 1 321 321 ALA CA C 321 53.258 53.258 55.256 -1.998 25667 903 1 5 . 1 1 321 321 ALA CB C 321 18.398 18.398 18.844 -0.446 25667 904 1 5 . 1 1 321 321 ALA H H 321 8.170 8.170 8.712 -0.542 25667 905 1 5 . 1 1 322 322 MET N N 322 118.223 118.223 117.118 1.105 25667 906 1 5 . 1 1 322 322 MET HA H 322 4.414 4.414 4.241 0.173 25667 907 1 5 . 1 1 322 322 MET C C 322 176.718 176.718 177.967 -1.249 25667 908 1 5 . 1 1 322 322 MET CA C 322 56.000 56.000 58.469 -2.470 25667 909 1 5 . 1 1 322 322 MET CB C 322 32.106 32.106 32.494 -0.388 25667 910 1 5 . 1 1 322 322 MET H H 322 8.001 8.001 8.294 -0.293 25667 911 1 5 . 1 1 323 323 MET N N 323 120.466 120.466 119.522 0.944 25667 912 1 5 . 1 1 323 323 MET HA H 323 4.339 4.339 4.287 0.052 25667 913 1 5 . 1 1 323 323 MET C C 323 177.799 177.799 177.829 -0.030 25667 914 1 5 . 1 1 323 323 MET CA C 323 56.191 56.191 56.858 -0.667 25667 915 1 5 . 1 1 323 323 MET CB C 323 31.874 31.874 32.154 -0.280 25667 916 1 5 . 1 1 323 323 MET H H 323 8.011 8.011 7.662 0.349 25667 917 1 5 . 1 1 324 324 ALA N N 324 123.816 123.816 121.671 2.145 25667 918 1 5 . 1 1 324 324 ALA HA H 324 4.257 4.257 3.971 0.286 25667 919 1 5 . 1 1 324 324 ALA H H 324 8.183 8.183 8.457 -0.274 25667 920 1 5 . 1 1 325 325 ALA C C 325 174.696 174.696 179.326 -4.630 25667 921 1 5 . 1 1 325 325 ALA CA C 325 53.257 53.257 54.701 -1.444 25667 922 1 5 . 1 1 325 325 ALA CB C 325 18.466 18.466 18.383 0.083 25667 923 1 5 . 1 1 326 326 ALA N N 326 122.221 122.221 119.868 2.353 25667 924 1 5 . 1 1 326 326 ALA HA H 326 4.331 4.331 4.138 0.193 25667 925 1 5 . 1 1 326 326 ALA C C 326 177.381 177.381 178.973 -1.592 25667 926 1 5 . 1 1 326 326 ALA CA C 326 52.677 52.677 54.176 -1.499 25667 927 1 5 . 1 1 326 326 ALA CB C 326 18.722 18.722 18.274 0.448 25667 928 1 5 . 1 1 326 326 ALA H H 326 8.078 8.078 7.492 0.586 25667 929 1 5 . 1 1 327 327 GLN N N 327 118.366 118.366 118.041 0.325 25667 930 1 5 . 1 1 327 327 GLN HA H 327 4.183 4.183 4.135 0.048 25667 931 1 5 . 1 1 327 327 GLN C C 327 172.918 172.918 178.130 -5.212 25667 932 1 5 . 1 1 327 327 GLN CA C 327 56.701 56.701 57.992 -1.291 25667 933 1 5 . 1 1 327 327 GLN CB C 327 28.906 28.906 29.081 -0.175 25667 934 1 5 . 1 1 327 327 GLN H H 327 8.099 8.099 7.639 0.460 25667 935 1 5 . 1 1 328 328 ALA N N 328 123.574 123.574 121.844 1.730 25667 936 1 5 . 1 1 328 328 ALA HA H 328 4.338 4.338 4.165 0.173 25667 937 1 5 . 1 1 328 328 ALA C C 328 176.126 176.126 179.151 -3.025 25667 938 1 5 . 1 1 328 328 ALA CA C 328 53.212 53.212 54.059 -0.847 25667 939 1 5 . 1 1 328 328 ALA CB C 328 18.520 18.520 18.054 0.466 25667 940 1 5 . 1 1 328 328 ALA H H 328 8.107 8.107 8.110 -0.002 25667 941 1 5 . 1 1 329 329 ALA N N 329 121.502 121.502 121.122 0.380 25667 942 1 5 . 1 1 329 329 ALA HA H 329 4.199 4.199 4.095 0.104 25667 943 1 5 . 1 1 329 329 ALA CA C 329 52.809 52.809 53.843 -1.034 25667 944 1 5 . 1 1 329 329 ALA CB C 329 18.545 18.545 18.460 0.085 25667 945 1 5 . 1 1 329 329 ALA H H 329 7.985 7.985 7.548 0.437 25667 946 1 5 . 1 1 330 330 LEU N N 330 120.175 120.175 116.537 3.638 25667 947 1 5 . 1 1 330 330 LEU HA H 330 4.258 4.258 4.092 0.166 25667 948 1 5 . 1 1 330 330 LEU C C 330 178.078 178.078 177.934 0.144 25667 949 1 5 . 1 1 330 330 LEU CA C 330 56.445 56.445 55.934 0.511 25667 950 1 5 . 1 1 330 330 LEU CB C 330 41.810 41.810 41.750 0.060 25667 951 1 5 . 1 1 330 330 LEU H H 330 7.900 7.900 7.217 0.683 25667 952 1 5 . 1 1 331 331 GLN N N 331 120.194 120.194 117.836 2.358 25667 953 1 5 . 1 1 331 331 GLN HA H 331 4.071 4.071 4.202 -0.131 25667 954 1 5 . 1 1 331 331 GLN CA C 331 56.131 56.131 55.116 1.015 25667 955 1 5 . 1 1 331 331 GLN CB C 331 29.094 29.094 26.685 2.409 25667 956 1 5 . 1 1 331 331 GLN H H 331 8.310 8.310 7.338 0.972 25667 957 1 5 . 1 1 332 332 SER N N 332 115.944 115.944 117.334 -1.390 25667 958 1 5 . 1 1 332 332 SER HA H 332 4.421 4.421 4.287 0.134 25667 959 1 5 . 1 1 332 332 SER H H 332 8.245 8.245 8.006 0.239 25667 960 1 5 . 1 1 333 333 SER N N 333 117.327 117.327 116.981 0.346 25667 961 1 5 . 1 1 333 333 SER C C 333 174.661 174.661 173.612 1.049 25667 962 1 5 . 1 1 333 333 SER H H 333 8.143 8.143 8.035 0.108 25667 963 1 5 . 1 1 334 334 TRP N N 334 123.002 123.002 124.694 -1.692 25667 964 1 5 . 1 1 334 334 TRP HA H 334 4.646 4.646 4.791 -0.145 25667 965 1 5 . 1 1 334 334 TRP C C 334 176.928 176.928 176.807 0.121 25667 966 1 5 . 1 1 334 334 TRP CA C 334 56.099 56.099 56.872 -0.773 25667 967 1 5 . 1 1 334 334 TRP CB C 334 31.916 31.916 31.456 0.461 25667 968 1 5 . 1 1 334 334 TRP H H 334 8.092 8.092 8.578 -0.486 25667 969 1 5 . 1 1 335 335 ASP N N 335 119.016 119.016 121.800 -2.784 25667 970 1 5 . 1 1 335 335 ASP HA H 335 4.416 4.416 4.709 -0.293 25667 971 1 5 . 1 1 335 335 ASP C C 335 176.300 176.300 176.250 0.050 25667 972 1 5 . 1 1 335 335 ASP CA C 335 54.354 54.354 55.235 -0.881 25667 973 1 5 . 1 1 335 335 ASP CB C 335 40.572 40.572 41.811 -1.239 25667 974 1 5 . 1 1 335 335 ASP H H 335 8.205 8.205 8.876 -0.671 25667 975 1 5 . 1 1 336 336 MET N N 336 120.419 120.419 118.806 1.613 25667 976 1 5 . 1 1 336 336 MET HA H 336 3.988 3.988 4.522 -0.534 25667 977 1 5 . 1 1 336 336 MET C C 336 175.707 175.707 178.583 -2.876 25667 978 1 5 . 1 1 336 336 MET CA C 336 55.159 55.159 56.584 -1.425 25667 979 1 5 . 1 1 336 336 MET CB C 336 31.874 31.874 32.986 -1.111 25667 980 1 5 . 1 1 336 336 MET H H 336 8.063 8.063 7.712 0.351 25667 981 1 5 . 1 1 337 337 MET N N 337 119.862 119.862 116.704 3.158 25667 982 1 5 . 1 1 337 337 MET HA H 337 4.678 4.678 4.646 0.032 25667 983 1 5 . 1 1 337 337 MET C C 337 177.451 177.451 177.048 0.403 25667 984 1 5 . 1 1 337 337 MET CA C 337 56.106 56.106 57.001 -0.895 25667 985 1 5 . 1 1 337 337 MET CB C 337 32.013 32.013 31.716 0.297 25667 986 1 5 . 1 1 337 337 MET H H 337 8.346 8.346 8.198 0.148 25667 987 1 5 . 1 1 338 338 GLY N N 338 109.026 109.026 108.166 0.860 25667 988 1 5 . 1 1 338 338 GLY C C 338 174.731 174.731 175.057 -0.326 25667 989 1 5 . 1 1 338 338 GLY CA C 338 45.575 45.575 45.715 -0.140 25667 990 1 5 . 1 1 338 338 GLY H H 338 8.254 8.254 8.782 -0.528 25667 991 1 5 . 1 1 339 339 MET N N 339 120.118 120.118 121.502 -1.384 25667 992 1 5 . 1 1 339 339 MET HA H 339 4.410 4.410 4.139 0.271 25667 993 1 5 . 1 1 339 339 MET C C 339 176.753 176.753 177.412 -0.659 25667 994 1 5 . 1 1 339 339 MET CA C 339 56.247 56.247 57.867 -1.620 25667 995 1 5 . 1 1 339 339 MET CB C 339 31.844 31.844 32.488 -0.644 25667 996 1 5 . 1 1 339 339 MET H H 339 8.068 8.068 7.589 0.479 25667 997 1 5 . 1 1 340 340 LEU N N 340 122.097 122.097 119.785 2.312 25667 998 1 5 . 1 1 340 340 LEU HA H 340 4.323 4.323 3.999 0.324 25667 999 1 5 . 1 1 340 340 LEU CA C 340 55.336 55.336 57.682 -2.346 25667 1000 1 5 . 1 1 340 340 LEU CB C 340 41.950 41.950 41.916 0.034 25667 1001 1 5 . 1 1 340 340 LEU H H 340 8.177 8.177 7.641 0.536 25667 1002 1 5 . 1 1 341 341 ALA N N 341 123.844 123.844 120.002 3.842 25667 1003 1 5 . 1 1 341 341 ALA HA H 341 4.334 4.334 4.169 0.165 25667 1004 1 5 . 1 1 341 341 ALA C C 341 178.324 178.324 179.257 -0.933 25667 1005 1 5 . 1 1 341 341 ALA CA C 341 53.129 53.129 55.044 -1.915 25667 1006 1 5 . 1 1 341 341 ALA CB C 341 18.659 18.659 18.086 0.573 25667 1007 1 5 . 1 1 341 341 ALA H H 341 8.180 8.180 7.602 0.578 25667 1008 1 5 . 1 1 342 342 SER N N 342 113.799 113.799 113.607 0.192 25667 1009 1 5 . 1 1 342 342 SER HA H 342 4.395 4.395 4.320 0.075 25667 1010 1 5 . 1 1 342 342 SER C C 342 174.975 174.975 176.848 -1.873 25667 1011 1 5 . 1 1 342 342 SER CA C 342 58.511 58.511 61.103 -2.592 25667 1012 1 5 . 1 1 342 342 SER CB C 342 63.372 63.372 62.876 0.496 25667 1013 1 5 . 1 1 342 342 SER H H 342 8.096 8.096 7.439 0.657 25667 1014 1 5 . 1 1 343 343 GLN N N 343 121.045 121.045 120.348 0.697 25667 1015 1 5 . 1 1 343 343 GLN HA H 343 4.515 4.515 4.150 0.365 25667 1016 1 5 . 1 1 343 343 GLN C C 343 176.230 176.230 176.914 -0.684 25667 1017 1 5 . 1 1 343 343 GLN CA C 343 55.882 55.882 57.510 -1.628 25667 1018 1 5 . 1 1 343 343 GLN CB C 343 29.175 29.175 28.674 0.501 25667 1019 1 5 . 1 1 343 343 GLN H H 343 8.219 8.219 8.149 0.070 25667 1020 1 5 . 1 1 344 344 GLN N N 344 120.302 120.302 118.414 1.888 25667 1021 1 5 . 1 1 344 344 GLN HA H 344 4.398 4.398 4.134 0.264 25667 1022 1 5 . 1 1 344 344 GLN CA C 344 55.771 55.771 57.115 -1.344 25667 1023 1 5 . 1 1 344 344 GLN CB C 344 29.284 29.284 28.939 0.345 25667 1024 1 5 . 1 1 344 344 GLN H H 344 8.238 8.238 7.667 0.571 25667 1025 1 5 . 1 1 345 345 ASN N N 345 119.326 119.326 118.204 1.122 25667 1026 1 5 . 1 1 345 345 ASN HA H 345 4.694 4.694 4.599 0.095 25667 1027 1 5 . 1 1 345 345 ASN C C 345 175.289 175.289 174.237 1.052 25667 1028 1 5 . 1 1 345 345 ASN CA C 345 53.413 53.413 52.870 0.543 25667 1029 1 5 . 1 1 345 345 ASN CB C 345 38.461 38.461 38.652 -0.191 25667 1030 1 5 . 1 1 345 345 ASN H H 345 8.408 8.408 7.777 0.631 25667 1031 1 5 . 1 1 346 346 GLN N N 346 120.640 120.640 124.731 -4.091 25667 1032 1 5 . 1 1 346 346 GLN HA H 346 4.057 4.057 4.483 -0.426 25667 1033 1 5 . 1 1 346 346 GLN C C 346 176.009 176.009 175.399 0.610 25667 1034 1 5 . 1 1 346 346 GLN CA C 346 55.671 55.671 55.647 0.024 25667 1035 1 5 . 1 1 346 346 GLN CB C 346 29.049 29.049 29.397 -0.348 25667 1036 1 5 . 1 1 346 346 GLN H H 346 8.366 8.366 8.447 -0.081 25667 1037 1 5 . 1 1 347 347 SER N N 347 116.808 116.808 120.933 -4.125 25667 1038 1 5 . 1 1 347 347 SER HA H 347 4.506 4.506 4.651 -0.145 25667 1039 1 5 . 1 1 347 347 SER C C 347 174.595 174.595 175.143 -0.548 25667 1040 1 5 . 1 1 347 347 SER CA C 347 58.548 58.548 58.164 0.384 25667 1041 1 5 . 1 1 347 347 SER CB C 347 64.048 64.048 63.832 0.216 25667 1042 1 5 . 1 1 347 347 SER H H 347 8.364 8.364 8.920 -0.556 25667 1043 1 5 . 1 1 348 348 GLY N N 348 110.627 110.627 112.443 -1.816 25667 1044 1 5 . 1 1 348 348 GLY H H 348 8.221 8.221 8.370 -0.149 25667 1045 1 5 . 1 1 349 349 PRO C C 349 177.497 177.497 177.305 0.192 25667 1046 1 5 . 1 1 349 349 PRO CA C 349 63.262 63.262 62.809 0.453 25667 1047 1 5 . 1 1 349 349 PRO CB C 349 31.949 31.949 32.362 -0.413 25667 1048 1 5 . 1 1 350 350 SER N N 350 115.992 115.992 112.690 3.302 25667 1049 1 5 . 1 1 350 350 SER C C 350 175.193 175.193 173.873 1.320 25667 1050 1 5 . 1 1 350 350 SER CA C 350 58.568 58.568 58.075 0.493 25667 1051 1 5 . 1 1 350 350 SER CB C 350 63.900 63.900 63.495 0.405 25667 1052 1 5 . 1 1 350 350 SER H H 350 8.474 8.474 7.793 0.681 25667 1053 1 5 . 1 1 351 351 GLY N N 351 110.440 110.440 109.053 1.387 25667 1054 1 5 . 1 1 351 351 GLY H H 351 8.352 8.352 8.450 -0.098 25667 1055 1 5 . 1 1 353 353 ASN CA C 353 53.555 53.555 53.363 0.192 25667 1056 1 5 . 1 1 353 353 ASN CB C 353 38.461 38.461 38.914 -0.453 25667 1057 1 5 . 1 1 354 354 GLN N N 354 120.218 120.218 121.817 -1.599 25667 1058 1 5 . 1 1 354 354 GLN HA H 354 4.307 4.307 4.347 -0.040 25667 1059 1 5 . 1 1 354 354 GLN C C 354 175.916 175.916 175.593 0.323 25667 1060 1 5 . 1 1 354 354 GLN CA C 354 55.948 55.948 55.374 0.574 25667 1061 1 5 . 1 1 354 354 GLN CB C 354 29.163 29.163 30.017 -0.854 25667 1062 1 5 . 1 1 354 354 GLN H H 354 8.388 8.388 8.406 -0.018 25667 1063 1 5 . 1 1 355 355 ASN N N 355 119.285 119.285 119.346 -0.061 25667 1064 1 5 . 1 1 355 355 ASN HA H 355 4.697 4.697 4.573 0.124 25667 1065 1 5 . 1 1 355 355 ASN C C 355 175.114 175.114 175.633 -0.519 25667 1066 1 5 . 1 1 355 355 ASN CA C 355 53.239 53.239 53.674 -0.435 25667 1067 1 5 . 1 1 355 355 ASN CB C 355 38.581 38.581 39.057 -0.476 25667 1068 1 5 . 1 1 355 355 ASN H H 355 8.457 8.457 8.616 -0.159 25667 1069 1 5 . 1 1 356 356 GLN N N 356 119.185 119.185 123.288 -4.103 25667 1070 1 5 . 1 1 356 356 GLN HA H 356 4.776 4.776 4.334 0.442 25667 1071 1 5 . 1 1 356 356 GLN C C 356 176.405 176.405 175.913 0.492 25667 1072 1 5 . 1 1 356 356 GLN CA C 356 55.865 55.865 56.185 -0.320 25667 1073 1 5 . 1 1 356 356 GLN CB C 356 29.239 29.239 28.248 0.991 25667 1074 1 5 . 1 1 356 356 GLN H H 356 8.469 8.469 8.658 -0.189 25667 1075 1 5 . 1 1 357 357 GLY N N 357 109.452 109.452 110.876 -1.424 25667 1076 1 5 . 1 1 357 357 GLY C C 357 173.923 173.923 172.841 1.082 25667 1077 1 5 . 1 1 357 357 GLY CA C 357 45.488 45.488 45.020 0.468 25667 1078 1 5 . 1 1 357 357 GLY H H 357 8.424 8.424 7.822 0.602 25667 1079 1 5 . 1 1 358 358 ASN N N 358 118.477 118.477 119.272 -0.795 25667 1080 1 5 . 1 1 358 358 ASN HA H 358 4.736 4.736 4.827 -0.091 25667 1081 1 5 . 1 1 358 358 ASN C C 358 175.184 175.184 174.889 0.295 25667 1082 1 5 . 1 1 358 358 ASN CA C 358 53.406 53.406 52.944 0.462 25667 1083 1 5 . 1 1 358 358 ASN CB C 358 38.470 38.470 37.980 0.490 25667 1084 1 5 . 1 1 358 358 ASN H H 358 8.295 8.295 8.586 -0.291 25667 1085 1 5 . 1 1 359 359 MET N N 359 120.987 120.987 123.606 -2.619 25667 1086 1 5 . 1 1 359 359 MET HA H 359 4.482 4.482 4.618 -0.136 25667 1087 1 5 . 1 1 359 359 MET C C 359 175.289 175.289 175.791 -0.502 25667 1088 1 5 . 1 1 359 359 MET CA C 359 55.358 55.358 55.168 0.190 25667 1089 1 5 . 1 1 359 359 MET CB C 359 33.212 33.212 31.577 1.635 25667 1090 1 5 . 1 1 359 359 MET H H 359 8.349 8.349 8.341 0.008 25667 1091 1 6 . 1 1 313 313 PHE C C 313 175.149 175.149 175.590 -0.441 25667 1092 1 6 . 1 1 314 314 GLY N N 314 110.148 110.148 107.110 3.038 25667 1093 1 6 . 1 1 314 314 GLY C C 314 173.918 173.918 172.944 0.974 25667 1094 1 6 . 1 1 314 314 GLY CA C 314 45.059 45.059 44.203 0.856 25667 1095 1 6 . 1 1 314 314 GLY H H 314 8.338 8.338 7.449 0.889 25667 1096 1 6 . 