data_18097 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18097 _Entry.PDB_ID 2LM3 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 18097 _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 3 3 GLU N N 292 122.345 122.345 122.809 -0.464 18097 2 1 1 . 1 1 3 3 GLU HA H 292 3.992 3.992 3.987 0.005 18097 3 1 1 . 1 1 3 3 GLU C C 292 178.218 178.218 177.672 0.546 18097 4 1 1 . 1 1 3 3 GLU CA C 292 58.828 58.828 59.540 -0.712 18097 5 1 1 . 1 1 3 3 GLU H H 292 8.831 8.831 8.520 0.311 18097 6 1 1 . 1 1 4 4 LEU N N 293 121.001 121.001 118.320 2.681 18097 7 1 1 . 1 1 4 4 LEU C C 293 177.175 177.175 177.619 -0.444 18097 8 1 1 . 1 1 4 4 LEU CA C 293 57.044 57.044 57.273 -0.229 18097 9 1 1 . 1 1 4 4 LEU H H 293 7.976 7.976 7.956 0.020 18097 10 1 1 . 1 1 5 5 THR N N 294 113.069 113.069 113.962 -0.893 18097 11 1 1 . 1 1 5 5 THR HA H 294 3.916 3.916 3.714 0.202 18097 12 1 1 . 1 1 5 5 THR C C 294 176.200 176.200 175.387 0.813 18097 13 1 1 . 1 1 5 5 THR CA C 294 66.164 66.164 66.372 -0.208 18097 14 1 1 . 1 1 5 5 THR H H 294 7.535 7.535 7.487 0.048 18097 15 1 1 . 1 1 6 6 ASP N N 295 119.926 119.926 119.773 0.153 18097 16 1 1 . 1 1 6 6 ASP HA H 295 4.085 4.085 4.354 -0.269 18097 17 1 1 . 1 1 6 6 ASP C C 295 177.314 177.314 177.999 -0.685 18097 18 1 1 . 1 1 6 6 ASP CA C 295 56.808 56.808 56.319 0.489 18097 19 1 1 . 1 1 6 6 ASP H H 295 7.530 7.530 7.978 -0.448 18097 20 1 1 . 1 1 7 7 ALA N N 296 121.726 121.726 122.356 -0.630 18097 21 1 1 . 1 1 7 7 ALA HA H 296 4.109 4.109 3.445 0.664 18097 22 1 1 . 1 1 7 7 ALA C C 296 178.659 178.659 179.114 -0.455 18097 23 1 1 . 1 1 7 7 ALA CA C 296 54.655 54.655 53.857 0.798 18097 24 1 1 . 1 1 7 7 ALA H H 296 7.227 7.227 6.990 0.237 18097 25 1 1 . 1 1 8 8 ARG N N 297 112.468 112.468 116.475 -4.007 18097 26 1 1 . 1 1 8 8 ARG C C 297 178.033 178.033 177.954 0.079 18097 27 1 1 . 1 1 8 8 ARG CA C 297 58.424 58.424 57.879 0.545 18097 28 1 1 . 1 1 8 8 ARG H H 297 7.370 7.370 7.325 0.045 18097 29 1 1 . 1 1 9 9 ARG N N 298 118.926 118.926 118.557 0.369 18097 30 1 1 . 1 1 9 9 ARG HA H 298 3.832 3.832 3.906 -0.074 18097 31 1 1 . 1 1 9 9 ARG C C 298 176.827 176.827 176.932 -0.105 18097 32 1 1 . 1 1 9 9 ARG CA C 298 58.289 58.289 58.182 0.107 18097 33 1 1 . 1 1 9 9 ARG H H 298 7.059 7.059 7.102 -0.043 18097 34 1 1 . 1 1 10 10 TYR N N 299 118.201 118.201 116.186 2.015 18097 35 1 1 . 1 1 10 10 TYR HA H 299 4.853 4.853 4.739 0.114 18097 36 1 1 . 1 1 10 10 TYR C C 299 174.832 174.832 174.362 0.470 18097 37 1 1 . 1 1 10 10 TYR CA C 299 56.943 56.943 56.129 0.814 18097 38 1 1 . 1 1 10 10 TYR H H 299 7.800 7.800 7.438 0.362 18097 39 1 1 . 1 1 11 11 TRP N N 300 123.427 123.427 123.310 0.117 18097 40 1 1 . 1 1 11 11 TRP HA H 300 4.577 4.577 5.296 -0.719 18097 41 1 1 . 1 1 11 11 TRP C C 300 177.082 177.082 176.925 0.157 18097 42 1 1 . 1 1 11 11 TRP CA C 300 58.558 58.558 58.386 0.172 18097 43 1 1 . 1 1 11 11 TRP H H 300 7.122 7.122 7.638 -0.516 18097 44 1 1 . 1 1 13 13 ASP N N 302 122.160 122.160 123.845 -1.685 18097 45 1 1 . 1 1 13 13 ASP HA H 302 4.605 4.605 4.748 -0.143 18097 46 1 1 . 1 1 13 13 ASP C C 302 174.786 174.786 175.784 -0.998 18097 47 1 1 . 1 1 13 13 ASP CA C 302 53.005 53.005 53.953 -0.948 18097 48 1 1 . 1 1 13 13 ASP H H 302 8.496 8.496 8.576 -0.080 18097 49 1 1 . 1 1 14 14 VAL N N 303 126.934 126.934 125.407 1.527 18097 50 1 1 . 1 1 14 14 VAL HA H 303 4.096 4.096 4.188 -0.092 18097 51 1 1 . 1 1 14 14 VAL C C 303 174.670 174.670 175.628 -0.958 18097 52 1 1 . 1 1 14 14 VAL CA C 303 62.429 62.429 61.232 1.197 18097 53 1 1 . 1 1 14 14 VAL H H 303 7.877 7.877 8.147 -0.270 18097 54 1 1 . 1 1 15 15 THR N N 304 114.829 114.829 118.253 -3.424 18097 55 1 1 . 1 1 15 15 THR HA H 304 4.536 4.536 4.766 -0.230 18097 56 1 1 . 1 1 15 15 THR C C 304 173.951 173.951 174.168 -0.217 18097 57 1 1 . 1 1 15 15 THR CA C 304 58.592 58.592 60.158 -1.566 18097 58 1 1 . 1 1 15 15 THR H H 304 8.321 8.321 8.253 0.068 18097 59 1 1 . 1 1 16 16 LEU N N 305 121.392 121.392 125.104 -3.712 18097 60 1 1 . 1 1 16 16 LEU HA H 305 4.322 4.322 4.500 -0.178 18097 61 1 1 . 1 1 16 16 LEU C C 305 175.876 175.876 176.684 -0.808 18097 62 1 1 . 1 1 16 16 LEU CA C 305 54.526 54.526 54.894 -0.368 18097 63 1 1 . 1 1 16 16 LEU H H 305 8.967 8.967 8.510 0.457 18097 64 1 1 . 1 1 17 17 ALA N N 306 124.039 124.039 126.096 -2.057 18097 65 1 1 . 1 1 17 17 ALA HA H 306 4.385 4.385 4.749 -0.364 18097 66 1 1 . 1 1 17 17 ALA C C 306 177.360 177.360 176.878 0.482 18097 67 1 1 . 1 1 17 17 ALA CA C 306 50.515 50.515 50.688 -0.173 18097 68 1 1 . 1 1 17 17 ALA H H 306 8.409 8.409 8.286 0.123 18097 69 1 1 . 1 1 18 18 THR N N 307 114.041 114.041 116.176 -2.135 18097 70 1 1 . 1 1 18 18 THR HA H 307 4.398 4.398 4.277 0.121 18097 71 1 1 . 1 1 18 18 THR C C 307 174.206 174.206 173.797 0.409 18097 72 1 1 . 1 1 18 18 THR CA C 307 61.722 61.722 62.459 -0.737 18097 73 1 1 . 1 1 18 18 THR H H 307 8.146 8.146 8.406 -0.260 18097 74 1 1 . 1 1 19 19 ASN N N 308 119.841 119.841 124.103 -4.262 18097 75 1 1 . 1 1 19 19 ASN HA H 308 4.687 4.687 4.812 -0.125 18097 76 1 1 . 1 1 19 19 ASN C C 308 174.577 174.577 174.963 -0.386 18097 77 1 1 . 1 1 19 19 ASN CA C 308 52.871 52.871 52.279 0.592 18097 78 1 1 . 1 1 19 19 ASN H H 308 8.470 8.470 8.448 0.022 18097 79 1 1 . 1 1 38 38 PRO HA H 327 4.207 4.207 4.335 -0.128 18097 80 1 1 . 1 1 38 38 PRO C C 327 176.641 176.641 177.948 -1.307 18097 81 1 1 . 1 1 38 38 PRO CA C 327 63.443 63.443 63.420 0.023 18097 82 1 1 . 1 1 38 38 PRO CB C 327 31.714 31.714 32.077 -0.363 18097 83 1 1 . 1 1 39 39 GLN N N 328 118.424 118.424 118.486 -0.062 18097 84 1 1 . 1 1 39 39 GLN HA H 328 4.111 4.111 4.053 0.058 18097 85 1 1 . 1 1 39 39 GLN C C 328 175.853 175.853 176.166 -0.313 18097 86 1 1 . 1 1 39 39 GLN CA C 328 56.136 56.136 58.398 -2.262 18097 87 1 1 . 1 1 39 39 GLN CB C 328 28.981 28.981 28.600 0.381 18097 88 1 1 . 1 1 39 39 GLN H H 328 8.139 8.139 8.625 -0.486 18097 89 1 1 . 1 1 40 40 ILE N N 329 119.966 119.966 108.961 11.005 18097 90 1 1 . 1 1 40 40 ILE HA H 329 3.998 3.998 4.493 -0.495 18097 91 1 1 . 1 1 40 40 ILE C C 329 175.690 175.690 175.377 0.313 18097 92 1 1 . 1 1 40 40 ILE CA C 329 60.601 60.601 59.436 1.165 18097 93 1 1 . 1 1 40 40 ILE CB C 329 38.274 38.274 37.380 0.894 18097 94 1 1 . 1 1 40 40 ILE H H 329 7.688 7.688 7.806 -0.118 18097 95 1 1 . 1 1 41 41 MET N N 330 123.189 123.189 120.820 2.369 18097 96 1 1 . 1 1 41 41 MET HA H 330 4.286 4.286 3.397 0.889 18097 97 1 1 . 1 1 41 41 MET C C 330 175.389 175.389 174.060 1.329 18097 98 1 1 . 1 1 41 41 MET CA C 330 55.046 55.046 56.199 -1.153 18097 99 1 1 . 1 1 41 41 MET CB C 330 32.499 32.499 31.088 1.411 18097 100 1 1 . 1 1 41 41 MET H H 330 8.044 8.044 7.992 0.052 18097 101 1 1 . 1 1 42 42 TYR N N 331 121.297 121.297 110.096 11.201 18097 102 1 1 . 1 1 42 42 TYR HA H 331 4.398 4.398 4.127 0.271 18097 103 1 1 . 1 1 42 42 TYR C C 331 174.879 174.879 174.847 0.032 18097 104 1 1 . 1 1 42 42 TYR CA C 331 57.599 57.599 58.632 -1.033 18097 105 1 1 . 1 1 42 42 TYR CB C 331 38.825 38.825 35.064 3.761 18097 106 1 1 . 1 1 42 42 TYR H H 331 8.024 8.024 8.096 -0.072 18097 107 1 1 . 1 1 43 43 GLN N N 332 122.431 122.431 117.374 5.057 18097 108 1 1 . 1 1 43 43 GLN HA H 332 4.148 4.148 4.250 -0.102 18097 109 1 1 . 1 1 43 43 GLN C C 332 174.345 174.345 176.172 -1.827 18097 110 1 1 . 1 1 43 43 GLN CA C 332 54.714 54.714 55.441 -0.727 18097 111 1 1 . 1 1 43 43 GLN CB C 332 29.741 29.741 30.283 -0.542 18097 112 1 1 . 1 1 43 43 GLN H H 332 7.894 7.894 7.542 0.352 18097 113 1 1 . 1 1 44 44 ALA N N 333 126.670 126.670 125.981 0.689 18097 114 1 1 . 1 1 44 44 ALA HA H 333 4.367 4.367 4.085 0.282 18097 115 1 1 . 1 1 44 44 ALA C C 333 175.459 175.459 175.506 -0.047 18097 116 1 1 . 1 1 44 44 ALA CA C 333 50.358 50.358 52.093 -1.735 18097 117 1 1 . 1 1 44 44 ALA CB C 333 17.603 17.603 18.332 -0.729 18097 118 1 1 . 1 1 44 44 ALA H H 333 8.141 8.141 7.490 0.651 18097 119 1 1 . 1 1 45 45 PRO HA H 334 4.273 4.273 4.249 0.024 18097 120 1 1 . 1 1 45 45 PRO CA C 334 63.318 63.318 63.371 -0.053 18097 121 1 1 . 1 1 45 45 PRO CB C 334 31.697 31.697 31.636 0.061 18097 122 1 1 . 1 1 46 46 GLY N N 335 109.630 109.630 105.970 3.660 18097 123 1 1 . 1 1 46 46 GLY C C 335 174.322 174.322 174.225 0.097 18097 124 1 1 . 1 1 46 46 GLY CA C 335 45.255 45.255 45.040 0.215 18097 125 1 1 . 1 1 46 46 GLY H H 335 8.478 8.478 7.834 0.644 18097 126 1 1 . 1 1 47 47 THR N N 336 113.015 113.015 119.115 -6.100 18097 127 1 1 . 1 1 47 47 THR HA H 336 4.210 4.210 4.671 -0.461 18097 128 1 1 . 1 1 47 47 THR C C 336 174.067 174.067 174.339 -0.272 18097 129 1 1 . 1 1 47 47 THR CA C 336 61.547 61.547 61.145 0.402 18097 130 1 1 . 1 1 47 47 THR CB C 336 69.516 69.516 69.337 0.179 18097 131 1 1 . 1 1 47 47 THR H H 336 7.734 7.734 8.055 -0.321 18097 132 1 1 . 1 1 48 48 LEU N N 337 123.635 123.635 118.940 4.695 18097 133 1 1 . 1 1 48 48 LEU HA H 337 4.152 4.152 3.566 0.586 18097 134 1 1 . 1 1 48 48 LEU C C 337 176.618 176.618 177.904 -1.286 18097 135 1 1 . 1 1 48 48 LEU CA C 337 55.025 55.025 58.033 -3.008 18097 136 1 1 . 1 1 48 48 LEU CB C 337 42.098 42.098 38.707 3.391 18097 137 1 1 . 1 1 48 48 LEU H H 337 8.087 8.087 7.884 0.203 18097 138 1 1 . 1 1 49 49 PHE N N 338 120.255 120.255 118.163 2.092 18097 139 1 1 . 1 1 49 49 PHE HA H 338 4.496 4.496 4.268 0.228 18097 140 1 1 . 1 1 49 49 PHE C C 338 175.227 175.227 177.356 -2.129 18097 141 1 1 . 1 1 49 49 PHE CA C 338 57.234 57.234 60.025 -2.791 18097 142 1 1 . 1 1 49 49 PHE CB C 338 39.290 39.290 38.846 0.444 18097 143 1 1 . 1 1 49 49 PHE H H 338 8.017 8.017 6.834 1.183 18097 144 1 1 . 1 1 50 50 THR N N 339 115.141 115.141 112.161 2.980 18097 145 1 1 . 1 1 50 50 THR HA H 339 4.137 4.137 4.170 -0.033 18097 146 1 1 . 1 1 50 50 THR C C 339 173.255 173.255 174.426 -1.171 18097 147 1 1 . 1 1 50 50 THR CA C 339 61.244 61.244 64.313 -3.069 18097 148 1 1 . 1 1 50 50 THR CB C 339 69.643 69.643 68.106 1.536 18097 149 1 1 . 1 1 50 50 THR H H 339 7.741 7.741 8.457 -0.716 18097 150 1 1 . 1 1 51 51 PHE N N 340 122.603 122.603 116.028 6.575 18097 151 1 1 . 1 1 51 51 PHE HA H 340 4.571 4.571 4.838 -0.267 18097 152 1 1 . 1 1 51 51 PHE C C 340 173.858 173.858 172.810 1.048 18097 153 1 1 . 1 1 51 51 PHE CA C 340 56.874 56.874 55.567 1.307 18097 154 1 1 . 1 1 51 51 PHE CB C 340 39.250 39.250 38.200 1.050 18097 155 1 1 . 1 1 51 51 PHE H H 340 7.996 7.996 7.544 0.452 18097 156 1 1 . 1 1 52 52 PRO HA H 341 4.278 4.278 4.053 0.225 18097 157 1 1 . 1 1 52 52 PRO CA C 341 63.297 63.297 63.606 -0.309 18097 158 1 1 . 1 1 52 52 PRO CB C 341 31.190 31.190 30.907 0.283 18097 159 1 1 . 1 1 53 53 SER N N 342 114.918 114.918 117.100 -2.182 18097 160 1 1 . 1 1 53 53 SER HA H 342 4.334 4.334 4.267 0.067 18097 161 1 1 . 1 1 53 53 SER C C 342 174.508 174.508 175.419 -0.911 18097 162 1 1 . 1 1 53 53 SER CA C 342 58.019 58.019 60.400 -2.381 18097 163 1 1 . 1 1 53 53 SER CB C 342 63.587 63.587 62.951 0.636 18097 164 1 1 . 1 1 53 53 SER H H 342 8.119 8.119 8.089 0.030 18097 165 1 1 . 1 1 54 54 LEU N N 343 123.426 123.426 116.293 7.133 18097 166 1 1 . 1 1 54 54 LEU HA H 343 4.307 4.307 4.228 0.079 18097 167 1 1 . 1 1 54 54 LEU C C 343 177.314 177.314 177.572 -0.258 18097 168 1 1 . 1 1 54 54 LEU CA C 343 55.224 55.224 55.909 -0.685 18097 169 1 1 . 1 1 54 54 LEU CB C 343 41.934 41.934 41.176 0.758 18097 170 1 1 . 1 1 54 54 LEU H H 343 8.180 8.180 7.523 0.657 18097 171 1 1 . 1 1 55 55 THR N N 344 112.921 112.921 110.136 2.785 18097 172 1 1 . 1 1 55 55 THR HA H 344 4.144 4.144 4.249 -0.105 18097 173 1 1 . 1 1 55 55 THR C C 344 173.928 173.928 174.216 -0.288 18097 174 1 1 . 1 1 55 55 THR CA C 344 61.565 61.565 61.870 -0.305 18097 175 1 1 . 1 1 55 55 THR CB C 344 69.396 69.396 68.694 0.702 18097 176 1 1 . 1 1 55 55 THR H H 344 7.911 7.911 7.390 0.521 18097 177 1 1 . 1 1 56 56 ASN N N 345 119.978 119.978 121.335 -1.357 18097 178 1 1 . 1 1 56 56 ASN HA H 345 4.482 4.482 4.586 -0.104 18097 179 1 1 . 1 1 56 56 ASN C C 345 174.137 174.137 175.946 -1.809 18097 180 1 1 . 1 1 56 56 ASN CA C 345 52.938 52.938 54.985 -2.047 18097 181 1 1 . 1 1 56 56 ASN CB C 345 38.110 38.110 38.661 -0.551 18097 182 1 1 . 1 1 56 56 ASN H H 345 8.097 8.097 7.567 0.530 18097 183 1 1 . 1 1 57 57 PHE N N 346 120.030 120.030 116.459 3.571 18097 184 1 1 . 1 1 57 57 PHE HA H 346 4.482 4.482 4.207 0.275 18097 185 1 1 . 1 1 57 57 PHE C C 346 174.693 174.693 173.356 1.337 18097 186 1 1 . 1 1 57 57 PHE CA C 346 57.381 57.381 59.155 -1.774 18097 187 1 1 . 1 1 57 57 PHE CB C 346 39.313 39.313 37.397 1.916 18097 188 1 1 . 1 1 57 57 PHE H H 346 7.919 7.919 8.851 -0.932 18097 189 1 1 . 1 1 58 58 ASN N N 347 125.759 125.759 115.169 10.590 18097 190 1 1 . 1 1 58 58 ASN CA C 347 57.145 57.145 53.519 3.626 18097 191 1 1 . 1 1 58 58 ASN H H 347 7.656 7.656 7.698 -0.042 18097 192 1 1 . 1 1 64 64 LEU N N 353 120.532 120.532 120.579 -0.047 18097 193 1 1 . 1 1 64 64 LEU HA H 353 4.398 4.398 5.369 -0.971 18097 194 1 1 . 1 1 64 64 LEU C C 353 178.380 178.380 177.242 1.138 18097 195 1 1 . 1 1 64 64 LEU CA C 353 51.933 51.933 52.312 -0.379 18097 196 1 1 . 1 1 64 64 LEU H H 353 8.518 8.518 8.748 -0.230 18097 197 1 1 . 1 1 65 65 GLY N N 354 102.514 102.514 106.686 -4.172 18097 198 1 1 . 1 1 65 65 GLY C C 354 172.884 172.884 174.628 -1.744 18097 199 1 1 . 1 1 65 65 GLY CA C 354 44.491 44.491 45.025 -0.534 18097 200 1 1 . 1 1 65 65 GLY H H 354 8.051 8.051 8.110 -0.059 18097 201 1 1 . 1 1 66 66 SER N N 355 113.869 113.869 113.535 0.334 18097 202 1 1 . 1 1 66 66 SER HA H 355 4.015 4.015 4.280 -0.265 18097 203 1 1 . 1 1 66 66 SER C C 355 174.276 174.276 174.988 -0.712 18097 204 1 1 . 1 1 66 66 SER CA C 355 59.770 59.770 59.592 0.178 18097 205 1 1 . 1 1 66 66 SER H H 355 8.724 8.724 8.483 0.241 18097 206 1 1 . 1 1 67 67 GLN N N 356 121.985 121.985 120.792 1.193 18097 207 1 1 . 1 1 67 67 GLN HA H 356 4.474 4.474 4.639 -0.165 18097 208 1 1 . 1 1 67 67 GLN C C 356 173.905 173.905 174.680 -0.775 18097 209 1 1 . 1 1 67 67 GLN CA C 356 54.655 54.655 54.623 0.032 18097 210 1 1 . 1 1 67 67 GLN H H 356 7.995 7.995 8.019 -0.024 18097 211 1 1 . 1 1 68 68 SER N N 357 118.695 118.695 117.339 1.356 18097 212 1 1 . 1 1 68 68 SER HA H 357 4.852 4.852 3.663 1.189 18097 213 1 1 . 1 1 68 68 SER C C 357 173.835 173.835 173.606 0.229 18097 214 1 1 . 1 1 68 68 SER CA C 357 56.472 56.472 56.702 -0.230 18097 215 1 1 . 1 1 68 68 SER H H 357 8.145 8.145 8.504 -0.359 18097 216 1 1 . 1 1 69 69 ILE N N 358 123.370 123.370 121.940 1.430 18097 217 1 1 . 1 1 69 69 ILE C C 358 175.018 175.018 174.585 0.433 18097 218 1 1 . 1 1 69 69 ILE CA C 358 60.780 60.780 60.611 0.169 18097 219 1 1 . 1 1 69 69 ILE H H 358 8.813 8.813 8.134 0.679 18097 220 1 1 . 1 1 70 70 THR N N 359 113.324 113.324 116.720 -3.396 18097 221 1 1 . 1 1 70 70 THR HA H 359 3.967 3.967 3.433 0.534 18097 222 1 1 . 1 1 70 70 THR C C 359 172.026 172.026 173.002 -0.976 18097 223 1 1 . 1 1 70 70 THR CA C 359 59.366 59.366 59.926 -0.560 18097 224 1 1 . 1 1 70 70 THR H H 359 8.250 8.250 8.394 -0.144 18097 225 1 1 . 1 1 71 71 SER N N 360 111.494 111.494 114.058 -2.564 18097 226 1 1 . 1 1 71 71 SER HA H 360 4.085 4.085 4.441 -0.356 18097 227 1 1 . 1 1 71 71 SER C C 360 173.835 173.835 173.591 0.244 18097 228 1 1 . 1 1 71 71 SER CA C 360 57.818 57.818 58.382 -0.564 18097 229 1 1 . 1 1 71 71 SER H H 360 6.964 6.964 7.020 -0.056 18097 230 1 1 . 1 1 72 72 GLY N N 361 112.909 112.909 108.295 4.614 18097 231 1 1 . 1 1 72 72 GLY C C 361 171.400 171.400 172.502 -1.102 18097 232 1 1 . 1 1 72 72 GLY CA C 361 45.265 45.265 44.894 0.371 18097 233 1 1 . 1 1 72 72 GLY H H 361 10.408 10.408 8.601 1.807 18097 234 1 1 . 1 1 73 73 LYS N N 362 118.005 118.005 120.387 -2.382 18097 235 1 1 . 1 1 73 73 LYS C C 362 175.366 175.366 175.563 -0.197 18097 236 1 1 . 1 1 73 73 LYS CA C 362 54.621 54.621 55.290 -0.669 18097 237 1 1 . 1 1 73 73 LYS H H 362 7.310 7.310 8.052 -0.742 18097 238 1 1 . 1 1 74 74 HIS N N 363 118.405 118.405 119.362 -0.957 18097 239 1 1 . 1 1 74 74 HIS HA H 363 4.880 4.880 5.385 -0.505 18097 240 1 1 . 1 1 74 74 HIS C C 363 172.467 172.467 173.458 -0.991 18097 241 1 1 . 1 1 74 74 HIS CA C 363 56.371 56.371 55.038 1.333 18097 242 1 1 . 1 1 74 74 HIS H H 363 8.399 8.399 8.687 -0.288 18097 243 1 1 . 1 1 75 75 TYR N N 364 125.182 125.182 124.076 1.106 18097 244 1 1 . 1 1 75 75 TYR C C 364 172.852 172.852 172.976 -0.124 18097 245 1 1 . 1 1 75 75 TYR CA C 364 55.361 55.361 56.275 -0.914 18097 246 1 1 . 1 1 75 75 TYR H H 364 8.153 8.153 8.791 -0.638 18097 247 1 1 . 1 1 76 76 TRP N N 365 123.210 123.210 124.040 -0.830 18097 248 1 1 . 1 1 76 76 TRP C C 365 171.510 171.510 172.883 -1.373 18097 249 1 1 . 1 1 76 76 TRP CA C 365 57.549 57.549 55.713 1.836 18097 250 1 1 . 1 1 76 76 TRP H H 365 7.621 7.621 7.583 0.038 18097 251 1 1 . 1 1 78 78 VAL N N 367 122.416 122.416 121.833 0.583 18097 252 1 1 . 1 1 78 78 VAL HA H 367 4.756 4.756 4.745 0.011 18097 253 1 1 . 1 1 78 78 VAL C C 367 174.461 174.461 174.151 0.310 18097 254 1 1 . 1 1 78 78 VAL CA C 367 60.208 60.208 60.911 -0.703 18097 255 1 1 . 1 1 78 78 VAL H H 367 8.910 8.910 8.953 -0.043 18097 256 1 1 . 1 1 79 79 ASP N N 368 128.257 128.257 128.230 0.027 18097 257 1 1 . 1 1 79 79 ASP C C 368 175.343 175.343 175.356 -0.013 18097 258 1 1 . 1 1 79 79 ASP CA C 368 53.914 53.914 53.042 0.872 18097 259 1 1 . 1 1 79 79 ASP H H 368 9.795 9.795 9.135 0.660 18097 260 1 1 . 1 1 80 80 VAL N N 369 118.519 118.519 121.367 -2.848 18097 261 1 1 . 1 1 80 80 VAL C C 369 176.131 176.131 175.193 0.938 18097 262 1 1 . 1 1 80 80 VAL CA C 369 59.027 59.027 59.663 -0.636 18097 263 1 1 . 1 1 80 80 VAL H H 369 8.394 8.394 7.765 0.629 18097 264 1 1 . 1 1 81 81 SER N N 370 123.584 123.584 120.247 3.337 18097 265 1 1 . 1 1 81 81 SER C C 370 174.829 174.829 175.055 -0.226 18097 266 1 1 . 1 1 81 81 SER CA C 370 61.285 61.285 59.329 1.956 18097 267 1 1 . 1 1 81 81 SER H H 370 8.754 8.754 8.455 0.299 18097 268 1 1 . 1 1 82 82 LYS N N 371 115.025 115.025 120.221 -5.196 18097 269 1 1 . 1 1 82 82 LYS C C 371 175.922 175.922 175.705 0.217 18097 270 1 1 . 1 1 82 82 LYS CA C 371 58.222 58.222 57.867 0.355 18097 271 1 1 . 1 1 82 82 LYS H H 371 8.789 8.789 8.908 -0.119 18097 272 1 1 . 1 1 83 83 LYS N N 372 117.904 117.904 119.791 -1.887 18097 273 1 1 . 1 1 83 83 LYS C C 372 177.824 177.824 177.363 0.461 18097 274 1 1 . 1 1 83 83 LYS CA C 372 57.784 57.784 56.261 1.523 18097 275 1 1 . 1 1 83 83 LYS H H 372 7.825 7.825 7.527 0.298 18097 276 1 1 . 1 1 84 84 SER N N 373 122.569 122.569 116.718 5.851 18097 277 1 1 . 1 1 84 84 SER HA H 373 4.348 4.348 4.502 -0.154 18097 278 1 1 . 1 1 84 84 SER C C 373 172.270 172.270 173.043 -0.773 18097 279 1 1 . 1 1 84 84 SER CA C 373 58.996 58.996 58.009 0.987 18097 280 1 1 . 1 1 84 84 SER H H 373 9.839 9.839 8.624 1.215 18097 281 1 1 . 1 1 85 85 ALA N N 374 120.821 120.821 121.004 -0.183 18097 282 1 1 . 1 1 85 85 ALA C C 374 174.253 174.253 174.817 -0.564 18097 283 1 1 . 1 1 85 85 ALA CA C 374 51.020 51.020 51.642 -0.622 18097 284 1 1 . 1 1 85 85 ALA H H 374 7.130 7.130 7.391 -0.261 18097 285 1 1 . 1 1 86 86 TRP N N 375 109.378 109.378 116.006 -6.628 18097 286 1 1 . 1 1 86 86 TRP C C 375 176.096 176.096 173.271 2.825 18097 287 1 1 . 1 1 86 86 TRP CA C 375 56.909 56.909 56.488 0.421 18097 288 1 1 . 1 1 86 86 TRP H H 375 7.876 7.876 7.656 0.220 18097 289 1 1 . 1 1 87 87 ILE N N 376 118.409 118.409 121.643 -3.234 18097 290 1 1 . 1 1 87 87 ILE C C 376 175.405 175.405 174.821 0.584 18097 291 1 1 . 1 1 87 87 ILE CA C 376 60.679 60.679 59.873 0.806 18097 292 1 1 . 1 1 87 87 ILE H H 376 9.270 9.270 9.151 0.119 18097 293 1 1 . 1 1 88 88 LEU N N 377 122.952 122.952 121.940 1.012 18097 294 1 1 . 1 1 88 88 LEU C C 377 174.967 174.967 175.959 -0.992 18097 295 1 1 . 1 1 88 88 LEU CA C 377 54.520 54.520 53.212 1.308 18097 296 1 1 . 1 1 88 88 LEU H H 377 9.422 9.422 8.650 0.772 18097 297 1 1 . 1 1 89 89 GLY N N 378 103.446 103.446 108.225 -4.779 18097 298 1 1 . 1 1 89 89 GLY C C 378 171.976 171.976 172.594 -0.618 18097 299 1 1 . 1 1 89 89 GLY CA C 378 47.251 47.251 46.793 0.458 18097 300 1 1 . 1 1 89 89 GLY H H 378 8.366 8.366 8.729 -0.363 18097 301 1 1 . 1 1 90 90 VAL N N 379 130.348 130.348 121.272 9.076 18097 302 1 1 . 1 1 90 90 VAL HA H 379 4.164 4.164 5.207 -1.043 18097 303 1 1 . 1 1 90 90 VAL C C 379 172.847 172.847 174.077 -1.230 18097 304 1 1 . 1 1 90 90 VAL CA C 379 60.477 60.477 61.795 -1.318 18097 305 1 1 . 1 1 90 90 VAL H H 379 9.224 9.224 8.410 0.814 18097 306 1 1 . 1 1 91 91 CYS N N 380 122.658 122.658 123.489 -0.831 18097 307 1 1 . 1 1 91 91 CYS C C 380 173.630 173.630 173.714 -0.084 18097 308 1 1 . 1 1 91 91 CYS CA C 380 55.429 55.429 55.078 0.351 18097 309 1 1 . 1 1 91 91 CYS H H 380 9.398 9.398 9.343 0.055 18097 310 1 1 . 1 1 92 92 ALA N N 381 127.998 127.998 125.045 2.953 18097 311 1 1 . 1 1 92 92 ALA HA H 381 5.049 5.049 5.085 -0.036 18097 312 1 1 . 1 1 92 92 ALA C C 381 176.479 176.479 176.361 0.118 18097 313 1 1 . 1 1 92 92 ALA CA C 381 52.400 52.400 51.222 1.178 18097 314 1 1 . 1 1 92 92 ALA H H 381 9.478 9.478 7.993 1.485 18097 315 1 1 . 1 1 93 93 GLY N N 382 108.533 108.533 105.686 2.847 18097 316 1 1 . 1 1 93 93 GLY C C 382 173.580 173.580 172.992 0.588 18097 317 1 1 . 1 1 93 93 GLY CA C 382 43.212 43.212 44.217 -1.005 18097 318 1 1 . 1 1 93 93 GLY H H 382 8.194 8.194 7.245 0.949 18097 319 1 1 . 1 1 94 94 PHE N N 383 116.476 116.476 118.422 -1.946 18097 320 1 1 . 1 1 94 94 PHE HA H 383 4.536 4.536 4.953 -0.417 18097 321 1 1 . 1 1 94 94 PHE C C 383 178.079 178.079 176.842 1.237 18097 322 1 1 . 1 1 94 94 PHE CA C 383 56.627 56.627 56.399 0.228 18097 323 1 1 . 1 1 94 94 PHE H H 383 8.290 8.290 8.247 0.043 18097 324 1 1 . 1 1 105 105 ASN N N 394 112.033 112.033 114.961 -2.928 18097 325 1 1 . 1 1 105 105 ASN HA H 394 4.715 4.715 4.862 -0.147 18097 326 1 1 . 1 1 105 105 ASN C C 394 173.835 173.835 173.848 -0.013 18097 327 1 1 . 1 1 105 105 ASN CA C 394 51.929 51.929 51.816 0.114 18097 328 1 1 . 1 1 105 105 ASN H H 394 6.912 6.912 7.543 -0.631 18097 329 1 1 . 1 1 106 106 GLU N N 395 117.585 117.585 116.306 1.279 18097 330 1 1 . 1 1 106 106 GLU C C 395 175.574 175.574 175.023 0.551 18097 331 1 1 . 1 1 106 106 GLU CA C 395 56.808 56.808 57.021 -0.213 18097 332 1 1 . 1 1 106 106 GLU H H 395 7.354 7.354 7.650 -0.296 18097 333 1 1 . 1 1 107 107 ASN N N 396 118.664 118.664 118.166 0.498 18097 334 1 1 . 1 1 107 107 ASN HA H 396 4.536 4.536 4.656 -0.120 18097 335 1 1 . 1 1 107 107 ASN C C 396 173.441 173.441 173.675 -0.234 18097 336 1 1 . 1 1 107 107 ASN CA C 396 50.448 50.448 51.533 -1.085 18097 337 1 1 . 1 1 107 107 ASN H H 396 8.082 8.082 7.515 0.567 18097 338 1 1 . 1 1 108 108 TYR N N 397 117.301 117.301 120.798 -3.497 18097 339 1 1 . 1 1 108 108 TYR HA H 397 4.605 4.605 3.896 0.709 18097 340 1 1 . 1 1 108 108 TYR C C 397 173.186 173.186 174.718 -1.532 18097 341 1 1 . 1 1 108 108 TYR CA C 397 55.530 55.530 58.270 -2.740 18097 342 1 1 . 1 1 108 108 TYR H H 397 6.101 6.101 7.168 -1.067 18097 343 1 1 . 1 1 109 109 GLN N N 398 114.934 114.934 120.910 -5.976 18097 344 1 1 . 1 1 109 109 GLN C C 398 175.064 175.064 174.069 0.995 18097 345 1 1 . 1 1 109 109 GLN CA C 398 53.241 53.241 52.765 0.476 18097 346 1 1 . 1 1 109 109 GLN H H 398 6.115 6.115 8.369 -2.254 18097 347 1 1 . 1 1 111 111 LYS N N 400 120.723 120.723 115.459 5.264 18097 348 1 1 . 1 1 111 111 LYS HA H 400 4.068 4.068 3.981 0.087 18097 349 1 1 . 1 1 111 111 LYS C C 400 177.244 177.244 177.067 0.177 18097 350 1 1 . 1 1 111 111 LYS CA C 400 58.289 58.289 58.009 0.280 18097 351 1 1 . 1 1 111 111 LYS H H 400 10.775 10.775 8.033 2.742 18097 352 1 1 . 1 1 112 112 TYR N N 401 120.182 120.182 116.615 3.567 18097 353 1 1 . 1 1 112 112 TYR HA H 401 3.612 3.612 4.501 -0.889 18097 354 1 1 . 1 1 112 112 TYR C C 401 175.853 175.853 175.524 0.329 18097 355 1 1 . 1 1 112 112 TYR CA C 401 53.847 53.847 56.227 -2.380 18097 356 1 1 . 1 1 112 112 TYR H H 401 7.647 7.647 7.495 0.152 18097 357 1 1 . 1 1 113 113 GLY N N 402 107.764 107.764 107.031 0.733 18097 358 1 1 . 1 1 113 113 GLY C C 402 171.679 171.679 172.394 -0.715 18097 359 1 1 . 1 1 113 113 GLY CA C 402 45.972 45.972 44.745 1.227 18097 360 1 1 . 1 1 113 113 GLY H H 402 8.057 8.057 7.087 0.970 18097 361 1 1 . 1 1 114 114 TYR N N 403 115.659 115.659 118.464 -2.805 18097 362 1 1 . 1 1 114 114 TYR C C 403 173.013 173.013 174.835 -1.822 18097 363 1 1 . 1 1 114 114 TYR CA C 403 57.515 57.515 56.685 0.830 18097 364 1 1 . 1 1 114 114 TYR H H 403 6.585 6.585 7.046 -0.461 18097 365 1 1 . 1 1 115 115 TRP N N 404 125.437 125.437 126.982 -1.545 18097 366 1 1 . 1 1 115 115 TRP C C 404 175.405 175.405 174.711 0.694 18097 367 1 1 . 1 1 115 115 TRP CA C 404 57.650 57.650 55.721 1.929 18097 368 1 1 . 1 1 115 115 TRP H H 404 8.420 8.420 9.068 -0.647 18097 369 1 1 . 1 1 116 116 VAL N N 405 116.317 116.317 116.850 -0.533 18097 370 1 1 . 1 1 116 116 VAL C C 405 174.368 174.368 173.989 0.379 18097 371 1 1 . 1 1 116 116 VAL CA C 405 58.525 58.525 59.754 -1.229 18097 372 1 1 . 1 1 116 116 VAL H H 405 9.825 9.825 7.752 2.073 18097 373 1 1 . 1 1 117 117 ILE N N 406 110.464 110.464 114.802 -4.338 18097 374 1 1 . 1 1 117 117 ILE C C 406 174.879 174.879 174.837 0.042 18097 375 1 1 . 1 1 117 117 ILE CA C 406 58.929 58.929 58.533 0.396 18097 376 1 1 . 1 1 117 117 ILE H H 406 8.268 8.268 8.504 -0.236 18097 377 1 1 . 1 1 118 118 GLY N N 407 105.424 105.424 108.415 -2.991 18097 378 1 1 . 1 1 118 118 GLY C C 407 169.418 169.418 170.963 -1.545 18097 379 1 1 . 1 1 118 118 GLY CA C 407 45.770 45.770 43.707 2.063 18097 380 1 1 . 1 1 118 118 GLY H H 407 9.115 9.115 8.901 0.214 18097 381 1 1 . 1 1 119 119 LEU N N 408 118.628 118.628 119.905 -1.277 18097 382 1 1 . 1 1 119 119 LEU C C 408 176.224 176.224 173.930 2.294 18097 383 1 1 . 1 1 119 119 LEU CA C 408 52.265 52.265 52.437 -0.172 18097 384 1 1 . 1 1 119 119 LEU H H 408 7.892 7.892 7.404 0.488 18097 385 1 1 . 1 1 120 120 GLN N N 409 123.541 123.541 124.148 -0.607 18097 386 1 1 . 1 1 120 120 GLN HA H 409 4.233 4.233 4.721 -0.488 18097 387 1 1 . 1 1 120 120 GLN C C 409 173.000 173.000 175.178 -2.178 18097 388 1 1 . 1 1 120 120 GLN CA C 409 54.284 54.284 54.608 -0.324 18097 389 1 1 . 1 1 120 120 GLN H H 409 8.375 8.375 8.451 -0.076 18097 390 1 1 . 1 1 121 121 GLU N N 410 117.179 117.179 120.611 -3.432 18097 391 1 1 . 1 1 121 121 GLU C C 410 176.800 176.800 176.352 0.448 18097 392 1 1 . 1 1 121 121 GLU CA C 410 56.809 56.809 57.196 -0.387 18097 393 1 1 . 1 1 121 121 GLU H H 410 8.864 8.864 9.168 -0.304 18097 394 1 1 . 1 1 125 125 TYR N N 414 128.783 128.783 124.082 4.701 18097 395 1 1 . 1 1 125 125 TYR HA H 414 5.192 5.192 5.376 -0.184 18097 396 1 1 . 1 1 125 125 TYR C C 414 176.827 176.827 176.226 0.601 18097 397 1 1 . 1 1 125 125 TYR CA C 414 57.212 57.212 57.825 -0.613 18097 398 1 1 . 1 1 125 125 TYR H H 414 9.145 9.145 8.495 0.650 18097 399 1 1 . 1 1 126 126 SER N N 415 117.388 117.388 114.701 2.687 18097 400 1 1 . 1 1 126 126 SER HA H 415 5.049 5.049 5.114 -0.065 18097 401 1 1 . 1 1 126 126 SER C C 415 170.913 170.913 172.083 -1.170 18097 402 1 1 . 1 1 126 126 SER CA C 415 57.482 57.482 58.085 -0.603 18097 403 1 1 . 1 1 126 126 SER H H 415 9.192 9.192 9.143 0.049 18097 404 1 1 . 1 1 127 127 VAL N N 416 119.557 119.557 121.544 -1.987 18097 405 1 1 . 1 1 127 127 VAL C C 416 172.653 172.653 173.812 -1.159 18097 406 1 1 . 1 1 127 127 VAL CA C 416 59.703 59.703 59.362 0.341 18097 407 1 1 . 1 1 127 127 VAL H H 416 8.761 8.761 8.775 -0.014 18097 408 1 1 . 1 1 128 128 PHE N N 417 127.341 127.341 129.418 -2.077 18097 409 1 1 . 1 1 128 128 PHE HA H 417 4.267 4.267 4.639 -0.372 18097 410 1 1 . 1 1 128 128 PHE C C 417 174.925 174.925 174.823 0.102 18097 411 1 1 . 1 1 128 128 PHE CA C 417 58.458 58.458 59.309 -0.851 18097 412 1 1 . 1 1 128 128 PHE H H 417 7.150 7.150 8.415 -1.265 18097 413 1 1 . 1 1 129 129 GLN N N 418 122.834 122.834 121.133 1.701 18097 414 1 1 . 1 1 129 129 GLN HA H 418 4.125 4.125 4.754 -0.629 18097 415 1 1 . 1 1 129 129 GLN C C 418 176.038 176.038 175.061 0.977 18097 416 1 1 . 1 1 129 129 GLN CA C 418 53.679 53.679 53.930 -0.251 18097 417 1 1 . 1 1 129 129 GLN H H 418 8.693 8.693 7.720 0.973 18097 418 1 1 . 1 1 130 130 ASP N N 419 119.994 119.994 120.369 -0.375 18097 419 1 1 . 1 1 130 130 ASP HA H 419 4.964 4.964 4.692 0.272 18097 420 1 1 . 1 1 130 130 ASP C C 419 178.218 178.218 176.701 1.517 18097 421 1 1 . 1 1 130 130 ASP CA C 419 54.991 54.991 55.428 -0.437 18097 422 1 1 . 1 1 130 130 ASP H H 419 8.425 8.425 8.503 -0.078 18097 423 1 1 . 1 1 131 131 GLY N N 420 107.499 107.499 109.204 -1.705 18097 424 1 1 . 1 1 131 131 GLY C C 420 174.415 174.415 173.376 1.039 18097 425 1 1 . 1 1 131 131 GLY CA C 420 44.735 44.735 43.801 0.934 18097 426 1 1 . 1 1 131 131 GLY H H 420 8.112 8.112 9.012 -0.900 18097 427 1 1 . 1 1 132 132 SER N N 421 115.128 115.128 114.229 0.899 18097 428 1 1 . 1 1 132 132 SER C C 421 176.177 176.177 176.491 -0.314 18097 429 1 1 . 1 1 132 132 SER CA C 421 57.515 57.515 57.441 0.074 18097 430 1 1 . 1 1 132 132 SER H H 421 8.016 8.016 8.486 -0.470 18097 431 1 1 . 1 1 137 137 PHE N N 426 115.968 115.968 115.753 0.215 18097 432 1 1 . 1 1 137 137 PHE HA H 426 4.525 4.525 4.591 -0.066 18097 433 1 1 . 1 1 137 137 PHE C C 426 173.511 173.511 175.028 -1.517 18097 434 1 1 . 1 1 137 137 PHE CA C 426 56.707 56.707 57.680 -0.973 18097 435 1 1 . 1 1 137 137 PHE H H 426 7.817 7.817 7.663 0.154 18097 436 1 1 . 1 1 138 138 ALA N N 427 124.435 124.435 121.101 3.334 18097 437 1 1 . 1 1 138 138 ALA HA H 427 4.219 4.219 4.850 -0.631 18097 438 1 1 . 1 1 138 138 ALA C C 427 173.835 173.835 174.317 -0.482 18097 439 1 1 . 1 1 138 138 ALA CA C 427 48.933 48.933 49.462 -0.529 18097 440 1 1 . 1 1 138 138 ALA H H 427 7.451 7.451 7.648 -0.197 18097 441 1 1 . 1 1 140 140 PHE N N 429 122.819 122.819 121.938 0.881 18097 442 1 1 . 1 1 140 140 PHE HA H 429 4.795 4.795 4.743 0.052 18097 443 1 1 . 1 1 140 140 PHE C C 429 173.232 173.232 174.716 -1.484 18097 444 1 1 . 1 1 140 140 PHE CA C 429 55.556 55.556 55.770 -0.214 18097 445 1 1 . 1 1 140 140 PHE H H 429 8.009 8.009 8.105 -0.096 18097 446 1 1 . 1 1 141 141 ILE N N 430 127.916 127.916 125.025 2.891 18097 447 1 1 . 1 1 141 141 ILE HA H 430 3.992 3.992 3.694 0.298 18097 448 1 1 . 1 1 141 141 ILE C C 430 175.459 175.459 175.450 0.009 18097 449 1 1 . 1 1 141 141 ILE CA C 430 60.443 60.443 62.238 -1.795 18097 450 1 1 . 1 1 141 141 ILE H H 430 8.069 8.069 7.663 0.406 18097 451 1 1 . 1 1 142 142 VAL N N 431 131.283 131.283 128.159 3.124 18097 452 1 1 . 1 1 142 142 VAL HA H 431 4.261 4.261 4.330 -0.069 18097 453 1 1 . 1 1 142 142 VAL C C 431 173.580 173.580 173.770 -0.190 18097 454 1 1 . 1 1 142 142 VAL CA C 431 58.828 58.828 58.763 0.065 18097 455 1 1 . 1 1 142 142 VAL H H 431 8.332 8.332 8.156 0.176 18097 456 1 1 . 1 1 145 145 SER N N 434 121.965 121.965 118.893 3.072 18097 457 1 1 . 1 1 145 145 SER C C 434 174.529 174.529 174.047 0.482 18097 458 1 1 . 1 1 145 145 SER H H 434 8.546 8.546 8.596 -0.050 18097 459 1 1 . 1 1 149 149 CYS N N 438 126.863 126.863 127.612 -0.749 18097 460 1 1 . 1 1 149 149 CYS C C 438 173.441 173.441 173.169 0.272 18097 461 1 1 . 1 1 149 149 CYS CA C 438 58.256 58.256 59.362 -1.106 18097 462 1 1 . 1 1 149 149 CYS H H 438 8.557 8.557 8.571 -0.014 18097 463 1 1 . 1 1 151 151 ASP N N 440 123.283 123.283 120.656 2.627 18097 464 1 1 . 1 1 151 151 ASP HA H 440 4.550 4.550 4.776 -0.226 18097 465 1 1 . 1 1 151 151 ASP C C 440 175.505 175.505 175.894 -0.389 18097 466 1 1 . 1 1 151 151 ASP CA C 440 55.227 55.227 54.781 0.446 18097 467 1 1 . 1 1 151 151 ASP H H 440 9.027 9.027 9.127 -0.100 18097 468 1 1 . 1 1 152 152 ARG N N 441 116.407 116.407 118.785 -2.378 18097 469 1 1 . 1 1 152 152 ARG HA H 441 4.316 4.316 4.897 -0.581 18097 470 1 1 . 1 1 152 152 ARG C C 441 173.858 173.858 173.365 0.493 18097 471 1 1 . 1 1 152 152 ARG CA C 441 54.486 54.486 55.859 -1.373 18097 472 1 1 . 1 1 152 152 ARG H H 441 6.962 6.962 7.379 -0.417 18097 473 1 1 . 1 1 153 153 VAL N N 442 123.155 123.155 125.730 -2.575 18097 474 1 1 . 1 1 153 153 VAL C C 442 174.967 174.967 175.113 -0.146 18097 475 1 1 . 1 1 153 153 VAL CA C 442 60.174 60.174 60.212 -0.038 18097 476 1 1 . 1 1 153 153 VAL H H 442 8.689 8.689 8.796 -0.107 18097 477 1 1 . 1 1 154 154 GLY N N 443 114.213 114.213 114.310 -0.097 18097 478 1 1 . 1 1 154 154 GLY C C 443 171.584 171.584 172.481 -0.897 18097 479 1 1 . 1 1 154 154 GLY CA C 443 44.827 44.827 43.550 1.277 18097 480 1 1 . 1 1 154 154 GLY H H 443 9.100 9.100 8.911 0.189 18097 481 1 1 . 1 1 155 155 VAL N N 444 126.435 126.435 125.566 0.869 18097 482 1 1 . 1 1 155 155 VAL HA H 444 4.123 4.123 4.571 -0.448 18097 483 1 1 . 1 1 155 155 VAL C C 444 171.856 171.856 173.592 -1.736 18097 484 1 1 . 1 1 155 155 VAL CA C 444 60.712 60.712 60.365 0.347 18097 485 1 1 . 1 1 155 155 VAL H H 444 8.485 8.485 8.375 0.110 18097 486 1 1 . 1 1 156 156 PHE N N 445 122.110 122.110 128.906 -6.796 18097 487 1 1 . 1 1 156 156 PHE HA H 445 4.580 4.580 5.425 -0.845 18097 488 1 1 . 1 1 156 156 PHE C C 445 174.598 174.598 173.290 1.308 18097 489 1 1 . 1 1 156 156 PHE CA C 445 53.174 53.174 54.855 -1.681 18097 490 1 1 . 1 1 156 156 PHE H H 445 8.441 8.441 8.630 -0.189 18097 491 1 1 . 1 1 157 157 VAL N N 446 130.057 130.057 126.801 3.256 18097 492 1 1 . 1 1 157 157 VAL HA H 446 4.275 4.275 4.684 -0.409 18097 493 1 1 . 1 1 157 157 VAL C C 446 172.086 172.086 173.596 -1.510 18097 494 1 1 . 1 1 157 157 VAL CA C 446 59.837 59.837 60.771 -0.934 18097 495 1 1 . 1 1 157 157 VAL H H 446 9.139 9.139 8.835 0.304 18097 496 1 1 . 1 1 158 158 ASP N N 447 124.791 124.791 128.239 -3.448 18097 497 1 1 . 1 1 158 158 ASP HA H 447 4.491 4.491 4.749 -0.258 18097 498 1 1 . 1 1 158 158 ASP C C 447 176.456 176.456 176.460 -0.004 18097 499 1 1 . 1 1 158 158 ASP CA C 447 51.794 51.794 51.316 0.478 18097 500 1 1 . 1 1 158 158 ASP H H 447 7.608 7.608 8.409 -0.801 18097 501 1 1 . 1 1 159 159 TYR N N 448 125.168 125.168 126.536 -1.368 18097 502 1 1 . 1 1 159 159 TYR HA H 448 3.793 3.793 4.102 -0.309 18097 503 1 1 . 1 1 159 159 TYR C C 448 177.894 177.894 176.794 1.100 18097 504 1 1 . 1 1 159 159 TYR CA C 448 61.688 61.688 62.676 -0.988 18097 505 1 1 . 1 1 159 159 TYR H H 448 8.778 8.778 8.077 0.701 18097 506 1 1 . 1 1 160 160 GLU N N 449 116.788 116.788 116.794 -0.006 18097 507 1 1 . 1 1 160 160 GLU HA H 449 3.967 3.967 4.002 -0.035 18097 508 1 1 . 1 1 160 160 GLU C C 449 178.520 178.520 178.058 0.462 18097 509 1 1 . 1 1 160 160 GLU CA C 449 60.578 60.578 59.228 1.350 18097 510 1 1 . 1 1 160 160 GLU H H 449 8.003 8.003 8.772 -0.769 18097 511 1 1 . 1 1 161 161 ALA N N 450 119.184 119.184 119.022 0.162 18097 512 1 1 . 1 1 161 161 ALA HA H 450 4.026 4.026 4.200 -0.174 18097 513 1 1 . 1 1 161 161 ALA C C 450 176.664 176.664 176.995 -0.331 18097 514 1 1 . 1 1 161 161 ALA CA C 450 51.895 51.895 52.474 -0.579 18097 515 1 1 . 1 1 161 161 ALA H H 450 7.695 7.695 8.369 -0.674 18097 516 1 1 . 1 1 162 162 CYS N N 451 112.485 112.485 115.433 -2.948 18097 517 1 1 . 1 1 162 162 CYS C C 451 173.047 173.047 172.791 0.256 18097 518 1 1 . 1 1 162 162 CYS CA C 451 59.063 59.063 59.595 -0.532 18097 519 1 1 . 1 1 162 162 CYS H H 451 7.880 7.880 8.367 -0.487 18097 520 1 1 . 1 1 163 163 THR N N 452 106.985 106.985 110.382 -3.397 18097 521 1 1 . 1 1 163 163 THR C C 452 173.335 173.335 173.116 0.219 18097 522 1 1 . 1 1 163 163 THR CA C 452 58.727 58.727 59.947 -1.220 18097 523 1 1 . 1 1 163 163 THR H H 452 7.623 7.623 7.415 0.208 18097 524 1 1 . 1 1 164 164 VAL N N 453 119.085 119.085 124.850 -5.765 18097 525 1 1 . 