1 1 315 315 ALA N N 315 123.626 123.626 125.331 -1.705 25667 1097 1 6 . 1 1 315 315 ALA HA H 315 4.251 4.251 4.126 0.125 25667 1098 1 6 . 1 1 315 315 ALA H H 315 8.032 8.032 8.025 0.007 25667 1099 1 6 . 1 1 316 316 PHE N N 316 117.829 117.829 115.507 2.322 25667 1100 1 6 . 1 1 316 316 PHE HA H 316 4.463 4.463 4.262 0.201 25667 1101 1 6 . 1 1 316 316 PHE C C 316 175.568 175.568 175.484 0.084 25667 1102 1 6 . 1 1 316 316 PHE H H 316 8.286 8.286 8.118 0.168 25667 1103 1 6 . 1 1 317 317 SER N N 317 116.896 116.896 114.989 1.907 25667 1104 1 6 . 1 1 317 317 SER HA H 317 4.441 4.441 4.334 0.107 25667 1105 1 6 . 1 1 317 317 SER C C 317 174.661 174.661 175.006 -0.345 25667 1106 1 6 . 1 1 317 317 SER CB C 317 63.893 63.893 63.450 0.443 25667 1107 1 6 . 1 1 317 317 SER H H 317 8.056 8.056 8.152 -0.096 25667 1108 1 6 . 1 1 318 318 ILE N N 318 121.668 121.668 117.534 4.134 25667 1109 1 6 . 1 1 318 318 ILE HA H 318 4.262 4.262 4.514 -0.252 25667 1110 1 6 . 1 1 318 318 ILE C C 318 175.540 175.540 174.373 1.167 25667 1111 1 6 . 1 1 318 318 ILE CA C 318 61.601 61.601 59.433 2.168 25667 1112 1 6 . 1 1 318 318 ILE CB C 318 39.035 39.035 40.926 -1.891 25667 1113 1 6 . 1 1 318 318 ILE H H 318 8.047 8.047 7.468 0.579 25667 1114 1 6 . 1 1 319 319 ASN N N 319 123.549 123.549 121.870 1.679 25667 1115 1 6 . 1 1 319 319 ASN HA H 319 4.741 4.741 4.991 -0.250 25667 1116 1 6 . 1 1 319 319 ASN H H 319 8.419 8.419 8.415 0.004 25667 1117 1 6 . 1 1 320 320 PRO C C 320 174.975 174.975 177.105 -2.130 25667 1118 1 6 . 1 1 321 321 ALA N N 321 121.415 121.415 127.266 -5.851 25667 1119 1 6 . 1 1 321 321 ALA HA H 321 4.182 4.182 4.146 0.036 25667 1120 1 6 . 1 1 321 321 ALA CA C 321 53.258 53.258 54.602 -1.345 25667 1121 1 6 . 1 1 321 321 ALA CB C 321 18.398 18.398 18.859 -0.461 25667 1122 1 6 . 1 1 321 321 ALA H H 321 8.170 8.170 8.606 -0.436 25667 1123 1 6 . 1 1 322 322 MET N N 322 118.223 118.223 115.112 3.111 25667 1124 1 6 . 1 1 322 322 MET HA H 322 4.414 4.414 4.184 0.230 25667 1125 1 6 . 1 1 322 322 MET C C 322 176.718 176.718 178.063 -1.345 25667 1126 1 6 . 1 1 322 322 MET CA C 322 56.000 56.000 58.227 -2.227 25667 1127 1 6 . 1 1 322 322 MET CB C 322 32.106 32.106 31.730 0.376 25667 1128 1 6 . 1 1 322 322 MET H H 322 8.001 8.001 8.243 -0.242 25667 1129 1 6 . 1 1 323 323 MET N N 323 120.466 120.466 119.135 1.331 25667 1130 1 6 . 1 1 323 323 MET HA H 323 4.339 4.339 4.104 0.235 25667 1131 1 6 . 1 1 323 323 MET C C 323 177.799 177.799 178.213 -0.414 25667 1132 1 6 . 1 1 323 323 MET CA C 323 56.191 56.191 58.726 -2.535 25667 1133 1 6 . 1 1 323 323 MET CB C 323 31.874 31.874 32.089 -0.214 25667 1134 1 6 . 1 1 323 323 MET H H 323 8.011 8.011 7.682 0.329 25667 1135 1 6 . 1 1 324 324 ALA N N 324 123.816 123.816 121.248 2.568 25667 1136 1 6 . 1 1 324 324 ALA HA H 324 4.257 4.257 4.102 0.155 25667 1137 1 6 . 1 1 324 324 ALA H H 324 8.183 8.183 7.570 0.613 25667 1138 1 6 . 1 1 325 325 ALA C C 325 174.696 174.696 179.511 -4.815 25667 1139 1 6 . 1 1 325 325 ALA CA C 325 53.257 53.257 54.758 -1.501 25667 1140 1 6 . 1 1 325 325 ALA CB C 325 18.466 18.466 18.400 0.066 25667 1141 1 6 . 1 1 326 326 ALA N N 326 122.221 122.221 119.822 2.399 25667 1142 1 6 . 1 1 326 326 ALA HA H 326 4.331 4.331 4.062 0.269 25667 1143 1 6 . 1 1 326 326 ALA C C 326 177.381 177.381 179.294 -1.913 25667 1144 1 6 . 1 1 326 326 ALA CA C 326 52.677 52.677 54.680 -2.003 25667 1145 1 6 . 1 1 326 326 ALA CB C 326 18.722 18.722 18.293 0.429 25667 1146 1 6 . 1 1 326 326 ALA H H 326 8.078 8.078 8.283 -0.205 25667 1147 1 6 . 1 1 327 327 GLN N N 327 118.366 118.366 118.673 -0.307 25667 1148 1 6 . 1 1 327 327 GLN HA H 327 4.183 4.183 4.145 0.038 25667 1149 1 6 . 1 1 327 327 GLN C C 327 172.918 172.918 177.845 -4.927 25667 1150 1 6 . 1 1 327 327 GLN CA C 327 56.701 56.701 58.453 -1.752 25667 1151 1 6 . 1 1 327 327 GLN CB C 327 28.906 28.906 28.502 0.404 25667 1152 1 6 . 1 1 327 327 GLN H H 327 8.099 8.099 7.454 0.645 25667 1153 1 6 . 1 1 328 328 ALA N N 328 123.574 123.574 120.819 2.755 25667 1154 1 6 . 1 1 328 328 ALA HA H 328 4.338 4.338 4.100 0.238 25667 1155 1 6 . 1 1 328 328 ALA C C 328 176.126 176.126 178.667 -2.541 25667 1156 1 6 . 1 1 328 328 ALA CA C 328 53.212 53.212 53.881 -0.669 25667 1157 1 6 . 1 1 328 328 ALA CB C 328 18.520 18.520 18.643 -0.123 25667 1158 1 6 . 1 1 328 328 ALA H H 328 8.107 8.107 7.742 0.365 25667 1159 1 6 . 1 1 329 329 ALA N N 329 121.502 121.502 121.031 0.471 25667 1160 1 6 . 1 1 329 329 ALA HA H 329 4.199 4.199 4.121 0.078 25667 1161 1 6 . 1 1 329 329 ALA CA C 329 52.809 52.809 54.198 -1.389 25667 1162 1 6 . 1 1 329 329 ALA CB C 329 18.545 18.545 18.266 0.279 25667 1163 1 6 . 1 1 329 329 ALA H H 329 7.985 7.985 7.673 0.312 25667 1164 1 6 . 1 1 330 330 LEU N N 330 120.175 120.175 117.557 2.618 25667 1165 1 6 . 1 1 330 330 LEU HA H 330 4.258 4.258 4.101 0.157 25667 1166 1 6 . 1 1 330 330 LEU C C 330 178.078 178.078 176.925 1.153 25667 1167 1 6 . 1 1 330 330 LEU CA C 330 56.445 56.445 55.203 1.242 25667 1168 1 6 . 1 1 330 330 LEU CB C 330 41.810 41.810 42.278 -0.468 25667 1169 1 6 . 1 1 330 330 LEU H H 330 7.900 7.900 7.455 0.445 25667 1170 1 6 . 1 1 331 331 GLN N N 331 120.194 120.194 118.073 2.121 25667 1171 1 6 . 1 1 331 331 GLN HA H 331 4.071 4.071 4.026 0.045 25667 1172 1 6 . 1 1 331 331 GLN CA C 331 56.131 56.131 56.142 -0.011 25667 1173 1 6 . 1 1 331 331 GLN CB C 331 29.094 29.094 28.213 0.881 25667 1174 1 6 . 1 1 331 331 GLN H H 331 8.310 8.310 7.571 0.739 25667 1175 1 6 . 1 1 332 332 SER N N 332 115.944 115.944 116.159 -0.215 25667 1176 1 6 . 1 1 332 332 SER HA H 332 4.421 4.421 4.538 -0.117 25667 1177 1 6 . 1 1 332 332 SER H H 332 8.245 8.245 8.472 -0.227 25667 1178 1 6 . 1 1 333 333 SER N N 333 117.327 117.327 117.285 0.042 25667 1179 1 6 . 1 1 333 333 SER C C 333 174.661 174.661 173.462 1.199 25667 1180 1 6 . 1 1 333 333 SER H H 333 8.143 8.143 7.678 0.465 25667 1181 1 6 . 1 1 334 334 TRP N N 334 123.002 123.002 125.958 -2.956 25667 1182 1 6 . 1 1 334 334 TRP HA H 334 4.646 4.646 5.099 -0.453 25667 1183 1 6 . 1 1 334 334 TRP C C 334 176.928 176.928 174.742 2.186 25667 1184 1 6 . 1 1 334 334 TRP CA C 334 56.099 56.099 55.553 0.546 25667 1185 1 6 . 1 1 334 334 TRP CB C 334 31.916 31.916 30.152 1.764 25667 1186 1 6 . 1 1 334 334 TRP H H 334 8.092 8.092 8.235 -0.143 25667 1187 1 6 . 1 1 335 335 ASP N N 335 119.016 119.016 120.715 -1.699 25667 1188 1 6 . 1 1 335 335 ASP HA H 335 4.416 4.416 4.555 -0.139 25667 1189 1 6 . 1 1 335 335 ASP C C 335 176.300 176.300 176.319 -0.019 25667 1190 1 6 . 1 1 335 335 ASP CA C 335 54.354 54.354 54.935 -0.581 25667 1191 1 6 . 1 1 335 335 ASP CB C 335 40.572 40.572 42.732 -2.160 25667 1192 1 6 . 1 1 335 335 ASP H H 335 8.205 8.205 8.861 -0.656 25667 1193 1 6 . 1 1 336 336 MET N N 336 120.419 120.419 116.485 3.934 25667 1194 1 6 . 1 1 336 336 MET HA H 336 3.988 3.988 4.836 -0.848 25667 1195 1 6 . 1 1 336 336 MET C C 336 175.707 175.707 175.646 0.061 25667 1196 1 6 . 1 1 336 336 MET CA C 336 55.159 55.159 56.383 -1.224 25667 1197 1 6 . 1 1 336 336 MET CB C 336 31.874 31.874 32.996 -1.122 25667 1198 1 6 . 1 1 336 336 MET H H 336 8.063 8.063 8.020 0.043 25667 1199 1 6 . 1 1 337 337 MET N N 337 119.862 119.862 119.154 0.708 25667 1200 1 6 . 1 1 337 337 MET HA H 337 4.678 4.678 4.478 0.200 25667 1201 1 6 . 1 1 337 337 MET C C 337 177.451 177.451 176.623 0.828 25667 1202 1 6 . 1 1 337 337 MET CA C 337 56.106 56.106 55.555 0.551 25667 1203 1 6 . 1 1 337 337 MET CB C 337 32.013 32.013 31.802 0.211 25667 1204 1 6 . 1 1 337 337 MET H H 337 8.346 8.346 8.275 0.071 25667 1205 1 6 . 1 1 338 338 GLY N N 338 109.026 109.026 105.471 3.555 25667 1206 1 6 . 1 1 338 338 GLY C C 338 174.731 174.731 175.134 -0.403 25667 1207 1 6 . 1 1 338 338 GLY CA C 338 45.575 45.575 45.082 0.493 25667 1208 1 6 . 1 1 338 338 GLY H H 338 8.254 8.254 8.500 -0.246 25667 1209 1 6 . 1 1 339 339 MET N N 339 120.118 120.118 118.672 1.446 25667 1210 1 6 . 1 1 339 339 MET HA H 339 4.410 4.410 3.913 0.497 25667 1211 1 6 . 1 1 339 339 MET C C 339 176.753 176.753 177.896 -1.143 25667 1212 1 6 . 1 1 339 339 MET CA C 339 56.247 56.247 58.695 -2.448 25667 1213 1 6 . 1 1 339 339 MET CB C 339 31.844 31.844 32.490 -0.646 25667 1214 1 6 . 1 1 339 339 MET H H 339 8.068 8.068 7.970 0.098 25667 1215 1 6 . 1 1 340 340 LEU N N 340 122.097 122.097 119.694 2.403 25667 1216 1 6 . 1 1 340 340 LEU HA H 340 4.323 4.323 4.086 0.237 25667 1217 1 6 . 1 1 340 340 LEU CA C 340 55.336 55.336 57.554 -2.218 25667 1218 1 6 . 1 1 340 340 LEU CB C 340 41.950 41.950 41.249 0.701 25667 1219 1 6 . 1 1 340 340 LEU H H 340 8.177 8.177 7.914 0.263 25667 1220 1 6 . 1 1 341 341 ALA N N 341 123.844 123.844 118.450 5.394 25667 1221 1 6 . 1 1 341 341 ALA HA H 341 4.334 4.334 4.112 0.222 25667 1222 1 6 . 1 1 341 341 ALA C C 341 178.324 178.324 179.060 -0.736 25667 1223 1 6 . 1 1 341 341 ALA CA C 341 53.129 53.129 54.730 -1.601 25667 1224 1 6 . 1 1 341 341 ALA CB C 341 18.659 18.659 17.925 0.734 25667 1225 1 6 . 1 1 341 341 ALA H H 341 8.180 8.180 7.394 0.786 25667 1226 1 6 . 1 1 342 342 SER N N 342 113.799 113.799 113.638 0.161 25667 1227 1 6 . 1 1 342 342 SER HA H 342 4.395 4.395 4.333 0.062 25667 1228 1 6 . 1 1 342 342 SER C C 342 174.975 174.975 176.664 -1.689 25667 1229 1 6 . 1 1 342 342 SER CA C 342 58.511 58.511 60.808 -2.297 25667 1230 1 6 . 1 1 342 342 SER CB C 342 63.372 63.372 63.632 -0.260 25667 1231 1 6 . 1 1 342 342 SER H H 342 8.096 8.096 7.423 0.673 25667 1232 1 6 . 1 1 343 343 GLN N N 343 121.045 121.045 119.821 1.224 25667 1233 1 6 . 1 1 343 343 GLN HA H 343 4.515 4.515 4.267 0.248 25667 1234 1 6 . 1 1 343 343 GLN C C 343 176.230 176.230 177.150 -0.920 25667 1235 1 6 . 1 1 343 343 GLN CA C 343 55.882 55.882 57.561 -1.679 25667 1236 1 6 . 1 1 343 343 GLN CB C 343 29.175 29.175 27.796 1.379 25667 1237 1 6 . 1 1 343 343 GLN H H 343 8.219 8.219 8.530 -0.311 25667 1238 1 6 . 1 1 344 344 GLN N N 344 120.302 120.302 120.057 0.245 25667 1239 1 6 . 1 1 344 344 GLN HA H 344 4.398 4.398 4.148 0.250 25667 1240 1 6 . 1 1 344 344 GLN CA C 344 55.771 55.771 56.329 -0.558 25667 1241 1 6 . 1 1 344 344 GLN CB C 344 29.284 29.284 29.413 -0.129 25667 1242 1 6 . 1 1 344 344 GLN H H 344 8.238 8.238 7.735 0.503 25667 1243 1 6 . 1 1 345 345 ASN N N 345 119.326 119.326 116.623 2.703 25667 1244 1 6 . 1 1 345 345 ASN HA H 345 4.694 4.694 4.310 0.384 25667 1245 1 6 . 1 1 345 345 ASN C C 345 175.289 175.289 175.509 -0.220 25667 1246 1 6 . 1 1 345 345 ASN CA C 345 53.413 53.413 54.772 -1.359 25667 1247 1 6 . 1 1 345 345 ASN CB C 345 38.461 38.461 37.125 1.336 25667 1248 1 6 . 1 1 345 345 ASN H H 345 8.408 8.408 7.948 0.460 25667 1249 1 6 . 1 1 346 346 GLN N N 346 120.640 120.640 114.550 6.090 25667 1250 1 6 . 1 1 346 346 GLN HA H 346 4.057 4.057 3.902 0.155 25667 1251 1 6 . 1 1 346 346 GLN C C 346 176.009 176.009 176.018 -0.009 25667 1252 1 6 . 1 1 346 346 GLN CA C 346 55.671 55.671 58.130 -2.458 25667 1253 1 6 . 1 1 346 346 GLN CB C 346 29.049 29.049 27.316 1.733 25667 1254 1 6 . 1 1 346 346 GLN H H 346 8.366 8.366 8.783 -0.417 25667 1255 1 6 . 1 1 347 347 SER N N 347 116.808 116.808 115.750 1.058 25667 1256 1 6 . 1 1 347 347 SER HA H 347 4.506 4.506 4.083 0.423 25667 1257 1 6 . 1 1 347 347 SER C C 347 174.595 174.595 173.632 0.963 25667 1258 1 6 . 1 1 347 347 SER CA C 347 58.548 58.548 59.051 -0.503 25667 1259 1 6 . 1 1 347 347 SER CB C 347 64.048 64.048 62.543 1.505 25667 1260 1 6 . 1 1 347 347 SER H H 347 8.364 8.364 8.428 -0.064 25667 1261 1 6 . 1 1 348 348 GLY N N 348 110.627 110.627 108.910 1.717 25667 1262 1 6 . 1 1 348 348 GLY H H 348 8.221 8.221 7.861 0.360 25667 1263 1 6 . 1 1 349 349 PRO C C 349 177.497 177.497 176.313 1.184 25667 1264 1 6 . 1 1 349 349 PRO CA C 349 63.262 63.262 63.852 -0.590 25667 1265 1 6 . 1 1 349 349 PRO CB C 349 31.949 31.949 32.330 -0.381 25667 1266 1 6 . 1 1 350 350 SER N N 350 115.992 115.992 114.351 1.641 25667 1267 1 6 . 1 1 350 350 SER C C 350 175.193 175.193 174.832 0.361 25667 1268 1 6 . 1 1 350 350 SER CA C 350 58.568 58.568 57.956 0.612 25667 1269 1 6 . 1 1 350 350 SER CB C 350 63.900 63.900 63.830 0.070 25667 1270 1 6 . 1 1 350 350 SER H H 350 8.474 8.474 7.902 0.572 25667 1271 1 6 . 1 1 351 351 GLY N N 351 110.440 110.440 109.196 1.244 25667 1272 1 6 . 1 1 351 351 GLY H H 351 8.352 8.352 8.436 -0.084 25667 1273 1 6 . 1 1 353 353 ASN CA C 353 53.555 53.555 53.315 0.240 25667 1274 1 6 . 1 1 353 353 ASN CB C 353 38.461 38.461 38.471 -0.011 25667 1275 1 6 . 1 1 354 354 GLN N N 354 120.218 120.218 125.159 -4.941 25667 1276 1 6 . 1 1 354 354 GLN HA H 354 4.307 4.307 4.296 0.011 25667 1277 1 6 . 1 1 354 354 GLN C C 354 175.916 175.916 176.000 -0.084 25667 1278 1 6 . 1 1 354 354 GLN CA C 354 55.948 55.948 57.514 -1.566 25667 1279 1 6 . 1 1 354 354 GLN CB C 354 29.163 29.163 29.880 -0.717 25667 1280 1 6 . 1 1 354 354 GLN H H 354 8.388 8.388 9.362 -0.974 25667 1281 1 6 . 1 1 355 355 ASN N N 355 119.285 119.285 114.699 4.586 25667 1282 1 6 . 1 1 355 355 ASN HA H 355 4.697 4.697 4.706 -0.009 25667 1283 1 6 . 1 1 355 355 ASN C C 355 175.114 175.114 174.559 0.555 25667 1284 1 6 . 1 1 355 355 ASN CA C 355 53.239 53.239 52.923 0.315 25667 1285 1 6 . 1 1 355 355 ASN CB C 355 38.581 38.581 38.969 -0.388 25667 1286 1 6 . 1 1 355 355 ASN H H 355 8.457 8.457 8.367 0.090 25667 1287 1 6 . 1 1 356 356 GLN N N 356 119.185 119.185 120.195 -1.010 25667 1288 1 6 . 1 1 356 356 GLN HA H 356 4.776 4.776 4.385 0.391 25667 1289 1 6 . 