1 1 164 164 VAL C C 453 174.741 174.741 175.077 -0.336 18097 526 1 1 . 1 1 164 164 VAL CA C 453 61.756 61.756 61.212 0.544 18097 527 1 1 . 1 1 164 164 VAL H H 453 7.900 7.900 8.549 -0.649 18097 528 1 1 . 1 1 165 165 SER N N 454 121.792 121.792 122.823 -1.031 18097 529 1 1 . 1 1 165 165 SER C C 454 170.888 170.888 172.969 -2.081 18097 530 1 1 . 1 1 165 165 SER CA C 454 57.482 57.482 57.328 0.154 18097 531 1 1 . 1 1 165 165 SER H H 454 9.034 9.034 8.867 0.167 18097 532 1 1 . 1 1 166 166 PHE N N 455 117.889 117.889 120.567 -2.678 18097 533 1 1 . 1 1 166 166 PHE C C 455 175.064 175.064 174.464 0.600 18097 534 1 1 . 1 1 166 166 PHE CA C 455 55.361 55.361 56.203 -0.842 18097 535 1 1 . 1 1 166 166 PHE H H 455 8.076 8.076 8.830 -0.754 18097 536 1 1 . 1 1 167 167 PHE N N 456 121.297 121.297 121.448 -0.151 18097 537 1 1 . 1 1 167 167 PHE C C 456 175.018 175.018 175.416 -0.398 18097 538 1 1 . 1 1 167 167 PHE CA C 456 56.808 56.808 56.471 0.337 18097 539 1 1 . 1 1 167 167 PHE H H 456 10.023 10.023 9.320 0.703 18097 540 1 1 . 1 1 168 168 ASN N N 457 120.535 120.535 122.442 -1.907 18097 541 1 1 . 1 1 168 168 ASN HA H 457 4.591 4.591 5.114 -0.523 18097 542 1 1 . 1 1 168 168 ASN C C 457 175.157 175.157 176.053 -0.896 18097 543 1 1 . 1 1 168 168 ASN CA C 457 51.659 51.659 50.590 1.069 18097 544 1 1 . 1 1 168 168 ASN H H 457 9.646 9.646 8.921 0.725 18097 545 1 1 . 1 1 169 169 ILE N N 458 124.615 124.615 124.414 0.201 18097 546 1 1 . 1 1 169 169 ILE C C 458 176.548 176.548 177.458 -0.910 18097 547 1 1 . 1 1 169 169 ILE CA C 458 62.698 62.698 63.675 -0.976 18097 548 1 1 . 1 1 169 169 ILE H H 458 7.792 7.792 8.047 -0.255 18097 549 1 1 . 1 1 170 170 THR N N 459 114.704 114.704 112.356 2.348 18097 550 1 1 . 1 1 170 170 THR HA H 459 4.004 4.004 4.050 -0.046 18097 551 1 1 . 1 1 170 170 THR C C 459 173.719 173.719 175.099 -1.380 18097 552 1 1 . 1 1 170 170 THR CA C 459 64.549 64.549 64.949 -0.400 18097 553 1 1 . 1 1 170 170 THR H H 459 7.382 7.382 7.746 -0.364 18097 554 1 1 . 1 1 171 171 ASN N N 460 119.172 119.172 118.926 0.246 18097 555 1 1 . 1 1 171 171 ASN HA H 460 4.770 4.770 4.903 -0.133 18097 556 1 1 . 1 1 171 171 ASN C C 460 173.835 173.835 174.243 -0.408 18097 557 1 1 . 1 1 171 171 ASN CA C 460 49.674 49.674 51.140 -1.466 18097 558 1 1 . 1 1 171 171 ASN H H 460 7.079 7.079 8.489 -1.410 18097 559 1 1 . 1 1 172 172 HIS N N 461 111.334 111.334 116.901 -5.567 18097 560 1 1 . 1 1 172 172 HIS HA H 461 3.942 3.942 4.041 -0.099 18097 561 1 1 . 1 1 172 172 HIS C C 461 174.114 174.114 174.897 -0.783 18097 562 1 1 . 1 1 172 172 HIS CA C 461 57.313 57.313 57.718 -0.405 18097 563 1 1 . 1 1 172 172 HIS H H 461 7.350 7.350 7.786 -0.436 18097 564 1 1 . 1 1 173 173 GLY N N 462 105.400 105.400 105.770 -0.370 18097 565 1 1 . 1 1 173 173 GLY C C 462 173.603 173.603 174.463 -0.860 18097 566 1 1 . 1 1 173 173 GLY CA C 462 47.486 47.486 45.533 1.953 18097 567 1 1 . 1 1 173 173 GLY H H 462 7.818 7.818 7.914 -0.096 18097 568 1 1 . 1 1 174 174 PHE N N 463 120.249 120.249 118.829 1.420 18097 569 1 1 . 1 1 174 174 PHE HA H 463 4.423 4.423 4.538 -0.115 18097 570 1 1 . 1 1 174 174 PHE C C 463 176.502 176.502 176.444 0.058 18097 571 1 1 . 1 1 174 174 PHE CA C 463 57.549 57.549 57.927 -0.378 18097 572 1 1 . 1 1 174 174 PHE H H 463 7.626 7.626 8.077 -0.451 18097 573 1 1 . 1 1 175 175 LEU N N 464 125.969 125.969 125.285 0.684 18097 574 1 1 . 1 1 175 175 LEU C C 464 176.780 176.780 176.302 0.478 18097 575 1 1 . 1 1 175 175 LEU CA C 464 56.068 56.068 56.139 -0.070 18097 576 1 1 . 1 1 175 175 LEU H H 464 8.561 8.561 8.683 -0.122 18097 577 1 1 . 1 1 176 176 ILE N N 465 126.876 126.876 126.628 0.248 18097 578 1 1 . 1 1 176 176 ILE C C 465 175.528 175.528 175.253 0.275 18097 579 1 1 . 1 1 176 176 ILE CA C 465 63.169 63.169 63.641 -0.471 18097 580 1 1 . 1 1 176 176 ILE H H 465 9.330 9.330 8.961 0.369 18097 581 1 1 . 1 1 177 177 TYR N N 466 115.047 115.047 117.721 -2.674 18097 582 1 1 . 1 1 177 177 TYR HA H 466 4.068 4.068 4.630 -0.562 18097 583 1 1 . 1 1 177 177 TYR C C 466 171.006 171.006 172.737 -1.731 18097 584 1 1 . 1 1 177 177 TYR CA C 466 59.097 59.097 57.180 1.917 18097 585 1 1 . 1 1 177 177 TYR H H 466 7.212 7.212 7.531 -0.319 18097 586 1 1 . 1 1 178 178 LYS N N 467 127.911 127.911 124.134 3.777 18097 587 1 1 . 1 1 178 178 LYS C C 467 175.273 175.273 174.378 0.895 18097 588 1 1 . 1 1 178 178 LYS CA C 467 54.520 54.520 55.273 -0.753 18097 589 1 1 . 1 1 178 178 LYS H H 467 6.811 6.811 7.070 -0.259 18097 590 1 1 . 1 1 179 179 PHE N N 468 126.383 126.383 126.572 -0.189 18097 591 1 1 . 1 1 179 179 PHE HA H 468 4.632 4.632 4.766 -0.134 18097 592 1 1 . 1 1 179 179 PHE C C 468 175.336 175.336 174.662 0.674 18097 593 1 1 . 1 1 179 179 PHE CA C 468 58.289 58.289 58.663 -0.374 18097 594 1 1 . 1 1 179 179 PHE H H 468 9.651 9.651 9.483 0.168 18097 595 1 1 . 1 1 180 180 SER N N 469 115.506 115.506 117.012 -1.506 18097 596 1 1 . 1 1 180 180 SER HA H 469 4.837 4.837 4.813 0.024 18097 597 1 1 . 1 1 180 180 SER C C 469 172.861 172.861 173.995 -1.134 18097 598 1 1 . 1 1 180 180 SER CA C 469 56.707 56.707 57.688 -0.980 18097 599 1 1 . 1 1 180 180 SER H H 469 8.485 8.485 8.527 -0.042 18097 600 1 1 . 1 1 181 181 GLN N N 470 117.133 117.133 118.591 -1.458 18097 601 1 1 . 1 1 181 181 GLN HA H 470 3.629 3.629 3.778 -0.149 18097 602 1 1 . 1 1 181 181 GLN C C 470 176.015 176.015 174.681 1.334 18097 603 1 1 . 1 1 181 181 GLN CA C 470 56.472 56.472 56.672 -0.200 18097 604 1 1 . 1 1 181 181 GLN H H 470 9.298 9.298 8.563 0.735 18097 605 1 1 . 1 1 182 182 CYS N N 471 116.032 116.032 118.601 -2.569 18097 606 1 1 . 1 1 182 182 CYS C C 471 175.899 175.899 175.016 0.883 18097 607 1 1 . 1 1 182 182 CYS CA C 471 60.039 60.039 58.905 1.134 18097 608 1 1 . 1 1 182 182 CYS H H 471 7.876 7.876 7.627 0.249 18097 609 1 1 . 1 1 183 183 SER N N 472 118.074 118.074 120.380 -2.306 18097 610 1 1 . 1 1 183 183 SER HA H 472 4.194 4.194 4.428 -0.234 18097 611 1 1 . 1 1 183 183 SER C C 472 174.392 174.392 173.806 0.586 18097 612 1 1 . 1 1 183 183 SER CA C 472 56.337 56.337 58.564 -2.227 18097 613 1 1 . 1 1 183 183 SER H H 472 8.561 8.561 9.049 -0.488 18097 614 1 1 . 1 1 184 184 PHE N N 473 125.605 125.605 126.869 -1.264 18097 615 1 1 . 1 1 184 184 PHE HA H 473 4.825 4.825 4.526 0.299 18097 616 1 1 . 1 1 184 184 PHE C C 473 175.157 175.157 175.800 -0.643 18097 617 1 1 . 1 1 184 184 PHE CA C 473 52.534 52.534 54.844 -2.310 18097 618 1 1 . 1 1 184 184 PHE H H 473 7.275 7.275 8.034 -0.759 18097 619 1 1 . 1 1 188 188 VAL N N 477 111.123 111.123 118.995 -7.872 18097 620 1 1 . 1 1 188 188 VAL C C 477 173.279 173.279 174.053 -0.774 18097 621 1 1 . 1 1 188 188 VAL CA C 477 58.626 58.626 60.103 -1.477 18097 622 1 1 . 1 1 188 188 VAL H H 477 7.959 7.959 7.801 0.158 18097 623 1 1 . 1 1 189 189 PHE N N 478 114.592 114.592 118.738 -4.146 18097 624 1 1 . 1 1 189 189 PHE CA C 478 54.957 54.957 54.350 0.607 18097 625 1 1 . 1 1 189 189 PHE H H 478 8.774 8.774 9.573 -0.799 18097 626 1 1 . 1 1 191 191 TYR N N 480 121.836 121.836 126.462 -4.626 18097 627 1 1 . 1 1 191 191 TYR HA H 480 5.142 5.142 5.114 0.028 18097 628 1 1 . 1 1 191 191 TYR C C 480 174.693 174.693 174.441 0.252 18097 629 1 1 . 1 1 191 191 TYR CA C 480 57.078 57.078 57.166 -0.088 18097 630 1 1 . 1 1 191 191 TYR H H 480 8.356 8.356 8.343 0.013 18097 631 1 1 . 1 1 192 192 LEU N N 481 129.065 129.065 127.415 1.650 18097 632 1 1 . 1 1 192 192 LEU HA H 481 4.605 4.605 4.846 -0.241 18097 633 1 1 . 1 1 192 192 LEU C C 481 174.137 174.137 174.521 -0.384 18097 634 1 1 . 1 1 192 192 LEU CA C 481 55.563 55.563 54.147 1.416 18097 635 1 1 . 1 1 192 192 LEU H H 481 8.261 8.261 7.898 0.363 18097 636 1 1 . 1 1 193 193 ASN N N 482 114.217 114.217 119.275 -5.058 18097 637 1 1 . 1 1 193 193 ASN CA C 482 49.505 49.505 50.567 -1.062 18097 638 1 1 . 1 1 193 193 ASN H H 482 8.007 8.007 8.142 -0.135 18097 639 1 1 . 1 1 198 198 THR N N 487 121.563 121.563 122.605 -1.042 18097 640 1 1 . 1 1 198 198 THR HA H 487 4.044 4.044 4.068 -0.024 18097 641 1 1 . 1 1 198 198 THR C C 487 174.206 174.206 174.094 0.112 18097 642 1 1 . 1 1 198 198 THR CA C 487 63.203 63.203 64.275 -1.072 18097 643 1 1 . 1 1 198 198 THR H H 487 8.265 8.265 8.385 -0.120 18097 644 1 1 . 1 1 199 199 VAL N N 488 129.507 129.507 123.582 5.925 18097 645 1 1 . 1 1 199 199 VAL C C 488 174.832 174.832 174.407 0.425 18097 646 1 1 . 1 1 199 199 VAL CA C 488 61.419 61.419 59.083 2.336 18097 647 1 1 . 1 1 199 199 VAL H H 488 8.737 8.737 7.274 1.463 18097 648 1 1 . 1 1 201 201 MET N N 490 116.897 116.897 122.965 -6.068 18097 649 1 1 . 1 1 201 201 MET HA H 490 5.073 5.073 5.236 -0.163 18097 650 1 1 . 1 1 201 201 MET C C 490 175.180 175.180 175.374 -0.194 18097 651 1 1 . 1 1 201 201 MET CA C 490 53.712 53.712 54.244 -0.532 18097 652 1 1 . 1 1 201 201 MET H H 490 8.545 8.545 8.704 -0.159 18097 653 1 1 . 1 1 202 202 THR N N 491 117.791 117.791 119.663 -1.872 18097 654 1 1 . 1 1 202 202 THR HA H 491 4.977 4.977 5.004 -0.027 18097 655 1 1 . 1 1 202 202 THR C C 491 173.981 173.981 174.291 -0.310 18097 656 1 1 . 1 1 202 202 THR CA C 491 62.058 62.058 61.012 1.046 18097 657 1 1 . 1 1 202 202 THR H H 491 8.312 8.312 8.307 0.005 18097 658 1 1 . 1 1 203 203 LEU N N 492 129.237 129.237 123.845 5.392 18097 659 1 1 . 1 1 203 203 LEU HA H 492 4.756 4.756 5.163 -0.407 18097 660 1 1 . 1 1 203 203 LEU C C 492 176.131 176.131 176.520 -0.389 18097 661 1 1 . 1 1 203 203 LEU CA C 492 55.294 55.294 53.849 1.445 18097 662 1 1 . 1 1 203 203 LEU H H 492 9.048 9.048 8.218 0.830 18097 663 1 1 . 1 1 204 204 CYS N N 493 122.012 122.012 120.356 1.656 18097 664 1 1 . 1 1 204 204 CYS HA H 493 4.577 4.577 3.968 0.609 18097 665 1 1 . 1 1 204 204 CYS C C 493 174.531 174.531 174.359 0.172 18097 666 1 1 . 1 1 204 204 CYS CA C 493 58.188 58.188 62.394 -4.206 18097 667 1 1 . 1 1 204 204 CYS H H 493 8.609 8.609 8.765 -0.156 18097 668 1 1 . 1 1 205 205 SER N N 494 120.249 120.249 111.809 8.440 18097 669 1 1 . 1 1 205 205 SER C C 494 171.632 171.632 171.730 -0.098 18097 670 1 1 . 1 1 205 205 SER CA C 494 56.909 56.909 57.334 -0.425 18097 671 1 1 . 1 1 205 205 SER H H 494 8.665 8.665 8.439 0.226 18097 672 1 2 . 1 1 3 3 GLU N N 292 122.345 122.345 122.808 -0.463 18097 673 1 2 . 1 1 3 3 GLU HA H 292 3.992 3.992 3.988 0.004 18097 674 1 2 . 1 1 3 3 GLU C C 292 178.218 178.218 177.676 0.542 18097 675 1 2 . 1 1 3 3 GLU CA C 292 58.828 58.828 59.542 -0.714 18097 676 1 2 . 1 1 3 3 GLU H H 292 8.831 8.831 8.521 0.310 18097 677 1 2 . 1 1 4 4 LEU N N 293 121.001 121.001 118.322 2.679 18097 678 1 2 . 1 1 4 4 LEU C C 293 177.175 177.175 177.620 -0.445 18097 679 1 2 . 1 1 4 4 LEU CA C 293 57.044 57.044 57.275 -0.231 18097 680 1 2 . 1 1 4 4 LEU H H 293 7.976 7.976 7.957 0.019 18097 681 1 2 . 1 1 5 5 THR N N 294 113.069 113.069 113.962 -0.893 18097 682 1 2 . 1 1 5 5 THR HA H 294 3.916 3.916 3.715 0.201 18097 683 1 2 . 1 1 5 5 THR C C 294 176.200 176.200 175.386 0.814 18097 684 1 2 . 1 1 5 5 THR CA C 294 66.164 66.164 66.383 -0.219 18097 685 1 2 . 1 1 5 5 THR H H 294 7.535 7.535 7.488 0.047 18097 686 1 2 . 1 1 6 6 ASP N N 295 119.926 119.926 119.773 0.153 18097 687 1 2 . 1 1 6 6 ASP HA H 295 4.085 4.085 4.355 -0.270 18097 688 1 2 . 1 1 6 6 ASP C C 295 177.314 177.314 177.999 -0.685 18097 689 1 2 . 1 1 6 6 ASP CA C 295 56.808 56.808 56.319 0.489 18097 690 1 2 . 1 1 6 6 ASP H H 295 7.530 7.530 7.980 -0.450 18097 691 1 2 . 1 1 7 7 ALA N N 296 121.726 121.726 122.357 -0.631 18097 692 1 2 . 1 1 7 7 ALA HA H 296 4.109 4.109 3.447 0.662 18097 693 1 2 . 1 1 7 7 ALA C C 296 178.659 178.659 179.116 -0.457 18097 694 1 2 . 1 1 7 7 ALA CA C 296 54.655 54.655 53.858 0.796 18097 695 1 2 . 1 1 7 7 ALA H H 296 7.227 7.227 6.991 0.236 18097 696 1 2 . 1 1 8 8 ARG N N 297 112.468 112.468 116.476 -4.008 18097 697 1 2 . 1 1 8 8 ARG C C 297 178.033 178.033 177.955 0.078 18097 698 1 2 . 1 1 8 8 ARG CA C 297 58.424 58.424 57.880 0.544 18097 699 1 2 . 1 1 8 8 ARG H H 297 7.370 7.370 7.326 0.044 18097 700 1 2 . 1 1 9 9 ARG N N 298 118.926 118.926 118.558 0.368 18097 701 1 2 . 1 1 9 9 ARG HA H 298 3.832 3.832 3.907 -0.075 18097 702 1 2 . 1 1 9 9 ARG C C 298 176.827 176.827 176.933 -0.106 18097 703 1 2 . 1 1 9 9 ARG CA C 298 58.289 58.289 58.183 0.106 18097 704 1 2 . 1 1 9 9 ARG H H 298 7.059 7.059 7.103 -0.044 18097 705 1 2 . 1 1 10 10 TYR N N 299 118.201 118.201 116.188 2.013 18097 706 1 2 . 1 1 10 10 TYR HA H 299 4.853 4.853 4.740 0.113 18097 707 1 2 . 1 1 10 10 TYR C C 299 174.832 174.832 174.363 0.469 18097 708 1 2 . 1 1 10 10 TYR CA C 299 56.943 56.943 56.130 0.813 18097 709 1 2 . 1 1 10 10 TYR H H 299 7.800 7.800 7.440 0.360 18097 710 1 2 . 1 1 11 11 TRP N N 300 123.427 123.427 123.182 0.245 18097 711 1 2 . 1 1 11 11 TRP HA H 300 4.577 4.577 5.315 -0.738 18097 712 1 2 . 1 1 11 11 TRP C C 300 177.082 177.082 176.793 0.289 18097 713 1 2 . 1 1 11 11 TRP CA C 300 58.558 58.558 58.554 0.003 18097 714 1 2 . 1 1 11 11 TRP H H 300 7.122 7.122 7.653 -0.531 18097 715 1 2 . 1 1 13 13 ASP N N 302 122.160 122.160 123.864 -1.704 18097 716 1 2 . 1 1 13 13 ASP HA H 302 4.605 4.605 4.750 -0.145 18097 717 1 2 . 1 1 13 13 ASP C C 302 174.786 174.786 175.820 -1.034 18097 718 1 2 . 1 1 13 13 ASP CA C 302 53.005 53.005 53.978 -0.973 18097 719 1 2 . 1 1 13 13 ASP H H 302 8.496 8.496 8.589 -0.093 18097 720 1 2 . 1 1 14 14 VAL N N 303 126.934 126.934 126.005 0.929 18097 721 1 2 . 1 1 14 14 VAL HA H 303 4.096 4.096 4.186 -0.090 18097 722 1 2 . 1 1 14 14 VAL C C 303 174.670 174.670 175.626 -0.956 18097 723 1 2 . 1 1 14 14 VAL CA C 303 62.429 62.429 61.114 1.315 18097 724 1 2 . 1 1 14 14 VAL H H 303 7.877 7.877 8.160 -0.283 18097 725 1 2 . 1 1 15 15 THR N N 304 114.829 114.829 118.804 -3.975 18097 726 1 2 . 1 1 15 15 THR HA H 304 4.536 4.536 4.727 -0.191 18097 727 1 2 . 1 1 15 15 THR C C 304 173.951 173.951 173.903 0.048 18097 728 1 2 . 1 1 15 15 THR CA C 304 58.592 58.592 60.288 -1.696 18097 729 1 2 . 1 1 15 15 THR H H 304 8.321 8.321 8.296 0.025 18097 730 1 2 . 1 1 16 16 LEU N N 305 121.392 121.392 124.968 -3.576 18097 731 1 2 . 1 1 16 16 LEU HA H 305 4.322 4.322 4.479 -0.157 18097 732 1 2 . 1 1 16 16 LEU C C 305 175.876 175.876 176.722 -0.846 18097 733 1 2 . 1 1 16 16 LEU CA C 305 54.526 54.526 54.886 -0.360 18097 734 1 2 . 1 1 16 16 LEU H H 305 8.967 8.967 8.528 0.439 18097 735 1 2 . 1 1 17 17 ALA N N 306 124.039 124.039 126.093 -2.054 18097 736 1 2 . 1 1 17 17 ALA HA H 306 4.385 4.385 4.743 -0.358 18097 737 1 2 . 1 1 17 17 ALA C C 306 177.360 177.360 176.870 0.490 18097 738 1 2 . 1 1 17 17 ALA CA C 306 50.515 50.515 50.682 -0.167 18097 739 1 2 . 1 1 17 17 ALA H H 306 8.409 8.409 8.283 0.126 18097 740 1 2 . 1 1 18 18 THR N N 307 114.041 114.041 116.151 -2.110 18097 741 1 2 . 1 1 18 18 THR HA H 307 4.398 4.398 4.257 0.141 18097 742 1 2 . 1 1 18 18 THR C C 307 174.206 174.206 173.769 0.437 18097 743 1 2 . 1 1 18 18 THR CA C 307 61.722 61.722 62.432 -0.710 18097 744 1 2 . 1 1 18 18 THR H H 307 8.146 8.146 8.396 -0.250 18097 745 1 2 . 1 1 19 19 ASN N N 308 119.841 119.841 123.921 -4.080 18097 746 1 2 . 1 1 19 19 ASN HA H 308 4.687 4.687 4.851 -0.164 18097 747 1 2 . 1 1 19 19 ASN C C 308 174.577 174.577 174.865 -0.288 18097 748 1 2 . 1 1 19 19 ASN CA C 308 52.871 52.871 52.284 0.587 18097 749 1 2 . 1 1 19 19 ASN H H 308 8.470 8.470 8.416 0.054 18097 750 1 2 . 1 1 38 38 PRO HA H 327 4.207 4.207 4.281 -0.074 18097 751 1 2 . 1 1 38 38 PRO C C 327 176.641 176.641 177.882 -1.241 18097 752 1 2 . 1 1 38 38 PRO CA C 327 63.443 63.443 63.283 0.160 18097 753 1 2 . 1 1 38 38 PRO CB C 327 31.714 31.714 31.876 -0.162 18097 754 1 2 . 1 1 39 39 GLN N N 328 118.424 118.424 118.239 0.185 18097 755 1 2 . 1 1 39 39 GLN HA H 328 4.111 4.111 3.990 0.121 18097 756 1 2 . 1 1 39 39 GLN C C 328 175.853 175.853 176.228 -0.375 18097 757 1 2 . 1 1 39 39 GLN CA C 328 56.136 56.136 58.125 -1.989 18097 758 1 2 . 1 1 39 39 GLN CB C 328 28.981 28.981 28.549 0.432 18097 759 1 2 . 1 1 39 39 GLN H H 328 8.139 8.139 8.642 -0.503 18097 760 1 2 . 1 1 40 40 ILE N N 329 119.966 119.966 108.537 11.429 18097 761 1 2 . 1 1 40 40 ILE HA H 329 3.998 3.998 4.363 -0.365 18097 762 1 2 . 1 1 40 40 ILE C C 329 175.690 175.690 175.319 0.371 18097 763 1 2 . 1 1 40 40 ILE CA C 329 60.601 60.601 59.143 1.458 18097 764 1 2 . 1 1 40 40 ILE CB C 329 38.274 38.274 37.450 0.824 18097 765 1 2 . 1 1 40 40 ILE H H 329 7.688 7.688 7.342 0.346 18097 766 1 2 . 1 1 41 41 MET N N 330 123.189 123.189 120.344 2.845 18097 767 1 2 . 1 1 41 41 MET HA H 330 4.286 4.286 3.788 0.498 18097 768 1 2 . 1 1 41 41 MET C C 330 175.389 175.389 174.737 0.652 18097 769 1 2 . 1 1 41 41 MET CA C 330 55.046 55.046 56.326 -1.280 18097 770 1 2 . 1 1 41 41 MET CB C 330 32.499 32.499 30.932 1.567 18097 771 1 2 . 1 1 41 41 MET H H 330 8.044 8.044 7.613 0.431 18097 772 1 2 . 1 1 42 42 TYR N N 331 121.297 121.297 111.853 9.444 18097 773 1 2 . 1 1 42 42 TYR HA H 331 4.398 4.398 4.137 0.261 18097 774 1 2 . 1 1 42 42 TYR C C 331 174.879 174.879 175.608 -0.729 18097 775 1 2 . 1 1 42 42 TYR CA C 331 57.599 57.599 58.966 -1.367 18097 776 1 2 . 1 1 42 42 TYR CB C 331 38.825 38.825 35.266 3.559 18097 777 1 2 . 1 1 42 42 TYR H H 331 8.024 8.024 7.892 0.132 18097 778 1 2 . 1 1 43 43 GLN N N 332 122.431 122.431 117.347 5.084 18097 779 1 2 . 1 1 43 43 GLN HA H 332 4.148 4.148 4.275 -0.127 18097 780 1 2 . 1 1 43 43 GLN C C 332 174.345 174.345 176.338 -1.993 18097 781 1 2 . 1 1 43 43 GLN CA C 332 54.714 54.714 56.038 -1.323 18097 782 1 2 . 1 1 43 43 GLN CB C 332 29.741 29.741 30.174 -0.433 18097 783 1 2 . 1 1 43 43 GLN H H 332 7.894 7.894 7.769 0.125 18097 784 1 2 . 1 1 44 44 ALA N N 333 126.670 126.670 125.827 0.843 18097 785 1 2 . 1 1 44 44 ALA HA H 333 4.367 4.367 4.114 0.253 18097 786 1 2 . 1 1 44 44 ALA C C 333 175.459 175.459 175.498 -0.039 18097 787 1 2 . 1 1 44 44 ALA CA C 333 50.358 50.358 52.041 -1.683 18097 788 1 2 . 1 1 44 44 ALA CB C 333 17.603 17.603 18.394 -0.791 18097 789 1 2 . 1 1 44 44 ALA H H 333 8.141 8.141 7.534 0.607 18097 790 1 2 . 1 1 45 45 PRO HA H 334 4.273 4.273 4.279 -0.006 18097 791 1 2 . 1 1 45 45 PRO CA C 334 63.318 63.318 63.275 0.043 18097 792 1 2 . 1 1 45 45 PRO CB C 334 31.697 31.697 31.609 0.088 18097 793 1 2 . 1 1 46 46 GLY N N 335 109.630 109.630 106.609 3.021 18097 794 1 2 . 1 1 46 46 GLY C C 335 174.322 174.322 174.127 0.195 18097 795 1 2 . 1 1 46 46 GLY CA C 335 45.255 45.255 44.976 0.279 18097 796 1 2 . 1 1 46 46 GLY H H 335 8.478 8.478 7.852 0.626 18097 797 1 2 . 1 1 47 47 THR N N 336 113.015 113.015 119.365 -6.350 18097 798 1 2 . 1 1 47 47 THR HA H 336 4.210 4.210 4.594 -0.384 18097 799 1 2 . 1 1 47 47 THR C C 336 174.067 174.067 174.020 0.047 18097 800 1 2 . 1 1 47 47 THR CA C 336 61.547 61.547 61.149 0.398 18097 801 1 2 . 1 1 47 47 THR CB C 336 69.516 69.516 69.269 0.247 18097 802 1 2 . 1 1 47 47 THR H H 336 7.734 7.734 7.982 -0.248 18097 803 1 2 . 1 1 48 48 LEU N N 337 123.635 123.635 118.793 4.842 18097 804 1 2 . 1 1 48 48 LEU HA H 337 4.152 4.152 3.565 0.587 18097 805 1 2 . 1 1 48 48 LEU C C 337 176.618 176.618 177.820 -1.202 18097 806 1 2 . 1 1 48 48 LEU CA C 337 55.025 55.025 58.017 -2.992 18097 807 1 2 . 1 1 48 48 LEU CB C 337 42.098 42.098 38.587 3.511 18097 808 1 2 . 1 1 48 48 LEU H H 337 8.087 8.087 7.849 0.238 18097 809 1 2 . 1 1 49 49 PHE N N 338 120.255 120.255 117.651 2.604 18097 810 1 2 . 1 1 49 49 PHE HA H 338 4.496 4.496 4.435 0.061 18097 811 1 2 . 1 1 49 49 PHE C C 338 175.227 175.227 176.973 -1.746 18097 812 1 2 . 1 1 49 49 PHE CA C 338 57.234 57.234 59.215 -1.981 18097 813 1 2 . 1 1 49 49 PHE CB C 338 39.290 39.290 38.743 0.547 18097 814 1 2 . 1 1 49 49 PHE H H 338 8.017 8.017 6.549 1.468 18097 815 1 2 . 1 1 50 50 THR N N 339 115.141 115.141 112.573 2.568 18097 816 1 2 . 1 1 50 50 THR HA H 339 4.137 4.137 4.070 0.067 18097 817 1 2 . 1 1 50 50 THR C C 339 173.255 173.255 174.599 -1.344 18097 818 1 2 . 1 1 50 50 THR CA C 339 61.244 61.244 64.397 -3.153 18097 819 1 2 . 1 1 50 50 THR CB C 339 69.643 69.643 67.715 1.928 18097 820 1 2 . 1 1 50 50 THR H H 339 7.741 7.741 8.349 -0.608 18097 821 1 2 . 1 1 51 51 PHE N N 340 122.603 122.603 115.117 7.486 18097 822 1 2 . 1 1 51 51 PHE HA H 340 4.571 4.571 4.715 -0.144 18097 823 1 2 . 1 1 51 51 PHE C C 340 173.858 173.858 172.461 1.397 18097 824 1 2 . 1 1 51 51 PHE CA C 340 56.874 56.874 55.737 1.137 18097 825 1 2 . 1 1 51 51 PHE CB C 340 39.250 39.250 38.222 1.028 18097 826 1 2 . 1 1 51 51 PHE H H 340 7.996 7.996 7.267 0.729 18097 827 1 2 . 1 1 52 52 PRO HA H 341 4.278 4.278 4.204 0.074 18097 828 1 2 . 1 1 52 52 PRO CA C 341 63.297 63.297 63.263 0.035 18097 829 1 2 . 1 1 52 52 PRO CB C 341 31.190 31.190 31.963 -0.773 18097 830 1 2 . 1 1 53 53 SER N N 342 114.918 114.918 117.814 -2.896 18097 831 1 2 . 1 1 53 53 SER HA H 342 4.334 4.334 4.306 0.028 18097 832 1 2 . 1 1 53 53 SER C C 342 174.508 174.508 175.501 -0.993 18097 833 1 2 . 1 1 53 53 SER CA C 342 58.019 58.019 60.691 -2.672 18097 834 1 2 . 1 1 53 53 SER CB C 342 63.587 63.587 63.467 0.120 18097 835 1 2 . 1 1 53 53 SER H H 342 8.119 8.119 8.302 -0.183 18097 836 1 2 . 1 1 54 54 LEU N N 343 123.426 123.426 114.849 8.577 18097 837 1 2 . 1 1 54 54 LEU HA H 343 4.307 4.307 4.243 0.064 18097 838 1 2 . 1 1 54 54 LEU C C 343 177.314 177.314 177.646 -0.332 18097 839 1 2 . 1 1 54 54 LEU CA C 343 55.224 55.224 56.790 -1.566 18097 840 1 2 . 1 1 54 54 LEU CB C 343 41.934 41.934 41.043 0.891 18097 841 1 2 . 1 1 54 54 LEU H H 343 8.180 8.180 7.798 0.382 18097 842 1 2 . 1 1 55 55 THR N N 344 112.921 112.921 111.253 1.668 18097 843 1 2 . 1 1 55 55 THR HA H 344 4.144 4.144 4.309 -0.165 18097 844 1 2 . 1 1 55 55 THR C C 344 173.928 173.928 174.185 -0.257 18097 845 1 2 . 1 1 55 55 THR CA C 344 61.565 61.565 62.348 -0.783 18097 846 1 2 . 1 1 55 55 THR CB C 344 69.396 69.396 69.774 -0.378 18097 847 1 2 . 1 1 55 55 THR H H 344 7.911 7.911 7.556 0.355 18097 848 1 2 . 1 1 56 56 ASN N N 345 119.978 119.978 121.607 -1.629 18097 849 1 2 . 1 1 56 56 ASN HA H 345 4.482 4.482 4.417 0.065 18097 850 1 2 . 1 1 56 56 ASN C C 345 174.137 174.137 174.413 -0.276 18097 851 1 2 . 1 1 56 56 ASN CA C 345 52.938 52.938 54.586 -1.648 18097 852 1 2 . 1 1 56 56 ASN CB C 345 38.110 38.110 37.155 0.955 18097 853 1 2 . 1 1 56 56 ASN H H 345 8.097 8.097 8.472 -0.375 18097 854 1 2 . 1 1 57 57 PHE N N 346 120.030 120.030 120.273 -0.243 18097 855 1 2 . 1 1 57 57 PHE HA H 346 4.482 4.482 4.088 0.394 18097 856 1 2 . 1 1 57 57 PHE C C 346 174.693 174.693 173.608 1.085 18097 857 1 2 . 1 1 57 57 PHE CA C 346 57.381 57.381 58.828 -1.447 18097 858 1 2 . 1 1 57 57 PHE CB C 346 39.313 39.313 37.738 1.575 18097 859 1 2 . 1 1 57 57 PHE H H 346 7.919 7.919 8.565 -0.646 18097 860 1 2 . 1 1 58 58 ASN N N 347 125.759 125.759 119.159 6.600 18097 861 1 2 . 1 1 58 58 ASN CA C 347 57.145 57.145 52.520 4.625 18097 862 1 2 . 1 1 58 58 ASN H H 347 7.656 7.656 7.824 -0.168 18097 863 1 2 . 1 1 64 64 LEU N N 353 120.532 120.532 120.621 -0.089 18097 864 1 2 . 1 1 64 64 LEU HA H 353 4.398 4.398 5.372 -0.974 18097 865 1 2 . 1 1 64 64 LEU C C 353 178.380 178.380 177.226 1.154 18097 866 1 2 . 1 1 64 64 LEU CA C 353 51.933 51.933 52.343 -0.409 18097 867 1 2 . 1 1 64 64 LEU H H 353 8.518 8.518 8.757 -0.239 18097 868 1 2 . 1 1 65 65 GLY N N 354 102.514 102.514 106.377 -3.863 18097 869 1 2 . 1 1 65 65 GLY C C 354 172.884 172.884 174.534 -1.650 18097 870 1 2 . 1 1 65 65 GLY CA C 354 44.491 44.491 44.604 -0.113 18097 871 1 2 . 1 1 65 65 GLY H H 354 8.051 8.051 8.082 -0.031 18097 872 1 2 . 1 1 66 66 SER N N 355 113.869 113.869 112.971 0.898 18097 873 1 2 . 1 1 66 66 SER HA H 355 4.015 4.015 4.243 -0.228 18097 874 1 2 . 1 1 66 66 SER C C 355 174.276 174.276 175.120 -0.844 18097 875 1 2 . 1 1 66 66 SER CA C 355 59.770 59.770 59.396 0.374 18097 876 1 2 . 1 1 66 66 SER H H 355 8.724 8.724 8.542 0.182 18097 877 1 2 . 1 1 67 67 GLN N N 356 121.985 121.985 120.382 1.603 18097 878 1 2 . 1 1 67 67 GLN HA H 356 4.474 4.474 4.615 -0.141 18097 879 1 2 . 1 1 67 67 GLN C C 356 173.905 173.905 174.661 -0.756 18097 880 1 2 . 1 1 67 67 GLN CA C 356 54.655 54.655 54.474 0.181 18097 881 1 2 . 1 1 67 67 GLN H H 356 7.995 7.995 8.003 -0.008 18097 882 1 2 . 1 1 68 68 SER N N 357 118.695 118.695 117.235 1.460 18097 883 1 2 . 1 1 68 68 SER HA H 357 4.852 4.852 3.672 1.180 18097 884 1 2 . 1 1 68 68 SER C C 357 173.835 173.835 173.621 0.214 18097 885 1 2 . 1 1 68 68 SER CA C 357 56.472 56.472 56.851 -0.379 18097 886 1 2 . 1 1 68 68 SER H H 357 8.145 8.145 8.513 -0.368 18097 887 1 2 . 1 1 69 69 ILE N N 358 123.370 123.370 121.762 1.608 18097 888 1 2 . 1 1 69 69 ILE C C 358 175.018 175.018 174.720 0.298 18097 889 1 2 . 1 1 69 69 ILE CA C 358 60.780 60.780 60.576 0.204 18097 890 1 2 . 1 1 69 69 ILE H H 358 8.813 8.813 8.130 0.683 18097 891 1 2 . 1 1 70 70 THR N N 359 113.324 113.324 116.677 -3.353 18097 892 1 2 . 1 1 70 70 THR HA H 359 3.967 3.967 3.401 0.566 18097 893 1 2 . 1 1 70 70 THR C C 359 172.026 172.026 173.065 -1.039 18097 894 1 2 . 1 1 70 70 THR CA C 359 59.366 59.366 60.091 -0.725 18097 895 1 2 . 1 1 70 70 THR H H 359 8.250 8.250 8.405 -0.155 18097 896 1 2 . 1 1 71 71 SER N N 360 111.494 111.494 114.675 -3.181 18097 897 1 2 . 1 1 71 71 SER HA H 360 4.085 4.085 4.449 -0.364 18097 898 1 2 . 1 1 71 71 SER C C 360 173.835 173.835 173.489 0.346 18097 899 1 2 . 1 1 71 71 SER CA C 360 57.818 57.818 58.414 -0.596 18097 900 1 2 . 1 1 71 71 SER H H 360 6.964 6.964 7.004 -0.040 18097 901 1 2 . 1 1 72 72 GLY N N 361 112.909 112.909 108.278 4.631 18097 902 1 2 . 1 1 72 72 GLY C C 361 171.400 171.400 172.560 -1.160 18097 903 1 2 . 1 1 72 72 GLY CA C 361 45.265 45.265 44.908 0.357 18097 904 1 2 . 1 1 72 72 GLY H H 361 10.408 10.408 8.573 1.835 18097 905 1 2 . 1 1 73 73 LYS N N 362 118.005 118.005 120.388 -2.383 18097 906 1 2 . 1 1 73 73 LYS C C 362 175.366 175.366 175.564 -0.198 18097 907 1 2 . 1 1 73 73 LYS CA C 362 54.621 54.621 55.291 -0.670 18097 908 1 2 . 1 1 73 73 LYS H H 362 7.310 7.310 8.054 -0.744 18097 909 1 2 . 1 1 74 74 HIS N N 363 118.405 118.405 119.364 -0.959 18097 910 1 2 . 1 1 74 74 HIS HA H 363 4.880 4.880 5.386 -0.506 18097 911 1 2 . 1 1 74 74 HIS C C 363 172.467 172.467 173.460 -0.993 18097 912 1 2 . 1 1 74 74 HIS CA C 363 56.371 56.371 55.040 1.331 18097 913 1 2 . 1 1 74 74 HIS H H 363 8.399 8.399 8.688 -0.289 18097 914 1 2 . 1 1 75 75 TYR N N 364 125.182 125.182 124.078 1.104 18097 915 1 2 . 1 1 75 75 TYR C C 364 172.852 172.852 172.978 -0.126 18097 916 1 2 . 1 1 75 75 TYR CA C 364 55.361 55.361 56.276 -0.915 18097 917 1 2 . 1 1 75 75 TYR H H 364 8.153 8.153 8.793 -0.640 18097 918 1 2 . 1 1 76 76 TRP N N 365 123.210 123.210 124.042 -0.832 18097 919 1 2 . 1 1 76 76 TRP C C 365 171.510 171.510 172.885 -1.375 18097 920 1 2 . 1 1 76 76 TRP CA C 365 57.549 57.549 55.715 1.834 18097 921 1 2 . 1 1 76 76 TRP H H 365 7.621 7.621 7.585 0.036 18097 922 1 2 . 1 1 78 78 VAL N N 367 122.416 122.416 121.847 0.569 18097 923 1 2 . 1 1 78 78 VAL HA H 367 4.756 4.756 4.744 0.012 18097 924 1 2 . 1 1 78 78 VAL C C 367 174.461 174.461 174.146 0.315 18097 925 1 2 . 1 1 78 78 VAL CA C 367 60.208 60.208 61.019 -0.811 18097 926 1 2 . 1 1 78 78 VAL H H 367 8.910 8.910 8.957 -0.047 18097 927 1 2 . 1 1 79 79 ASP N N 368 128.257 128.257 127.120 1.137 18097 928 1 2 . 1 1 79 79 ASP C C 368 175.343 175.343 175.651 -0.308 18097 929 1 2 . 1 1 79 79 ASP CA C 368 53.914 53.914 53.208 0.707 18097 930 1 2 . 1 1 79 79 ASP H H 368 9.795 9.795 9.104 0.691 18097 931 1 2 . 1 1 80 80 VAL N N 369 118.519 118.519 119.976 -1.457 18097 932 1 2 . 1 1 80 80 VAL C C 369 176.131 176.131 175.281 0.850 18097 933 1 2 . 1 1 80 80 VAL CA C 369 59.027 59.027 60.122 -1.095 18097 934 1 2 . 1 1 80 80 VAL H H 369 8.394 8.394 7.697 0.697 18097 935 1 2 . 1 1 81 81 SER N N 370 123.584 123.584 119.551 4.033 18097 936 1 2 . 1 1 81 81 SER C C 370 174.829 174.829 175.149 -0.320 18097 937 1 2 . 1 1 81 81 SER CA C 370 61.285 61.285 59.085 2.200 18097 938 1 2 . 1 1 81 81 SER H H 370 8.754 8.754 8.323 0.431 18097 939 1 2 . 1 1 82 82 LYS N N 371 115.025 115.025 121.526 -6.501 18097 940 1 2 . 1 1 82 82 LYS C C 371 175.922 175.922 176.128 -0.206 18097 941 1 2 . 1 1 82 82 LYS CA C 371 58.222 58.222 58.062 0.160 18097 942 1 2 . 1 1 82 82 LYS H H 371 8.789 8.789 8.880 -0.091 18097 943 1 2 . 1 1 83 83 LYS N N 372 117.904 117.904 119.888 -1.984 18097 944 1 2 . 1 1 83 83 LYS C C 372 177.824 177.824 177.413 0.411 18097 945 1 2 . 1 1 83 83 LYS CA C 372 57.784 57.784 56.331 1.453 18097 946 1 2 . 1 1 83 83 LYS H H 372 7.825 7.825 7.559 0.266 18097 947 1 2 . 1 1 84 84 SER N N 373 122.569 122.569 117.211 5.358 18097 948 1 2 . 1 1 84 84 SER HA H 373 4.348 4.348 4.471 -0.123 18097 949 1 2 . 1 1 84 84 SER C C 373 172.270 172.270 173.035 -0.765 18097 950 1 2 . 1 1 84 84 SER CA C 373 58.996 58.996 57.910 1.086 18097 951 1 2 . 1 1 84 84 SER H H 373 9.839 9.839 8.644 1.195 18097 952 1 2 . 1 1 85 85 ALA N N 374 120.821 120.821 120.767 0.054 18097 953 1 2 . 1 1 85 85 ALA C C 374 174.253 174.253 174.725 -0.472 18097 954 1 2 . 1 1 85 85 ALA CA C 374 51.020 51.020 51.754 -0.734 18097 955 1 2 . 1 1 85 85 ALA H H 374 7.130 7.130 7.391 -0.261 18097 956 1 2 . 1 1 86 86 TRP N N 375 109.378 109.378 116.076 -6.698 18097 957 1 2 . 1 1 86 86 TRP C C 375 176.096 176.096 173.267 2.829 18097 958 1 2 . 1 1 86 86 TRP CA C 375 56.909 56.909 56.521 0.388 18097 959 1 2 . 1 1 86 86 TRP H H 375 7.876 7.876 7.698 0.178 18097 960 1 2 . 1 1 87 87 ILE N N 376 118.409 118.409 121.661 -3.252 18097 961 1 2 . 1 1 87 87 ILE C C 376 175.405 175.405 174.834 0.571 18097 962 1 2 . 1 1 87 87 ILE CA C 376 60.679 60.679 59.887 0.792 18097 963 1 2 . 1 1 87 87 ILE H H 376 9.270 9.270 9.169 0.101 18097 964 1 2 . 1 1 88 88 LEU N N 377 122.952 122.952 121.950 1.002 18097 965 1 2 . 1 1 88 88 LEU C C 377 174.967 174.967 175.966 -0.999 18097 966 1 2 . 1 1 88 88 LEU CA C 377 54.520 54.520 53.221 1.299 18097 967 1 2 . 1 1 88 88 LEU H H 377 9.422 9.422 8.659 0.763 18097 968 1 2 . 1 1 89 89 GLY N N 378 103.446 103.446 108.255 -4.809 18097 969 1 2 . 1 1 89 89 GLY C C 378 171.976 171.976 172.794 -0.818 18097 970 1 2 . 1 1 89 89 GLY CA C 378 47.251 47.251 46.733 0.518 18097 971 1 2 . 1 1 89 89 GLY H H 378 8.366 8.366 8.717 -0.351 18097 972 1 2 . 1 1 90 90 VAL N N 379 130.348 130.348 120.752 9.596 18097 973 1 2 . 1 1 90 90 VAL HA H 379 4.164 4.164 5.168 -1.004 18097 974 1 2 . 1 1 90 90 VAL C C 379 172.847 172.847 173.971 -1.124 18097 975 1 2 . 1 1 90 90 VAL CA C 379 60.477 60.477 61.347 -0.870 18097 976 1 2 . 1 1 90 90 VAL H H 379 9.224 9.224 8.544 0.680 18097 977 1 2 . 1 1 91 91 CYS N N 380 122.658 122.658 123.801 -1.143 18097 978 1 2 . 1 1 91 91 CYS C C 380 173.630 173.630 173.457 0.173 18097 979 1 2 . 1 1 91 91 CYS CA C 380 55.429 55.429 55.704 -0.275 18097 980 1 2 . 1 1 91 91 CYS H H 380 9.398 9.398 9.371 0.027 18097 981 1 2 . 1 1 92 92 ALA N N 381 127.998 127.998 125.238 2.760 18097 982 1 2 . 1 1 92 92 ALA HA H 381 5.049 5.049 5.078 -0.029 18097 983 1 2 . 1 1 92 92 ALA C C 381 176.479 176.479 176.283 0.196 18097 984 1 2 . 1 1 92 92 ALA CA C 381 52.400 52.400 51.249 1.151 18097 985 1 2 . 1 1 92 92 ALA H H 381 9.478 9.478 7.999 1.479 18097 986 1 2 . 1 1 93 93 GLY N N 382 108.533 108.533 105.194 3.339 18097 987 1 2 . 1 1 93 93 GLY C C 382 173.580 173.580 172.878 0.702 18097 988 1 2 . 1 1 93 93 GLY CA C 382 43.212 43.212 44.251 -1.039 18097 989 1 2 . 1 1 93 93 GLY H H 382 8.194 8.194 7.263 0.931 18097 990 1 2 . 1 1 94 94 PHE N N 383 116.476 116.476 118.198 -1.722 18097 991 1 2 . 1 1 94 94 PHE HA H 383 4.536 4.536 4.956 -0.420 18097 992 1 2 . 1 1 94 94 PHE C C 383 178.079 178.079 176.816 1.263 18097 993 1 2 . 1 1 94 94 PHE CA C 383 56.627 56.627 56.452 0.175 18097 994 1 2 . 1 1 94 94 PHE H H 383 8.290 8.290 8.253 0.037 18097 995 1 2 . 1 1 105 105 ASN N N 394 112.033 112.033 115.792 -3.759 18097 996 1 2 . 1 1 105 105 ASN HA H 394 4.715 4.715 4.894 -0.179 18097 997 1 2 . 1 1 105 105 ASN C C 394 173.835 173.835 173.748 0.087 18097 998 1 2 . 1 1 105 105 ASN CA C 394 51.929 51.929 52.079 -0.150 18097 999 1 2 . 1 1 105 105 ASN H H 394 6.912 6.912 7.610 -0.698 18097 1000 1 2 . 1 1 106 106 GLU N N 395 117.585 117.585 116.394 1.191 18097 1001 1 2 . 1 1 106 106 GLU C C 395 175.574 175.574 175.026 0.548 18097 1002 1 2 . 1 1 106 106 GLU CA C 395 56.808 56.808 57.023 -0.215 18097 1003 1 2 . 1 1 106 106 GLU H H 395 7.354 7.354 7.680 -0.326 18097 1004 1 2 . 1 1 107 107 ASN N N 396 118.664 118.664 118.171 0.493 18097 1005 1 2 . 1 1 107 107 ASN HA H 396 4.536 4.536 4.652 -0.116 18097 1006 1 2 . 1 1 107 107 ASN C C 396 173.441 173.441 173.678 -0.237 18097 1007 1 2 . 1 1 107 107 ASN CA C 396 50.448 50.448 51.535 -1.087 18097 1008 1 2 . 1 1 107 107 ASN H H 396 8.082 8.082 7.518 0.564 18097 1009 1 2 . 1 1 108 108 TYR N N 397 117.301 117.301 120.803 -3.502 18097 1010 1 2 . 1 1 108 108 TYR HA H 397 4.605 4.605 3.904 0.701 18097 1011 1 2 . 1 1 108 108 TYR C C 397 173.186 173.186 174.721 -1.535 18097 1012 1 2 . 1 1 108 108 TYR CA C 397 55.530 55.530 58.276 -2.746 18097 1013 1 2 . 1 1 108 108 TYR H H 397 6.101 6.101 7.172 -1.071 18097 1014 1 2 . 1 1 109 109 GLN N N 398 114.934 114.934 120.914 -5.980 18097 1015 1 2 . 1 1 109 109 GLN C C 398 175.064 175.064 174.072 0.992 18097 1016 1 2 . 1 1 109 109 GLN CA C 398 53.241 53.241 52.767 0.474 18097 1017 1 2 . 1 1 109 109 GLN H H 398 6.115 6.115 8.374 -2.259 18097 1018 1 2 . 1 1 111 111 LYS N N 400 120.723 120.723 115.161 5.562 18097 1019 1 2 . 1 1 111 111 LYS HA H 400 4.068 4.068 4.038 0.030 18097 1020 1 2 . 1 1 111 111 LYS C C 400 177.244 177.244 177.269 -0.025 18097 1021 1 2 . 1 1 111 111 LYS CA C 400 58.289 58.289 58.128 0.161 18097 1022 1 2 . 1 1 111 111 LYS H H 400 10.775 10.775 7.988 2.787 18097 1023 1 2 . 1 1 112 112 TYR N N 401 120.182 120.182 117.655 2.527 18097 1024 1 2 . 1 1 112 112 TYR HA H 401 3.612 3.612 4.605 -0.993 18097 1025 1 2 . 1 1 112 112 TYR C C 401 175.853 175.853 174.925 0.928 18097 1026 1 2 . 1 1 112 112 TYR CA C 401 53.847 53.847 56.069 -2.222 18097 1027 1 2 . 1 1 112 112 TYR H H 401 7.647 7.647 7.559 0.088 18097 1028 1 2 . 1 1 113 113 GLY N N 402 107.764 107.764 106.776 0.988 18097 1029 1 2 . 1 1 113 113 GLY C C 402 171.679 171.679 172.402 -0.723 18097 1030 1 2 . 1 1 113 113 GLY CA C 402 45.972 45.972 44.829 1.143 18097 1031 1 2 . 1 1 113 113 GLY H H 402 8.057 8.057 7.083 0.974 18097 1032 1 2 . 1 1 114 114 TYR N N 403 115.659 115.659 118.469 -2.810 18097 1033 1 2 . 1 1 114 114 TYR C C 403 173.013 173.013 174.840 -1.827 18097 1034 1 2 . 1 1 114 114 TYR CA C 403 57.515 57.515 56.692 0.823 18097 1035 1 2 . 1 1 114 114 TYR H H 403 6.585 6.585 7.051 -0.466 18097 1036 1 2 . 1 1 115 115 TRP N N 404 125.437 125.437 127.103 -1.666 18097 1037 1 2 . 1 1 115 115 TRP C C 404 175.405 175.405 174.549 0.856 18097 1038 1 2 . 1 1 115 115 TRP CA C 404 57.650 57.650 55.755 1.895 18097 1039 1 2 . 1 1 115 115 TRP H H 404 8.420 8.420 9.092 -0.672 18097 1040 1 2 . 1 1 116 116 VAL N N 405 116.317 116.317 117.652 -1.335 18097 1041 1 2 . 1 1 116 116 VAL C C 405 174.368 174.368 174.113 0.255 18097 1042 1 2 . 1 1 116 116 VAL CA C 405 58.525 58.525 58.832 -0.307 18097 1043 1 2 . 1 1 116 116 VAL H H 405 9.825 9.825 7.819 2.006 18097 1044 1 2 . 1 1 117 117 ILE N N 406 110.464 110.464 114.386 -3.922 18097 1045 1 2 . 1 1 117 117 ILE C C 406 174.879 174.879 174.640 0.239 18097 1046 1 2 . 1 1 117 117 ILE CA C 406 58.929 58.929 58.704 0.225 18097 1047 1 2 . 1 1 117 117 ILE H H 406 8.268 8.268 8.514 -0.246 18097 1048 1 2 . 1 1 118 118 GLY N N 407 105.424 105.424 108.420 -2.996 18097 1049 1 2 . 