1 1 356 356 GLN C C 356 176.405 176.405 175.820 0.585 25667 1290 1 6 . 1 1 356 356 GLN CA C 356 55.865 55.865 55.853 0.012 25667 1291 1 6 . 1 1 356 356 GLN CB C 356 29.239 29.239 27.012 2.227 25667 1292 1 6 . 1 1 356 356 GLN H H 356 8.469 8.469 8.033 0.436 25667 1293 1 6 . 1 1 357 357 GLY N N 357 109.452 109.452 113.457 -4.005 25667 1294 1 6 . 1 1 357 357 GLY C C 357 173.923 173.923 174.038 -0.115 25667 1295 1 6 . 1 1 357 357 GLY CA C 357 45.488 45.488 45.523 -0.035 25667 1296 1 6 . 1 1 357 357 GLY H H 357 8.424 8.424 8.363 0.061 25667 1297 1 6 . 1 1 358 358 ASN N N 358 118.477 118.477 123.574 -5.097 25667 1298 1 6 . 1 1 358 358 ASN HA H 358 4.736 4.736 4.549 0.187 25667 1299 1 6 . 1 1 358 358 ASN C C 358 175.184 175.184 175.520 -0.336 25667 1300 1 6 . 1 1 358 358 ASN CA C 358 53.406 53.406 52.899 0.507 25667 1301 1 6 . 1 1 358 358 ASN CB C 358 38.470 38.470 37.666 0.804 25667 1302 1 6 . 1 1 358 358 ASN H H 358 8.295 8.295 8.564 -0.269 25667 1303 1 6 . 1 1 359 359 MET N N 359 120.987 120.987 116.583 4.404 25667 1304 1 6 . 1 1 359 359 MET HA H 359 4.482 4.482 3.960 0.522 25667 1305 1 6 . 1 1 359 359 MET C C 359 175.289 175.289 176.169 -0.880 25667 1306 1 6 . 1 1 359 359 MET CA C 359 55.358 55.358 58.253 -2.895 25667 1307 1 6 . 1 1 359 359 MET CB C 359 33.212 33.212 31.329 1.883 25667 1308 1 6 . 1 1 359 359 MET H H 359 8.349 8.349 8.691 -0.342 25667 1309 1 7 . 1 1 313 313 PHE C C 313 175.149 175.149 175.334 -0.185 25667 1310 1 7 . 1 1 314 314 GLY N N 314 110.148 110.148 109.021 1.127 25667 1311 1 7 . 1 1 314 314 GLY C C 314 173.918 173.918 173.373 0.545 25667 1312 1 7 . 1 1 314 314 GLY CA C 314 45.059 45.059 45.198 -0.139 25667 1313 1 7 . 1 1 314 314 GLY H H 314 8.338 8.338 8.434 -0.096 25667 1314 1 7 . 1 1 315 315 ALA N N 315 123.626 123.626 125.385 -1.759 25667 1315 1 7 . 1 1 315 315 ALA HA H 315 4.251 4.251 4.273 -0.022 25667 1316 1 7 . 1 1 315 315 ALA H H 315 8.032 8.032 8.559 -0.527 25667 1317 1 7 . 1 1 316 316 PHE N N 316 117.829 117.829 114.192 3.637 25667 1318 1 7 . 1 1 316 316 PHE HA H 316 4.463 4.463 4.725 -0.262 25667 1319 1 7 . 1 1 316 316 PHE C C 316 175.568 175.568 175.280 0.288 25667 1320 1 7 . 1 1 316 316 PHE H H 316 8.286 8.286 7.652 0.634 25667 1321 1 7 . 1 1 317 317 SER N N 317 116.896 116.896 114.480 2.416 25667 1322 1 7 . 1 1 317 317 SER HA H 317 4.441 4.441 4.587 -0.146 25667 1323 1 7 . 1 1 317 317 SER C C 317 174.661 174.661 173.277 1.384 25667 1324 1 7 . 1 1 317 317 SER CB C 317 63.893 63.893 64.806 -0.913 25667 1325 1 7 . 1 1 317 317 SER H H 317 8.056 8.056 7.118 0.938 25667 1326 1 7 . 1 1 318 318 ILE N N 318 121.668 121.668 118.187 3.481 25667 1327 1 7 . 1 1 318 318 ILE HA H 318 4.262 4.262 4.385 -0.123 25667 1328 1 7 . 1 1 318 318 ILE C C 318 175.540 175.540 175.322 0.218 25667 1329 1 7 . 1 1 318 318 ILE CA C 318 61.601 61.601 60.813 0.788 25667 1330 1 7 . 1 1 318 318 ILE CB C 318 39.035 39.035 37.673 1.362 25667 1331 1 7 . 1 1 318 318 ILE H H 318 8.047 8.047 8.218 -0.171 25667 1332 1 7 . 1 1 319 319 ASN N N 319 123.549 123.549 121.930 1.619 25667 1333 1 7 . 1 1 319 319 ASN HA H 319 4.741 4.741 4.920 -0.179 25667 1334 1 7 . 1 1 319 319 ASN H H 319 8.419 8.419 7.551 0.868 25667 1335 1 7 . 1 1 320 320 PRO C C 320 174.975 174.975 176.559 -1.584 25667 1336 1 7 . 1 1 321 321 ALA N N 321 121.415 121.415 126.865 -5.450 25667 1337 1 7 . 1 1 321 321 ALA HA H 321 4.182 4.182 4.163 0.019 25667 1338 1 7 . 1 1 321 321 ALA CA C 321 53.258 53.258 54.766 -1.508 25667 1339 1 7 . 1 1 321 321 ALA CB C 321 18.398 18.398 18.825 -0.427 25667 1340 1 7 . 1 1 321 321 ALA H H 321 8.170 8.170 8.679 -0.509 25667 1341 1 7 . 1 1 322 322 MET N N 322 118.223 118.223 117.818 0.405 25667 1342 1 7 . 1 1 322 322 MET HA H 322 4.414 4.414 4.081 0.333 25667 1343 1 7 . 1 1 322 322 MET C C 322 176.718 176.718 178.403 -1.685 25667 1344 1 7 . 1 1 322 322 MET CA C 322 56.000 56.000 58.809 -2.809 25667 1345 1 7 . 1 1 322 322 MET CB C 322 32.106 32.106 32.123 -0.017 25667 1346 1 7 . 1 1 322 322 MET H H 322 8.001 8.001 8.384 -0.383 25667 1347 1 7 . 1 1 323 323 MET N N 323 120.466 120.466 117.537 2.929 25667 1348 1 7 . 1 1 323 323 MET HA H 323 4.339 4.339 4.276 0.063 25667 1349 1 7 . 1 1 323 323 MET C C 323 177.799 177.799 178.494 -0.695 25667 1350 1 7 . 1 1 323 323 MET CA C 323 56.191 56.191 56.841 -0.650 25667 1351 1 7 . 1 1 323 323 MET CB C 323 31.874 31.874 31.004 0.870 25667 1352 1 7 . 1 1 323 323 MET H H 323 8.011 8.011 7.685 0.326 25667 1353 1 7 . 1 1 324 324 ALA N N 324 123.816 123.816 122.014 1.802 25667 1354 1 7 . 1 1 324 324 ALA HA H 324 4.257 4.257 4.124 0.133 25667 1355 1 7 . 1 1 324 324 ALA H H 324 8.183 8.183 7.562 0.621 25667 1356 1 7 . 1 1 325 325 ALA C C 325 174.696 174.696 179.513 -4.817 25667 1357 1 7 . 1 1 325 325 ALA CA C 325 53.257 53.257 54.806 -1.549 25667 1358 1 7 . 1 1 325 325 ALA CB C 325 18.466 18.466 18.413 0.053 25667 1359 1 7 . 1 1 326 326 ALA N N 326 122.221 122.221 119.916 2.305 25667 1360 1 7 . 1 1 326 326 ALA HA H 326 4.331 4.331 4.066 0.265 25667 1361 1 7 . 1 1 326 326 ALA C C 326 177.381 177.381 179.494 -2.113 25667 1362 1 7 . 1 1 326 326 ALA CA C 326 52.677 52.677 54.413 -1.736 25667 1363 1 7 . 1 1 326 326 ALA CB C 326 18.722 18.722 18.223 0.499 25667 1364 1 7 . 1 1 326 326 ALA H H 326 8.078 8.078 8.024 0.054 25667 1365 1 7 . 1 1 327 327 GLN N N 327 118.366 118.366 119.220 -0.854 25667 1366 1 7 . 1 1 327 327 GLN HA H 327 4.183 4.183 4.113 0.070 25667 1367 1 7 . 1 1 327 327 GLN C C 327 172.918 172.918 177.976 -5.058 25667 1368 1 7 . 1 1 327 327 GLN CA C 327 56.701 56.701 58.428 -1.728 25667 1369 1 7 . 1 1 327 327 GLN CB C 327 28.906 28.906 28.782 0.124 25667 1370 1 7 . 1 1 327 327 GLN H H 327 8.099 8.099 7.818 0.281 25667 1371 1 7 . 1 1 328 328 ALA N N 328 123.574 123.574 121.307 2.267 25667 1372 1 7 . 1 1 328 328 ALA HA H 328 4.338 4.338 4.137 0.201 25667 1373 1 7 . 1 1 328 328 ALA C C 328 176.126 176.126 178.785 -2.659 25667 1374 1 7 . 1 1 328 328 ALA CA C 328 53.212 53.212 54.113 -0.901 25667 1375 1 7 . 1 1 328 328 ALA CB C 328 18.520 18.520 18.523 -0.002 25667 1376 1 7 . 1 1 328 328 ALA H H 328 8.107 8.107 8.003 0.104 25667 1377 1 7 . 1 1 329 329 ALA N N 329 121.502 121.502 122.211 -0.709 25667 1378 1 7 . 1 1 329 329 ALA HA H 329 4.199 4.199 4.116 0.083 25667 1379 1 7 . 1 1 329 329 ALA CA C 329 52.809 52.809 54.465 -1.656 25667 1380 1 7 . 1 1 329 329 ALA CB C 329 18.545 18.545 18.463 0.082 25667 1381 1 7 . 1 1 329 329 ALA H H 329 7.985 7.985 7.515 0.470 25667 1382 1 7 . 1 1 330 330 LEU N N 330 120.175 120.175 117.791 2.384 25667 1383 1 7 . 1 1 330 330 LEU HA H 330 4.258 4.258 4.170 0.088 25667 1384 1 7 . 1 1 330 330 LEU C C 330 178.078 178.078 177.083 0.995 25667 1385 1 7 . 1 1 330 330 LEU CA C 330 56.445 56.445 56.227 0.218 25667 1386 1 7 . 1 1 330 330 LEU CB C 330 41.810 41.810 42.245 -0.435 25667 1387 1 7 . 1 1 330 330 LEU H H 330 7.900 7.900 7.450 0.450 25667 1388 1 7 . 1 1 331 331 GLN N N 331 120.194 120.194 116.352 3.842 25667 1389 1 7 . 1 1 331 331 GLN HA H 331 4.071 4.071 4.352 -0.281 25667 1390 1 7 . 1 1 331 331 GLN CA C 331 56.131 56.131 54.914 1.217 25667 1391 1 7 . 1 1 331 331 GLN CB C 331 29.094 29.094 30.111 -1.017 25667 1392 1 7 . 1 1 331 331 GLN H H 331 8.310 8.310 7.248 1.062 25667 1393 1 7 . 1 1 332 332 SER N N 332 115.944 115.944 112.180 3.764 25667 1394 1 7 . 1 1 332 332 SER HA H 332 4.421 4.421 3.708 0.713 25667 1395 1 7 . 1 1 332 332 SER H H 332 8.245 8.245 8.470 -0.225 25667 1396 1 7 . 1 1 333 333 SER N N 333 117.327 117.327 117.733 -0.406 25667 1397 1 7 . 1 1 333 333 SER C C 333 174.661 174.661 173.662 0.999 25667 1398 1 7 . 1 1 333 333 SER H H 333 8.143 8.143 7.782 0.361 25667 1399 1 7 . 1 1 334 334 TRP N N 334 123.002 123.002 124.935 -1.933 25667 1400 1 7 . 1 1 334 334 TRP HA H 334 4.646 4.646 4.735 -0.089 25667 1401 1 7 . 1 1 334 334 TRP C C 334 176.928 176.928 176.070 0.858 25667 1402 1 7 . 1 1 334 334 TRP CA C 334 56.099 56.099 57.824 -1.725 25667 1403 1 7 . 1 1 334 334 TRP CB C 334 31.916 31.916 30.632 1.284 25667 1404 1 7 . 1 1 334 334 TRP H H 334 8.092 8.092 8.642 -0.550 25667 1405 1 7 . 1 1 335 335 ASP N N 335 119.016 119.016 120.474 -1.458 25667 1406 1 7 . 1 1 335 335 ASP HA H 335 4.416 4.416 4.567 -0.151 25667 1407 1 7 . 1 1 335 335 ASP C C 335 176.300 176.300 175.377 0.923 25667 1408 1 7 . 1 1 335 335 ASP CA C 335 54.354 54.354 55.031 -0.677 25667 1409 1 7 . 1 1 335 335 ASP CB C 335 40.572 40.572 41.282 -0.710 25667 1410 1 7 . 1 1 335 335 ASP H H 335 8.205 8.205 8.630 -0.425 25667 1411 1 7 . 1 1 336 336 MET N N 336 120.419 120.419 117.643 2.776 25667 1412 1 7 . 1 1 336 336 MET HA H 336 3.988 3.988 4.555 -0.567 25667 1413 1 7 . 1 1 336 336 MET C C 336 175.707 175.707 178.230 -2.523 25667 1414 1 7 . 1 1 336 336 MET CA C 336 55.159 55.159 57.328 -2.170 25667 1415 1 7 . 1 1 336 336 MET CB C 336 31.874 31.874 33.960 -2.086 25667 1416 1 7 . 1 1 336 336 MET H H 336 8.063 8.063 8.291 -0.228 25667 1417 1 7 . 1 1 337 337 MET N N 337 119.862 119.862 118.005 1.857 25667 1418 1 7 . 1 1 337 337 MET HA H 337 4.678 4.678 4.447 0.231 25667 1419 1 7 . 1 1 337 337 MET C C 337 177.451 177.451 178.763 -1.312 25667 1420 1 7 . 1 1 337 337 MET CA C 337 56.106 56.106 56.859 -0.753 25667 1421 1 7 . 1 1 337 337 MET CB C 337 32.013 32.013 31.668 0.345 25667 1422 1 7 . 1 1 337 337 MET H H 337 8.346 8.346 8.490 -0.144 25667 1423 1 7 . 1 1 338 338 GLY N N 338 109.026 109.026 106.080 2.946 25667 1424 1 7 . 1 1 338 338 GLY C C 338 174.731 174.731 175.585 -0.854 25667 1425 1 7 . 1 1 338 338 GLY CA C 338 45.575 45.575 45.477 0.098 25667 1426 1 7 . 1 1 338 338 GLY H H 338 8.254 8.254 8.656 -0.402 25667 1427 1 7 . 1 1 339 339 MET N N 339 120.118 120.118 121.086 -0.968 25667 1428 1 7 . 1 1 339 339 MET HA H 339 4.410 4.410 4.204 0.206 25667 1429 1 7 . 1 1 339 339 MET C C 339 176.753 176.753 177.227 -0.474 25667 1430 1 7 . 1 1 339 339 MET CA C 339 56.247 56.247 58.539 -2.292 25667 1431 1 7 . 1 1 339 339 MET CB C 339 31.844 31.844 32.687 -0.843 25667 1432 1 7 . 1 1 339 339 MET H H 339 8.068 8.068 7.624 0.444 25667 1433 1 7 . 1 1 340 340 LEU N N 340 122.097 122.097 118.719 3.378 25667 1434 1 7 . 1 1 340 340 LEU HA H 340 4.323 4.323 4.280 0.043 25667 1435 1 7 . 1 1 340 340 LEU CA C 340 55.336 55.336 57.166 -1.830 25667 1436 1 7 . 1 1 340 340 LEU CB C 340 41.950 41.950 40.285 1.665 25667 1437 1 7 . 1 1 340 340 LEU H H 340 8.177 8.177 7.786 0.391 25667 1438 1 7 . 1 1 341 341 ALA N N 341 123.844 123.844 119.868 3.976 25667 1439 1 7 . 1 1 341 341 ALA HA H 341 4.334 4.334 4.142 0.192 25667 1440 1 7 . 1 1 341 341 ALA C C 341 178.324 178.324 178.213 0.111 25667 1441 1 7 . 1 1 341 341 ALA CA C 341 53.129 53.129 53.821 -0.692 25667 1442 1 7 . 1 1 341 341 ALA CB C 341 18.659 18.659 18.506 0.153 25667 1443 1 7 . 1 1 341 341 ALA H H 341 8.180 8.180 7.607 0.573 25667 1444 1 7 . 1 1 342 342 SER N N 342 113.799 113.799 114.567 -0.768 25667 1445 1 7 . 1 1 342 342 SER HA H 342 4.395 4.395 4.312 0.083 25667 1446 1 7 . 1 1 342 342 SER C C 342 174.975 174.975 176.466 -1.491 25667 1447 1 7 . 1 1 342 342 SER CA C 342 58.511 58.511 61.103 -2.592 25667 1448 1 7 . 1 1 342 342 SER CB C 342 63.372 63.372 64.133 -0.761 25667 1449 1 7 . 1 1 342 342 SER H H 342 8.096 8.096 7.799 0.297 25667 1450 1 7 . 1 1 343 343 GLN N N 343 121.045 121.045 120.197 0.848 25667 1451 1 7 . 1 1 343 343 GLN HA H 343 4.515 4.515 4.614 -0.099 25667 1452 1 7 . 1 1 343 343 GLN C C 343 176.230 176.230 177.408 -1.178 25667 1453 1 7 . 1 1 343 343 GLN CA C 343 55.882 55.882 56.928 -1.046 25667 1454 1 7 . 1 1 343 343 GLN CB C 343 29.175 29.175 27.820 1.355 25667 1455 1 7 . 1 1 343 343 GLN H H 343 8.219 8.219 8.598 -0.379 25667 1456 1 7 . 1 1 344 344 GLN N N 344 120.302 120.302 118.061 2.241 25667 1457 1 7 . 1 1 344 344 GLN HA H 344 4.398 4.398 4.147 0.251 25667 1458 1 7 . 1 1 344 344 GLN CA C 344 55.771 55.771 57.754 -1.983 25667 1459 1 7 . 1 1 344 344 GLN CB C 344 29.284 29.284 28.390 0.894 25667 1460 1 7 . 1 1 344 344 GLN H H 344 8.238 8.238 7.887 0.351 25667 1461 1 7 . 1 1 345 345 ASN N N 345 119.326 119.326 117.739 1.587 25667 1462 1 7 . 1 1 345 345 ASN HA H 345 4.694 4.694 4.764 -0.070 25667 1463 1 7 . 1 1 345 345 ASN C C 345 175.289 175.289 175.194 0.095 25667 1464 1 7 . 1 1 345 345 ASN CA C 345 53.413 53.413 54.799 -1.386 25667 1465 1 7 . 1 1 345 345 ASN CB C 345 38.461 38.461 39.909 -1.448 25667 1466 1 7 . 1 1 345 345 ASN H H 345 8.408 8.408 7.840 0.568 25667 1467 1 7 . 1 1 346 346 GLN N N 346 120.640 120.640 120.166 0.474 25667 1468 1 7 . 1 1 346 346 GLN HA H 346 4.057 4.057 4.584 -0.527 25667 1469 1 7 . 1 1 346 346 GLN C C 346 176.009 176.009 174.684 1.325 25667 1470 1 7 . 1 1 346 346 GLN CA C 346 55.671 55.671 54.813 0.858 25667 1471 1 7 . 1 1 346 346 GLN CB C 346 29.049 29.049 30.823 -1.774 25667 1472 1 7 . 1 1 346 346 GLN H H 346 8.366 8.366 7.694 0.672 25667 1473 1 7 . 1 1 347 347 SER N N 347 116.808 116.808 121.490 -4.682 25667 1474 1 7 . 1 1 347 347 SER HA H 347 4.506 4.506 4.421 0.085 25667 1475 1 7 . 1 1 347 347 SER C C 347 174.595 174.595 174.829 -0.234 25667 1476 1 7 . 1 1 347 347 SER CA C 347 58.548 58.548 58.689 -0.141 25667 1477 1 7 . 1 1 347 347 SER CB C 347 64.048 64.048 62.039 2.009 25667 1478 1 7 . 1 1 347 347 SER H H 347 8.364 8.364 9.008 -0.644 25667 1479 1 7 . 1 1 348 348 GLY N N 348 110.627 110.627 116.017 -5.390 25667 1480 1 7 . 1 1 348 348 GLY H H 348 8.221 8.221 7.836 0.385 25667 1481 1 7 . 