1 1 118 118 GLY C C 407 169.418 169.418 170.968 -1.550 18097 1050 1 2 . 1 1 118 118 GLY CA C 407 45.770 45.770 43.714 2.056 18097 1051 1 2 . 1 1 118 118 GLY H H 407 9.115 9.115 8.905 0.210 18097 1052 1 2 . 1 1 119 119 LEU N N 408 118.628 118.628 119.912 -1.284 18097 1053 1 2 . 1 1 119 119 LEU C C 408 176.224 176.224 173.936 2.288 18097 1054 1 2 . 1 1 119 119 LEU CA C 408 52.265 52.265 52.441 -0.176 18097 1055 1 2 . 1 1 119 119 LEU H H 408 7.892 7.892 7.414 0.478 18097 1056 1 2 . 1 1 120 120 GLN N N 409 123.541 123.541 124.148 -0.607 18097 1057 1 2 . 1 1 120 120 GLN HA H 409 4.233 4.233 4.724 -0.491 18097 1058 1 2 . 1 1 120 120 GLN C C 409 173.000 173.000 175.168 -2.168 18097 1059 1 2 . 1 1 120 120 GLN CA C 409 54.284 54.284 54.605 -0.321 18097 1060 1 2 . 1 1 120 120 GLN H H 409 8.375 8.375 8.448 -0.073 18097 1061 1 2 . 1 1 121 121 GLU N N 410 117.179 117.179 120.599 -3.420 18097 1062 1 2 . 1 1 121 121 GLU C C 410 176.800 176.800 176.345 0.455 18097 1063 1 2 . 1 1 121 121 GLU CA C 410 56.809 56.809 57.181 -0.372 18097 1064 1 2 . 1 1 121 121 GLU H H 410 8.864 8.864 9.159 -0.295 18097 1065 1 2 . 1 1 125 125 TYR N N 414 128.783 128.783 123.373 5.410 18097 1066 1 2 . 1 1 125 125 TYR HA H 414 5.192 5.192 5.327 -0.135 18097 1067 1 2 . 1 1 125 125 TYR C C 414 176.827 176.827 176.268 0.559 18097 1068 1 2 . 1 1 125 125 TYR CA C 414 57.212 57.212 57.765 -0.553 18097 1069 1 2 . 1 1 125 125 TYR H H 414 9.145 9.145 8.506 0.639 18097 1070 1 2 . 1 1 126 126 SER N N 415 117.388 117.388 114.556 2.832 18097 1071 1 2 . 1 1 126 126 SER HA H 415 5.049 5.049 5.141 -0.092 18097 1072 1 2 . 1 1 126 126 SER C C 415 170.913 170.913 172.028 -1.115 18097 1073 1 2 . 1 1 126 126 SER CA C 415 57.482 57.482 57.909 -0.427 18097 1074 1 2 . 1 1 126 126 SER H H 415 9.192 9.192 9.127 0.065 18097 1075 1 2 . 1 1 127 127 VAL N N 416 119.557 119.557 121.032 -1.475 18097 1076 1 2 . 1 1 127 127 VAL C C 416 172.653 172.653 173.869 -1.216 18097 1077 1 2 . 1 1 127 127 VAL CA C 416 59.703 59.703 59.822 -0.119 18097 1078 1 2 . 1 1 127 127 VAL H H 416 8.761 8.761 8.754 0.007 18097 1079 1 2 . 1 1 128 128 PHE N N 417 127.341 127.341 129.012 -1.671 18097 1080 1 2 . 1 1 128 128 PHE HA H 417 4.267 4.267 4.609 -0.342 18097 1081 1 2 . 1 1 128 128 PHE C C 417 174.925 174.925 174.777 0.148 18097 1082 1 2 . 1 1 128 128 PHE CA C 417 58.458 58.458 59.387 -0.929 18097 1083 1 2 . 1 1 128 128 PHE H H 417 7.150 7.150 8.412 -1.262 18097 1084 1 2 . 1 1 129 129 GLN N N 418 122.834 122.834 121.133 1.701 18097 1085 1 2 . 1 1 129 129 GLN HA H 418 4.125 4.125 4.754 -0.629 18097 1086 1 2 . 1 1 129 129 GLN C C 418 176.038 176.038 175.058 0.980 18097 1087 1 2 . 1 1 129 129 GLN CA C 418 53.679 53.679 53.928 -0.249 18097 1088 1 2 . 1 1 129 129 GLN H H 418 8.693 8.693 7.717 0.976 18097 1089 1 2 . 1 1 130 130 ASP N N 419 119.994 119.994 120.368 -0.374 18097 1090 1 2 . 1 1 130 130 ASP HA H 419 4.964 4.964 4.691 0.273 18097 1091 1 2 . 1 1 130 130 ASP C C 419 178.218 178.218 176.699 1.519 18097 1092 1 2 . 1 1 130 130 ASP CA C 419 54.991 54.991 55.427 -0.436 18097 1093 1 2 . 1 1 130 130 ASP H H 419 8.425 8.425 8.502 -0.077 18097 1094 1 2 . 1 1 131 131 GLY N N 420 107.499 107.499 109.118 -1.619 18097 1095 1 2 . 1 1 131 131 GLY C C 420 174.415 174.415 173.184 1.231 18097 1096 1 2 . 1 1 131 131 GLY CA C 420 44.735 44.735 43.820 0.915 18097 1097 1 2 . 1 1 131 131 GLY H H 420 8.112 8.112 8.936 -0.824 18097 1098 1 2 . 1 1 132 132 SER N N 421 115.128 115.128 114.226 0.902 18097 1099 1 2 . 1 1 132 132 SER C C 421 176.177 176.177 176.497 -0.320 18097 1100 1 2 . 1 1 132 132 SER CA C 421 57.515 57.515 57.426 0.089 18097 1101 1 2 . 1 1 132 132 SER H H 421 8.016 8.016 8.384 -0.368 18097 1102 1 2 . 1 1 137 137 PHE N N 426 115.968 115.968 116.001 -0.033 18097 1103 1 2 . 1 1 137 137 PHE HA H 426 4.525 4.525 4.616 -0.091 18097 1104 1 2 . 1 1 137 137 PHE C C 426 173.511 173.511 174.994 -1.483 18097 1105 1 2 . 1 1 137 137 PHE CA C 426 56.707 56.707 57.419 -0.712 18097 1106 1 2 . 1 1 137 137 PHE H H 426 7.817 7.817 7.779 0.038 18097 1107 1 2 . 1 1 138 138 ALA N N 427 124.435 124.435 121.091 3.344 18097 1108 1 2 . 1 1 138 138 ALA HA H 427 4.219 4.219 4.831 -0.612 18097 1109 1 2 . 1 1 138 138 ALA C C 427 173.835 173.835 174.305 -0.470 18097 1110 1 2 . 1 1 138 138 ALA CA C 427 48.933 48.933 49.447 -0.514 18097 1111 1 2 . 1 1 138 138 ALA H H 427 7.451 7.451 7.640 -0.189 18097 1112 1 2 . 1 1 140 140 PHE N N 429 122.819 122.819 121.930 0.889 18097 1113 1 2 . 1 1 140 140 PHE HA H 429 4.795 4.795 4.733 0.062 18097 1114 1 2 . 1 1 140 140 PHE C C 429 173.232 173.232 174.708 -1.476 18097 1115 1 2 . 1 1 140 140 PHE CA C 429 55.556 55.556 55.762 -0.206 18097 1116 1 2 . 1 1 140 140 PHE H H 429 8.009 8.009 8.099 -0.090 18097 1117 1 2 . 1 1 141 141 ILE N N 430 127.916 127.916 125.010 2.906 18097 1118 1 2 . 1 1 141 141 ILE HA H 430 3.992 3.992 3.686 0.306 18097 1119 1 2 . 1 1 141 141 ILE C C 430 175.459 175.459 175.443 0.016 18097 1120 1 2 . 1 1 141 141 ILE CA C 430 60.443 60.443 62.230 -1.787 18097 1121 1 2 . 1 1 141 141 ILE H H 430 8.069 8.069 7.651 0.418 18097 1122 1 2 . 1 1 142 142 VAL N N 431 131.283 131.283 128.150 3.133 18097 1123 1 2 . 1 1 142 142 VAL HA H 431 4.261 4.261 4.322 -0.061 18097 1124 1 2 . 1 1 142 142 VAL C C 431 173.580 173.580 173.762 -0.182 18097 1125 1 2 . 1 1 142 142 VAL CA C 431 58.828 58.828 58.772 0.056 18097 1126 1 2 . 1 1 142 142 VAL H H 431 8.332 8.332 8.150 0.182 18097 1127 1 2 . 1 1 145 145 SER N N 434 121.965 121.965 118.835 3.130 18097 1128 1 2 . 1 1 145 145 SER C C 434 174.529 174.529 174.090 0.439 18097 1129 1 2 . 1 1 145 145 SER H H 434 8.546 8.546 8.597 -0.051 18097 1130 1 2 . 1 1 149 149 CYS N N 438 126.863 126.863 127.708 -0.845 18097 1131 1 2 . 1 1 149 149 CYS C C 438 173.441 173.441 173.166 0.275 18097 1132 1 2 . 1 1 149 149 CYS CA C 438 58.256 58.256 57.711 0.546 18097 1133 1 2 . 1 1 149 149 CYS H H 438 8.557 8.557 8.515 0.042 18097 1134 1 2 . 1 1 151 151 ASP N N 440 123.283 123.283 120.660 2.623 18097 1135 1 2 . 1 1 151 151 ASP HA H 440 4.550 4.550 4.781 -0.231 18097 1136 1 2 . 1 1 151 151 ASP C C 440 175.505 175.505 175.898 -0.393 18097 1137 1 2 . 1 1 151 151 ASP CA C 440 55.227 55.227 54.786 0.441 18097 1138 1 2 . 1 1 151 151 ASP H H 440 9.027 9.027 9.130 -0.103 18097 1139 1 2 . 1 1 152 152 ARG N N 441 116.407 116.407 118.851 -2.444 18097 1140 1 2 . 1 1 152 152 ARG HA H 441 4.316 4.316 4.876 -0.560 18097 1141 1 2 . 1 1 152 152 ARG C C 441 173.858 173.858 173.333 0.525 18097 1142 1 2 . 1 1 152 152 ARG CA C 441 54.486 54.486 55.941 -1.455 18097 1143 1 2 . 1 1 152 152 ARG H H 441 6.962 6.962 7.351 -0.389 18097 1144 1 2 . 1 1 153 153 VAL N N 442 123.155 123.155 125.643 -2.488 18097 1145 1 2 . 1 1 153 153 VAL C C 442 174.967 174.967 175.220 -0.253 18097 1146 1 2 . 1 1 153 153 VAL CA C 442 60.174 60.174 60.403 -0.229 18097 1147 1 2 . 1 1 153 153 VAL H H 442 8.689 8.689 8.767 -0.078 18097 1148 1 2 . 1 1 154 154 GLY N N 443 114.213 114.213 114.252 -0.039 18097 1149 1 2 . 1 1 154 154 GLY C C 443 171.584 171.584 172.463 -0.879 18097 1150 1 2 . 1 1 154 154 GLY CA C 443 44.827 44.827 43.775 1.052 18097 1151 1 2 . 1 1 154 154 GLY H H 443 9.100 9.100 8.866 0.234 18097 1152 1 2 . 1 1 155 155 VAL N N 444 126.435 126.435 125.489 0.946 18097 1153 1 2 . 1 1 155 155 VAL HA H 444 4.123 4.123 4.629 -0.506 18097 1154 1 2 . 1 1 155 155 VAL C C 444 171.856 171.856 173.664 -1.808 18097 1155 1 2 . 1 1 155 155 VAL CA C 444 60.712 60.712 60.304 0.408 18097 1156 1 2 . 1 1 155 155 VAL H H 444 8.485 8.485 8.335 0.150 18097 1157 1 2 . 1 1 156 156 PHE N N 445 122.110 122.110 128.954 -6.844 18097 1158 1 2 . 1 1 156 156 PHE HA H 445 4.580 4.580 5.430 -0.850 18097 1159 1 2 . 1 1 156 156 PHE C C 445 174.598 174.598 173.325 1.273 18097 1160 1 2 . 1 1 156 156 PHE CA C 445 53.174 53.174 54.681 -1.507 18097 1161 1 2 . 1 1 156 156 PHE H H 445 8.441 8.441 8.671 -0.230 18097 1162 1 2 . 1 1 157 157 VAL N N 446 130.057 130.057 127.225 2.832 18097 1163 1 2 . 1 1 157 157 VAL HA H 446 4.275 4.275 4.672 -0.397 18097 1164 1 2 . 1 1 157 157 VAL C C 446 172.086 172.086 173.692 -1.606 18097 1165 1 2 . 1 1 157 157 VAL CA C 446 59.837 59.837 60.784 -0.947 18097 1166 1 2 . 1 1 157 157 VAL H H 446 9.139 9.139 8.846 0.293 18097 1167 1 2 . 1 1 158 158 ASP N N 447 124.791 124.791 127.413 -2.622 18097 1168 1 2 . 1 1 158 158 ASP HA H 447 4.491 4.491 4.723 -0.232 18097 1169 1 2 . 1 1 158 158 ASP C C 447 176.456 176.456 176.376 0.080 18097 1170 1 2 . 1 1 158 158 ASP CA C 447 51.794 51.794 51.334 0.460 18097 1171 1 2 . 1 1 158 158 ASP H H 447 7.608 7.608 8.392 -0.784 18097 1172 1 2 . 1 1 159 159 TYR N N 448 125.168 125.168 126.302 -1.134 18097 1173 1 2 . 1 1 159 159 TYR HA H 448 3.793 3.793 4.011 -0.218 18097 1174 1 2 . 1 1 159 159 TYR C C 448 177.894 177.894 176.713 1.181 18097 1175 1 2 . 1 1 159 159 TYR CA C 448 61.688 61.688 62.907 -1.219 18097 1176 1 2 . 1 1 159 159 TYR H H 448 8.778 8.778 7.898 0.880 18097 1177 1 2 . 1 1 160 160 GLU N N 449 116.788 116.788 116.038 0.750 18097 1178 1 2 . 1 1 160 160 GLU HA H 449 3.967 3.967 3.957 0.010 18097 1179 1 2 . 1 1 160 160 GLU C C 449 178.520 178.520 178.892 -0.372 18097 1180 1 2 . 1 1 160 160 GLU CA C 449 60.578 60.578 59.208 1.370 18097 1181 1 2 . 1 1 160 160 GLU H H 449 8.003 8.003 8.691 -0.688 18097 1182 1 2 . 1 1 161 161 ALA N N 450 119.184 119.184 119.336 -0.152 18097 1183 1 2 . 1 1 161 161 ALA HA H 450 4.026 4.026 4.206 -0.180 18097 1184 1 2 . 1 1 161 161 ALA C C 450 176.664 176.664 177.006 -0.342 18097 1185 1 2 . 1 1 161 161 ALA CA C 450 51.895 51.895 52.549 -0.654 18097 1186 1 2 . 1 1 161 161 ALA H H 450 7.695 7.695 8.407 -0.712 18097 1187 1 2 . 1 1 162 162 CYS N N 451 112.485 112.485 115.648 -3.163 18097 1188 1 2 . 1 1 162 162 CYS C C 451 173.047 173.047 172.763 0.284 18097 1189 1 2 . 1 1 162 162 CYS CA C 451 59.063 59.063 59.638 -0.575 18097 1190 1 2 . 1 1 162 162 CYS H H 451 7.880 7.880 8.437 -0.557 18097 1191 1 2 . 1 1 163 163 THR N N 452 106.985 106.985 111.701 -4.716 18097 1192 1 2 . 1 1 163 163 THR C C 452 173.335 173.335 173.032 0.303 18097 1193 1 2 . 1 1 163 163 THR CA C 452 58.727 58.727 60.323 -1.596 18097 1194 1 2 . 1 1 163 163 THR H H 452 7.623 7.623 7.454 0.169 18097 1195 1 2 . 1 1 164 164 VAL N N 453 119.085 119.085 124.854 -5.769 18097 1196 1 2 . 1 1 164 164 VAL C C 453 174.741 174.741 175.133 -0.392 18097 1197 1 2 . 1 1 164 164 VAL CA C 453 61.756 61.756 61.183 0.573 18097 1198 1 2 . 1 1 164 164 VAL H H 453 7.900 7.900 8.607 -0.707 18097 1199 1 2 . 1 1 165 165 SER N N 454 121.792 121.792 123.879 -2.087 18097 1200 1 2 . 1 1 165 165 SER C C 454 170.888 170.888 172.912 -2.024 18097 1201 1 2 . 1 1 165 165 SER CA C 454 57.482 57.482 57.248 0.234 18097 1202 1 2 . 1 1 165 165 SER H H 454 9.034 9.034 8.936 0.098 18097 1203 1 2 . 1 1 166 166 PHE N N 455 117.889 117.889 120.537 -2.648 18097 1204 1 2 . 1 1 166 166 PHE C C 455 175.064 175.064 174.440 0.624 18097 1205 1 2 . 1 1 166 166 PHE CA C 455 55.361 55.361 56.219 -0.858 18097 1206 1 2 . 1 1 166 166 PHE H H 455 8.076 8.076 8.841 -0.765 18097 1207 1 2 . 1 1 167 167 PHE N N 456 121.297 121.297 121.449 -0.152 18097 1208 1 2 . 1 1 167 167 PHE C C 456 175.018 175.018 175.418 -0.400 18097 1209 1 2 . 1 1 167 167 PHE CA C 456 56.808 56.808 56.473 0.335 18097 1210 1 2 . 1 1 167 167 PHE H H 456 10.023 10.023 9.322 0.701 18097 1211 1 2 . 1 1 168 168 ASN N N 457 120.535 120.535 122.444 -1.909 18097 1212 1 2 . 1 1 168 168 ASN HA H 457 4.591 4.591 5.116 -0.525 18097 1213 1 2 . 1 1 168 168 ASN C C 457 175.157 175.157 176.055 -0.898 18097 1214 1 2 . 1 1 168 168 ASN CA C 457 51.659 51.659 50.592 1.067 18097 1215 1 2 . 1 1 168 168 ASN H H 457 9.646 9.646 8.922 0.724 18097 1216 1 2 . 1 1 169 169 ILE N N 458 124.615 124.615 124.474 0.141 18097 1217 1 2 . 1 1 169 169 ILE C C 458 176.548 176.548 177.309 -0.761 18097 1218 1 2 . 1 1 169 169 ILE CA C 458 62.698 62.698 63.740 -1.042 18097 1219 1 2 . 1 1 169 169 ILE H H 458 7.792 7.792 8.132 -0.340 18097 1220 1 2 . 1 1 170 170 THR N N 459 114.704 114.704 111.713 2.991 18097 1221 1 2 . 1 1 170 170 THR HA H 459 4.004 4.004 4.086 -0.082 18097 1222 1 2 . 1 1 170 170 THR C C 459 173.719 173.719 175.168 -1.449 18097 1223 1 2 . 1 1 170 170 THR CA C 459 64.549 64.549 64.815 -0.266 18097 1224 1 2 . 1 1 170 170 THR H H 459 7.382 7.382 7.795 -0.413 18097 1225 1 2 . 1 1 171 171 ASN N N 460 119.172 119.172 119.462 -0.290 18097 1226 1 2 . 1 1 171 171 ASN HA H 460 4.770 4.770 4.870 -0.100 18097 1227 1 2 . 1 1 171 171 ASN C C 460 173.835 173.835 174.265 -0.430 18097 1228 1 2 . 1 1 171 171 ASN CA C 460 49.674 49.674 51.262 -1.588 18097 1229 1 2 . 1 1 171 171 ASN H H 460 7.079 7.079 8.473 -1.394 18097 1230 1 2 . 1 1 172 172 HIS N N 461 111.334 111.334 116.902 -5.568 18097 1231 1 2 . 1 1 172 172 HIS HA H 461 3.942 3.942 4.042 -0.100 18097 1232 1 2 . 1 1 172 172 HIS C C 461 174.114 174.114 174.898 -0.784 18097 1233 1 2 . 1 1 172 172 HIS CA C 461 57.313 57.313 57.719 -0.407 18097 1234 1 2 . 1 1 172 172 HIS H H 461 7.350 7.350 7.787 -0.437 18097 1235 1 2 . 1 1 173 173 GLY N N 462 105.400 105.400 105.772 -0.372 18097 1236 1 2 . 1 1 173 173 GLY C C 462 173.603 173.603 174.465 -0.862 18097 1237 1 2 . 1 1 173 173 GLY CA C 462 47.486 47.486 45.534 1.952 18097 1238 1 2 . 1 1 173 173 GLY H H 462 7.818 7.818 7.915 -0.097 18097 1239 1 2 . 1 1 174 174 PHE N N 463 120.249 120.249 118.830 1.419 18097 1240 1 2 . 1 1 174 174 PHE HA H 463 4.423 4.423 4.539 -0.116 18097 1241 1 2 . 1 1 174 174 PHE C C 463 176.502 176.502 176.445 0.057 18097 1242 1 2 . 1 1 174 174 PHE CA C 463 57.549 57.549 57.928 -0.379 18097 1243 1 2 . 1 1 174 174 PHE H H 463 7.626 7.626 8.078 -0.452 18097 1244 1 2 . 1 1 175 175 LEU N N 464 125.969 125.969 125.285 0.684 18097 1245 1 2 . 1 1 175 175 LEU C C 464 176.780 176.780 176.303 0.477 18097 1246 1 2 . 1 1 175 175 LEU CA C 464 56.068 56.068 56.139 -0.071 18097 1247 1 2 . 1 1 175 175 LEU H H 464 8.561 8.561 8.684 -0.123 18097 1248 1 2 . 1 1 176 176 ILE N N 465 126.876 126.876 126.629 0.247 18097 1249 1 2 . 1 1 176 176 ILE C C 465 175.528 175.528 175.253 0.275 18097 1250 1 2 . 1 1 176 176 ILE CA C 465 63.169 63.169 63.641 -0.472 18097 1251 1 2 . 1 1 176 176 ILE H H 465 9.330 9.330 8.962 0.368 18097 1252 1 2 . 1 1 177 177 TYR N N 466 115.047 115.047 117.722 -2.675 18097 1253 1 2 . 1 1 177 177 TYR HA H 466 4.068 4.068 4.631 -0.563 18097 1254 1 2 . 1 1 177 177 TYR C C 466 171.006 171.006 172.738 -1.732 18097 1255 1 2 . 1 1 177 177 TYR CA C 466 59.097 59.097 57.181 1.916 18097 1256 1 2 . 1 1 177 177 TYR H H 466 7.212 7.212 7.532 -0.320 18097 1257 1 2 . 1 1 178 178 LYS N N 467 127.911 127.911 124.135 3.776 18097 1258 1 2 . 1 1 178 178 LYS C C 467 175.273 175.273 174.379 0.894 18097 1259 1 2 . 1 1 178 178 LYS CA C 467 54.520 54.520 55.275 -0.755 18097 1260 1 2 . 1 1 178 178 LYS H H 467 6.811 6.811 7.071 -0.260 18097 1261 1 2 . 1 1 179 179 PHE N N 468 126.383 126.383 126.954 -0.571 18097 1262 1 2 . 1 1 179 179 PHE HA H 468 4.632 4.632 4.715 -0.083 18097 1263 1 2 . 1 1 179 179 PHE C C 468 175.336 175.336 174.521 0.815 18097 1264 1 2 . 1 1 179 179 PHE CA C 468 58.289 58.289 58.690 -0.401 18097 1265 1 2 . 1 1 179 179 PHE H H 468 9.651 9.651 9.511 0.140 18097 1266 1 2 . 1 1 180 180 SER N N 469 115.506 115.506 116.367 -0.861 18097 1267 1 2 . 1 1 180 180 SER HA H 469 4.837 4.837 4.781 0.056 18097 1268 1 2 . 1 1 180 180 SER C C 469 172.861 172.861 174.886 -2.025 18097 1269 1 2 . 1 1 180 180 SER CA C 469 56.707 56.707 57.009 -0.302 18097 1270 1 2 . 1 1 180 180 SER H H 469 8.485 8.485 8.593 -0.108 18097 1271 1 2 . 1 1 181 181 GLN N N 470 117.133 117.133 118.582 -1.449 18097 1272 1 2 . 1 1 181 181 GLN HA H 470 3.629 3.629 3.829 -0.200 18097 1273 1 2 . 1 1 181 181 GLN C C 470 176.015 176.015 174.515 1.500 18097 1274 1 2 . 1 1 181 181 GLN CA C 470 56.472 56.472 56.842 -0.370 18097 1275 1 2 . 1 1 181 181 GLN H H 470 9.298 9.298 8.678 0.620 18097 1276 1 2 . 1 1 182 182 CYS N N 471 116.032 116.032 118.466 -2.434 18097 1277 1 2 . 1 1 182 182 CYS C C 471 175.899 175.899 175.639 0.260 18097 1278 1 2 . 1 1 182 182 CYS CA C 471 60.039 60.039 57.618 2.421 18097 1279 1 2 . 1 1 182 182 CYS H H 471 7.876 7.876 7.649 0.227 18097 1280 1 2 . 1 1 183 183 SER N N 472 118.074 118.074 120.608 -2.534 18097 1281 1 2 . 1 1 183 183 SER HA H 472 4.194 4.194 4.409 -0.215 18097 1282 1 2 . 1 1 183 183 SER C C 472 174.392 174.392 173.795 0.597 18097 1283 1 2 . 1 1 183 183 SER CA C 472 56.337 56.337 58.760 -2.423 18097 1284 1 2 . 1 1 183 183 SER H H 472 8.561 8.561 8.970 -0.409 18097 1285 1 2 . 1 1 184 184 PHE N N 473 125.605 125.605 126.313 -0.708 18097 1286 1 2 . 1 1 184 184 PHE HA H 473 4.825 4.825 4.572 0.253 18097 1287 1 2 . 1 1 184 184 PHE C C 473 175.157 175.157 176.174 -1.017 18097 1288 1 2 . 1 1 184 184 PHE CA C 473 52.534 52.534 54.873 -2.339 18097 1289 1 2 . 1 1 184 184 PHE H H 473 7.275 7.275 8.062 -0.787 18097 1290 1 2 . 1 1 188 188 VAL N N 477 111.123 111.123 118.445 -7.322 18097 1291 1 2 . 1 1 188 188 VAL C C 477 173.279 173.279 173.922 -0.643 18097 1292 1 2 . 1 1 188 188 VAL CA C 477 58.626 58.626 59.431 -0.805 18097 1293 1 2 . 1 1 188 188 VAL H H 477 7.959 7.959 7.791 0.168 18097 1294 1 2 . 1 1 189 189 PHE N N 478 114.592 114.592 119.039 -4.447 18097 1295 1 2 . 1 1 189 189 PHE CA C 478 54.957 54.957 54.485 0.472 18097 1296 1 2 . 1 1 189 189 PHE H H 478 8.774 8.774 9.609 -0.835 18097 1297 1 2 . 1 1 191 191 TYR N N 480 121.836 121.836 126.469 -4.633 18097 1298 1 2 . 1 1 191 191 TYR HA H 480 5.142 5.142 5.121 0.021 18097 1299 1 2 . 1 1 191 191 TYR C C 480 174.693 174.693 174.449 0.244 18097 1300 1 2 . 1 1 191 191 TYR CA C 480 57.078 57.078 57.174 -0.096 18097 1301 1 2 . 1 1 191 191 TYR H H 480 8.356 8.356 8.348 0.008 18097 1302 1 2 . 