1 1 349 349 PRO C C 349 177.497 177.497 177.265 0.232 25667 1482 1 7 . 1 1 349 349 PRO CA C 349 63.262 63.262 63.204 0.058 25667 1483 1 7 . 1 1 349 349 PRO CB C 349 31.949 31.949 32.100 -0.151 25667 1484 1 7 . 1 1 350 350 SER N N 350 115.992 115.992 115.405 0.587 25667 1485 1 7 . 1 1 350 350 SER C C 350 175.193 175.193 175.266 -0.073 25667 1486 1 7 . 1 1 350 350 SER CA C 350 58.568 58.568 58.552 0.016 25667 1487 1 7 . 1 1 350 350 SER CB C 350 63.900 63.900 61.308 2.592 25667 1488 1 7 . 1 1 350 350 SER H H 350 8.474 8.474 8.284 0.190 25667 1489 1 7 . 1 1 351 351 GLY N N 351 110.440 110.440 109.800 0.640 25667 1490 1 7 . 1 1 351 351 GLY H H 351 8.352 8.352 8.115 0.237 25667 1491 1 7 . 1 1 353 353 ASN CA C 353 53.555 53.555 54.665 -1.110 25667 1492 1 7 . 1 1 353 353 ASN CB C 353 38.461 38.461 38.818 -0.357 25667 1493 1 7 . 1 1 354 354 GLN N N 354 120.218 120.218 117.924 2.294 25667 1494 1 7 . 1 1 354 354 GLN HA H 354 4.307 4.307 4.324 -0.017 25667 1495 1 7 . 1 1 354 354 GLN C C 354 175.916 175.916 175.621 0.295 25667 1496 1 7 . 1 1 354 354 GLN CA C 354 55.948 55.948 54.773 1.175 25667 1497 1 7 . 1 1 354 354 GLN CB C 354 29.163 29.163 27.399 1.764 25667 1498 1 7 . 1 1 354 354 GLN H H 354 8.388 8.388 8.462 -0.074 25667 1499 1 7 . 1 1 355 355 ASN N N 355 119.285 119.285 119.468 -0.183 25667 1500 1 7 . 1 1 355 355 ASN HA H 355 4.697 4.697 4.586 0.111 25667 1501 1 7 . 1 1 355 355 ASN C C 355 175.114 175.114 175.639 -0.525 25667 1502 1 7 . 1 1 355 355 ASN CA C 355 53.239 53.239 55.010 -1.771 25667 1503 1 7 . 1 1 355 355 ASN CB C 355 38.581 38.581 39.321 -0.740 25667 1504 1 7 . 1 1 355 355 ASN H H 355 8.457 8.457 7.799 0.658 25667 1505 1 7 . 1 1 356 356 GLN N N 356 119.185 119.185 118.211 0.974 25667 1506 1 7 . 1 1 356 356 GLN HA H 356 4.776 4.776 4.461 0.315 25667 1507 1 7 . 1 1 356 356 GLN C C 356 176.405 176.405 175.250 1.155 25667 1508 1 7 . 1 1 356 356 GLN CA C 356 55.865 55.865 55.845 0.020 25667 1509 1 7 . 1 1 356 356 GLN CB C 356 29.239 29.239 29.313 -0.074 25667 1510 1 7 . 1 1 356 356 GLN H H 356 8.469 8.469 8.143 0.326 25667 1511 1 7 . 1 1 357 357 GLY N N 357 109.452 109.452 115.818 -6.366 25667 1512 1 7 . 1 1 357 357 GLY C C 357 173.923 173.923 173.621 0.302 25667 1513 1 7 . 1 1 357 357 GLY CA C 357 45.488 45.488 45.018 0.470 25667 1514 1 7 . 1 1 357 357 GLY H H 357 8.424 8.424 8.470 -0.046 25667 1515 1 7 . 1 1 358 358 ASN N N 358 118.477 118.477 119.232 -0.755 25667 1516 1 7 . 1 1 358 358 ASN HA H 358 4.736 4.736 4.900 -0.164 25667 1517 1 7 . 1 1 358 358 ASN C C 358 175.184 175.184 176.012 -0.828 25667 1518 1 7 . 1 1 358 358 ASN CA C 358 53.406 53.406 51.824 1.583 25667 1519 1 7 . 1 1 358 358 ASN CB C 358 38.470 38.470 39.978 -1.508 25667 1520 1 7 . 1 1 358 358 ASN H H 358 8.295 8.295 8.360 -0.065 25667 1521 1 7 . 1 1 359 359 MET N N 359 120.987 120.987 120.125 0.862 25667 1522 1 7 . 1 1 359 359 MET HA H 359 4.482 4.482 4.680 -0.198 25667 1523 1 7 . 1 1 359 359 MET C C 359 175.289 175.289 176.101 -0.812 25667 1524 1 7 . 1 1 359 359 MET CA C 359 55.358 55.358 56.137 -0.779 25667 1525 1 7 . 1 1 359 359 MET CB C 359 33.212 33.212 30.801 2.411 25667 1526 1 7 . 1 1 359 359 MET H H 359 8.349 8.349 8.621 -0.272 25667 1527 1 8 . 1 1 313 313 PHE C C 313 175.149 175.149 175.939 -0.790 25667 1528 1 8 . 1 1 314 314 GLY N N 314 110.148 110.148 106.911 3.237 25667 1529 1 8 . 1 1 314 314 GLY C C 314 173.918 173.918 172.480 1.438 25667 1530 1 8 . 1 1 314 314 GLY CA C 314 45.059 45.059 44.865 0.194 25667 1531 1 8 . 1 1 314 314 GLY H H 314 8.338 8.338 7.758 0.580 25667 1532 1 8 . 1 1 315 315 ALA N N 315 123.626 123.626 122.976 0.650 25667 1533 1 8 . 1 1 315 315 ALA HA H 315 4.251 4.251 4.875 -0.624 25667 1534 1 8 . 1 1 315 315 ALA H H 315 8.032 8.032 8.012 0.020 25667 1535 1 8 . 1 1 316 316 PHE N N 316 117.829 117.829 119.972 -2.143 25667 1536 1 8 . 1 1 316 316 PHE HA H 316 4.463 4.463 4.644 -0.181 25667 1537 1 8 . 1 1 316 316 PHE C C 316 175.568 175.568 176.613 -1.045 25667 1538 1 8 . 1 1 316 316 PHE H H 316 8.286 8.286 8.573 -0.287 25667 1539 1 8 . 1 1 317 317 SER N N 317 116.896 116.896 119.464 -2.568 25667 1540 1 8 . 1 1 317 317 SER HA H 317 4.441 4.441 4.595 -0.154 25667 1541 1 8 . 1 1 317 317 SER C C 317 174.661 174.661 173.839 0.822 25667 1542 1 8 . 1 1 317 317 SER CB C 317 63.893 63.893 62.305 1.588 25667 1543 1 8 . 1 1 317 317 SER H H 317 8.056 8.056 8.737 -0.681 25667 1544 1 8 . 1 1 318 318 ILE N N 318 121.668 121.668 123.681 -2.013 25667 1545 1 8 . 1 1 318 318 ILE HA H 318 4.262 4.262 4.384 -0.122 25667 1546 1 8 . 1 1 318 318 ILE C C 318 175.540 175.540 174.055 1.485 25667 1547 1 8 . 1 1 318 318 ILE CA C 318 61.601 61.601 61.661 -0.060 25667 1548 1 8 . 1 1 318 318 ILE CB C 318 39.035 39.035 40.427 -1.392 25667 1549 1 8 . 1 1 318 318 ILE H H 318 8.047 8.047 7.896 0.151 25667 1550 1 8 . 1 1 319 319 ASN N N 319 123.549 123.549 128.238 -4.689 25667 1551 1 8 . 1 1 319 319 ASN HA H 319 4.741 4.741 5.060 -0.319 25667 1552 1 8 . 1 1 319 319 ASN H H 319 8.419 8.419 8.606 -0.187 25667 1553 1 8 . 1 1 320 320 PRO C C 320 174.975 174.975 176.953 -1.978 25667 1554 1 8 . 1 1 321 321 ALA N N 321 121.415 121.415 127.430 -6.015 25667 1555 1 8 . 1 1 321 321 ALA HA H 321 4.182 4.182 4.071 0.111 25667 1556 1 8 . 1 1 321 321 ALA CA C 321 53.258 53.258 54.871 -1.613 25667 1557 1 8 . 1 1 321 321 ALA CB C 321 18.398 18.398 18.773 -0.375 25667 1558 1 8 . 1 1 321 321 ALA H H 321 8.170 8.170 8.610 -0.440 25667 1559 1 8 . 1 1 322 322 MET N N 322 118.223 118.223 115.255 2.968 25667 1560 1 8 . 1 1 322 322 MET HA H 322 4.414 4.414 4.157 0.257 25667 1561 1 8 . 1 1 322 322 MET C C 322 176.718 176.718 178.269 -1.551 25667 1562 1 8 . 1 1 322 322 MET CA C 322 56.000 56.000 58.439 -2.439 25667 1563 1 8 . 1 1 322 322 MET CB C 322 32.106 32.106 31.898 0.208 25667 1564 1 8 . 1 1 322 322 MET H H 322 8.001 8.001 8.159 -0.158 25667 1565 1 8 . 1 1 323 323 MET N N 323 120.466 120.466 118.620 1.846 25667 1566 1 8 . 1 1 323 323 MET HA H 323 4.339 4.339 4.237 0.102 25667 1567 1 8 . 1 1 323 323 MET C C 323 177.799 177.799 178.424 -0.625 25667 1568 1 8 . 1 1 323 323 MET CA C 323 56.191 56.191 58.231 -2.040 25667 1569 1 8 . 1 1 323 323 MET CB C 323 31.874 31.874 32.368 -0.494 25667 1570 1 8 . 1 1 323 323 MET H H 323 8.011 8.011 7.988 0.023 25667 1571 1 8 . 1 1 324 324 ALA N N 324 123.816 123.816 122.099 1.717 25667 1572 1 8 . 1 1 324 324 ALA HA H 324 4.257 4.257 4.104 0.153 25667 1573 1 8 . 1 1 324 324 ALA H H 324 8.183 8.183 7.481 0.702 25667 1574 1 8 . 1 1 325 325 ALA C C 325 174.696 174.696 179.427 -4.731 25667 1575 1 8 . 1 1 325 325 ALA CA C 325 53.257 53.257 54.770 -1.513 25667 1576 1 8 . 1 1 325 325 ALA CB C 325 18.466 18.466 18.414 0.052 25667 1577 1 8 . 1 1 326 326 ALA N N 326 122.221 122.221 119.663 2.558 25667 1578 1 8 . 1 1 326 326 ALA HA H 326 4.331 4.331 4.105 0.226 25667 1579 1 8 . 1 1 326 326 ALA C C 326 177.381 177.381 179.229 -1.848 25667 1580 1 8 . 1 1 326 326 ALA CA C 326 52.677 52.677 54.447 -1.770 25667 1581 1 8 . 1 1 326 326 ALA CB C 326 18.722 18.722 18.375 0.347 25667 1582 1 8 . 1 1 326 326 ALA H H 326 8.078 8.078 7.886 0.192 25667 1583 1 8 . 1 1 327 327 GLN N N 327 118.366 118.366 118.014 0.352 25667 1584 1 8 . 1 1 327 327 GLN HA H 327 4.183 4.183 4.220 -0.037 25667 1585 1 8 . 1 1 327 327 GLN C C 327 172.918 172.918 178.334 -5.416 25667 1586 1 8 . 1 1 327 327 GLN CA C 327 56.701 56.701 57.650 -0.949 25667 1587 1 8 . 1 1 327 327 GLN CB C 327 28.906 28.906 28.896 0.010 25667 1588 1 8 . 1 1 327 327 GLN H H 327 8.099 8.099 7.573 0.526 25667 1589 1 8 . 1 1 328 328 ALA N N 328 123.574 123.574 121.359 2.215 25667 1590 1 8 . 1 1 328 328 ALA HA H 328 4.338 4.338 4.232 0.106 25667 1591 1 8 . 1 1 328 328 ALA C C 328 176.126 176.126 178.976 -2.850 25667 1592 1 8 . 1 1 328 328 ALA CA C 328 53.212 53.212 53.854 -0.642 25667 1593 1 8 . 1 1 328 328 ALA CB C 328 18.520 18.520 18.122 0.398 25667 1594 1 8 . 1 1 328 328 ALA H H 328 8.107 8.107 7.963 0.144 25667 1595 1 8 . 1 1 329 329 ALA N N 329 121.502 121.502 121.927 -0.425 25667 1596 1 8 . 1 1 329 329 ALA HA H 329 4.199 4.199 4.120 0.079 25667 1597 1 8 . 1 1 329 329 ALA CA C 329 52.809 52.809 54.157 -1.348 25667 1598 1 8 . 1 1 329 329 ALA CB C 329 18.545 18.545 18.395 0.150 25667 1599 1 8 . 1 1 329 329 ALA H H 329 7.985 7.985 7.520 0.465 25667 1600 1 8 . 1 1 330 330 LEU N N 330 120.175 120.175 115.440 4.735 25667 1601 1 8 . 1 1 330 330 LEU HA H 330 4.258 4.258 4.075 0.183 25667 1602 1 8 . 1 1 330 330 LEU C C 330 178.078 178.078 177.380 0.698 25667 1603 1 8 . 1 1 330 330 LEU CA C 330 56.445 56.445 55.645 0.800 25667 1604 1 8 . 1 1 330 330 LEU CB C 330 41.810 41.810 41.781 0.029 25667 1605 1 8 . 1 1 330 330 LEU H H 330 7.900 7.900 7.317 0.583 25667 1606 1 8 . 1 1 331 331 GLN N N 331 120.194 120.194 119.021 1.173 25667 1607 1 8 . 1 1 331 331 GLN HA H 331 4.071 4.071 4.420 -0.349 25667 1608 1 8 . 1 1 331 331 GLN CA C 331 56.131 56.131 54.873 1.258 25667 1609 1 8 . 1 1 331 331 GLN CB C 331 29.094 29.094 29.632 -0.538 25667 1610 1 8 . 1 1 331 331 GLN H H 331 8.310 8.310 7.519 0.791 25667 1611 1 8 . 1 1 332 332 SER N N 332 115.944 115.944 121.237 -5.293 25667 1612 1 8 . 1 1 332 332 SER HA H 332 4.421 4.421 4.513 -0.092 25667 1613 1 8 . 1 1 332 332 SER H H 332 8.245 8.245 8.682 -0.437 25667 1614 1 8 . 1 1 333 333 SER N N 333 117.327 117.327 120.434 -3.107 25667 1615 1 8 . 1 1 333 333 SER C C 333 174.661 174.661 173.984 0.677 25667 1616 1 8 . 1 1 333 333 SER H H 333 8.143 8.143 7.879 0.264 25667 1617 1 8 . 1 1 334 334 TRP N N 334 123.002 123.002 124.298 -1.296 25667 1618 1 8 . 1 1 334 334 TRP HA H 334 4.646 4.646 4.875 -0.229 25667 1619 1 8 . 1 1 334 334 TRP C C 334 176.928 176.928 175.026 1.902 25667 1620 1 8 . 1 1 334 334 TRP CA C 334 56.099 56.099 56.678 -0.579 25667 1621 1 8 . 1 1 334 334 TRP CB C 334 31.916 31.916 30.414 1.502 25667 1622 1 8 . 1 1 334 334 TRP H H 334 8.092 8.092 8.273 -0.181 25667 1623 1 8 . 1 1 335 335 ASP N N 335 119.016 119.016 120.233 -1.217 25667 1624 1 8 . 1 1 335 335 ASP HA H 335 4.416 4.416 4.403 0.013 25667 1625 1 8 . 1 1 335 335 ASP C C 335 176.300 176.300 176.149 0.151 25667 1626 1 8 . 1 1 335 335 ASP CA C 335 54.354 54.354 54.258 0.096 25667 1627 1 8 . 1 1 335 335 ASP CB C 335 40.572 40.572 41.654 -1.081 25667 1628 1 8 . 1 1 335 335 ASP H H 335 8.205 8.205 8.315 -0.110 25667 1629 1 8 . 1 1 336 336 MET N N 336 120.419 120.419 117.972 2.447 25667 1630 1 8 . 1 1 336 336 MET HA H 336 3.988 3.988 4.609 -0.621 25667 1631 1 8 . 1 1 336 336 MET C C 336 175.707 175.707 175.627 0.080 25667 1632 1 8 . 1 1 336 336 MET CA C 336 55.159 55.159 56.791 -1.632 25667 1633 1 8 . 1 1 336 336 MET CB C 336 31.874 31.874 33.517 -1.643 25667 1634 1 8 . 1 1 336 336 MET H H 336 8.063 8.063 8.070 -0.007 25667 1635 1 8 . 1 1 337 337 MET N N 337 119.862 119.862 119.814 0.048 25667 1636 1 8 . 1 1 337 337 MET HA H 337 4.678 4.678 4.498 0.180 25667 1637 1 8 . 1 1 337 337 MET C C 337 177.451 177.451 177.702 -0.251 25667 1638 1 8 . 1 1 337 337 MET CA C 337 56.106 56.106 56.431 -0.325 25667 1639 1 8 . 1 1 337 337 MET CB C 337 32.013 32.013 32.659 -0.646 25667 1640 1 8 . 1 1 337 337 MET H H 337 8.346 8.346 8.300 0.046 25667 1641 1 8 . 1 1 338 338 GLY N N 338 109.026 109.026 107.625 1.401 25667 1642 1 8 . 1 1 338 338 GLY C C 338 174.731 174.731 174.400 0.331 25667 1643 1 8 . 1 1 338 338 GLY CA C 338 45.575 45.575 44.602 0.973 25667 1644 1 8 . 1 1 338 338 GLY H H 338 8.254 8.254 8.771 -0.517 25667 1645 1 8 . 1 1 339 339 MET N N 339 120.118 120.118 121.644 -1.526 25667 1646 1 8 . 1 1 339 339 MET HA H 339 4.410 4.410 4.138 0.272 25667 1647 1 8 . 1 1 339 339 MET C C 339 176.753 176.753 177.127 -0.374 25667 1648 1 8 . 1 1 339 339 MET CA C 339 56.247 56.247 58.587 -2.341 25667 1649 1 8 . 1 1 339 339 MET CB C 339 31.844 31.844 32.741 -0.897 25667 1650 1 8 . 1 1 339 339 MET H H 339 8.068 8.068 7.675 0.393 25667 1651 1 8 . 1 1 340 340 LEU N N 340 122.097 122.097 117.927 4.170 25667 1652 1 8 . 1 1 340 340 LEU HA H 340 4.323 4.323 4.134 0.189 25667 1653 1 8 . 1 1 340 340 LEU CA C 340 55.336 55.336 56.735 -1.399 25667 1654 1 8 . 1 1 340 340 LEU CB C 340 41.950 41.950 39.960 1.990 25667 1655 1 8 . 1 1 340 340 LEU H H 340 8.177 8.177 8.291 -0.114 25667 1656 1 8 . 1 1 341 341 ALA N N 341 123.844 123.844 120.575 3.269 25667 1657 1 8 . 1 1 341 341 ALA HA H 341 4.334 4.334 4.129 0.205 25667 1658 1 8 . 1 1 341 341 ALA C C 341 178.324 178.324 178.817 -0.493 25667 1659 1 8 . 1 1 341 341 ALA CA C 341 53.129 53.129 54.290 -1.161 25667 1660 1 8 . 1 1 341 341 ALA CB C 341 18.659 18.659 18.376 0.283 25667 1661 1 8 . 1 1 341 341 ALA H H 341 8.180 8.180 7.595 0.585 25667 1662 1 8 . 1 1 342 342 SER N N 342 113.799 113.799 113.348 0.451 25667 1663 1 8 . 1 1 342 342 SER HA H 342 4.395 4.395 4.504 -0.109 25667 1664 1 8 . 1 1 342 342 SER C C 342 174.975 174.975 176.735 -1.760 25667 1665 1 8 . 1 1 342 342 SER CA C 342 58.511 58.511 60.429 -1.918 25667 1666 1 8 . 1 1 342 342 SER CB C 342 63.372 63.372 64.172 -0.800 25667 1667 1 8 . 1 1 342 342 SER H H 342 8.096 8.096 7.813 0.283 25667 1668 1 8 . 1 1 343 343 GLN N N 343 121.045 121.045 121.068 -0.023 25667 1669 1 8 . 1 1 343 343 GLN HA H 343 4.515 4.515 4.098 0.417 25667 1670 1 8 . 1 1 343 343 GLN C C 343 176.230 176.230 176.854 -0.624 25667 1671 1 8 . 1 1 343 343 GLN CA C 343 55.882 55.882 58.003 -2.121 25667 1672 1 8 . 1 1 343 343 GLN CB C 343 29.175 29.175 28.571 0.604 25667 1673 1 8 . 1 1 343 343 GLN H H 343 8.219 8.219 8.252 -0.033 25667 1674 1 8 . 