1 1 192 192 LEU N N 481 129.065 129.065 127.424 1.641 18097 1303 1 2 . 1 1 192 192 LEU HA H 481 4.605 4.605 4.856 -0.251 18097 1304 1 2 . 1 1 192 192 LEU C C 481 174.137 174.137 174.532 -0.395 18097 1305 1 2 . 1 1 192 192 LEU CA C 481 55.563 55.563 54.156 1.407 18097 1306 1 2 . 1 1 192 192 LEU H H 481 8.261 8.261 7.907 0.354 18097 1307 1 2 . 1 1 193 193 ASN N N 482 114.217 114.217 119.288 -5.071 18097 1308 1 2 . 1 1 193 193 ASN CA C 482 49.505 49.505 50.584 -1.079 18097 1309 1 2 . 1 1 193 193 ASN H H 482 8.007 8.007 8.155 -0.148 18097 1310 1 2 . 1 1 198 198 THR N N 487 121.563 121.563 122.166 -0.603 18097 1311 1 2 . 1 1 198 198 THR HA H 487 4.044 4.044 4.192 -0.148 18097 1312 1 2 . 1 1 198 198 THR C C 487 174.206 174.206 174.349 -0.143 18097 1313 1 2 . 1 1 198 198 THR CA C 487 63.203 63.203 63.267 -0.065 18097 1314 1 2 . 1 1 198 198 THR H H 487 8.265 8.265 8.440 -0.175 18097 1315 1 2 . 1 1 199 199 VAL N N 488 129.507 129.507 126.111 3.396 18097 1316 1 2 . 1 1 199 199 VAL C C 488 174.832 174.832 174.272 0.560 18097 1317 1 2 . 1 1 199 199 VAL CA C 488 61.419 61.419 60.843 0.576 18097 1318 1 2 . 1 1 199 199 VAL H H 488 8.737 8.737 7.562 1.175 18097 1319 1 2 . 1 1 201 201 MET N N 490 116.897 116.897 122.557 -5.660 18097 1320 1 2 . 1 1 201 201 MET HA H 490 5.073 5.073 5.258 -0.185 18097 1321 1 2 . 1 1 201 201 MET C C 490 175.180 175.180 175.452 -0.272 18097 1322 1 2 . 1 1 201 201 MET CA C 490 53.712 53.712 54.464 -0.751 18097 1323 1 2 . 1 1 201 201 MET H H 490 8.545 8.545 8.629 -0.084 18097 1324 1 2 . 1 1 202 202 THR N N 491 117.791 117.791 119.873 -2.082 18097 1325 1 2 . 1 1 202 202 THR HA H 491 4.977 4.977 4.998 -0.021 18097 1326 1 2 . 1 1 202 202 THR C C 491 173.981 173.981 174.248 -0.267 18097 1327 1 2 . 1 1 202 202 THR CA C 491 62.058 62.058 61.293 0.765 18097 1328 1 2 . 1 1 202 202 THR H H 491 8.312 8.312 8.253 0.059 18097 1329 1 2 . 1 1 203 203 LEU N N 492 129.237 129.237 123.303 5.934 18097 1330 1 2 . 1 1 203 203 LEU HA H 492 4.756 4.756 5.232 -0.476 18097 1331 1 2 . 1 1 203 203 LEU C C 492 176.131 176.131 176.961 -0.830 18097 1332 1 2 . 1 1 203 203 LEU CA C 492 55.294 55.294 53.570 1.724 18097 1333 1 2 . 1 1 203 203 LEU H H 492 9.048 9.048 8.393 0.655 18097 1334 1 2 . 1 1 204 204 CYS N N 493 122.012 122.012 121.684 0.328 18097 1335 1 2 . 1 1 204 204 CYS HA H 493 4.577 4.577 4.023 0.554 18097 1336 1 2 . 1 1 204 204 CYS C C 493 174.531 174.531 174.695 -0.164 18097 1337 1 2 . 1 1 204 204 CYS CA C 493 58.188 58.188 62.511 -4.323 18097 1338 1 2 . 1 1 204 204 CYS H H 493 8.609 8.609 8.958 -0.349 18097 1339 1 2 . 1 1 205 205 SER N N 494 120.249 120.249 111.302 8.947 18097 1340 1 2 . 1 1 205 205 SER C C 494 171.632 171.632 171.676 -0.044 18097 1341 1 2 . 1 1 205 205 SER CA C 494 56.909 56.909 57.803 -0.894 18097 1342 1 2 . 1 1 205 205 SER H H 494 8.665 8.665 8.465 0.200 18097 1343 1 3 . 1 1 3 3 GLU N N 292 122.345 122.345 122.810 -0.465 18097 1344 1 3 . 1 1 3 3 GLU HA H 292 3.992 3.992 3.988 0.004 18097 1345 1 3 . 1 1 3 3 GLU C C 292 178.218 178.218 177.673 0.545 18097 1346 1 3 . 1 1 3 3 GLU CA C 292 58.828 58.828 59.541 -0.713 18097 1347 1 3 . 1 1 3 3 GLU H H 292 8.831 8.831 8.521 0.310 18097 1348 1 3 . 1 1 4 4 LEU N N 293 121.001 121.001 118.240 2.761 18097 1349 1 3 . 1 1 4 4 LEU C C 293 177.175 177.175 177.611 -0.436 18097 1350 1 3 . 1 1 4 4 LEU CA C 293 57.044 57.044 57.154 -0.110 18097 1351 1 3 . 1 1 4 4 LEU H H 293 7.976 7.976 7.925 0.051 18097 1352 1 3 . 1 1 5 5 THR N N 294 113.069 113.069 114.368 -1.299 18097 1353 1 3 . 1 1 5 5 THR HA H 294 3.916 3.916 3.716 0.200 18097 1354 1 3 . 1 1 5 5 THR C C 294 176.200 176.200 175.373 0.827 18097 1355 1 3 . 1 1 5 5 THR CA C 294 66.164 66.164 66.540 -0.376 18097 1356 1 3 . 1 1 5 5 THR H H 294 7.535 7.535 7.471 0.064 18097 1357 1 3 . 1 1 6 6 ASP N N 295 119.926 119.926 119.985 -0.059 18097 1358 1 3 . 1 1 6 6 ASP HA H 295 4.085 4.085 4.354 -0.269 18097 1359 1 3 . 1 1 6 6 ASP C C 295 177.314 177.314 178.108 -0.794 18097 1360 1 3 . 1 1 6 6 ASP CA C 295 56.808 56.808 56.429 0.379 18097 1361 1 3 . 1 1 6 6 ASP H H 295 7.530 7.530 7.995 -0.465 18097 1362 1 3 . 1 1 7 7 ALA N N 296 121.726 121.726 122.357 -0.631 18097 1363 1 3 . 1 1 7 7 ALA HA H 296 4.109 4.109 3.446 0.663 18097 1364 1 3 . 1 1 7 7 ALA C C 296 178.659 178.659 179.115 -0.456 18097 1365 1 3 . 1 1 7 7 ALA CA C 296 54.655 54.655 53.858 0.797 18097 1366 1 3 . 1 1 7 7 ALA H H 296 7.227 7.227 6.991 0.236 18097 1367 1 3 . 1 1 8 8 ARG N N 297 112.468 112.468 116.476 -4.008 18097 1368 1 3 . 1 1 8 8 ARG C C 297 178.033 178.033 177.955 0.078 18097 1369 1 3 . 1 1 8 8 ARG CA C 297 58.424 58.424 57.879 0.545 18097 1370 1 3 . 1 1 8 8 ARG H H 297 7.370 7.370 7.326 0.044 18097 1371 1 3 . 1 1 9 9 ARG N N 298 118.926 118.926 118.558 0.368 18097 1372 1 3 . 1 1 9 9 ARG HA H 298 3.832 3.832 3.907 -0.075 18097 1373 1 3 . 1 1 9 9 ARG C C 298 176.827 176.827 176.933 -0.106 18097 1374 1 3 . 1 1 9 9 ARG CA C 298 58.289 58.289 58.182 0.107 18097 1375 1 3 . 1 1 9 9 ARG H H 298 7.059 7.059 7.103 -0.044 18097 1376 1 3 . 1 1 10 10 TYR N N 299 118.201 118.201 116.187 2.014 18097 1377 1 3 . 1 1 10 10 TYR HA H 299 4.853 4.853 4.739 0.114 18097 1378 1 3 . 1 1 10 10 TYR C C 299 174.832 174.832 174.362 0.470 18097 1379 1 3 . 1 1 10 10 TYR CA C 299 56.943 56.943 56.129 0.814 18097 1380 1 3 . 1 1 10 10 TYR H H 299 7.800 7.800 7.439 0.361 18097 1381 1 3 . 1 1 11 11 TRP N N 300 123.427 123.427 123.356 0.071 18097 1382 1 3 . 1 1 11 11 TRP HA H 300 4.577 4.577 5.301 -0.724 18097 1383 1 3 . 1 1 11 11 TRP C C 300 177.082 177.082 176.847 0.235 18097 1384 1 3 . 1 1 11 11 TRP CA C 300 58.558 58.558 58.344 0.214 18097 1385 1 3 . 1 1 11 11 TRP H H 300 7.122 7.122 7.646 -0.524 18097 1386 1 3 . 1 1 13 13 ASP N N 302 122.160 122.160 123.784 -1.624 18097 1387 1 3 . 1 1 13 13 ASP HA H 302 4.605 4.605 4.746 -0.141 18097 1388 1 3 . 1 1 13 13 ASP C C 302 174.786 174.786 175.761 -0.975 18097 1389 1 3 . 1 1 13 13 ASP CA C 302 53.005 53.005 53.956 -0.952 18097 1390 1 3 . 1 1 13 13 ASP H H 302 8.496 8.496 8.569 -0.073 18097 1391 1 3 . 1 1 14 14 VAL N N 303 126.934 126.934 125.878 1.056 18097 1392 1 3 . 1 1 14 14 VAL HA H 303 4.096 4.096 4.175 -0.079 18097 1393 1 3 . 1 1 14 14 VAL C C 303 174.670 174.670 175.608 -0.938 18097 1394 1 3 . 1 1 14 14 VAL CA C 303 62.429 62.429 61.200 1.228 18097 1395 1 3 . 1 1 14 14 VAL H H 303 7.877 7.877 8.104 -0.227 18097 1396 1 3 . 1 1 15 15 THR N N 304 114.829 114.829 118.627 -3.798 18097 1397 1 3 . 1 1 15 15 THR HA H 304 4.536 4.536 4.727 -0.191 18097 1398 1 3 . 1 1 15 15 THR C C 304 173.951 173.951 174.165 -0.214 18097 1399 1 3 . 1 1 15 15 THR CA C 304 58.592 58.592 60.308 -1.716 18097 1400 1 3 . 1 1 15 15 THR H H 304 8.321 8.321 8.278 0.043 18097 1401 1 3 . 1 1 16 16 LEU N N 305 121.392 121.392 125.029 -3.637 18097 1402 1 3 . 1 1 16 16 LEU HA H 305 4.322 4.322 4.496 -0.174 18097 1403 1 3 . 1 1 16 16 LEU C C 305 175.876 175.876 176.871 -0.995 18097 1404 1 3 . 1 1 16 16 LEU CA C 305 54.526 54.526 54.812 -0.286 18097 1405 1 3 . 1 1 16 16 LEU H H 305 8.967 8.967 8.503 0.464 18097 1406 1 3 . 1 1 17 17 ALA N N 306 124.039 124.039 125.468 -1.429 18097 1407 1 3 . 1 1 17 17 ALA HA H 306 4.385 4.385 4.792 -0.407 18097 1408 1 3 . 1 1 17 17 ALA C C 306 177.360 177.360 176.505 0.855 18097 1409 1 3 . 1 1 17 17 ALA CA C 306 50.515 50.515 50.630 -0.115 18097 1410 1 3 . 1 1 17 17 ALA H H 306 8.409 8.409 8.227 0.182 18097 1411 1 3 . 1 1 18 18 THR N N 307 114.041 114.041 115.485 -1.444 18097 1412 1 3 . 1 1 18 18 THR HA H 307 4.398 4.398 4.242 0.156 18097 1413 1 3 . 1 1 18 18 THR C C 307 174.206 174.206 174.019 0.187 18097 1414 1 3 . 1 1 18 18 THR CA C 307 61.722 61.722 62.316 -0.594 18097 1415 1 3 . 1 1 18 18 THR H H 307 8.146 8.146 8.431 -0.285 18097 1416 1 3 . 1 1 19 19 ASN N N 308 119.841 119.841 124.241 -4.400 18097 1417 1 3 . 1 1 19 19 ASN HA H 308 4.687 4.687 4.805 -0.118 18097 1418 1 3 . 1 1 19 19 ASN C C 308 174.577 174.577 175.193 -0.616 18097 1419 1 3 . 1 1 19 19 ASN CA C 308 52.871 52.871 51.955 0.916 18097 1420 1 3 . 1 1 19 19 ASN H H 308 8.470 8.470 8.432 0.038 18097 1421 1 3 . 1 1 38 38 PRO HA H 327 4.207 4.207 4.407 -0.200 18097 1422 1 3 . 1 1 38 38 PRO C C 327 176.641 176.641 178.075 -1.434 18097 1423 1 3 . 1 1 38 38 PRO CA C 327 63.443 63.443 62.916 0.527 18097 1424 1 3 . 1 1 38 38 PRO CB C 327 31.714 31.714 32.118 -0.404 18097 1425 1 3 . 1 1 39 39 GLN N N 328 118.424 118.424 118.389 0.035 18097 1426 1 3 . 1 1 39 39 GLN HA H 328 4.111 4.111 4.107 0.004 18097 1427 1 3 . 1 1 39 39 GLN C C 328 175.853 175.853 176.219 -0.366 18097 1428 1 3 . 1 1 39 39 GLN CA C 328 56.136 56.136 58.446 -2.310 18097 1429 1 3 . 1 1 39 39 GLN CB C 328 28.981 28.981 28.847 0.134 18097 1430 1 3 . 1 1 39 39 GLN H H 328 8.139 8.139 8.634 -0.495 18097 1431 1 3 . 1 1 40 40 ILE N N 329 119.966 119.966 108.367 11.599 18097 1432 1 3 . 1 1 40 40 ILE HA H 329 3.998 3.998 4.610 -0.612 18097 1433 1 3 . 1 1 40 40 ILE C C 329 175.690 175.690 175.946 -0.256 18097 1434 1 3 . 1 1 40 40 ILE CA C 329 60.601 60.601 58.886 1.715 18097 1435 1 3 . 1 1 40 40 ILE CB C 329 38.274 38.274 36.922 1.352 18097 1436 1 3 . 1 1 40 40 ILE H H 329 7.688 7.688 7.817 -0.129 18097 1437 1 3 . 1 1 41 41 MET N N 330 123.189 123.189 120.404 2.785 18097 1438 1 3 . 1 1 41 41 MET HA H 330 4.286 4.286 4.155 0.131 18097 1439 1 3 . 1 1 41 41 MET C C 330 175.389 175.389 175.229 0.160 18097 1440 1 3 . 1 1 41 41 MET CA C 330 55.046 55.046 56.554 -1.508 18097 1441 1 3 . 1 1 41 41 MET CB C 330 32.499 32.499 32.046 0.453 18097 1442 1 3 . 1 1 41 41 MET H H 330 8.044 8.044 8.271 -0.227 18097 1443 1 3 . 1 1 42 42 TYR N N 331 121.297 121.297 114.927 6.370 18097 1444 1 3 . 1 1 42 42 TYR HA H 331 4.398 4.398 4.162 0.236 18097 1445 1 3 . 1 1 42 42 TYR C C 331 174.879 174.879 174.483 0.396 18097 1446 1 3 . 1 1 42 42 TYR CA C 331 57.599 57.599 59.318 -1.719 18097 1447 1 3 . 1 1 42 42 TYR CB C 331 38.825 38.825 36.595 2.230 18097 1448 1 3 . 1 1 42 42 TYR H H 331 8.024 8.024 8.304 -0.280 18097 1449 1 3 . 1 1 43 43 GLN N N 332 122.431 122.431 118.000 4.431 18097 1450 1 3 . 1 1 43 43 GLN HA H 332 4.148 4.148 4.035 0.113 18097 1451 1 3 . 1 1 43 43 GLN C C 332 174.345 174.345 175.924 -1.579 18097 1452 1 3 . 1 1 43 43 GLN CA C 332 54.714 54.714 55.885 -1.171 18097 1453 1 3 . 1 1 43 43 GLN CB C 332 29.741 29.741 30.461 -0.720 18097 1454 1 3 . 1 1 43 43 GLN H H 332 7.894 7.894 7.694 0.200 18097 1455 1 3 . 1 1 44 44 ALA N N 333 126.670 126.670 125.723 0.947 18097 1456 1 3 . 1 1 44 44 ALA HA H 333 4.367 4.367 4.104 0.263 18097 1457 1 3 . 1 1 44 44 ALA C C 333 175.459 175.459 175.867 -0.408 18097 1458 1 3 . 1 1 44 44 ALA CA C 333 50.358 50.358 52.053 -1.695 18097 1459 1 3 . 1 1 44 44 ALA CB C 333 17.603 17.603 18.216 -0.613 18097 1460 1 3 . 1 1 44 44 ALA H H 333 8.141 8.141 7.593 0.548 18097 1461 1 3 . 1 1 45 45 PRO HA H 334 4.273 4.273 4.246 0.027 18097 1462 1 3 . 1 1 45 45 PRO CA C 334 63.318 63.318 62.791 0.527 18097 1463 1 3 . 1 1 45 45 PRO CB C 334 31.697 31.697 30.262 1.435 18097 1464 1 3 . 1 1 46 46 GLY N N 335 109.630 109.630 109.297 0.333 18097 1465 1 3 . 1 1 46 46 GLY C C 335 174.322 174.322 174.964 -0.642 18097 1466 1 3 . 1 1 46 46 GLY CA C 335 45.255 45.255 45.344 -0.089 18097 1467 1 3 . 1 1 46 46 GLY H H 335 8.478 8.478 8.500 -0.022 18097 1468 1 3 . 1 1 47 47 THR N N 336 113.015 113.015 117.820 -4.805 18097 1469 1 3 . 1 1 47 47 THR HA H 336 4.210 4.210 4.208 0.002 18097 1470 1 3 . 1 1 47 47 THR C C 336 174.067 174.067 174.778 -0.711 18097 1471 1 3 . 1 1 47 47 THR CA C 336 61.547 61.547 64.010 -2.462 18097 1472 1 3 . 1 1 47 47 THR CB C 336 69.516 69.516 69.618 -0.102 18097 1473 1 3 . 1 1 47 47 THR H H 336 7.734 7.734 8.189 -0.455 18097 1474 1 3 . 1 1 48 48 LEU N N 337 123.635 123.635 112.562 11.073 18097 1475 1 3 . 1 1 48 48 LEU HA H 337 4.152 4.152 4.200 -0.048 18097 1476 1 3 . 1 1 48 48 LEU C C 337 176.618 176.618 176.699 -0.081 18097 1477 1 3 . 1 1 48 48 LEU CA C 337 55.025 55.025 55.645 -0.620 18097 1478 1 3 . 1 1 48 48 LEU CB C 337 42.098 42.098 40.224 1.874 18097 1479 1 3 . 1 1 48 48 LEU H H 337 8.087 8.087 7.415 0.672 18097 1480 1 3 . 1 1 49 49 PHE N N 338 120.255 120.255 121.245 -0.990 18097 1481 1 3 . 1 1 49 49 PHE HA H 338 4.496 4.496 4.318 0.178 18097 1482 1 3 . 1 1 49 49 PHE C C 338 175.227 175.227 176.676 -1.449 18097 1483 1 3 . 1 1 49 49 PHE CA C 338 57.234 57.234 60.897 -3.663 18097 1484 1 3 . 1 1 49 49 PHE CB C 338 39.290 39.290 37.605 1.685 18097 1485 1 3 . 1 1 49 49 PHE H H 338 8.017 8.017 7.920 0.097 18097 1486 1 3 . 1 1 50 50 THR N N 339 115.141 115.141 110.893 4.248 18097 1487 1 3 . 1 1 50 50 THR HA H 339 4.137 4.137 4.159 -0.022 18097 1488 1 3 . 1 1 50 50 THR C C 339 173.255 173.255 174.234 -0.979 18097 1489 1 3 . 1 1 50 50 THR CA C 339 61.244 61.244 64.330 -3.086 18097 1490 1 3 . 1 1 50 50 THR CB C 339 69.643 69.643 67.896 1.747 18097 1491 1 3 . 1 1 50 50 THR H H 339 7.741 7.741 8.204 -0.463 18097 1492 1 3 . 1 1 51 51 PHE N N 340 122.603 122.603 114.114 8.489 18097 1493 1 3 . 1 1 51 51 PHE HA H 340 4.571 4.571 4.721 -0.150 18097 1494 1 3 . 1 1 51 51 PHE C C 340 173.858 173.858 172.551 1.307 18097 1495 1 3 . 1 1 51 51 PHE CA C 340 56.874 56.874 55.111 1.763 18097 1496 1 3 . 1 1 51 51 PHE CB C 340 39.250 39.250 37.726 1.524 18097 1497 1 3 . 1 1 51 51 PHE H H 340 7.996 7.996 7.284 0.712 18097 1498 1 3 . 1 1 52 52 PRO HA H 341 4.278 4.278 4.024 0.254 18097 1499 1 3 . 1 1 52 52 PRO CA C 341 63.297 63.297 63.773 -0.475 18097 1500 1 3 . 1 1 52 52 PRO CB C 341 31.190 31.190 30.744 0.446 18097 1501 1 3 . 1 1 53 53 SER N N 342 114.918 114.918 116.241 -1.323 18097 1502 1 3 . 1 1 53 53 SER HA H 342 4.334 4.334 4.469 -0.135 18097 1503 1 3 . 1 1 53 53 SER C C 342 174.508 174.508 176.324 -1.816 18097 1504 1 3 . 1 1 53 53 SER CA C 342 58.019 58.019 59.084 -1.065 18097 1505 1 3 . 1 1 53 53 SER CB C 342 63.587 63.587 63.428 0.159 18097 1506 1 3 . 1 1 53 53 SER H H 342 8.119 8.119 7.865 0.254 18097 1507 1 3 . 1 1 54 54 LEU N N 343 123.426 123.426 115.556 7.870 18097 1508 1 3 . 1 1 54 54 LEU HA H 343 4.307 4.307 4.186 0.121 18097 1509 1 3 . 1 1 54 54 LEU C C 343 177.314 177.314 177.256 0.058 18097 1510 1 3 . 1 1 54 54 LEU CA C 343 55.224 55.224 56.610 -1.386 18097 1511 1 3 . 1 1 54 54 LEU CB C 343 41.934 41.934 41.782 0.152 18097 1512 1 3 . 1 1 54 54 LEU H H 343 8.180 8.180 7.627 0.553 18097 1513 1 3 . 1 1 55 55 THR N N 344 112.921 112.921 110.971 1.950 18097 1514 1 3 . 1 1 55 55 THR HA H 344 4.144 4.144 4.296 -0.152 18097 1515 1 3 . 1 1 55 55 THR C C 344 173.928 173.928 174.323 -0.395 18097 1516 1 3 . 1 1 55 55 THR CA C 344 61.565 61.565 61.690 -0.125 18097 1517 1 3 . 1 1 55 55 THR CB C 344 69.396 69.396 68.742 0.654 18097 1518 1 3 . 1 1 55 55 THR H H 344 7.911 7.911 7.589 0.322 18097 1519 1 3 . 1 1 56 56 ASN N N 345 119.978 119.978 120.723 -0.745 18097 1520 1 3 . 1 1 56 56 ASN HA H 345 4.482 4.482 4.559 -0.077 18097 1521 1 3 . 1 1 56 56 ASN C C 345 174.137 174.137 175.586 -1.449 18097 1522 1 3 . 1 1 56 56 ASN CA C 345 52.938 52.938 54.994 -2.056 18097 1523 1 3 . 1 1 56 56 ASN CB C 345 38.110 38.110 38.883 -0.773 18097 1524 1 3 . 1 1 56 56 ASN H H 345 8.097 8.097 7.620 0.477 18097 1525 1 3 . 1 1 57 57 PHE N N 346 120.030 120.030 116.212 3.818 18097 1526 1 3 . 1 1 57 57 PHE HA H 346 4.482 4.482 4.218 0.264 18097 1527 1 3 . 1 1 57 57 PHE C C 346 174.693 174.693 173.372 1.321 18097 1528 1 3 . 1 1 57 57 PHE CA C 346 57.381 57.381 59.148 -1.768 18097 1529 1 3 . 1 1 57 57 PHE CB C 346 39.313 39.313 37.703 1.609 18097 1530 1 3 . 1 1 57 57 PHE H H 346 7.919 7.919 8.688 -0.769 18097 1531 1 3 . 1 1 58 58 ASN N N 347 125.759 125.759 115.078 10.681 18097 1532 1 3 . 1 1 58 58 ASN CA C 347 57.145 57.145 52.842 4.303 18097 1533 1 3 . 1 1 58 58 ASN H H 347 7.656 7.656 8.301 -0.645 18097 1534 1 3 . 1 1 64 64 LEU N N 353 120.532 120.532 120.552 -0.020 18097 1535 1 3 . 1 1 64 64 LEU HA H 353 4.398 4.398 5.368 -0.970 18097 1536 1 3 . 1 1 64 64 LEU C C 353 178.380 178.380 177.248 1.132 18097 1537 1 3 . 1 1 64 64 LEU CA C 353 51.933 51.933 52.294 -0.361 18097 1538 1 3 . 1 1 64 64 LEU H H 353 8.518 8.518 8.738 -0.220 18097 1539 1 3 . 1 1 65 65 GLY N N 354 102.514 102.514 106.402 -3.888 18097 1540 1 3 . 1 1 65 65 GLY C C 354 172.884 172.884 174.644 -1.760 18097 1541 1 3 . 1 1 65 65 GLY CA C 354 44.491 44.491 44.651 -0.160 18097 1542 1 3 . 1 1 65 65 GLY H H 354 8.051 8.051 8.079 -0.028 18097 1543 1 3 . 1 1 66 66 SER N N 355 113.869 113.869 113.187 0.682 18097 1544 1 3 . 1 1 66 66 SER HA H 355 4.015 4.015 4.221 -0.206 18097 1545 1 3 . 1 1 66 66 SER C C 355 174.276 174.276 175.100 -0.824 18097 1546 1 3 . 1 1 66 66 SER CA C 355 59.770 59.770 59.550 0.220 18097 1547 1 3 . 1 1 66 66 SER H H 355 8.724 8.724 8.542 0.182 18097 1548 1 3 . 1 1 67 67 GLN N N 356 121.985 121.985 120.520 1.465 18097 1549 1 3 . 1 1 67 67 GLN HA H 356 4.474 4.474 4.599 -0.125 18097 1550 1 3 . 1 1 67 67 GLN C C 356 173.905 173.905 174.676 -0.771 18097 1551 1 3 . 1 1 67 67 GLN CA C 356 54.655 54.655 54.546 0.109 18097 1552 1 3 . 1 1 67 67 GLN H H 356 7.995 7.995 8.017 -0.022 18097 1553 1 3 . 1 1 68 68 SER N N 357 118.695 118.695 117.350 1.345 18097 1554 1 3 . 1 1 68 68 SER HA H 357 4.852 4.852 3.662 1.190 18097 1555 1 3 . 1 1 68 68 SER C C 357 173.835 173.835 173.611 0.224 18097 1556 1 3 . 1 1 68 68 SER CA C 357 56.472 56.472 56.663 -0.191 18097 1557 1 3 . 1 1 68 68 SER H H 357 8.145 8.145 8.499 -0.354 18097 1558 1 3 . 1 1 69 69 ILE N N 358 123.370 123.370 121.789 1.581 18097 1559 1 3 . 1 1 69 69 ILE C C 358 175.018 175.018 174.511 0.507 18097 1560 1 3 . 1 1 69 69 ILE CA C 358 60.780 60.780 60.686 0.094 18097 1561 1 3 . 1 1 69 69 ILE H H 358 8.813 8.813 8.118 0.695 18097 1562 1 3 . 1 1 70 70 THR N N 359 113.324 113.324 116.533 -3.209 18097 1563 1 3 . 1 1 70 70 THR HA H 359 3.967 3.967 3.446 0.521 18097 1564 1 3 . 1 1 70 70 THR C C 359 172.026 172.026 173.021 -0.995 18097 1565 1 3 . 1 1 70 70 THR CA C 359 59.366 59.366 60.062 -0.696 18097 1566 1 3 . 1 1 70 70 THR H H 359 8.250 8.250 8.414 -0.164 18097 1567 1 3 . 1 1 71 71 SER N N 360 111.494 111.494 113.715 -2.221 18097 1568 1 3 . 1 1 71 71 SER HA H 360 4.085 4.085 4.452 -0.367 18097 1569 1 3 . 1 1 71 71 SER C C 360 173.835 173.835 173.633 0.202 18097 1570 1 3 . 1 1 71 71 SER CA C 360 57.818 57.818 58.330 -0.512 18097 1571 1 3 . 1 1 71 71 SER H H 360 6.964 6.964 7.051 -0.087 18097 1572 1 3 . 1 1 72 72 GLY N N 361 112.909 112.909 108.284 4.625 18097 1573 1 3 . 1 1 72 72 GLY C C 361 171.400 171.400 172.534 -1.134 18097 1574 1 3 . 1 1 72 72 GLY CA C 361 45.265 45.265 44.901 0.364 18097 1575 1 3 . 1 1 72 72 GLY H H 361 10.408 10.408 8.584 1.824 18097 1576 1 3 . 1 1 73 73 LYS N N 362 118.005 118.005 120.387 -2.382 18097 1577 1 3 . 1 1 73 73 LYS C C 362 175.366 175.366 175.563 -0.197 18097 1578 1 3 . 1 1 73 73 LYS CA C 362 54.621 54.621 55.290 -0.669 18097 1579 1 3 . 1 1 73 73 LYS H H 362 7.310 7.310 8.053 -0.743 18097 1580 1 3 . 1 1 74 74 HIS N N 363 118.405 118.405 119.362 -0.957 18097 1581 1 3 . 1 1 74 74 HIS HA H 363 4.880 4.880 5.385 -0.505 18097 1582 1 3 . 1 1 74 74 HIS C C 363 172.467 172.467 173.459 -0.992 18097 1583 1 3 . 1 1 74 74 HIS CA C 363 56.371 56.371 55.039 1.332 18097 1584 1 3 . 1 1 74 74 HIS H H 363 8.399 8.399 8.687 -0.288 18097 1585 1 3 . 1 1 75 75 TYR N N 364 125.182 125.182 124.077 1.105 18097 1586 1 3 . 1 1 75 75 TYR C C 364 172.852 172.852 172.977 -0.125 18097 1587 1 3 . 1 1 75 75 TYR CA C 364 55.361 55.361 56.275 -0.914 18097 1588 1 3 . 1 1 75 75 TYR H H 364 8.153 8.153 8.791 -0.638 18097 1589 1 3 . 1 1 76 76 TRP N N 365 123.210 123.210 124.041 -0.831 18097 1590 1 3 . 1 1 76 76 TRP C C 365 171.510 171.510 172.884 -1.374 18097 1591 1 3 . 1 1 76 76 TRP CA C 365 57.549 57.549 55.714 1.835 18097 1592 1 3 . 1 1 76 76 TRP H H 365 7.621 7.621 7.584 0.037 18097 1593 1 3 . 1 1 78 78 VAL N N 367 122.416 122.416 121.536 0.880 18097 1594 1 3 . 1 1 78 78 VAL HA H 367 4.756 4.756 4.799 -0.043 18097 1595 1 3 . 1 1 78 78 VAL C C 367 174.461 174.461 174.142 0.319 18097 1596 1 3 . 1 1 78 78 VAL CA C 367 60.208 60.208 60.361 -0.152 18097 1597 1 3 . 1 1 78 78 VAL H H 367 8.910 8.910 8.916 -0.006 18097 1598 1 3 . 1 1 79 79 ASP N N 368 128.257 128.257 128.125 0.132 18097 1599 1 3 . 1 1 79 79 ASP C C 368 175.343 175.343 175.600 -0.257 18097 1600 1 3 . 1 1 79 79 ASP CA C 368 53.914 53.914 53.128 0.786 18097 1601 1 3 . 1 1 79 79 ASP H H 368 9.795 9.795 9.145 0.650 18097 1602 1 3 . 1 1 80 80 VAL N N 369 118.519 118.519 121.031 -2.512 18097 1603 1 3 . 1 1 80 80 VAL C C 369 176.131 176.131 175.221 0.910 18097 1604 1 3 . 1 1 80 80 VAL CA C 369 59.027 59.027 59.932 -0.905 18097 1605 1 3 . 1 1 80 80 VAL H H 369 8.394 8.394 7.744 0.650 18097 1606 1 3 . 1 1 81 81 SER N N 370 123.584 123.584 120.250 3.334 18097 1607 1 3 . 1 1 81 81 SER C C 370 174.829 174.829 174.752 0.077 18097 1608 1 3 . 1 1 81 81 SER CA C 370 61.285 61.285 59.390 1.895 18097 1609 1 3 . 1 1 81 81 SER H H 370 8.754 8.754 8.458 0.296 18097 1610 1 3 . 1 1 82 82 LYS N N 371 115.025 115.025 119.999 -4.974 18097 1611 1 3 . 1 1 82 82 LYS C C 371 175.922 175.922 175.799 0.123 18097 1612 1 3 . 1 1 82 82 LYS CA C 371 58.222 58.222 57.788 0.434 18097 1613 1 3 . 1 1 82 82 LYS H H 371 8.789 8.789 8.943 -0.154 18097 1614 1 3 . 1 1 83 83 LYS N N 372 117.904 117.904 119.833 -1.929 18097 1615 1 3 . 1 1 83 83 LYS C C 372 177.824 177.824 177.353 0.471 18097 1616 1 3 . 1 1 83 83 LYS CA C 372 57.784 57.784 56.210 1.574 18097 1617 1 3 . 1 1 83 83 LYS H H 372 7.825 7.825 7.551 0.274 18097 1618 1 3 . 1 1 84 84 SER N N 373 122.569 122.569 116.857 5.712 18097 1619 1 3 . 1 1 84 84 SER HA H 373 4.348 4.348 4.488 -0.140 18097 1620 1 3 . 1 1 84 84 SER C C 373 172.270 172.270 173.029 -0.759 18097 1621 1 3 . 1 1 84 84 SER CA C 373 58.996 58.996 58.089 0.907 18097 1622 1 3 . 1 1 84 84 SER H H 373 9.839 9.839 8.646 1.193 18097 1623 1 3 . 1 1 85 85 ALA N N 374 120.821 120.821 120.466 0.355 18097 1624 1 3 . 1 1 85 85 ALA C C 374 174.253 174.253 174.797 -0.544 18097 1625 1 3 . 1 1 85 85 ALA CA C 374 51.020 51.020 51.752 -0.732 18097 1626 1 3 . 1 1 85 85 ALA H H 374 7.130 7.130 7.371 -0.241 18097 1627 1 3 . 1 1 86 86 TRP N N 375 109.378 109.378 116.031 -6.653 18097 1628 1 3 . 1 1 86 86 TRP C C 375 176.096 176.096 173.289 2.807 18097 1629 1 3 . 1 1 86 86 TRP CA C 375 56.909 56.909 56.511 0.398 18097 1630 1 3 . 1 1 86 86 TRP H H 375 7.876 7.876 7.679 0.197 18097 1631 1 3 . 1 1 87 87 ILE N N 376 118.409 118.409 121.662 -3.253 18097 1632 1 3 . 1 1 87 87 ILE C C 376 175.405 175.405 174.834 0.571 18097 1633 1 3 . 1 1 87 87 ILE CA C 376 60.679 60.679 59.888 0.791 18097 1634 1 3 . 1 1 87 87 ILE H H 376 9.270 9.270 9.169 0.101 18097 1635 1 3 . 1 1 88 88 LEU N N 377 122.952 122.952 121.950 1.002 18097 1636 1 3 . 1 1 88 88 LEU C C 377 174.967 174.967 175.966 -0.999 18097 1637 1 3 . 1 1 88 88 LEU CA C 377 54.520 54.520 53.220 1.300 18097 1638 1 3 . 1 1 88 88 LEU H H 377 9.422 9.422 8.660 0.762 18097 1639 1 3 . 1 1 89 89 GLY N N 378 103.446 103.446 108.233 -4.787 18097 1640 1 3 . 1 1 89 89 GLY C C 378 171.976 171.976 172.805 -0.829 18097 1641 1 3 . 1 1 89 89 GLY CA C 378 47.251 47.251 46.729 0.522 18097 1642 1 3 . 1 1 89 89 GLY H H 378 8.366 8.366 8.715 -0.349 18097 1643 1 3 . 1 1 90 90 VAL N N 379 130.348 130.348 121.321 9.027 18097 1644 1 3 . 1 1 90 90 VAL HA H 379 4.164 4.164 5.132 -0.968 18097 1645 1 3 . 1 1 90 90 VAL C C 379 172.847 172.847 174.027 -1.180 18097 1646 1 3 . 1 1 90 90 VAL CA C 379 60.477 60.477 61.223 -0.746 18097 1647 1 3 . 1 1 90 90 VAL H H 379 9.224 9.224 8.508 0.716 18097 1648 1 3 . 1 1 91 91 CYS N N 380 122.658 122.658 123.596 -0.938 18097 1649 1 3 . 1 1 91 91 CYS C C 380 173.630 173.630 173.682 -0.052 18097 1650 1 3 . 1 1 91 91 CYS CA C 380 55.429 55.429 55.525 -0.096 18097 1651 1 3 . 1 1 91 91 CYS H H 380 9.398 9.398 9.347 0.051 18097 1652 1 3 . 1 1 92 92 ALA N N 381 127.998 127.998 124.940 3.058 18097 1653 1 3 . 1 1 92 92 ALA HA H 381 5.049 5.049 5.060 -0.011 18097 1654 1 3 . 1 1 92 92 ALA C C 381 176.479 176.479 176.298 0.181 18097 1655 1 3 . 1 1 92 92 ALA CA C 381 52.400 52.400 51.272 1.128 18097 1656 1 3 . 1 1 92 92 ALA H H 381 9.478 9.478 7.994 1.484 18097 1657 1 3 . 1 1 93 93 GLY N N 382 108.533 108.533 105.145 3.388 18097 1658 1 3 . 1 1 93 93 GLY C C 382 173.580 173.580 172.773 0.807 18097 1659 1 3 . 1 1 93 93 GLY CA C 382 43.212 43.212 44.256 -1.044 18097 1660 1 3 . 1 1 93 93 GLY H H 382 8.194 8.194 7.258 0.936 18097 1661 1 3 . 1 1 94 94 PHE N N 383 116.476 116.476 118.355 -1.879 18097 1662 1 3 . 1 1 94 94 PHE HA H 383 4.536 4.536 4.979 -0.443 18097 1663 1 3 . 1 1 94 94 PHE C C 383 178.079 178.079 176.799 1.280 18097 1664 1 3 . 1 1 94 94 PHE CA C 383 56.627 56.627 56.405 0.222 18097 1665 1 3 . 1 1 94 94 PHE H H 383 8.290 8.290 8.280 0.010 18097 1666 1 3 . 1 1 105 105 ASN N N 394 112.033 112.033 116.079 -4.046 18097 1667 1 3 . 1 1 105 105 ASN HA H 394 4.715 4.715 4.979 -0.264 18097 1668 1 3 . 1 1 105 105 ASN C C 394 173.835 173.835 173.781 0.054 18097 1669 1 3 . 1 1 105 105 ASN CA C 394 51.929 51.929 52.198 -0.269 18097 1670 1 3 . 1 1 105 105 ASN H H 394 6.912 6.912 7.697 -0.785 18097 1671 1 3 . 1 1 106 106 GLU N N 395 117.585 117.585 116.414 1.171 18097 1672 1 3 . 1 1 106 106 GLU C C 395 175.574 175.574 175.050 0.524 18097 1673 1 3 . 1 1 106 106 GLU CA C 395 56.808 56.808 57.046 -0.238 18097 1674 1 3 . 1 1 106 106 GLU H H 395 7.354 7.354 7.715 -0.361 18097 1675 1 3 . 1 1 107 107 ASN N N 396 118.664 118.664 118.195 0.469 18097 1676 1 3 . 1 1 107 107 ASN HA H 396 4.536 4.536 4.671 -0.135 18097 1677 1 3 . 1 1 107 107 ASN C C 396 173.441 173.441 173.690 -0.249 18097 1678 1 3 . 1 1 107 107 ASN CA C 396 50.448 50.448 51.554 -1.107 18097 1679 1 3 . 1 1 107 107 ASN H H 396 8.082 8.082 7.544 0.538 18097 1680 1 3 . 1 1 108 108 TYR N N 397 117.301 117.301 120.813 -3.512 18097 1681 1 3 . 1 1 108 108 TYR HA H 397 4.605 4.605 3.909 0.696 18097 1682 1 3 . 1 1 108 108 TYR C C 397 173.186 173.186 174.727 -1.541 18097 1683 1 3 . 1 1 108 108 TYR CA C 397 55.530 55.530 58.283 -2.753 18097 1684 1 3 . 1 1 108 108 TYR H H 397 6.101 6.101 7.183 -1.082 18097 1685 1 3 . 1 1 109 109 GLN N N 398 114.934 114.934 120.918 -5.984 18097 1686 1 3 . 1 1 109 109 GLN C C 398 175.064 175.064 174.075 0.989 18097 1687 1 3 . 1 1 109 109 GLN CA C 398 53.241 53.241 52.772 0.470 18097 1688 1 3 . 1 1 109 109 GLN H H 398 6.115 6.115 8.378 -2.263 18097 1689 1 3 . 1 1 111 111 LYS N N 400 120.723 120.723 115.596 5.127 18097 1690 1 3 . 1 1 111 111 LYS HA H 400 4.068 4.068 3.988 0.080 18097 1691 1 3 . 1 1 111 111 LYS C C 400 177.244 177.244 177.124 0.120 18097 1692 1 3 . 1 1 111 111 LYS CA C 400 58.289 58.289 58.068 0.221 18097 1693 1 3 . 1 1 111 111 LYS H H 400 10.775 10.775 8.043 2.732 18097 1694 1 3 . 1 1 112 112 TYR N N 401 120.182 120.182 116.974 3.208 18097 1695 1 3 . 1 1 112 112 TYR HA H 401 3.612 3.612 4.516 -0.904 18097 1696 1 3 . 1 1 112 112 TYR C C 401 175.853 175.853 175.297 0.556 18097 1697 1 3 . 1 1 112 112 TYR CA C 401 53.847 53.847 56.193 -2.346 18097 1698 1 3 . 1 1 112 112 TYR H H 401 7.647 7.647 7.530 0.117 18097 1699 1 3 . 1 1 113 113 GLY N N 402 107.764 107.764 106.912 0.852 18097 1700 1 3 . 1 1 113 113 GLY C C 402 171.679 171.679 172.393 -0.714 18097 1701 1 3 . 1 1 113 113 GLY CA C 402 45.972 45.972 44.816 1.156 18097 1702 1 3 . 1 1 113 113 GLY H H 402 8.057 8.057 7.096 0.961 18097 1703 1 3 . 1 1 114 114 TYR N N 403 115.659 115.659 118.468 -2.809 18097 1704 1 3 . 1 1 114 114 TYR C C 403 173.013 173.013 174.841 -1.828 18097 1705 1 3 . 1 1 114 114 TYR CA C 403 57.515 57.515 56.692 0.823 18097 1706 1 3 . 1 1 114 114 TYR H H 403 6.585 6.585 7.052 -0.467 18097 1707 1 3 . 1 1 115 115 TRP N N 404 125.437 125.437 127.054 -1.617 18097 1708 1 3 . 1 1 115 115 TRP C C 404 175.405 175.405 174.598 0.807 18097 1709 1 3 . 1 1 115 115 TRP CA C 404 57.650 57.650 55.867 1.783 18097 1710 1 3 . 1 1 115 115 TRP H H 404 8.420 8.420 9.055 -0.635 18097 1711 1 3 . 1 1 116 116 VAL N N 405 116.317 116.317 115.756 0.561 18097 1712 1 3 . 1 1 116 116 VAL C C 405 174.368 174.368 174.022 0.346 18097 1713 1 3 . 1 1 116 116 VAL CA C 405 58.525 58.525 59.273 -0.748 18097 1714 1 3 . 1 1 116 116 VAL H H 405 9.825 9.825 7.725 2.100 18097 1715 1 3 . 1 1 117 117 ILE N N 406 110.464 110.464 114.569 -4.105 18097 1716 1 3 . 1 1 117 117 ILE C C 406 174.879 174.879 174.562 0.317 18097 1717 1 3 . 1 1 117 117 ILE CA C 406 58.929 58.929 58.667 0.262 18097 1718 1 3 . 1 1 117 117 ILE H H 406 8.268 8.268 8.523 -0.255 18097 1719 1 3 . 1 1 118 118 GLY N N 407 105.424 105.424 108.423 -2.999 18097 1720 1 3 . 1 1 118 118 GLY C C 407 169.418 169.418 170.972 -1.554 18097 1721 1 3 . 1 1 118 118 GLY CA C 407 45.770 45.770 43.718 2.052 18097 1722 1 3 . 1 1 118 118 GLY H H 407 9.115 9.115 8.908 0.207 18097 1723 1 3 . 1 1 119 119 LEU N N 408 118.628 118.628 119.915 -1.287 18097 1724 1 3 . 1 1 119 119 LEU C C 408 176.224 176.224 173.941 2.283 18097 1725 1 3 . 1 1 119 119 LEU CA C 408 52.265 52.265 52.445 -0.180 18097 1726 1 3 . 1 1 119 119 LEU H H 408 7.892 7.892 7.419 0.473 18097 1727 1 3 . 1 1 120 120 GLN N N 409 123.541 123.541 124.156 -0.615 18097 1728 1 3 . 1 1 120 120 GLN HA H 409 4.233 4.233 4.730 -0.497 18097 1729 1 3 . 1 1 120 120 GLN C C 409 173.000 173.000 175.173 -2.173 18097 1730 1 3 . 1 1 120 120 GLN CA C 409 54.284 54.284 54.611 -0.327 18097 1731 1 3 . 1 1 120 120 GLN H H 409 8.375 8.375 8.451 -0.076 18097 1732 1 3 . 1 1 121 121 GLU N N 410 117.179 117.179 120.602 -3.423 18097 1733 1 3 . 1 1 121 121 GLU C C 410 176.800 176.800 176.347 0.453 18097 1734 1 3 . 1 1 121 121 GLU CA C 410 56.809 56.809 57.184 -0.375 18097 1735 1 3 . 1 1 121 121 GLU H H 410 8.864 8.864 9.164 -0.300 18097 1736 1 3 . 1 1 125 125 TYR N N 414 128.783 128.783 123.369 5.414 18097 1737 1 3 . 1 1 125 125 TYR HA H 414 5.192 5.192 5.331 -0.139 18097 1738 1 3 . 1 1 125 125 TYR C C 414 176.827 176.827 176.280 0.547 18097 1739 1 3 . 1 1 125 125 TYR CA C 414 57.212 57.212 57.780 -0.568 18097 1740 1 3 . 1 1 125 125 TYR H H 414 9.145 9.145 8.505 0.640 18097 1741 1 3 . 1 1 126 126 SER N N 415 117.388 117.388 114.551 2.837 18097 1742 1 3 . 1 1 126 126 SER HA H 415 5.049 5.049 5.139 -0.090 18097 1743 1 3 . 1 1 126 126 SER C C 415 170.913 170.913 172.034 -1.121 18097 1744 1 3 . 1 1 126 126 SER CA C 415 57.482 57.482 57.989 -0.507 18097 1745 1 3 . 1 1 126 126 SER H H 415 9.192 9.192 9.129 0.063 18097 1746 1 3 . 1 1 127 127 VAL N N 416 119.557 119.557 121.037 -1.480 18097 1747 1 3 . 1 1 127 127 VAL C C 416 172.653 172.653 173.872 -1.219 18097 1748 1 3 . 1 1 127 127 VAL CA C 416 59.703 59.703 59.837 -0.134 18097 1749 1 3 . 1 1 127 127 VAL H H 416 8.761 8.761 8.757 0.004 18097 1750 1 3 . 1 1 128 128 PHE N N 417 127.341 127.341 129.019 -1.678 18097 1751 1 3 . 1 1 128 128 PHE HA H 417 4.267 4.267 4.615 -0.348 18097 1752 1 3 . 1 1 128 128 PHE C C 417 174.925 174.925 174.784 0.141 18097 1753 1 3 . 1 1 128 128 PHE CA C 417 58.458 58.458 59.391 -0.933 18097 1754 1 3 . 1 1 128 128 PHE H H 417 7.150 7.150 8.415 -1.265 18097 1755 1 3 . 1 1 129 129 GLN N N 418 122.834 122.834 121.138 1.696 18097 1756 1 3 . 1 1 129 129 GLN HA H 418 4.125 4.125 4.757 -0.632 18097 1757 1 3 . 1 1 129 129 GLN C C 418 176.038 176.038 175.062 0.976 18097 1758 1 3 . 1 1 129 129 GLN CA C 418 53.679 53.679 53.931 -0.252 18097 1759 1 3 . 1 1 129 129 GLN H H 418 8.693 8.693 7.721 0.972 18097 1760 1 3 . 1 1 130 130 ASP N N 419 119.994 119.994 120.371 -0.377 18097 1761 1 3 . 1 1 130 130 ASP HA H 419 4.964 4.964 4.695 0.269 18097 1762 1 3 . 1 1 130 130 ASP C C 419 178.218 178.218 176.703 1.515 18097 1763 1 3 . 1 1 130 130 ASP CA C 419 54.991 54.991 55.430 -0.439 18097 1764 1 3 . 1 1 130 130 ASP H H 419 8.425 8.425 8.505 -0.080 18097 1765 1 3 . 1 1 131 131 GLY N N 420 107.499 107.499 109.187 -1.688 18097 1766 1 3 . 1 1 131 131 GLY C C 420 174.415 174.415 173.376 1.039 18097 1767 1 3 . 1 1 131 131 GLY CA C 420 44.735 44.735 43.819 0.916 18097 1768 1 3 . 1 1 131 131 GLY H H 420 8.112 8.112 9.016 -0.904 18097 1769 1 3 . 1 1 132 132 SER N N 421 115.128 115.128 114.436 0.692 18097 1770 1 3 . 1 1 132 132 SER C C 421 176.177 176.177 176.229 -0.052 18097 1771 1 3 . 1 1 132 132 SER CA C 421 57.515 57.515 57.163 0.352 18097 1772 1 3 . 1 1 132 132 SER H H 421 8.016 8.016 8.494 -0.478 18097 1773 1 3 . 1 1 137 137 PHE N N 426 115.968 115.968 115.760 0.208 18097 1774 1 3 . 1 1 137 137 PHE HA H 426 4.525 4.525 4.607 -0.082 18097 1775 1 3 . 1 1 137 137 PHE C C 426 173.511 173.511 175.033 -1.522 18097 1776 1 3 . 1 1 137 137 PHE CA C 426 56.707 56.707 57.691 -0.983 18097 1777 1 3 . 1 1 137 137 PHE H H 426 7.817 7.817 7.667 0.150 18097 1778 1 3 . 1 1 138 138 ALA N N 427 124.435 124.435 121.104 3.331 18097 1779 1 3 . 1 1 138 138 ALA HA H 427 4.219 4.219 4.848 -0.629 18097 1780 1 3 . 1 1 138 138 ALA C C 427 173.835 173.835 174.316 -0.481 18097 1781 1 3 . 1 1 138 138 ALA CA C 427 48.933 48.933 49.461 -0.527 18097 1782 1 3 . 1 1 138 138 ALA H H 427 7.451 7.451 7.651 -0.200 18097 1783 1 3 . 1 1 140 140 PHE N N 429 122.819 122.819 121.937 0.882 18097 1784 1 3 . 1 1 140 140 PHE HA H 429 4.795 4.795 4.739 0.056 18097 1785 1 3 . 1 1 140 140 PHE C C 429 173.232 173.232 174.714 -1.482 18097 1786 1 3 . 1 1 140 140 PHE CA C 429 55.556 55.556 55.767 -0.211 18097 1787 1 3 . 1 1 140 140 PHE H H 429 8.009 8.009 8.105 -0.096 18097 1788 1 3 . 1 1 141 141 ILE N N 430 127.916 127.916 125.015 2.901 18097 1789 1 3 . 1 1 141 141 ILE HA H 430 3.992 3.992 3.692 0.300 18097 1790 1 3 . 1 1 141 141 ILE C C 430 175.459 175.459 175.449 0.010 18097 1791 1 3 . 1 1 141 141 ILE CA C 430 60.443 60.443 62.237 -1.794 18097 1792 1 3 . 1 1 141 141 ILE H H 430 8.069 8.069 7.658 0.411 18097 1793 1 3 . 1 1 142 142 VAL N N 431 131.283 131.283 128.153 3.130 18097 1794 1 3 . 1 1 142 142 VAL HA H 431 4.261 4.261 4.325 -0.064 18097 1795 1 3 . 1 1 142 142 VAL C C 431 173.580 173.580 173.766 -0.186 18097 1796 1 3 . 1 1 142 142 VAL CA C 431 58.828 58.828 58.783 0.045 18097 1797 1 3 . 1 1 142 142 VAL H H 431 8.332 8.332 8.154 0.178 18097 1798 1 3 . 1 1 145 145 SER N N 434 121.965 121.965 118.932 3.033 18097 1799 1 3 . 1 1 145 145 SER C C 434 174.529 174.529 173.946 0.583 18097 1800 1 3 . 1 1 145 145 SER H H 434 8.546 8.546 8.579 -0.033 18097 1801 1 3 . 1 1 149 149 CYS N N 438 126.863 126.863 127.587 -0.724 18097 1802 1 3 . 1 1 149 149 CYS C C 438 173.441 173.441 173.268 0.173 18097 1803 1 3 . 1 1 149 149 CYS CA C 438 58.256 58.256 58.505 -0.249 18097 1804 1 3 . 1 1 149 149 CYS H H 438 8.557 8.557 8.538 0.019 18097 1805 1 3 . 1 1 151 151 ASP N N 440 123.283 123.283 120.660 2.623 18097 1806 1 3 . 1 1 151 151 ASP HA H 440 4.550 4.550 4.782 -0.232 18097 1807 1 3 . 1 1 151 151 ASP C C 440 175.505 175.505 175.898 -0.393 18097 1808 1 3 . 1 1 151 151 ASP CA C 440 55.227 55.227 54.786 0.441 18097 1809 1 3 . 1 1 151 151 ASP H H 440 9.027 9.027 9.131 -0.104 18097 1810 1 3 . 1 1 152 152 ARG N N 441 116.407 116.407 118.786 -2.379 18097 1811 1 3 . 1 1 152 152 ARG HA H 441 4.316 4.316 4.902 -0.586 18097 1812 1 3 . 1 1 152 152 ARG C C 441 173.858 173.858 173.369 0.489 18097 1813 1 3 . 1 1 152 152 ARG CA C 441 54.486 54.486 55.864 -1.378 18097 1814 1 3 . 1 1 152 152 ARG H H 441 6.962 6.962 7.383 -0.421 18097 1815 1 3 . 1 1 153 153 VAL N N 442 123.155 123.155 125.742 -2.587 18097 1816 1 3 . 1 1 153 153 VAL C C 442 174.967 174.967 175.109 -0.142 18097 1817 1 3 . 1 1 153 153 VAL CA C 442 60.174 60.174 60.246 -0.072 18097 1818 1 3 . 1 1 153 153 VAL H H 442 8.689 8.689 8.801 -0.112 18097 1819 1 3 . 1 1 154 154 GLY N N 443 114.213 114.213 114.553 -0.340 18097 1820 1 3 . 