1 1 344 344 GLN N N 344 120.302 120.302 116.520 3.782 25667 1675 1 8 . 1 1 344 344 GLN HA H 344 4.398 4.398 4.095 0.303 25667 1676 1 8 . 1 1 344 344 GLN CA C 344 55.771 55.771 57.607 -1.836 25667 1677 1 8 . 1 1 344 344 GLN CB C 344 29.284 29.284 28.631 0.653 25667 1678 1 8 . 1 1 344 344 GLN H H 344 8.238 8.238 7.832 0.406 25667 1679 1 8 . 1 1 345 345 ASN N N 345 119.326 119.326 117.453 1.873 25667 1680 1 8 . 1 1 345 345 ASN HA H 345 4.694 4.694 4.604 0.090 25667 1681 1 8 . 1 1 345 345 ASN C C 345 175.289 175.289 176.612 -1.323 25667 1682 1 8 . 1 1 345 345 ASN CA C 345 53.413 53.413 53.586 -0.173 25667 1683 1 8 . 1 1 345 345 ASN CB C 345 38.461 38.461 39.165 -0.704 25667 1684 1 8 . 1 1 345 345 ASN H H 345 8.408 8.408 7.721 0.687 25667 1685 1 8 . 1 1 346 346 GLN N N 346 120.640 120.640 120.529 0.111 25667 1686 1 8 . 1 1 346 346 GLN HA H 346 4.057 4.057 4.327 -0.270 25667 1687 1 8 . 1 1 346 346 GLN C C 346 176.009 176.009 174.908 1.101 25667 1688 1 8 . 1 1 346 346 GLN CA C 346 55.671 55.671 54.993 0.678 25667 1689 1 8 . 1 1 346 346 GLN CB C 346 29.049 29.049 27.667 1.382 25667 1690 1 8 . 1 1 346 346 GLN H H 346 8.366 8.366 7.688 0.678 25667 1691 1 8 . 1 1 347 347 SER N N 347 116.808 116.808 117.780 -0.972 25667 1692 1 8 . 1 1 347 347 SER HA H 347 4.506 4.506 4.448 0.058 25667 1693 1 8 . 1 1 347 347 SER C C 347 174.595 174.595 174.689 -0.094 25667 1694 1 8 . 1 1 347 347 SER CA C 347 58.548 58.548 59.024 -0.476 25667 1695 1 8 . 1 1 347 347 SER CB C 347 64.048 64.048 62.964 1.084 25667 1696 1 8 . 1 1 347 347 SER H H 347 8.364 8.364 8.066 0.298 25667 1697 1 8 . 1 1 348 348 GLY N N 348 110.627 110.627 115.280 -4.653 25667 1698 1 8 . 1 1 348 348 GLY H H 348 8.221 8.221 8.101 0.120 25667 1699 1 8 . 1 1 349 349 PRO C C 349 177.497 177.497 177.496 0.001 25667 1700 1 8 . 1 1 349 349 PRO CA C 349 63.262 63.262 63.177 0.085 25667 1701 1 8 . 1 1 349 349 PRO CB C 349 31.949 31.949 32.192 -0.243 25667 1702 1 8 . 1 1 350 350 SER N N 350 115.992 115.992 114.811 1.181 25667 1703 1 8 . 1 1 350 350 SER C C 350 175.193 175.193 174.110 1.083 25667 1704 1 8 . 1 1 350 350 SER CA C 350 58.568 58.568 59.524 -0.956 25667 1705 1 8 . 1 1 350 350 SER CB C 350 63.900 63.900 62.682 1.218 25667 1706 1 8 . 1 1 350 350 SER H H 350 8.474 8.474 8.402 0.072 25667 1707 1 8 . 1 1 351 351 GLY N N 351 110.440 110.440 110.843 -0.403 25667 1708 1 8 . 1 1 351 351 GLY H H 351 8.352 8.352 7.878 0.474 25667 1709 1 8 . 1 1 353 353 ASN CA C 353 53.555 53.555 53.394 0.161 25667 1710 1 8 . 1 1 353 353 ASN CB C 353 38.461 38.461 39.035 -0.574 25667 1711 1 8 . 1 1 354 354 GLN N N 354 120.218 120.218 118.293 1.925 25667 1712 1 8 . 1 1 354 354 GLN HA H 354 4.307 4.307 4.006 0.301 25667 1713 1 8 . 1 1 354 354 GLN C C 354 175.916 175.916 174.470 1.446 25667 1714 1 8 . 1 1 354 354 GLN CA C 354 55.948 55.948 56.563 -0.615 25667 1715 1 8 . 1 1 354 354 GLN CB C 354 29.163 29.163 28.665 0.498 25667 1716 1 8 . 1 1 354 354 GLN H H 354 8.388 8.388 8.335 0.053 25667 1717 1 8 . 1 1 355 355 ASN N N 355 119.285 119.285 119.933 -0.648 25667 1718 1 8 . 1 1 355 355 ASN HA H 355 4.697 4.697 4.872 -0.175 25667 1719 1 8 . 1 1 355 355 ASN C C 355 175.114 175.114 174.762 0.352 25667 1720 1 8 . 1 1 355 355 ASN CA C 355 53.239 53.239 53.257 -0.018 25667 1721 1 8 . 1 1 355 355 ASN CB C 355 38.581 38.581 39.059 -0.478 25667 1722 1 8 . 1 1 355 355 ASN H H 355 8.457 8.457 8.697 -0.240 25667 1723 1 8 . 1 1 356 356 GLN N N 356 119.185 119.185 123.894 -4.709 25667 1724 1 8 . 1 1 356 356 GLN HA H 356 4.776 4.776 4.408 0.368 25667 1725 1 8 . 1 1 356 356 GLN C C 356 176.405 176.405 176.465 -0.060 25667 1726 1 8 . 1 1 356 356 GLN CA C 356 55.865 55.865 55.736 0.129 25667 1727 1 8 . 1 1 356 356 GLN CB C 356 29.239 29.239 29.932 -0.693 25667 1728 1 8 . 1 1 356 356 GLN H H 356 8.469 8.469 8.570 -0.101 25667 1729 1 8 . 1 1 357 357 GLY N N 357 109.452 109.452 109.754 -0.302 25667 1730 1 8 . 1 1 357 357 GLY C C 357 173.923 173.923 174.544 -0.621 25667 1731 1 8 . 1 1 357 357 GLY CA C 357 45.488 45.488 44.823 0.665 25667 1732 1 8 . 1 1 357 357 GLY H H 357 8.424 8.424 8.502 -0.078 25667 1733 1 8 . 1 1 358 358 ASN N N 358 118.477 118.477 121.567 -3.090 25667 1734 1 8 . 1 1 358 358 ASN HA H 358 4.736 4.736 4.706 0.030 25667 1735 1 8 . 1 1 358 358 ASN C C 358 175.184 175.184 174.325 0.859 25667 1736 1 8 . 1 1 358 358 ASN CA C 358 53.406 53.406 52.620 0.786 25667 1737 1 8 . 1 1 358 358 ASN CB C 358 38.470 38.470 37.559 0.912 25667 1738 1 8 . 1 1 358 358 ASN H H 358 8.295 8.295 8.603 -0.308 25667 1739 1 8 . 1 1 359 359 MET N N 359 120.987 120.987 123.271 -2.284 25667 1740 1 8 . 1 1 359 359 MET HA H 359 4.482 4.482 4.555 -0.073 25667 1741 1 8 . 1 1 359 359 MET C C 359 175.289 175.289 175.131 0.158 25667 1742 1 8 . 1 1 359 359 MET CA C 359 55.358 55.358 54.310 1.048 25667 1743 1 8 . 1 1 359 359 MET CB C 359 33.212 33.212 31.447 1.765 25667 1744 1 8 . 1 1 359 359 MET H H 359 8.349 8.349 7.944 0.405 25667 1745 1 9 . 1 1 313 313 PHE C C 313 175.149 175.149 176.706 -1.557 25667 1746 1 9 . 1 1 314 314 GLY N N 314 110.148 110.148 112.526 -2.378 25667 1747 1 9 . 1 1 314 314 GLY C C 314 173.918 173.918 173.502 0.416 25667 1748 1 9 . 1 1 314 314 GLY CA C 314 45.059 45.059 45.046 0.013 25667 1749 1 9 . 1 1 314 314 GLY H H 314 8.338 8.338 8.682 -0.344 25667 1750 1 9 . 1 1 315 315 ALA N N 315 123.626 123.626 121.482 2.144 25667 1751 1 9 . 1 1 315 315 ALA HA H 315 4.251 4.251 4.377 -0.126 25667 1752 1 9 . 1 1 315 315 ALA H H 315 8.032 8.032 7.743 0.289 25667 1753 1 9 . 1 1 316 316 PHE N N 316 117.829 117.829 117.554 0.275 25667 1754 1 9 . 1 1 316 316 PHE HA H 316 4.463 4.463 4.927 -0.464 25667 1755 1 9 . 1 1 316 316 PHE C C 316 175.568 175.568 174.017 1.551 25667 1756 1 9 . 1 1 316 316 PHE H H 316 8.286 8.286 8.157 0.129 25667 1757 1 9 . 1 1 317 317 SER N N 317 116.896 116.896 115.855 1.041 25667 1758 1 9 . 1 1 317 317 SER HA H 317 4.441 4.441 4.694 -0.253 25667 1759 1 9 . 1 1 317 317 SER C C 317 174.661 174.661 174.804 -0.143 25667 1760 1 9 . 1 1 317 317 SER CB C 317 63.893 63.893 63.929 -0.036 25667 1761 1 9 . 1 1 317 317 SER H H 317 8.056 8.056 7.824 0.232 25667 1762 1 9 . 1 1 318 318 ILE N N 318 121.668 121.668 123.026 -1.358 25667 1763 1 9 . 1 1 318 318 ILE HA H 318 4.262 4.262 3.546 0.716 25667 1764 1 9 . 1 1 318 318 ILE C C 318 175.540 175.540 175.416 0.124 25667 1765 1 9 . 1 1 318 318 ILE CA C 318 61.601 61.601 63.502 -1.901 25667 1766 1 9 . 1 1 318 318 ILE CB C 318 39.035 39.035 37.370 1.665 25667 1767 1 9 . 1 1 318 318 ILE H H 318 8.047 8.047 8.779 -0.732 25667 1768 1 9 . 1 1 319 319 ASN N N 319 123.549 123.549 119.543 4.006 25667 1769 1 9 . 1 1 319 319 ASN HA H 319 4.741 4.741 5.056 -0.315 25667 1770 1 9 . 1 1 319 319 ASN H H 319 8.419 8.419 8.018 0.401 25667 1771 1 9 . 1 1 320 320 PRO C C 320 174.975 174.975 176.793 -1.818 25667 1772 1 9 . 1 1 321 321 ALA N N 321 121.415 121.415 128.325 -6.910 25667 1773 1 9 . 1 1 321 321 ALA HA H 321 4.182 4.182 4.154 0.028 25667 1774 1 9 . 1 1 321 321 ALA CA C 321 53.258 53.258 54.835 -1.577 25667 1775 1 9 . 1 1 321 321 ALA CB C 321 18.398 18.398 19.141 -0.743 25667 1776 1 9 . 1 1 321 321 ALA H H 321 8.170 8.170 8.566 -0.396 25667 1777 1 9 . 1 1 322 322 MET N N 322 118.223 118.223 118.307 -0.084 25667 1778 1 9 . 1 1 322 322 MET HA H 322 4.414 4.414 4.254 0.160 25667 1779 1 9 . 1 1 322 322 MET C C 322 176.718 176.718 177.947 -1.229 25667 1780 1 9 . 1 1 322 322 MET CA C 322 56.000 56.000 58.469 -2.469 25667 1781 1 9 . 1 1 322 322 MET CB C 322 32.106 32.106 32.595 -0.489 25667 1782 1 9 . 1 1 322 322 MET H H 322 8.001 8.001 8.256 -0.255 25667 1783 1 9 . 1 1 323 323 MET N N 323 120.466 120.466 118.931 1.535 25667 1784 1 9 . 1 1 323 323 MET HA H 323 4.339 4.339 4.244 0.095 25667 1785 1 9 . 1 1 323 323 MET C C 323 177.799 177.799 177.738 0.061 25667 1786 1 9 . 1 1 323 323 MET CA C 323 56.191 56.191 57.576 -1.385 25667 1787 1 9 . 1 1 323 323 MET CB C 323 31.874 31.874 31.727 0.147 25667 1788 1 9 . 1 1 323 323 MET H H 323 8.011 8.011 8.062 -0.051 25667 1789 1 9 . 1 1 324 324 ALA N N 324 123.816 123.816 120.939 2.877 25667 1790 1 9 . 1 1 324 324 ALA HA H 324 4.257 4.257 4.379 -0.122 25667 1791 1 9 . 1 1 324 324 ALA H H 324 8.183 8.183 7.592 0.591 25667 1792 1 9 . 1 1 325 325 ALA C C 325 174.696 174.696 179.441 -4.745 25667 1793 1 9 . 1 1 325 325 ALA CA C 325 53.257 53.257 54.613 -1.356 25667 1794 1 9 . 1 1 325 325 ALA CB C 325 18.466 18.466 18.464 0.002 25667 1795 1 9 . 1 1 326 326 ALA N N 326 122.221 122.221 120.461 1.760 25667 1796 1 9 . 1 1 326 326 ALA HA H 326 4.331 4.331 4.040 0.291 25667 1797 1 9 . 1 1 326 326 ALA C C 326 177.381 177.381 179.838 -2.457 25667 1798 1 9 . 1 1 326 326 ALA CA C 326 52.677 52.677 54.667 -1.990 25667 1799 1 9 . 1 1 326 326 ALA CB C 326 18.722 18.722 18.208 0.514 25667 1800 1 9 . 1 1 326 326 ALA H H 326 8.078 8.078 8.003 0.075 25667 1801 1 9 . 1 1 327 327 GLN N N 327 118.366 118.366 117.264 1.102 25667 1802 1 9 . 1 1 327 327 GLN HA H 327 4.183 4.183 4.094 0.089 25667 1803 1 9 . 1 1 327 327 GLN C C 327 172.918 172.918 177.427 -4.509 25667 1804 1 9 . 1 1 327 327 GLN CA C 327 56.701 56.701 58.168 -1.467 25667 1805 1 9 . 1 1 327 327 GLN CB C 327 28.906 28.906 28.860 0.046 25667 1806 1 9 . 1 1 327 327 GLN H H 327 8.099 8.099 7.621 0.478 25667 1807 1 9 . 1 1 328 328 ALA N N 328 123.574 123.574 119.948 3.626 25667 1808 1 9 . 1 1 328 328 ALA HA H 328 4.338 4.338 4.578 -0.240 25667 1809 1 9 . 1 1 328 328 ALA C C 328 176.126 176.126 178.372 -2.246 25667 1810 1 9 . 1 1 328 328 ALA CA C 328 53.212 53.212 53.209 0.003 25667 1811 1 9 . 1 1 328 328 ALA CB C 328 18.520 18.520 18.954 -0.434 25667 1812 1 9 . 1 1 328 328 ALA H H 328 8.107 8.107 7.378 0.729 25667 1813 1 9 . 1 1 329 329 ALA N N 329 121.502 121.502 121.203 0.299 25667 1814 1 9 . 1 1 329 329 ALA HA H 329 4.199 4.199 4.198 0.001 25667 1815 1 9 . 1 1 329 329 ALA CA C 329 52.809 52.809 54.191 -1.382 25667 1816 1 9 . 1 1 329 329 ALA CB C 329 18.545 18.545 19.105 -0.560 25667 1817 1 9 . 1 1 329 329 ALA H H 329 7.985 7.985 7.684 0.301 25667 1818 1 9 . 1 1 330 330 LEU N N 330 120.175 120.175 114.346 5.829 25667 1819 1 9 . 1 1 330 330 LEU HA H 330 4.258 4.258 4.268 -0.010 25667 1820 1 9 . 1 1 330 330 LEU C C 330 178.078 178.078 176.626 1.452 25667 1821 1 9 . 1 1 330 330 LEU CA C 330 56.445 56.445 56.072 0.373 25667 1822 1 9 . 1 1 330 330 LEU CB C 330 41.810 41.810 41.520 0.290 25667 1823 1 9 . 1 1 330 330 LEU H H 330 7.900 7.900 7.393 0.507 25667 1824 1 9 . 1 1 331 331 GLN N N 331 120.194 120.194 119.384 0.810 25667 1825 1 9 . 1 1 331 331 GLN HA H 331 4.071 4.071 4.475 -0.404 25667 1826 1 9 . 1 1 331 331 GLN CA C 331 56.131 56.131 54.978 1.153 25667 1827 1 9 . 1 1 331 331 GLN CB C 331 29.094 29.094 29.616 -0.522 25667 1828 1 9 . 1 1 331 331 GLN H H 331 8.310 8.310 7.560 0.750 25667 1829 1 9 . 1 1 332 332 SER N N 332 115.944 115.944 118.573 -2.629 25667 1830 1 9 . 1 1 332 332 SER HA H 332 4.421 4.421 4.628 -0.207 25667 1831 1 9 . 1 1 332 332 SER H H 332 8.245 8.245 8.447 -0.202 25667 1832 1 9 . 1 1 333 333 SER N N 333 117.327 117.327 117.135 0.192 25667 1833 1 9 . 1 1 333 333 SER C C 333 174.661 174.661 173.822 0.839 25667 1834 1 9 . 1 1 333 333 SER H H 333 8.143 8.143 8.309 -0.166 25667 1835 1 9 . 1 1 334 334 TRP N N 334 123.002 123.002 125.487 -2.485 25667 1836 1 9 . 1 1 334 334 TRP HA H 334 4.646 4.646 4.899 -0.253 25667 1837 1 9 . 1 1 334 334 TRP C C 334 176.928 176.928 175.447 1.481 25667 1838 1 9 . 1 1 334 334 TRP CA C 334 56.099 56.099 56.567 -0.468 25667 1839 1 9 . 1 1 334 334 TRP CB C 334 31.916 31.916 30.291 1.625 25667 1840 1 9 . 1 1 334 334 TRP H H 334 8.092 8.092 7.234 0.858 25667 1841 1 9 . 1 1 335 335 ASP N N 335 119.016 119.016 120.084 -1.068 25667 1842 1 9 . 1 1 335 335 ASP HA H 335 4.416 4.416 4.649 -0.233 25667 1843 1 9 . 1 1 335 335 ASP C C 335 176.300 176.300 175.618 0.682 25667 1844 1 9 . 1 1 335 335 ASP CA C 335 54.354 54.354 54.161 0.193 25667 1845 1 9 . 1 1 335 335 ASP CB C 335 40.572 40.572 41.684 -1.112 25667 1846 1 9 . 1 1 335 335 ASP H H 335 8.205 8.205 8.723 -0.517 25667 1847 1 9 . 1 1 336 336 MET N N 336 120.419 120.419 119.074 1.345 25667 1848 1 9 . 1 1 336 336 MET HA H 336 3.988 3.988 4.567 -0.579 25667 1849 1 9 . 1 1 336 336 MET C C 336 175.707 175.707 177.273 -1.566 25667 1850 1 9 . 1 1 336 336 MET CA C 336 55.159 55.159 56.725 -1.566 25667 1851 1 9 . 1 1 336 336 MET CB C 336 31.874 31.874 34.058 -2.184 25667 1852 1 9 . 1 1 336 336 MET H H 336 8.063 8.063 7.987 0.076 25667 1853 1 9 . 1 1 337 337 MET N N 337 119.862 119.862 119.114 0.748 25667 1854 1 9 . 1 1 337 337 MET HA H 337 4.678 4.678 4.458 0.220 25667 1855 1 9 . 1 1 337 337 MET C C 337 177.451 177.451 178.058 -0.607 25667 1856 1 9 . 1 1 337 337 MET CA C 337 56.106 56.106 55.450 0.656 25667 1857 1 9 . 1 1 337 337 MET CB C 337 32.013 32.013 31.031 0.982 25667 1858 1 9 . 1 1 337 337 MET H H 337 8.346 8.346 8.394 -0.048 25667 1859 1 9 . 1 1 338 338 GLY N N 338 109.026 109.026 107.068 1.958 25667 1860 1 9 . 1 1 338 338 GLY C C 338 174.731 174.731 175.311 -0.580 25667 1861 1 9 . 1 1 338 338 GLY CA C 338 45.575 45.575 46.459 -0.884 25667 1862 1 9 . 1 1 338 338 GLY H H 338 8.254 8.254 8.903 -0.649 25667 1863 1 9 . 1 1 339 339 MET N N 339 120.118 120.118 121.299 -1.181 25667 1864 1 9 . 1 1 339 339 MET HA H 339 4.410 4.410 4.173 0.237 25667 1865 1 9 . 1 1 339 339 MET C C 339 176.753 176.753 177.200 -0.447 25667 1866 1 9 . 1 1 339 339 MET CA C 339 56.247 56.247 58.232 -1.985 25667 1867 1 9 . 1 1 339 339 MET CB C 339 31.844 31.844 32.709 -0.865 25667 1868 1 9 . 1 1 339 339 MET H H 339 8.068 8.068 7.553 0.515 25667 1869 1 9 . 1 1 340 340 LEU N N 340 122.097 122.097 119.441 2.656 25667 1870 1 9 . 1 1 340 340 LEU HA H 340 4.323 4.323 4.090 0.233 25667 1871 1 9 . 1 1 340 340 LEU CA C 340 55.336 55.336 56.999 -1.663 25667 1872 1 9 . 1 1 340 340 LEU CB C 340 41.950 41.950 41.604 0.346 25667 1873 1 9 . 1 1 340 340 LEU H H 340 8.177 8.177 7.644 0.533 25667 1874 1 9 . 1 1 341 341 ALA N N 341 123.844 123.844 118.852 4.992 25667 1875 1 9 . 1 1 341 341 ALA HA H 341 4.334 4.334 4.209 0.125 25667 1876 1 9 . 1 1 341 341 ALA C C 341 178.324 178.324 179.546 -1.222 25667 1877 1 9 . 1 1 341 341 ALA CA C 341 53.129 53.129 54.377 -1.248 25667 1878 1 9 . 1 1 341 341 ALA CB C 341 18.659 18.659 18.457 0.202 25667 1879 1 9 . 1 1 341 341 ALA H H 341 8.180 8.180 7.321 0.859 25667 1880 1 9 . 1 1 342 342 SER N N 342 113.799 113.799 113.079 0.720 25667 1881 1 9 . 1 1 342 342 SER HA H 342 4.395 4.395 4.377 0.018 25667 1882 1 9 . 1 1 342 342 SER C C 342 174.975 174.975 175.759 -0.784 25667 1883 1 9 . 1 1 342 342 SER CA C 342 58.511 58.511 60.214 -1.703 25667 1884 1 9 . 1 1 342 342 SER CB C 342 63.372 63.372 63.221 0.151 25667 1885 1 9 . 1 1 342 342 SER H H 342 8.096 8.096 7.498 0.598 25667 1886 1 9 . 1 1 343 343 GLN N N 343 121.045 121.045 119.337 1.708 25667 1887 1 9 . 1 1 343 343 GLN HA H 343 4.515 4.515 4.273 0.242 25667 1888 1 9 . 1 1 343 343 GLN C C 343 176.230 176.230 176.953 -0.723 25667 1889 1 9 . 1 1 343 343 GLN CA C 343 55.882 55.882 56.500 -0.618 25667 1890 1 9 . 1 1 343 343 GLN CB C 343 29.175 29.175 27.297 1.878 25667 1891 1 9 . 1 1 343 343 GLN H H 343 8.219 8.219 7.681 0.538 25667 1892 1 9 . 1 1 344 344 GLN N N 344 120.302 120.302 119.798 0.504 25667 1893 1 9 . 1 1 344 344 GLN HA H 344 4.398 4.398 4.113 0.285 25667 1894 1 9 . 1 1 344 344 GLN CA C 344 55.771 55.771 57.567 -1.796 25667 1895 1 9 . 1 1 344 344 GLN CB C 344 29.284 29.284 28.972 0.312 25667 1896 1 9 . 1 1 344 344 GLN H H 344 8.238 8.238 7.881 0.357 25667 1897 1 9 . 1 1 345 345 ASN N N 345 119.326 119.326 119.954 -0.628 25667 1898 1 9 . 1 1 345 345 ASN HA H 345 4.694 4.694 4.927 -0.233 25667 1899 1 9 . 1 1 345 345 ASN C C 345 175.289 175.289 174.991 0.298 25667 1900 1 9 . 1 1 345 345 ASN CA C 345 53.413 53.413 52.740 0.673 25667 1901 1 9 . 1 1 345 345 ASN CB C 345 38.461 38.461 38.433 0.028 25667 1902 1 9 . 1 1 345 345 ASN H H 345 8.408 8.408 7.738 0.670 25667 1903 1 9 . 1 1 346 346 GLN N N 346 120.640 120.640 121.828 -1.188 25667 1904 1 9 . 1 1 346 346 GLN HA H 346 4.057 4.057 4.419 -0.362 25667 1905 1 9 . 1 1 346 346 GLN C C 346 176.009 176.009 176.128 -0.119 25667 1906 1 9 . 1 1 346 346 GLN CA C 346 55.671 55.671 57.196 -1.525 25667 1907 1 9 . 1 1 346 346 GLN CB C 346 29.049 29.049 28.594 0.455 25667 1908 1 9 . 1 1 346 346 GLN H H 346 8.366 8.366 8.786 -0.420 25667 1909 1 9 . 1 1 347 347 SER N N 347 116.808 116.808 115.347 1.461 25667 1910 1 9 . 1 1 347 347 SER HA H 347 4.506 4.506 4.660 -0.154 25667 1911 1 9 . 1 1 347 347 SER C C 347 174.595 174.595 173.314 1.281 25667 1912 1 9 . 1 1 347 347 SER CA C 347 58.548 58.548 58.282 0.266 25667 1913 1 9 . 1 1 347 347 SER CB C 347 64.048 64.048 63.606 0.442 25667 1914 1 9 . 1 1 347 347 SER H H 347 8.364 8.364 8.015 0.349 25667 1915 1 9 . 1 1 348 348 GLY N N 348 110.627 110.627 109.515 1.112 25667 1916 1 9 . 1 1 348 348 GLY H H 348 8.221 8.221 7.410 0.811 25667 1917 1 9 . 1 1 349 349 PRO C C 349 177.497 177.497 176.377 1.120 25667 1918 1 9 . 1 1 349 349 PRO CA C 349 63.262 63.262 63.809 -0.547 25667 1919 1 9 . 1 1 349 349 PRO CB C 349 31.949 31.949 32.282 -0.333 25667 1920 1 9 . 1 1 350 350 SER N N 350 115.992 115.992 112.884 3.108 25667 1921 1 9 . 1 1 350 350 SER C C 350 175.193 175.193 173.749 1.444 25667 1922 1 9 . 1 1 350 350 SER CA C 350 58.568 58.568 58.236 0.332 25667 1923 1 9 . 1 1 350 350 SER CB C 350 63.900 63.900 62.779 1.121 25667 1924 1 9 . 1 1 350 350 SER H H 350 8.474 8.474 7.901 0.573 25667 1925 1 9 . 1 1 351 351 GLY N N 351 110.440 110.440 110.571 -0.131 25667 1926 1 9 . 1 1 351 351 GLY H H 351 8.352 8.352 7.572 0.780 25667 1927 1 9 . 1 1 353 353 ASN CA C 353 53.555 53.555 53.599 -0.044 25667 1928 1 9 . 1 1 353 353 ASN CB C 353 38.461 38.461 38.865 -0.404 25667 1929 1 9 . 1 1 354 354 GLN N N 354 120.218 120.218 117.987 2.231 25667 1930 1 9 . 1 1 354 354 GLN HA H 354 4.307 4.307 4.003 0.304 25667 1931 1 9 . 1 1 354 354 GLN C C 354 175.916 175.916 174.522 1.394 25667 1932 1 9 . 1 1 354 354 GLN CA C 354 55.948 55.948 56.562 -0.614 25667 1933 1 9 . 1 1 354 354 GLN CB C 354 29.163 29.163 28.145 1.018 25667 1934 1 9 . 1 1 354 354 GLN H H 354 8.388 8.388 8.091 0.297 25667 1935 1 9 . 1 1 355 355 ASN N N 355 119.285 119.285 121.554 -2.269 25667 1936 1 9 . 1 1 355 355 ASN HA H 355 4.697 4.697 4.735 -0.038 25667 1937 1 9 . 1 1 355 355 ASN C C 355 175.114 175.114 174.806 0.308 25667 1938 1 9 . 1 1 355 355 ASN CA C 355 53.239 53.239 53.579 -0.340 25667 1939 1 9 . 1 1 355 355 ASN CB C 355 38.581 38.581 38.281 0.300 25667 1940 1 9 . 1 1 355 355 ASN H H 355 8.457 8.457 8.483 -0.026 25667 1941 1 9 . 1 1 356 356 GLN N N 356 119.185 119.185 124.751 -5.566 25667 1942 1 9 . 1 1 356 356 GLN HA H 356 4.776 4.776 4.610 0.166 25667 1943 1 9 . 1 1 356 356 GLN C C 356 176.405 176.405 176.210 0.195 25667 1944 1 9 . 1 1 356 356 GLN CA C 356 55.865 55.865 54.984 0.881 25667 1945 1 9 . 1 1 356 356 GLN CB C 356 29.239 29.239 30.456 -1.217 25667 1946 1 9 . 1 1 356 356 GLN H H 356 8.469 8.469 8.262 0.207 25667 1947 1 9 . 1 1 357 357 GLY N N 357 109.452 109.452 107.454 1.998 25667 1948 1 9 . 1 1 357 357 GLY C C 357 173.923 173.923 174.161 -0.238 25667 1949 1 9 . 1 1 357 357 GLY CA C 357 45.488 45.488 44.793 0.695 25667 1950 1 9 . 1 1 357 357 GLY H H 357 8.424 8.424 8.816 -0.392 25667 1951 1 9 . 1 1 358 358 ASN N N 358 118.477 118.477 119.879 -1.402 25667 1952 1 9 . 1 1 358 358 ASN HA H 358 4.736 4.736 5.020 -0.284 25667 1953 1 9 . 1 1 358 358 ASN C C 358 175.184 175.184 175.358 -0.174 25667 1954 1 9 . 1 1 358 358 ASN CA C 358 53.406 53.406 52.551 0.855 25667 1955 1 9 . 1 1 358 358 ASN CB C 358 38.470 38.470 39.357 -0.887 25667 1956 1 9 . 1 1 358 358 ASN H H 358 8.295 8.295 8.207 0.088 25667 1957 1 9 . 1 1 359 359 MET N N 359 120.987 120.987 120.485 0.502 25667 1958 1 9 . 1 1 359 359 MET HA H 359 4.482 4.482 4.531 -0.049 25667 1959 1 9 . 1 1 359 359 MET C C 359 175.289 175.289 176.231 -0.942 25667 1960 1 9 . 1 1 359 359 MET CA C 359 55.358 55.358 55.005 0.353 25667 1961 1 9 . 1 1 359 359 MET CB C 359 33.212 33.212 31.820 1.393 25667 1962 1 9 . 1 1 359 359 MET H H 359 8.349 8.349 8.497 -0.148 25667 1963 1 10 . 1 1 313 313 PHE C C 313 175.149 175.149 176.073 -0.924 25667 1964 1 10 . 1 1 314 314 GLY N N 314 110.148 110.148 106.492 3.656 25667 1965 1 10 . 1 1 314 314 GLY C C 314 173.918 173.918 173.259 0.659 25667 1966 1 10 . 1 1 314 314 GLY CA C 314 45.059 45.059 44.495 0.564 25667 1967 1 10 . 1 1 314 314 GLY H H 314 8.338 8.338 7.711 0.627 25667 1968 1 10 . 1 1 315 315 ALA N N 315 123.626 123.626 120.481 3.145 25667 1969 1 10 . 1 1 315 315 ALA HA H 315 4.251 4.251 3.983 0.268 25667 1970 1 10 . 1 1 315 315 ALA H H 315 8.032 8.032 8.226 -0.194 25667 1971 1 10 . 1 1 316 316 PHE N N 316 117.829 117.829 119.531 -1.702 25667 1972 1 10 . 1 1 316 316 PHE HA H 316 4.463 4.463 4.599 -0.136 25667 1973 1 10 . 1 1 316 316 PHE C C 316 175.568 175.568 175.041 0.527 25667 1974 1 10 . 1 1 316 316 PHE H H 316 8.286 8.286 8.402 -0.116 25667 1975 1 10 . 1 1 317 317 SER N N 317 116.896 116.896 115.691 1.205 25667 1976 1 10 . 1 1 317 317 SER HA H 317 4.441 4.441 4.310 0.131 25667 1977 1 10 . 1 1 317 317 SER C C 317 174.661 174.661 174.298 0.363 25667 1978 1 10 . 1 1 317 317 SER CB C 317 63.893 63.893 63.567 0.326 25667 1979 1 10 . 1 1 317 317 SER H H 317 8.056 8.056 7.671 0.385 25667 1980 1 10 . 1 1 318 318 ILE N N 318 121.668 121.668 123.030 -1.362 25667 1981 1 10 . 1 1 318 318 ILE HA H 318 4.262 4.262 3.983 0.279 25667 1982 1 10 . 1 1 318 318 ILE C C 318 175.540 175.540 174.423 1.117 25667 1983 1 10 . 1 1 318 318 ILE CA C 318 61.601 61.601 60.334 1.267 25667 1984 1 10 . 1 1 318 318 ILE CB C 318 39.035 39.035 37.651 1.384 25667 1985 1 10 . 1 1 318 318 ILE H H 318 8.047 8.047 7.524 0.523 25667 1986 1 10 . 1 1 319 319 ASN N N 319 123.549 123.549 127.752 -4.203 25667 1987 1 10 . 1 1 319 319 ASN HA H 319 4.741 4.741 4.543 0.198 25667 1988 1 10 . 1 1 319 319 ASN H H 319 8.419 8.419 8.195 0.224 25667 1989 1 10 . 1 1 320 320 PRO C C 320 174.975 174.975 177.641 -2.666 25667 1990 1 10 . 1 1 321 321 ALA N N 321 121.415 121.415 127.855 -6.440 25667 1991 1 10 . 1 1 321 321 ALA HA H 321 4.182 4.182 4.089 0.093 25667 1992 1 10 . 1 1 321 321 ALA CA C 321 53.258 53.258 54.327 -1.069 25667 1993 1 10 . 1 1 321 321 ALA CB C 321 18.398 18.398 18.667 -0.269 25667 1994 1 10 . 1 1 321 321 ALA H H 321 8.170 8.170 8.581 -0.411 25667 1995 1 10 . 1 1 322 322 MET N N 322 118.223 118.223 118.721 -0.498 25667 1996 1 10 . 1 1 322 322 MET HA H 322 4.414 4.414 4.126 0.288 25667 1997 1 10 . 1 1 322 322 MET C C 322 176.718 176.718 177.775 -1.057 25667 1998 1 10 . 1 1 322 322 MET CA C 322 56.000 56.000 58.316 -2.316 25667 1999 1 10 . 1 1 322 322 MET CB C 322 32.106 32.106 32.318 -0.212 25667 2000 1 10 . 1 1 322 322 MET H H 322 8.001 8.001 8.263 -0.262 25667 2001 1 10 . 1 1 323 323 MET N N 323 120.466 120.466 118.780 1.686 25667 2002 1 10 . 1 1 323 323 MET HA H 323 4.339 4.339 4.174 0.165 25667 2003 1 10 . 1 1 323 323 MET C C 323 177.799 177.799 177.518 0.281 25667 2004 1 10 . 1 1 323 323 MET CA C 323 56.191 56.191 58.703 -2.512 25667 2005 1 10 . 1 1 323 323 MET CB C 323 31.874 31.874 32.618 -0.744 25667 2006 1 10 . 1 1 323 323 MET H H 323 8.011 8.011 7.628 0.383 25667 2007 1 10 . 1 1 324 324 ALA N N 324 123.816 123.816 121.086 2.730 25667 2008 1 10 . 1 1 324 324 ALA HA H 324 4.257 4.257 4.118 0.139 25667 2009 1 10 . 1 1 324 324 ALA H H 324 8.183 8.183 7.657 0.526 25667 2010 1 10 . 1 1 325 325 ALA C C 325 174.696 174.696 179.402 -4.706 25667 2011 1 10 . 1 1 325 325 ALA CA C 325 53.257 53.257 54.864 -1.607 25667 2012 1 10 . 1 1 325 325 ALA CB C 325 18.466 18.466 18.330 0.136 25667 2013 1 10 . 1 1 326 326 ALA N N 326 122.221 122.221 119.527 2.694 25667 2014 1 10 . 1 1 326 326 ALA HA H 326 4.331 4.331 4.068 0.263 25667 2015 1 10 . 1 1 326 326 ALA C C 326 177.381 177.381 179.380 -1.999 25667 2016 1 10 . 1 1 326 326 ALA CA C 326 52.677 52.677 54.811 -2.134 25667 2017 1 10 . 1 1 326 326 ALA CB C 326 18.722 18.722 18.322 0.400 25667 2018 1 10 . 1 1 326 326 ALA H H 326 8.078 8.078 8.089 -0.011 25667 2019 1 10 . 1 1 327 327 GLN N N 327 118.366 118.366 119.260 -0.894 25667 2020 1 10 . 1 1 327 327 GLN HA H 327 4.183 4.183 4.154 0.029 25667 2021 1 10 . 1 1 327 327 GLN C C 327 172.918 172.918 178.003 -5.085 25667 2022 1 10 . 1 1 327 327 GLN CA C 327 56.701 56.701 58.017 -1.316 25667 2023 1 10 . 1 1 327 327 GLN CB C 327 28.906 28.906 28.191 0.716 25667 2024 1 10 . 1 1 327 327 GLN H H 327 8.099 8.099 7.485 0.614 25667 2025 1 10 . 1 1 328 328 ALA N N 328 123.574 123.574 121.563 2.011 25667 2026 1 10 . 1 1 328 328 ALA HA H 328 4.338 4.338 4.208 0.130 25667 2027 1 10 . 1 1 328 328 ALA C C 328 176.126 176.126 178.918 -2.792 25667 2028 1 10 . 1 1 328 328 ALA CA C 328 53.212 53.212 53.982 -0.770 25667 2029 1 10 . 1 1 328 328 ALA CB C 328 18.520 18.520 18.541 -0.021 25667 2030 1 10 . 1 1 328 328 ALA H H 328 8.107 8.107 7.665 0.442 25667 2031 1 10 . 1 1 329 329 ALA N N 329 121.502 121.502 121.118 0.384 25667 2032 1 10 . 1 1 329 329 ALA HA H 329 4.199 4.199 4.109 0.090 25667 2033 1 10 . 1 1 329 329 ALA CA C 329 52.809 52.809 54.637 -1.828 25667 2034 1 10 . 1 1 329 329 ALA CB C 329 18.545 18.545 18.909 -0.364 25667 2035 1 10 . 1 1 329 329 ALA H H 329 7.985 7.985 7.976 0.009 25667 2036 1 10 . 1 1 330 330 LEU N N 330 120.175 120.175 118.609 1.566 25667 2037 1 10 . 1 1 330 330 LEU HA H 330 4.258 4.258 4.184 0.074 25667 2038 1 10 . 1 1 330 330 LEU C C 330 178.078 178.078 178.541 -0.463 25667 2039 1 10 . 1 1 330 330 LEU CA C 330 56.445 56.445 57.146 -0.701 25667 2040 1 10 . 1 1 330 330 LEU CB C 330 41.810 41.810 41.397 0.413 25667 2041 1 10 . 1 1 330 330 LEU H H 330 7.900 7.900 7.900 -0.000 25667 2042 1 10 . 1 1 331 331 GLN N N 331 120.194 120.194 117.992 2.202 25667 2043 1 10 . 1 1 331 331 GLN HA H 331 4.071 4.071 4.248 -0.177 25667 2044 1 10 . 1 1 331 331 GLN CA C 331 56.131 56.131 56.230 -0.099 25667 2045 1 10 . 1 1 331 331 GLN CB C 331 29.094 29.094 27.213 1.881 25667 2046 1 10 . 1 1 331 331 GLN H H 331 8.310 8.310 7.599 0.711 25667 2047 1 10 . 1 1 332 332 SER N N 332 115.944 115.944 114.868 1.076 25667 2048 1 10 . 1 1 332 332 SER HA H 332 4.421 4.421 4.644 -0.223 25667 2049 1 10 . 1 1 332 332 SER H H 332 8.245 8.245 8.134 0.111 25667 2050 1 10 . 1 1 333 333 SER N N 333 117.327 117.327 118.044 -0.717 25667 2051 1 10 . 1 1 333 333 SER C C 333 174.661 174.661 173.576 1.085 25667 2052 1 10 . 1 1 333 333 SER H H 333 8.143 8.143 7.506 0.637 25667 2053 1 10 . 1 1 334 334 TRP N N 334 123.002 123.002 124.069 -1.067 25667 2054 1 10 . 1 1 334 334 TRP HA H 334 4.646 4.646 4.892 -0.246 25667 2055 1 10 . 1 1 334 334 TRP C C 334 176.928 176.928 175.210 1.718 25667 2056 1 10 . 1 1 334 334 TRP CA C 334 56.099 56.099 56.908 -0.809 25667 2057 1 10 . 1 1 334 334 TRP CB C 334 31.916 31.916 30.552 1.364 25667 2058 1 10 . 1 1 334 334 TRP H H 334 8.092 8.092 7.628 0.464 25667 2059 1 10 . 1 1 335 335 ASP N N 335 119.016 119.016 123.219 -4.203 25667 2060 1 10 . 1 1 335 335 ASP HA H 335 4.416 4.416 4.614 -0.198 25667 2061 1 10 . 1 1 335 335 ASP C C 335 176.300 176.300 175.568 0.732 25667 2062 1 10 . 1 1 335 335 ASP CA C 335 54.354 54.354 54.510 -0.156 25667 2063 1 10 . 1 1 335 335 ASP CB C 335 40.572 40.572 40.351 0.221 25667 2064 1 10 . 1 1 335 335 ASP H H 335 8.205 8.205 8.296 -0.091 25667 2065 1 10 . 1 1 336 336 MET N N 336 120.419 120.419 118.870 1.549 25667 2066 1 10 . 1 1 336 336 MET HA H 336 3.988 3.988 4.735 -0.747 25667 2067 1 10 . 1 1 336 336 MET C C 336 175.707 175.707 177.284 -1.577 25667 2068 1 10 . 1 1 336 336 MET CA C 336 55.159 55.159 56.088 -0.929 25667 2069 1 10 . 1 1 336 336 MET CB C 336 31.874 31.874 33.433 -1.559 25667 2070 1 10 . 1 1 336 336 MET H H 336 8.063 8.063 8.281 -0.218 25667 2071 1 10 . 1 1 337 337 MET N N 337 119.862 119.862 118.729 1.133 25667 2072 1 10 . 1 1 337 337 MET HA H 337 4.678 4.678 4.602 0.076 25667 2073 1 10 . 1 1 337 337 MET C C 337 177.451 177.451 176.633 0.818 25667 2074 1 10 . 1 1 337 337 MET CA C 337 56.106 56.106 55.853 0.253 25667 2075 1 10 . 1 1 337 337 MET CB C 337 32.013 32.013 32.935 -0.922 25667 2076 1 10 . 1 1 337 337 MET H H 337 8.346 8.346 8.065 0.281 25667 2077 1 10 . 1 1 338 338 GLY N N 338 109.026 109.026 108.159 0.867 25667 2078 1 10 . 1 1 338 338 GLY C C 338 174.731 174.731 175.243 -0.512 25667 2079 1 10 . 1 1 338 338 GLY CA C 338 45.575 45.575 45.421 0.154 25667 2080 1 10 . 1 1 338 338 GLY H H 338 8.254 8.254 8.217 0.037 25667 2081 1 10 . 1 1 339 339 MET N N 339 120.118 120.118 118.717 1.401 25667 2082 1 10 . 1 1 339 339 MET HA H 339 4.410 4.410 4.130 0.280 25667 2083 1 10 . 1 1 339 339 MET C C 339 176.753 176.753 177.651 -0.898 25667 2084 1 10 . 1 1 339 339 MET CA C 339 56.247 56.247 57.795 -1.548 25667 2085 1 10 . 1 1 339 339 MET CB C 339 31.844 31.844 32.443 -0.599 25667 2086 1 10 . 1 1 339 339 MET H H 339 8.068 8.068 8.154 -0.086 25667 2087 1 10 . 1 1 340 340 LEU N N 340 122.097 122.097 118.849 3.248 25667 2088 1 10 . 1 1 340 340 LEU HA H 340 4.323 4.323 4.070 0.253 25667 2089 1 10 . 1 1 340 340 LEU CA C 340 55.336 55.336 57.057 -1.721 25667 2090 1 10 . 1 1 340 340 LEU CB C 340 41.950 41.950 40.958 0.992 25667 2091 1 10 . 1 1 340 340 LEU H H 340 8.177 8.177 7.949 0.228 25667 2092 1 10 . 1 1 341 341 ALA N N 341 123.844 123.844 120.752 3.092 25667 2093 1 10 . 1 1 341 341 ALA HA H 341 4.334 4.334 4.174 0.160 25667 2094 1 10 . 1 1 341 341 ALA C C 341 178.324 178.324 178.989 -0.665 25667 2095 1 10 . 1 1 341 341 ALA CA C 341 53.129 53.129 54.570 -1.441 25667 2096 1 10 . 1 1 341 341 ALA CB C 341 18.659 18.659 18.613 0.046 25667 2097 1 10 . 1 1 341 341 ALA H H 341 8.180 8.180 7.898 0.282 25667 2098 1 10 . 1 1 342 342 SER N N 342 113.799 113.799 112.181 1.618 25667 2099 1 10 . 1 1 342 342 SER HA H 342 4.395 4.395 4.513 -0.118 25667 2100 1 10 . 1 1 342 342 SER C C 342 174.975 174.975 176.622 -1.647 25667 2101 1 10 . 1 1 342 342 SER CA C 342 58.511 58.511 59.140 -0.629 25667 2102 1 10 . 1 1 342 342 SER CB C 342 63.372 63.372 63.927 -0.555 25667 2103 1 10 . 1 1 342 342 SER H H 342 8.096 8.096 7.691 0.405 25667 2104 1 10 . 1 1 343 343 GLN N N 343 121.045 121.045 121.298 -0.253 25667 2105 1 10 . 1 1 343 343 GLN HA H 343 4.515 4.515 4.248 0.267 25667 2106 1 10 . 1 1 343 343 GLN C C 343 176.230 176.230 178.280 -2.050 25667 2107 1 10 . 1 1 343 343 GLN CA C 343 55.882 55.882 57.980 -2.098 25667 2108 1 10 . 1 1 343 343 GLN CB C 343 29.175 29.175 28.628 0.547 25667 2109 1 10 . 1 1 343 343 GLN H H 343 8.219 8.219 8.165 0.054 25667 2110 1 10 . 1 1 344 344 GLN N N 344 120.302 120.302 117.133 3.169 25667 2111 1 10 . 1 1 344 344 GLN HA H 344 4.398 4.398 4.286 0.112 25667 2112 1 10 . 1 1 344 344 GLN CA C 344 55.771 55.771 56.961 -1.190 25667 2113 1 10 . 1 1 344 344 GLN CB C 344 29.284 29.284 28.981 0.303 25667 2114 1 10 . 1 1 344 344 GLN H H 344 8.238 8.238 7.569 0.669 25667 2115 1 10 . 1 1 345 345 ASN N N 345 119.326 119.326 115.377 3.949 25667 2116 1 10 . 1 1 345 345 ASN HA H 345 4.694 4.694 5.267 -0.573 25667 2117 1 10 . 1 1 345 345 ASN C C 345 175.289 175.289 175.165 0.124 25667 2118 1 10 . 1 1 345 345 ASN CA C 345 53.413 53.413 52.197 1.216 25667 2119 1 10 . 1 1 345 345 ASN CB C 345 38.461 38.461 38.837 -0.376 25667 2120 1 10 . 1 1 345 345 ASN H H 345 8.408 8.408 7.393 1.015 25667 2121 1 10 . 1 1 346 346 GLN N N 346 120.640 120.640 120.501 0.139 25667 2122 1 10 . 1 1 346 346 GLN HA H 346 4.057 4.057 4.330 -0.273 25667 2123 1 10 . 1 1 346 346 GLN C C 346 176.009 176.009 176.533 -0.524 25667 2124 1 10 . 1 1 346 346 GLN CA C 346 55.671 55.671 57.823 -2.152 25667 2125 1 10 . 1 1 346 346 GLN CB C 346 29.049 29.049 29.710 -0.662 25667 2126 1 10 . 1 1 346 346 GLN H H 346 8.366 8.366 7.960 0.406 25667 2127 1 10 . 1 1 347 347 SER N N 347 116.808 116.808 113.463 3.345 25667 2128 1 10 . 1 1 347 347 SER HA H 347 4.506 4.506 4.591 -0.085 25667 2129 1 10 . 1 1 347 347 SER C C 347 174.595 174.595 174.364 0.231 25667 2130 1 10 . 1 1 347 347 SER CA C 347 58.548 58.548 56.828 1.720 25667 2131 1 10 . 1 1 347 347 SER CB C 347 64.048 64.048 61.892 2.156 25667 2132 1 10 . 1 1 347 347 SER H H 347 8.364 8.364 8.211 0.153 25667 2133 1 10 . 1 1 348 348 GLY N N 348 110.627 110.627 111.235 -0.608 25667 2134 1 10 . 1 1 348 348 GLY H H 348 8.221 8.221 7.507 0.714 25667 2135 1 10 . 1 1 349 349 PRO C C 349 177.497 177.497 176.853 0.644 25667 2136 1 10 . 1 1 349 349 PRO CA C 349 63.262 63.262 63.792 -0.530 25667 2137 1 10 . 1 1 349 349 PRO CB C 349 31.949 31.949 32.282 -0.333 25667 2138 1 10 . 1 1 350 350 SER N N 350 115.992 115.992 116.457 -0.465 25667 2139 1 10 . 1 1 350 350 SER C C 350 175.193 175.193 175.168 0.025 25667 2140 1 10 . 1 1 350 350 SER CA C 350 58.568 58.568 57.352 1.216 25667 2141 1 10 . 1 1 350 350 SER CB C 350 63.900 63.900 63.011 0.889 25667 2142 1 10 . 1 1 350 350 SER H H 350 8.474 8.474 7.809 0.665 25667 2143 1 10 . 1 1 351 351 GLY N N 351 110.440 110.440 112.395 -1.955 25667 2144 1 10 . 1 1 351 351 GLY H H 351 8.352 8.352 8.850 -0.498 25667 2145 1 10 . 1 1 353 353 ASN CA C 353 53.555 53.555 53.286 0.269 25667 2146 1 10 . 1 1 353 353 ASN CB C 353 38.461 38.461 37.682 0.779 25667 2147 1 10 . 1 1 354 354 GLN N N 354 120.218 120.218 121.569 -1.351 25667 2148 1 10 . 1 1 354 354 GLN HA H 354 4.307 4.307 4.469 -0.162 25667 2149 1 10 . 1 1 354 354 GLN C C 354 175.916 175.916 174.828 1.088 25667 2150 1 10 . 1 1 354 354 GLN CA C 354 55.948 55.948 55.128 0.820 25667 2151 1 10 . 1 1 354 354 GLN CB C 354 29.163 29.163 28.447 0.716 25667 2152 1 10 . 1 1 354 354 GLN H H 354 8.388 8.388 7.908 0.480 25667 2153 1 10 . 1 1 355 355 ASN N N 355 119.285 119.285 122.454 -3.169 25667 2154 1 10 . 1 1 355 355 ASN HA H 355 4.697 4.697 4.897 -0.201 25667 2155 1 10 . 1 1 355 355 ASN C C 355 175.114 175.114 174.954 0.160 25667 2156 1 10 . 1 1 355 355 ASN CA C 355 53.239 53.239 53.125 0.114 25667 2157 1 10 . 1 1 355 355 ASN CB C 355 38.581 38.581 38.998 -0.417 25667 2158 1 10 . 1 1 355 355 ASN H H 355 8.457 8.457 8.734 -0.277 25667 2159 1 10 . 1 1 356 356 GLN N N 356 119.185 119.185 123.625 -4.440 25667 2160 1 10 . 1 1 356 356 GLN HA H 356 4.776 4.776 4.493 0.283 25667 2161 1 10 . 1 1 356 356 GLN C C 356 176.405 176.405 175.792 0.613 25667 2162 1 10 . 1 1 356 356 GLN CA C 356 55.865 55.865 55.714 0.151 25667 2163 1 10 . 1 1 356 356 GLN CB C 356 29.239 29.239 28.818 0.421 25667 2164 1 10 . 1 1 356 356 GLN H H 356 8.469 8.469 8.641 -0.172 25667 2165 1 10 . 1 1 357 357 GLY N N 357 109.452 109.452 111.878 -2.426 25667 2166 1 10 . 1 1 357 357 GLY C C 357 173.923 173.923 173.816 0.107 25667 2167 1 10 . 1 1 357 357 GLY CA C 357 45.488 45.488 45.426 0.062 25667 2168 1 10 . 1 1 357 357 GLY H H 357 8.424 8.424 8.577 -0.153 25667 2169 1 10 . 1 1 358 358 ASN N N 358 118.477 118.477 119.034 -0.557 25667 2170 1 10 . 1 1 358 358 ASN HA H 358 4.736 4.736 4.842 -0.106 25667 2171 1 10 . 1 1 358 358 ASN C C 358 175.184 175.184 175.320 -0.136 25667 2172 1 10 . 1 1 358 358 ASN CA C 358 53.406 53.406 53.075 0.331 25667 2173 1 10 . 1 1 358 358 ASN CB C 358 38.470 38.470 38.612 -0.142 25667 2174 1 10 . 1 1 358 358 ASN H H 358 8.295 8.295 8.618 -0.324 25667 2175 1 10 . 1 1 359 359 MET N N 359 120.987 120.987 117.305 3.682 25667 2176 1 10 . 1 1 359 359 MET HA H 359 4.482 4.482 4.097 0.385 25667 2177 1 10 . 1 1 359 359 MET C C 359 175.289 175.289 174.120 1.169 25667 2178 1 10 . 1 1 359 359 MET CA C 359 55.358 55.358 56.017 -0.659 25667 2179 1 10 . 1 1 359 359 MET CB C 359 33.212 33.212 31.566 1.646 25667 2180 1 10 . 1 1 359 359 MET H H 359 8.349 8.349 8.263 0.086 25667 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 41 2.767 0.251 2.789 25667 2 1 1 "Average Difference" HA 41 0.300 -0.124 0.277 25667 3 1 1 "Average Difference" C 34 1.589 0.383 1.565 25667 4 1 1 "Average Difference" CA 35 1.137 0.592 0.986 25667 5 1 1 "Average Difference" CB 33 1.074 -0.437 0.996 25667 6 1 1 "Average Difference" HN 41 0.433 -0.181 0.398 25667 7 1 2 "Average Difference" N 41 2.816 -0.439 2.816 25667 8 1 2 "Average Difference" HA 41 0.260 0.011 0.263 25667 9 1 2 "Average Difference" C 34 1.613 0.426 1.580 25667 10 1 2 "Average Difference" CA 35 1.264 0.614 1.121 25667 11 1 2 "Average Difference" CB 33 1.041 0.202 1.037 25667 12 1 2 "Average Difference" HN 41 0.407 -0.090 0.402 25667 13 1 3 "Average Difference" N 41 2.540 -0.346 2.548 25667 14 1 3 "Average Difference" HA 41 0.262 0.012 0.265 25667 15 1 3 "Average Difference" C 34 1.600 0.218 1.609 25667 16 1 3 "Average Difference" CA 35 1.144 0.490 1.049 25667 17 1 3 "Average Difference" CB 33 0.919 0.104 0.927 25667 18 1 3 "Average Difference" HN 41 0.453 -0.163 0.428 25667 19 1 4 "Average Difference" N 41 2.608 -0.492 2.593 25667 20 1 4 "Average Difference" HA 41 0.265 -0.047 0.264 25667 21 1 4 "Average Difference" C 34 1.613 0.262 1.616 25667 22 1 4 "Average Difference" CA 35 1.269 0.534 1.168 25667 23 1 4 "Average Difference" CB 33 0.951 -0.135 0.955 25667 24 1 4 "Average Difference" HN 41 0.454 -0.119 0.444 25667 25 1 5 "Average Difference" N 41 2.287 0.047 2.315 25667 26 1 5 "Average Difference" HA 41 0.218 -0.050 0.215 25667 27 1 5 "Average Difference" C 34 1.607 0.533 1.539 25667 28 1 5 "Average Difference" CA 35 1.181 0.634 1.011 25667 29 1 5 "Average Difference" CB 33 0.751 -0.127 0.752 25667 30 1 5 "Average Difference" HN 41 0.432 -0.129 0.418 25667 31 1 6 "Average Difference" N 41 2.954 -1.103 2.774 25667 32 1 6 "Average Difference" HA 41 0.426 -0.161 0.399 25667 33 1 6 "Average Difference" C 34 1.579 0.415 1.546 25667 34 1 6 "Average Difference" CA 35 1.479 0.797 1.264 25667 35 1 6 "Average Difference" CB 33 1.032 -0.250 1.017 25667 36 1 6 "Average Difference" HN 41 0.436 -0.128 0.422 25667 37 1 7 "Average Difference" N 41 2.655 -0.628 2.612 25667 38 1 7 "Average Difference" HA 41 0.267 -0.045 0.266 25667 39 1 7 "Average Difference" C 34 1.625 0.570 1.545 25667 40 1 7 "Average Difference" CA 35 1.373 0.775 1.150 25667 41 1 7 "Average Difference" CB 33 1.185 -0.127 1.197 25667 42 1 7 "Average Difference" HN 41 0.465 -0.149 0.446 25667 43 1 8 "Average Difference" N 41 2.694 0.128 2.724 25667 44 1 8 "Average Difference" HA 41 0.255 -0.037 0.255 25667 45 1 8 "Average Difference" C 34 1.652 0.407 1.625 25667 46 1 8 "Average Difference" CA 35 1.220 0.601 1.078 25667 47 1 8 "Average Difference" CB 33 0.932 -0.125 0.938 25667 48 1 8 "Average Difference" HN 41 0.386 -0.124 0.370 25667 49 1 9 "Average Difference" N 41 2.516 -0.519 2.493 25667 50 1 9 "Average Difference" HA 41 0.276 -0.016 0.279 25667 51 1 9 "Average Difference" C 34 1.566 0.396 1.538 25667 52 1 9 "Average Difference" CA 35 1.195 0.631 1.030 25667 53 1 9 "Average Difference" CB 33 0.890 -0.095 0.899 25667 54 1 9 "Average Difference" HN 41 0.480 -0.201 0.441 25667 55 1 10 "Average Difference" N 41 2.523 -0.323 2.533 25667 56 1 10 "Average Difference" HA 41 0.261 -0.046 0.260 25667 57 1 10 "Average Difference" C 34 1.638 0.478 1.591 25667 58 1 10 "Average Difference" CA 35 1.259 0.574 1.137 25667 59 1 10 "Average Difference" CB 33 0.867 -0.247 0.844 25667 60 1 10 "Average Difference" HN 41 0.415 -0.203 0.367 25667 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 25667 _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 1 313 313 PHE C C 313 175.149 175.149 175.804 -0.655 25667 2 1 . 1 1 314 314 GLY N N 314 110.148 110.148 108.886 1.262 25667 3 1 . 1 1 314 314 GLY C C 314 173.918 173.918 173.316 0.602 25667 4 1 . 1 1 314 314 GLY CA C 314 45.059 45.059 44.815 0.244 25667 5 1 . 1 1 314 314 GLY H H 314 8.338 8.338 7.925 0.413 25667 6 1 . 1 1 315 315 ALA N N 315 123.626 123.626 123.053 0.573 25667 7 1 . 1 1 315 315 ALA HA H 315 4.251 4.251 4.313 -0.062 25667 8 1 . 1 1 315 315 ALA H H 315 8.032 8.032 8.126 -0.094 25667 9 1 . 1 1 316 316 PHE N N 316 117.829 117.829 118.294 -0.465 25667 10 1 . 1 1 316 316 PHE HA H 316 4.463 4.463 4.525 -0.062 25667 11 1 . 1 1 316 316 PHE C C 316 175.568 175.568 175.384 0.184 25667 12 1 . 1 1 316 316 PHE H H 316 8.286 8.286 7.985 0.301 25667 13 1 . 1 1 317 317 SER N N 317 116.896 116.896 117.213 -0.317 25667 14 1 . 1 1 317 317 SER HA H 317 4.441 4.441 4.472 -0.031 25667 15 1 . 1 1 317 317 SER C C 317 174.661 174.661 174.098 0.563 25667 16 1 . 1 1 317 317 SER CB C 317 63.893 63.893 63.014 0.879 25667 17 1 . 1 1 317 317 SER H H 317 8.056 8.056 8.262 -0.206 25667 18 1 . 1 1 318 318 ILE N N 318 121.668 121.668 121.871 -0.203 25667 19 1 . 1 1 318 318 ILE HA H 318 4.262 4.262 4.153 0.109 25667 20 1 . 1 1 318 318 ILE C C 318 175.540 175.540 175.027 0.513 25667 21 1 . 1 1 318 318 ILE CA C 318 61.601 61.601 61.192 0.409 25667 22 1 . 1 1 318 318 ILE CB C 318 39.035 39.035 38.541 0.494 25667 23 1 . 1 1 318 318 ILE H H 318 8.047 8.047 7.983 0.064 25667 24 1 . 1 1 319 319 ASN N N 319 123.549 123.549 124.960 -1.411 25667 25 1 . 1 1 319 319 ASN HA H 319 4.741 4.741 4.982 -0.241 25667 26 1 . 1 1 319 319 ASN H H 319 8.419 8.419 8.256 0.163 25667 27 1 . 1 1 320 320 PRO C C 320 174.975 174.975 176.886 -1.911 25667 28 1 . 1 1 321 321 ALA N N 321 121.415 121.415 127.326 -5.911 25667 29 1 . 1 1 321 321 ALA HA H 321 4.182 4.182 4.132 0.050 25667 30 1 . 1 1 321 321 ALA CA C 321 53.258 53.258 54.709 -1.451 25667 31 1 . 1 1 321 321 ALA CB C 321 18.398 18.398 18.825 -0.427 25667 32 1 . 1 1 321 321 ALA H H 321 8.170 8.170 8.620 -0.450 25667 33 1 . 1 1 322 322 MET N N 322 118.223 118.223 117.237 0.986 25667 34 1 . 1 1 322 322 MET HA H 322 4.414 4.414 4.167 0.247 25667 35 1 . 1 1 322 322 MET C C 322 176.718 176.718 178.017 -1.299 25667 36 1 . 1 1 322 322 MET CA C 322 56.000 56.000 58.434 -2.434 25667 37 1 . 1 1 322 322 MET CB C 322 32.106 32.106 32.196 -0.090 25667 38 1 . 1 1 322 322 MET H H 322 8.001 8.001 8.282 -0.281 25667 39 1 . 1 1 323 323 MET N N 323 120.466 120.466 118.281 2.185 25667 40 1 . 1 1 323 323 MET HA H 323 4.339 4.339 4.221 0.118 25667 41 1 . 1 1 323 323 MET C C 323 177.799 177.799 178.076 -0.277 25667 42 1 . 1 1 323 323 MET CA C 323 56.191 56.191 57.864 -1.673 25667 43 1 . 1 1 323 323 MET CB C 323 31.874 31.874 31.871 0.003 25667 44 1 . 1 1 323 323 MET H H 323 8.011 8.011 7.724 0.287 25667 45 1 . 1 1 324 324 ALA N N 324 123.816 123.816 121.446 2.370 25667 46 1 . 1 1 324 324 ALA HA H 324 4.257 4.257 4.130 0.127 25667 47 1 . 1 1 324 324 ALA H H 324 8.183 8.183 7.738 0.445 25667 48 1 . 1 1 325 325 ALA C C 325 174.696 174.696 179.420 -4.724 25667 49 1 . 1 1 325 325 ALA CA C 325 53.257 53.257 54.741 -1.484 25667 50 1 . 1 1 325 325 ALA CB C 325 18.466 18.466 18.391 0.075 25667 51 1 . 1 1 326 326 ALA N N 326 122.221 122.221 119.718 2.503 25667 52 1 . 1 1 326 326 ALA HA H 326 4.331 4.331 4.086 0.245 25667 53 1 . 1 1 326 326 ALA C C 326 177.381 177.381 179.437 -2.056 25667 54 1 . 1 1 326 326 ALA CA C 326 52.677 52.677 54.577 -1.900 25667 55 1 . 1 1 326 326 ALA CB C 326 18.722 18.722 18.315 0.407 25667 56 1 . 1 1 326 326 ALA H H 326 8.078 8.078 7.903 0.175 25667 57 1 . 1 1 327 327 GLN N N 327 118.366 118.366 118.129 0.237 25667 58 1 . 1 1 327 327 GLN HA H 327 4.183 4.183 4.164 0.019 25667 59 1 . 1 1 327 327 GLN C C 327 172.918 172.918 177.969 -5.051 25667 60 1 . 1 1 327 327 GLN CA C 327 56.701 56.701 58.063 -1.363 25667 61 1 . 1 1 327 327 GLN CB C 327 28.906 28.906 28.754 0.152 25667 62 1 . 1 1 327 327 GLN H H 327 8.099 8.099 7.598 0.501 25667 63 1 . 1 1 328 328 ALA N N 328 123.574 123.574 121.229 2.345 25667 64 1 . 1 1 328 328 ALA HA H 328 4.338 4.338 4.291 0.047 25667 65 1 . 1 1 328 328 ALA C C 328 176.126 176.126 178.754 -2.628 25667 66 1 . 1 1 328 328 ALA CA C 328 53.212 53.212 53.826 -0.614 25667 67 1 . 1 1 328 328 ALA CB C 328 18.520 18.520 18.494 0.026 25667 68 1 . 1 1 328 328 ALA H H 328 8.107 8.107 7.850 0.257 25667 69 1 . 1 1 329 329 ALA N N 329 121.502 121.502 121.318 0.184 25667 70 1 . 1 1 329 329 ALA HA H 329 4.199 4.199 4.138 0.060 25667 71 1 . 1 1 329 329 ALA CA C 329 52.809 52.809 54.261 -1.452 25667 72 1 . 1 1 329 329 ALA CB C 329 18.545 18.545 18.567 -0.022 25667 73 1 . 1 1 329 329 ALA H H 329 7.985 7.985 7.669 0.316 25667 74 1 . 1 1 330 330 LEU N N 330 120.175 120.175 116.974 3.201 25667 75 1 . 1 1 330 330 LEU HA H 330 4.258 4.258 4.150 0.108 25667 76 1 . 1 1 330 330 LEU C C 330 178.078 178.078 177.582 0.496 25667 77 1 . 1 1 330 330 LEU CA C 330 56.445 56.445 56.096 0.349 25667 78 1 . 1 1 330 330 LEU CB C 330 41.810 41.810 41.882 -0.072 25667 79 1 . 1 1 330 330 LEU H H 330 7.900 7.900 7.491 0.409 25667 80 1 . 1 1 331 331 GLN N N 331 120.194 120.194 117.348 2.846 25667 81 1 . 1 1 331 331 GLN HA H 331 4.071 4.071 4.250 -0.179 25667 82 1 . 1 1 331 331 GLN CA C 331 56.131 56.131 55.665 0.466 25667 83 1 . 1 1 331 331 GLN CB C 331 29.094 29.094 28.693 0.401 25667 84 1 . 1 1 331 331 GLN H H 331 8.310 8.310 7.500 0.810 25667 85 1 . 1 1 332 332 SER N N 332 115.944 115.944 116.810 -0.866 25667 86 1 . 1 1 332 332 SER HA H 332 4.421 4.421 4.304 0.117 25667 87 1 . 1 1 332 332 SER H H 332 8.245 8.245 8.357 -0.112 25667 88 1 . 1 1 333 333 SER N N 333 117.327 117.327 118.066 -0.739 25667 89 1 . 1 1 333 333 SER C C 333 174.661 174.661 173.736 0.925 25667 90 1 . 1 1 333 333 SER H H 333 8.143 8.143 7.915 0.228 25667 91 1 . 1 1 334 334 TRP N N 334 123.002 123.002 125.224 -2.222 25667 92 1 . 1 1 334 334 TRP HA H 334 4.646 4.646 4.900 -0.254 25667 93 1 . 1 1 334 334 TRP C C 334 176.928 176.928 175.327 1.601 25667 94 1 . 1 1 334 334 TRP CA C 334 56.099 56.099 56.621 -0.522 25667 95 1 . 1 1 334 334 TRP CB C 334 31.916 31.916 30.601 1.315 25667 96 1 . 1 1 334 334 TRP H H 334 8.092 8.092 8.215 -0.123 25667 97 1 . 1 1 335 335 ASP N N 335 119.016 119.016 121.284 -2.268 25667 98 1 . 1 1 335 335 ASP HA H 335 4.416 4.416 4.577 -0.161 25667 99 1 . 1 1 335 335 ASP C C 335 176.300 176.300 175.935 0.365 25667 100 1 . 1 1 335 335 ASP CA C 335 54.354 54.354 54.870 -0.516 25667 101 1 . 1 1 335 335 ASP CB C 335 40.572 40.572 41.745 -1.173 25667 102 1 . 1 1 335 335 ASP H H 335 8.205 8.205 8.664 -0.459 25667 103 1 . 1 1 336 336 MET N N 336 120.419 120.419 118.359 2.060 25667 104 1 . 1 1 336 336 MET HA H 336 3.988 3.988 4.650 -0.662 25667 105 1 . 1 1 336 336 MET C C 336 175.707 175.707 176.656 -0.949 25667 106 1 . 1 1 336 336 MET CA C 336 55.159 55.159 56.560 -1.401 25667 107 1 . 1 1 336 336 MET CB C 336 31.874 31.874 33.537 -1.663 25667 108 1 . 1 1 336 336 MET H H 336 8.063 8.063 8.032 0.031 25667 109 1 . 1 1 337 337 MET N N 337 119.862 119.862 118.773 1.089 25667 110 1 . 1 1 337 337 MET HA H 337 4.678 4.678 4.553 0.125 25667 111 1 . 1 1 337 337 MET C C 337 177.451 177.451 177.276 0.175 25667 112 1 . 1 1 337 337 MET CA C 337 56.106 56.106 55.998 0.108 25667 113 1 . 1 1 337 337 MET CB C 337 32.013 32.013 32.210 -0.197 25667 114 1 . 1 1 337 337 MET H H 337 8.346 8.346 8.308 0.038 25667 115 1 . 1 1 338 338 GLY N N 338 109.026 109.026 107.284 1.742 25667 116 1 . 1 1 338 338 GLY C C 338 174.731 174.731 175.146 -0.415 25667 117 1 . 1 1 338 338 GLY CA C 338 45.575 45.575 45.468 0.106 25667 118 1 . 1 1 338 338 GLY H H 338 8.254 8.254 8.672 -0.418 25667 119 1 . 1 1 339 339 MET N N 339 120.118 120.118 120.988 -0.870 25667 120 1 . 1 1 339 339 MET HA H 339 4.410 4.410 4.123 0.287 25667 121 1 . 1 1 339 339 MET C C 339 176.753 176.753 177.356 -0.603 25667 122 1 . 1 1 339 339 MET CA C 339 56.247 56.247 57.815 -1.568 25667 123 1 . 1 1 339 339 MET CB C 339 31.844 31.844 32.384 -0.540 25667 124 1 . 1 1 339 339 MET H H 339 8.068 8.068 7.802 0.266 25667 125 1 . 1 1 340 340 LEU N N 340 122.097 122.097 119.063 3.034 25667 126 1 . 1 1 340 340 LEU HA H 340 4.323 4.323 4.105 0.218 25667 127 1 . 1 1 340 340 LEU CA C 340 55.336 55.336 57.252 -1.916 25667 128 1 . 1 1 340 340 LEU CB C 340 41.950 41.950 40.682 1.268 25667 129 1 . 1 1 340 340 LEU H H 340 8.177 8.177 7.894 0.283 25667 130 1 . 1 1 341 341 ALA N N 341 123.844 123.844 119.722 4.122 25667 131 1 . 1 1 341 341 ALA HA H 341 4.334 4.334 4.202 0.132 25667 132 1 . 1 1 341 341 ALA C C 341 178.324 178.324 178.875 -0.551 25667 133 1 . 1 1 341 341 ALA CA C 341 53.129 53.129 54.340 -1.211 25667 134 1 . 1 1 341 341 ALA CB C 341 18.659 18.659 18.487 0.171 25667 135 1 . 1 1 341 341 ALA H H 341 8.180 8.180 7.584 0.596 25667 136 1 . 1 1 342 342 SER N N 342 113.799 113.799 113.243 0.556 25667 137 1 . 1 1 342 342 SER HA H 342 4.395 4.395 4.441 -0.046 25667 138 1 . 1 1 342 342 SER C C 342 174.975 174.975 176.272 -1.297 25667 139 1 . 1 1 342 342 SER CA C 342 58.511 58.511 60.175 -1.664 25667 140 1 . 1 1 342 342 SER CB C 342 63.372 63.372 63.797 -0.425 25667 141 1 . 1 1 342 342 SER H H 342 8.096 8.096 7.675 0.421 25667 142 1 . 1 1 343 343 GLN N N 343 121.045 121.045 120.232 0.814 25667 143 1 . 1 1 343 343 GLN HA H 343 4.515 4.515 4.265 0.250 25667 144 1 . 1 1 343 343 GLN C C 343 176.230 176.230 177.292 -1.062 25667 145 1 . 1 1 343 343 GLN CA C 343 55.882 55.882 57.484 -1.602 25667 146 1 . 1 1 343 343 GLN CB C 343 29.175 29.175 28.364 0.811 25667 147 1 . 1 1 343 343 GLN H H 343 8.219 8.219 8.095 0.124 25667 148 1 . 1 1 344 344 GLN N N 344 120.302 120.302 117.988 2.314 25667 149 1 . 1 1 344 344 GLN HA H 344 4.398 4.398 4.162 0.236 25667 150 1 . 1 1 344 344 GLN CA C 344 55.771 55.771 57.083 -1.312 25667 151 1 . 1 1 344 344 GLN CB C 344 29.284 29.284 28.943 0.341 25667 152 1 . 1 1 344 344 GLN H H 344 8.238 8.238 7.822 0.416 25667 153 1 . 1 1 345 345 ASN N N 345 119.326 119.326 117.653 1.673 25667 154 1 . 1 1 345 345 ASN HA H 345 4.694 4.694 4.776 -0.082 25667 155 1 . 1 1 345 345 ASN C C 345 175.289 175.289 174.757 0.532 25667 156 1 . 1 1 345 345 ASN CA C 345 53.413 53.413 53.142 0.271 25667 157 1 . 1 1 345 345 ASN CB C 345 38.461 38.461 38.787 -0.325 25667 158 1 . 1 1 345 345 ASN H H 345 8.408 8.408 7.687 0.721 25667 159 1 . 1 1 346 346 GLN N N 346 120.640 120.640 120.966 -0.326 25667 160 1 . 1 1 346 346 GLN HA H 346 4.057 4.057 4.394 -0.337 25667 161 1 . 1 1 346 346 GLN C C 346 176.009 176.009 175.578 0.431 25667 162 1 . 1 1 346 346 GLN CA C 346 55.671 55.671 56.365 -0.694 25667 163 1 . 1 1 346 346 GLN CB C 346 29.049 29.049 29.124 -0.075 25667 164 1 . 1 1 346 346 GLN H H 346 8.366 8.366 8.268 0.098 25667 165 1 . 1 1 347 347 SER N N 347 116.808 116.808 117.730 -0.922 25667 166 1 . 1 1 347 347 SER HA H 347 4.506 4.506 4.557 -0.051 25667 167 1 . 1 1 347 347 SER C C 347 174.595 174.595 174.147 0.448 25667 168 1 . 1 1 347 347 SER CA C 347 58.548 58.548 58.111 0.436 25667 169 1 . 1 1 347 347 SER CB C 347 64.048 64.048 63.167 0.881 25667 170 1 . 1 1 347 347 SER H H 347 8.364 8.364 8.339 0.025 25667 171 1 . 1 1 348 348 GLY N N 348 110.627 110.627 112.029 -1.402 25667 172 1 . 1 1 348 348 GLY H H 348 8.221 8.221 7.967 0.254 25667 173 1 . 1 1 349 349 PRO C C 349 177.497 177.497 176.805 0.693 25667 174 1 . 1 1 349 349 PRO CA C 349 63.262 63.262 63.567 -0.305 25667 175 1 . 1 1 349 349 PRO CB C 349 31.949 31.949 32.180 -0.231 25667 176 1 . 1 1 350 350 SER N N 350 115.992 115.992 114.545 1.446 25667 177 1 . 1 1 350 350 SER C C 350 175.193 175.193 174.382 0.811 25667 178 1 . 1 1 350 350 SER CA C 350 58.568 58.568 58.170 0.398 25667 179 1 . 1 1 350 350 SER CB C 350 63.900 63.900 63.216 0.684 25667 180 1 . 1 1 350 350 SER H H 350 8.474 8.474 7.997 0.476 25667 181 1 . 1 1 351 351 GLY N N 351 110.440 110.440 110.802 -0.362 25667 182 1 . 1 1 351 351 GLY H H 351 8.352 8.352 8.191 0.161 25667 183 1 . 1 1 353 353 ASN CA C 353 53.555 53.555 53.425 0.130 25667 184 1 . 1 1 353 353 ASN CB C 353 38.461 38.461 38.726 -0.265 25667 185 1 . 1 1 354 354 GLN N N 354 120.218 120.218 119.940 0.278 25667 186 1 . 1 1 354 354 GLN HA H 354 4.307 4.307 4.272 0.035 25667 187 1 . 1 1 354 354 GLN C C 354 175.916 175.916 175.231 0.685 25667 188 1 . 1 1 354 354 GLN CA C 354 55.948 55.948 56.135 -0.187 25667 189 1 . 1 1 354 354 GLN CB C 354 29.163 29.163 28.776 0.387 25667 190 1 . 1 1 354 354 GLN H H 354 8.388 8.388 8.369 0.019 25667 191 1 . 1 1 355 355 ASN N N 355 119.285 119.285 119.785 -0.500 25667 192 1 . 1 1 355 355 ASN HA H 355 4.697 4.697 4.709 -0.012 25667 193 1 . 1 1 355 355 ASN C C 355 175.114 175.114 175.191 -0.077 25667 194 1 . 1 1 355 355 ASN CA C 355 53.239 53.239 53.489 -0.250 25667 195 1 . 1 1 355 355 ASN CB C 355 38.581 38.581 38.901 -0.320 25667 196 1 . 1 1 355 355 ASN H H 355 8.457 8.457 8.408 0.049 25667 197 1 . 1 1 356 356 GLN N N 356 119.185 119.185 121.343 -2.158 25667 198 1 . 1 1 356 356 GLN HA H 356 4.776 4.776 4.347 0.429 25667 199 1 . 1 1 356 356 GLN C C 356 176.405 176.405 175.716 0.689 25667 200 1 . 1 1 356 356 GLN CA C 356 55.865 55.865 55.935 -0.070 25667 201 1 . 1 1 356 356 GLN CB C 356 29.239 29.239 28.579 0.660 25667 202 1 . 1 1 356 356 GLN H H 356 8.469 8.469 8.416 0.053 25667 203 1 . 1 1 357 357 GLY N N 357 109.452 109.452 111.469 -2.017 25667 204 1 . 1 1 357 357 GLY C C 357 173.923 173.923 173.579 0.344 25667 205 1 . 1 1 357 357 GLY CA C 357 45.488 45.488 45.025 0.463 25667 206 1 . 1 1 357 357 GLY H H 357 8.424 8.424 8.286 0.138 25667 207 1 . 1 1 358 358 ASN N N 358 118.477 118.477 120.364 -1.888 25667 208 1 . 1 1 358 358 ASN HA H 358 4.736 4.736 4.799 -0.064 25667 209 1 . 1 1 358 358 ASN C C 358 175.184 175.184 175.173 0.011 25667 210 1 . 1 1 358 358 ASN CA C 358 53.406 53.406 52.708 0.698 25667 211 1 . 1 1 358 358 ASN CB C 358 38.470 38.470 38.763 -0.293 25667 212 1 . 1 1 358 358 ASN H H 358 8.295 8.295 8.544 -0.249 25667 213 1 . 1 1 359 359 MET N N 359 120.987 120.987 119.927 1.060 25667 214 1 . 1 1 359 359 MET HA H 359 4.482 4.482 4.487 -0.005 25667 215 1 . 1 1 359 359 MET C C 359 175.289 175.289 175.703 -0.414 25667 216 1 . 1 1 359 359 MET CA C 359 55.358 55.358 55.697 -0.339 25667 217 1 . 1 1 359 359 MET CB C 359 33.212 33.212 31.966 1.246 25667 218 1 . 1 1 359 359 MET H H 359 8.349 8.349 8.397 -0.048 25667 stop_ save_