1 1 154 154 GLY C C 443 171.584 171.584 172.725 -1.141 18097 1821 1 3 . 1 1 154 154 GLY CA C 443 44.827 44.827 43.801 1.026 18097 1822 1 3 . 1 1 154 154 GLY H H 443 9.100 9.100 8.960 0.140 18097 1823 1 3 . 1 1 155 155 VAL N N 444 126.435 126.435 125.165 1.270 18097 1824 1 3 . 1 1 155 155 VAL HA H 444 4.123 4.123 4.614 -0.491 18097 1825 1 3 . 1 1 155 155 VAL C C 444 171.856 171.856 173.586 -1.730 18097 1826 1 3 . 1 1 155 155 VAL CA C 444 60.712 60.712 60.079 0.633 18097 1827 1 3 . 1 1 155 155 VAL H H 444 8.485 8.485 8.392 0.093 18097 1828 1 3 . 1 1 156 156 PHE N N 445 122.110 122.110 129.231 -7.121 18097 1829 1 3 . 1 1 156 156 PHE HA H 445 4.580 4.580 5.382 -0.802 18097 1830 1 3 . 1 1 156 156 PHE C C 445 174.598 174.598 173.246 1.352 18097 1831 1 3 . 1 1 156 156 PHE CA C 445 53.174 53.174 54.735 -1.561 18097 1832 1 3 . 1 1 156 156 PHE H H 445 8.441 8.441 8.675 -0.234 18097 1833 1 3 . 1 1 157 157 VAL N N 446 130.057 130.057 127.222 2.835 18097 1834 1 3 . 1 1 157 157 VAL HA H 446 4.275 4.275 4.671 -0.396 18097 1835 1 3 . 1 1 157 157 VAL C C 446 172.086 172.086 173.692 -1.606 18097 1836 1 3 . 1 1 157 157 VAL CA C 446 59.837 59.837 60.769 -0.932 18097 1837 1 3 . 1 1 157 157 VAL H H 446 9.139 9.139 8.845 0.294 18097 1838 1 3 . 1 1 158 158 ASP N N 447 124.791 124.791 127.418 -2.627 18097 1839 1 3 . 1 1 158 158 ASP HA H 447 4.491 4.491 4.722 -0.231 18097 1840 1 3 . 1 1 158 158 ASP C C 447 176.456 176.456 176.376 0.080 18097 1841 1 3 . 1 1 158 158 ASP CA C 447 51.794 51.794 51.333 0.461 18097 1842 1 3 . 1 1 158 158 ASP H H 447 7.608 7.608 8.391 -0.783 18097 1843 1 3 . 1 1 159 159 TYR N N 448 125.168 125.168 126.251 -1.083 18097 1844 1 3 . 1 1 159 159 TYR HA H 448 3.793 3.793 4.015 -0.222 18097 1845 1 3 . 1 1 159 159 TYR C C 448 177.894 177.894 176.905 0.989 18097 1846 1 3 . 1 1 159 159 TYR CA C 448 61.688 61.688 63.075 -1.387 18097 1847 1 3 . 1 1 159 159 TYR H H 448 8.778 8.778 7.903 0.875 18097 1848 1 3 . 1 1 160 160 GLU N N 449 116.788 116.788 117.048 -0.260 18097 1849 1 3 . 1 1 160 160 GLU HA H 449 3.967 3.967 3.989 -0.022 18097 1850 1 3 . 1 1 160 160 GLU C C 449 178.520 178.520 177.971 0.549 18097 1851 1 3 . 1 1 160 160 GLU CA C 449 60.578 60.578 59.082 1.496 18097 1852 1 3 . 1 1 160 160 GLU H H 449 8.003 8.003 8.752 -0.749 18097 1853 1 3 . 1 1 161 161 ALA N N 450 119.184 119.184 118.909 0.275 18097 1854 1 3 . 1 1 161 161 ALA HA H 450 4.026 4.026 4.164 -0.138 18097 1855 1 3 . 1 1 161 161 ALA C C 450 176.664 176.664 177.193 -0.529 18097 1856 1 3 . 1 1 161 161 ALA CA C 450 51.895 51.895 52.568 -0.673 18097 1857 1 3 . 1 1 161 161 ALA H H 450 7.695 7.695 8.336 -0.641 18097 1858 1 3 . 1 1 162 162 CYS N N 451 112.485 112.485 115.710 -3.225 18097 1859 1 3 . 1 1 162 162 CYS C C 451 173.047 173.047 172.907 0.140 18097 1860 1 3 . 1 1 162 162 CYS CA C 451 59.063 59.063 59.420 -0.357 18097 1861 1 3 . 1 1 162 162 CYS H H 451 7.880 7.880 8.396 -0.516 18097 1862 1 3 . 1 1 163 163 THR N N 452 106.985 106.985 110.004 -3.019 18097 1863 1 3 . 1 1 163 163 THR C C 452 173.335 173.335 172.978 0.357 18097 1864 1 3 . 1 1 163 163 THR CA C 452 58.727 58.727 60.029 -1.302 18097 1865 1 3 . 1 1 163 163 THR H H 452 7.623 7.623 7.405 0.218 18097 1866 1 3 . 1 1 164 164 VAL N N 453 119.085 119.085 124.757 -5.672 18097 1867 1 3 . 1 1 164 164 VAL C C 453 174.741 174.741 174.986 -0.245 18097 1868 1 3 . 1 1 164 164 VAL CA C 453 61.756 61.756 60.931 0.825 18097 1869 1 3 . 1 1 164 164 VAL H H 453 7.900 7.900 8.641 -0.741 18097 1870 1 3 . 1 1 165 165 SER N N 454 121.792 121.792 123.110 -1.318 18097 1871 1 3 . 1 1 165 165 SER C C 454 170.888 170.888 173.155 -2.267 18097 1872 1 3 . 1 1 165 165 SER CA C 454 57.482 57.482 56.599 0.883 18097 1873 1 3 . 1 1 165 165 SER H H 454 9.034 9.034 8.872 0.162 18097 1874 1 3 . 1 1 166 166 PHE N N 455 117.889 117.889 120.630 -2.741 18097 1875 1 3 . 1 1 166 166 PHE C C 455 175.064 175.064 174.397 0.667 18097 1876 1 3 . 1 1 166 166 PHE CA C 455 55.361 55.361 56.450 -1.089 18097 1877 1 3 . 1 1 166 166 PHE H H 455 8.076 8.076 8.816 -0.740 18097 1878 1 3 . 1 1 167 167 PHE N N 456 121.297 121.297 121.450 -0.153 18097 1879 1 3 . 1 1 167 167 PHE C C 456 175.018 175.018 175.418 -0.400 18097 1880 1 3 . 1 1 167 167 PHE CA C 456 56.808 56.808 56.473 0.335 18097 1881 1 3 . 1 1 167 167 PHE H H 456 10.023 10.023 9.323 0.700 18097 1882 1 3 . 1 1 168 168 ASN N N 457 120.535 120.535 122.444 -1.909 18097 1883 1 3 . 1 1 168 168 ASN HA H 457 4.591 4.591 5.116 -0.525 18097 1884 1 3 . 1 1 168 168 ASN C C 457 175.157 175.157 176.055 -0.898 18097 1885 1 3 . 1 1 168 168 ASN CA C 457 51.659 51.659 50.593 1.066 18097 1886 1 3 . 1 1 168 168 ASN H H 457 9.646 9.646 8.923 0.723 18097 1887 1 3 . 1 1 169 169 ILE N N 458 124.615 124.615 124.475 0.140 18097 1888 1 3 . 1 1 169 169 ILE C C 458 176.548 176.548 177.310 -0.762 18097 1889 1 3 . 1 1 169 169 ILE CA C 458 62.698 62.698 63.740 -1.042 18097 1890 1 3 . 1 1 169 169 ILE H H 458 7.792 7.792 8.131 -0.339 18097 1891 1 3 . 1 1 170 170 THR N N 459 114.704 114.704 111.714 2.990 18097 1892 1 3 . 1 1 170 170 THR HA H 459 4.004 4.004 4.086 -0.082 18097 1893 1 3 . 1 1 170 170 THR C C 459 173.719 173.719 175.169 -1.450 18097 1894 1 3 . 1 1 170 170 THR CA C 459 64.549 64.549 64.820 -0.271 18097 1895 1 3 . 1 1 170 170 THR H H 459 7.382 7.382 7.794 -0.412 18097 1896 1 3 . 1 1 171 171 ASN N N 460 119.172 119.172 119.461 -0.289 18097 1897 1 3 . 1 1 171 171 ASN HA H 460 4.770 4.770 4.870 -0.100 18097 1898 1 3 . 1 1 171 171 ASN C C 460 173.835 173.835 174.266 -0.431 18097 1899 1 3 . 1 1 171 171 ASN CA C 460 49.674 49.674 51.262 -1.588 18097 1900 1 3 . 1 1 171 171 ASN H H 460 7.079 7.079 8.473 -1.394 18097 1901 1 3 . 1 1 172 172 HIS N N 461 111.334 111.334 116.901 -5.567 18097 1902 1 3 . 1 1 172 172 HIS HA H 461 3.942 3.942 4.042 -0.100 18097 1903 1 3 . 1 1 172 172 HIS C C 461 174.114 174.114 174.898 -0.784 18097 1904 1 3 . 1 1 172 172 HIS CA C 461 57.313 57.313 57.720 -0.407 18097 1905 1 3 . 1 1 172 172 HIS H H 461 7.350 7.350 7.787 -0.437 18097 1906 1 3 . 1 1 173 173 GLY N N 462 105.400 105.400 105.772 -0.372 18097 1907 1 3 . 1 1 173 173 GLY C C 462 173.603 173.603 174.465 -0.862 18097 1908 1 3 . 1 1 173 173 GLY CA C 462 47.486 47.486 45.534 1.952 18097 1909 1 3 . 1 1 173 173 GLY H H 462 7.818 7.818 7.915 -0.097 18097 1910 1 3 . 1 1 174 174 PHE N N 463 120.249 120.249 118.830 1.419 18097 1911 1 3 . 1 1 174 174 PHE HA H 463 4.423 4.423 4.539 -0.116 18097 1912 1 3 . 1 1 174 174 PHE C C 463 176.502 176.502 176.445 0.057 18097 1913 1 3 . 1 1 174 174 PHE CA C 463 57.549 57.549 57.928 -0.379 18097 1914 1 3 . 1 1 174 174 PHE H H 463 7.626 7.626 8.079 -0.453 18097 1915 1 3 . 1 1 175 175 LEU N N 464 125.969 125.969 125.286 0.683 18097 1916 1 3 . 1 1 175 175 LEU C C 464 176.780 176.780 176.303 0.477 18097 1917 1 3 . 1 1 175 175 LEU CA C 464 56.068 56.068 56.140 -0.072 18097 1918 1 3 . 1 1 175 175 LEU H H 464 8.561 8.561 8.684 -0.123 18097 1919 1 3 . 1 1 176 176 ILE N N 465 126.876 126.876 126.630 0.246 18097 1920 1 3 . 1 1 176 176 ILE C C 465 175.528 175.528 175.254 0.274 18097 1921 1 3 . 1 1 176 176 ILE CA C 465 63.169 63.169 63.642 -0.473 18097 1922 1 3 . 1 1 176 176 ILE H H 465 9.330 9.330 8.963 0.367 18097 1923 1 3 . 1 1 177 177 TYR N N 466 115.047 115.047 117.723 -2.676 18097 1924 1 3 . 1 1 177 177 TYR HA H 466 4.068 4.068 4.631 -0.563 18097 1925 1 3 . 1 1 177 177 TYR C C 466 171.006 171.006 172.738 -1.732 18097 1926 1 3 . 1 1 177 177 TYR CA C 466 59.097 59.097 57.182 1.915 18097 1927 1 3 . 1 1 177 177 TYR H H 466 7.212 7.212 7.533 -0.321 18097 1928 1 3 . 1 1 178 178 LYS N N 467 127.911 127.911 124.136 3.775 18097 1929 1 3 . 1 1 178 178 LYS C C 467 175.273 175.273 174.380 0.893 18097 1930 1 3 . 1 1 178 178 LYS CA C 467 54.520 54.520 55.276 -0.756 18097 1931 1 3 . 1 1 178 178 LYS H H 467 6.811 6.811 7.072 -0.261 18097 1932 1 3 . 1 1 179 179 PHE N N 468 126.383 126.383 126.591 -0.208 18097 1933 1 3 . 1 1 179 179 PHE HA H 468 4.632 4.632 4.763 -0.131 18097 1934 1 3 . 1 1 179 179 PHE C C 468 175.336 175.336 174.724 0.612 18097 1935 1 3 . 1 1 179 179 PHE CA C 468 58.289 58.289 58.612 -0.323 18097 1936 1 3 . 1 1 179 179 PHE H H 468 9.651 9.651 9.437 0.214 18097 1937 1 3 . 1 1 180 180 SER N N 469 115.506 115.506 117.137 -1.631 18097 1938 1 3 . 1 1 180 180 SER HA H 469 4.837 4.837 4.828 0.009 18097 1939 1 3 . 1 1 180 180 SER C C 469 172.861 172.861 174.001 -1.140 18097 1940 1 3 . 1 1 180 180 SER CA C 469 56.707 56.707 57.742 -1.035 18097 1941 1 3 . 1 1 180 180 SER H H 469 8.485 8.485 8.569 -0.084 18097 1942 1 3 . 1 1 181 181 GLN N N 470 117.133 117.133 118.425 -1.292 18097 1943 1 3 . 1 1 181 181 GLN HA H 470 3.629 3.629 3.806 -0.177 18097 1944 1 3 . 1 1 181 181 GLN C C 470 176.015 176.015 174.703 1.312 18097 1945 1 3 . 1 1 181 181 GLN CA C 470 56.472 56.472 56.688 -0.216 18097 1946 1 3 . 1 1 181 181 GLN H H 470 9.298 9.298 8.533 0.765 18097 1947 1 3 . 1 1 182 182 CYS N N 471 116.032 116.032 118.373 -2.341 18097 1948 1 3 . 1 1 182 182 CYS C C 471 175.899 175.899 175.473 0.426 18097 1949 1 3 . 1 1 182 182 CYS CA C 471 60.039 60.039 58.608 1.431 18097 1950 1 3 . 1 1 182 182 CYS H H 471 7.876 7.876 7.572 0.304 18097 1951 1 3 . 1 1 183 183 SER N N 472 118.074 118.074 120.447 -2.373 18097 1952 1 3 . 1 1 183 183 SER HA H 472 4.194 4.194 4.424 -0.230 18097 1953 1 3 . 1 1 183 183 SER C C 472 174.392 174.392 173.745 0.647 18097 1954 1 3 . 1 1 183 183 SER CA C 472 56.337 56.337 58.613 -2.276 18097 1955 1 3 . 1 1 183 183 SER H H 472 8.561 8.561 9.014 -0.453 18097 1956 1 3 . 1 1 184 184 PHE N N 473 125.605 125.605 125.962 -0.357 18097 1957 1 3 . 1 1 184 184 PHE HA H 473 4.825 4.825 4.457 0.368 18097 1958 1 3 . 1 1 184 184 PHE C C 473 175.157 175.157 175.952 -0.795 18097 1959 1 3 . 1 1 184 184 PHE CA C 473 52.534 52.534 55.167 -2.633 18097 1960 1 3 . 1 1 184 184 PHE H H 473 7.275 7.275 7.907 -0.632 18097 1961 1 3 . 1 1 188 188 VAL N N 477 111.123 111.123 118.931 -7.808 18097 1962 1 3 . 1 1 188 188 VAL C C 477 173.279 173.279 174.061 -0.782 18097 1963 1 3 . 1 1 188 188 VAL CA C 477 58.626 58.626 60.187 -1.561 18097 1964 1 3 . 1 1 188 188 VAL H H 477 7.959 7.959 7.795 0.164 18097 1965 1 3 . 1 1 189 189 PHE N N 478 114.592 114.592 118.696 -4.104 18097 1966 1 3 . 1 1 189 189 PHE CA C 478 54.957 54.957 54.341 0.616 18097 1967 1 3 . 1 1 189 189 PHE H H 478 8.774 8.774 9.572 -0.798 18097 1968 1 3 . 1 1 191 191 TYR N N 480 121.836 121.836 126.465 -4.629 18097 1969 1 3 . 1 1 191 191 TYR HA H 480 5.142 5.142 5.116 0.026 18097 1970 1 3 . 1 1 191 191 TYR C C 480 174.693 174.693 174.445 0.248 18097 1971 1 3 . 1 1 191 191 TYR CA C 480 57.078 57.078 57.170 -0.092 18097 1972 1 3 . 1 1 191 191 TYR H H 480 8.356 8.356 8.344 0.012 18097 1973 1 3 . 1 1 192 192 LEU N N 481 129.065 129.065 127.420 1.645 18097 1974 1 3 . 1 1 192 192 LEU HA H 481 4.605 4.605 4.853 -0.248 18097 1975 1 3 . 1 1 192 192 LEU C C 481 174.137 174.137 174.527 -0.390 18097 1976 1 3 . 1 1 192 192 LEU CA C 481 55.563 55.563 54.152 1.411 18097 1977 1 3 . 1 1 192 192 LEU H H 481 8.261 8.261 7.901 0.360 18097 1978 1 3 . 1 1 193 193 ASN N N 482 114.217 114.217 119.284 -5.067 18097 1979 1 3 . 1 1 193 193 ASN CA C 482 49.505 49.505 50.579 -1.074 18097 1980 1 3 . 1 1 193 193 ASN H H 482 8.007 8.007 8.152 -0.145 18097 1981 1 3 . 1 1 198 198 THR N N 487 121.563 121.563 123.821 -2.258 18097 1982 1 3 . 1 1 198 198 THR HA H 487 4.044 4.044 4.203 -0.159 18097 1983 1 3 . 1 1 198 198 THR C C 487 174.206 174.206 174.177 0.029 18097 1984 1 3 . 1 1 198 198 THR CA C 487 63.203 63.203 64.881 -1.678 18097 1985 1 3 . 1 1 198 198 THR H H 487 8.265 8.265 8.412 -0.147 18097 1986 1 3 . 1 1 199 199 VAL N N 488 129.507 129.507 124.896 4.611 18097 1987 1 3 . 1 1 199 199 VAL C C 488 174.832 174.832 174.150 0.682 18097 1988 1 3 . 1 1 199 199 VAL CA C 488 61.419 61.419 60.781 0.638 18097 1989 1 3 . 1 1 199 199 VAL H H 488 8.737 8.737 7.530 1.207 18097 1990 1 3 . 1 1 201 201 MET N N 490 116.897 116.897 123.163 -6.266 18097 1991 1 3 . 1 1 201 201 MET HA H 490 5.073 5.073 5.223 -0.150 18097 1992 1 3 . 1 1 201 201 MET C C 490 175.180 175.180 175.365 -0.185 18097 1993 1 3 . 1 1 201 201 MET CA C 490 53.712 53.712 54.454 -0.742 18097 1994 1 3 . 1 1 201 201 MET H H 490 8.545 8.545 8.647 -0.102 18097 1995 1 3 . 1 1 202 202 THR N N 491 117.791 117.791 119.640 -1.849 18097 1996 1 3 . 1 1 202 202 THR HA H 491 4.977 4.977 5.020 -0.043 18097 1997 1 3 . 1 1 202 202 THR C C 491 173.981 173.981 174.084 -0.103 18097 1998 1 3 . 1 1 202 202 THR CA C 491 62.058 62.058 61.664 0.393 18097 1999 1 3 . 1 1 202 202 THR H H 491 8.312 8.312 8.240 0.072 18097 2000 1 3 . 1 1 203 203 LEU N N 492 129.237 129.237 123.355 5.882 18097 2001 1 3 . 1 1 203 203 LEU HA H 492 4.756 4.756 5.168 -0.412 18097 2002 1 3 . 1 1 203 203 LEU C C 492 176.131 176.131 176.903 -0.772 18097 2003 1 3 . 1 1 203 203 LEU CA C 492 55.294 55.294 53.845 1.449 18097 2004 1 3 . 1 1 203 203 LEU H H 492 9.048 9.048 8.145 0.903 18097 2005 1 3 . 1 1 204 204 CYS N N 493 122.012 122.012 120.988 1.024 18097 2006 1 3 . 1 1 204 204 CYS HA H 493 4.577 4.577 4.037 0.540 18097 2007 1 3 . 1 1 204 204 CYS C C 493 174.531 174.531 174.202 0.329 18097 2008 1 3 . 1 1 204 204 CYS CA C 493 58.188 58.188 62.069 -3.881 18097 2009 1 3 . 1 1 204 204 CYS H H 493 8.609 8.609 8.728 -0.119 18097 2010 1 3 . 1 1 205 205 SER N N 494 120.249 120.249 111.869 8.380 18097 2011 1 3 . 1 1 205 205 SER C C 494 171.632 171.632 171.728 -0.096 18097 2012 1 3 . 1 1 205 205 SER CA C 494 56.909 56.909 57.306 -0.397 18097 2013 1 3 . 1 1 205 205 SER H H 494 8.665 8.665 8.443 0.222 18097 2014 1 4 . 1 1 3 3 GLU N N 292 122.345 122.345 122.524 -0.179 18097 2015 1 4 . 1 1 3 3 GLU HA H 292 3.992 3.992 3.988 0.004 18097 2016 1 4 . 1 1 3 3 GLU C C 292 178.218 178.218 177.459 0.759 18097 2017 1 4 . 1 1 3 3 GLU CA C 292 58.828 58.828 59.491 -0.663 18097 2018 1 4 . 1 1 3 3 GLU H H 292 8.831 8.831 8.575 0.256 18097 2019 1 4 . 1 1 4 4 LEU N N 293 121.001 121.001 118.326 2.675 18097 2020 1 4 . 1 1 4 4 LEU C C 293 177.175 177.175 177.619 -0.444 18097 2021 1 4 . 1 1 4 4 LEU CA C 293 57.044 57.044 57.277 -0.233 18097 2022 1 4 . 1 1 4 4 LEU H H 293 7.976 7.976 7.957 0.019 18097 2023 1 4 . 1 1 5 5 THR N N 294 113.069 113.069 113.960 -0.891 18097 2024 1 4 . 1 1 5 5 THR HA H 294 3.916 3.916 3.714 0.202 18097 2025 1 4 . 1 1 5 5 THR C C 294 176.200 176.200 175.379 0.821 18097 2026 1 4 . 1 1 5 5 THR CA C 294 66.164 66.164 66.415 -0.251 18097 2027 1 4 . 1 1 5 5 THR H H 294 7.535 7.535 7.488 0.047 18097 2028 1 4 . 1 1 6 6 ASP N N 295 119.926 119.926 119.771 0.155 18097 2029 1 4 . 1 1 6 6 ASP HA H 295 4.085 4.085 4.354 -0.269 18097 2030 1 4 . 1 1 6 6 ASP C C 295 177.314 177.314 177.996 -0.682 18097 2031 1 4 . 1 1 6 6 ASP CA C 295 56.808 56.808 56.317 0.491 18097 2032 1 4 . 1 1 6 6 ASP H H 295 7.530 7.530 7.978 -0.448 18097 2033 1 4 . 1 1 7 7 ALA N N 296 121.726 121.726 122.356 -0.630 18097 2034 1 4 . 1 1 7 7 ALA HA H 296 4.109 4.109 3.446 0.663 18097 2035 1 4 . 1 1 7 7 ALA C C 296 178.659 178.659 179.115 -0.456 18097 2036 1 4 . 1 1 7 7 ALA CA C 296 54.655 54.655 53.858 0.797 18097 2037 1 4 . 1 1 7 7 ALA H H 296 7.227 7.227 6.990 0.237 18097 2038 1 4 . 1 1 8 8 ARG N N 297 112.468 112.468 116.475 -4.007 18097 2039 1 4 . 1 1 8 8 ARG C C 297 178.033 178.033 177.954 0.079 18097 2040 1 4 . 1 1 8 8 ARG CA C 297 58.424 58.424 57.879 0.545 18097 2041 1 4 . 1 1 8 8 ARG H H 297 7.370 7.370 7.326 0.044 18097 2042 1 4 . 1 1 9 9 ARG N N 298 118.926 118.926 118.557 0.369 18097 2043 1 4 . 1 1 9 9 ARG HA H 298 3.832 3.832 3.907 -0.075 18097 2044 1 4 . 1 1 9 9 ARG C C 298 176.827 176.827 176.932 -0.105 18097 2045 1 4 . 1 1 9 9 ARG CA C 298 58.289 58.289 58.182 0.107 18097 2046 1 4 . 1 1 9 9 ARG H H 298 7.059 7.059 7.102 -0.043 18097 2047 1 4 . 1 1 10 10 TYR N N 299 118.201 118.201 116.187 2.014 18097 2048 1 4 . 1 1 10 10 TYR HA H 299 4.853 4.853 4.739 0.114 18097 2049 1 4 . 1 1 10 10 TYR C C 299 174.832 174.832 174.362 0.470 18097 2050 1 4 . 1 1 10 10 TYR CA C 299 56.943 56.943 56.129 0.814 18097 2051 1 4 . 1 1 10 10 TYR H H 299 7.800 7.800 7.439 0.361 18097 2052 1 4 . 1 1 11 11 TRP N N 300 123.427 123.427 123.312 0.115 18097 2053 1 4 . 1 1 11 11 TRP HA H 300 4.577 4.577 5.296 -0.719 18097 2054 1 4 . 1 1 11 11 TRP C C 300 177.082 177.082 176.922 0.160 18097 2055 1 4 . 1 1 11 11 TRP CA C 300 58.558 58.558 58.384 0.174 18097 2056 1 4 . 1 1 11 11 TRP H H 300 7.122 7.122 7.638 -0.516 18097 2057 1 4 . 1 1 13 13 ASP N N 302 122.160 122.160 123.595 -1.435 18097 2058 1 4 . 1 1 13 13 ASP HA H 302 4.605 4.605 4.715 -0.110 18097 2059 1 4 . 1 1 13 13 ASP C C 302 174.786 174.786 175.849 -1.063 18097 2060 1 4 . 1 1 13 13 ASP CA C 302 53.005 53.005 54.132 -1.127 18097 2061 1 4 . 1 1 13 13 ASP H H 302 8.496 8.496 8.610 -0.114 18097 2062 1 4 . 1 1 14 14 VAL N N 303 126.934 126.934 126.224 0.710 18097 2063 1 4 . 1 1 14 14 VAL HA H 303 4.096 4.096 4.189 -0.093 18097 2064 1 4 . 1 1 14 14 VAL C C 303 174.670 174.670 175.645 -0.975 18097 2065 1 4 . 1 1 14 14 VAL CA C 303 62.429 62.429 61.444 0.985 18097 2066 1 4 . 1 1 14 14 VAL H H 303 7.877 7.877 8.115 -0.238 18097 2067 1 4 . 1 1 15 15 THR N N 304 114.829 114.829 118.756 -3.927 18097 2068 1 4 . 1 1 15 15 THR HA H 304 4.536 4.536 4.760 -0.224 18097 2069 1 4 . 1 1 15 15 THR C C 304 173.951 173.951 174.138 -0.187 18097 2070 1 4 . 1 1 15 15 THR CA C 304 58.592 58.592 60.190 -1.598 18097 2071 1 4 . 1 1 15 15 THR H H 304 8.321 8.321 8.249 0.072 18097 2072 1 4 . 1 1 16 16 LEU N N 305 121.392 121.392 125.118 -3.726 18097 2073 1 4 . 1 1 16 16 LEU HA H 305 4.322 4.322 4.498 -0.176 18097 2074 1 4 . 1 1 16 16 LEU C C 305 175.876 175.876 176.698 -0.822 18097 2075 1 4 . 1 1 16 16 LEU CA C 305 54.526 54.526 54.882 -0.356 18097 2076 1 4 . 1 1 16 16 LEU H H 305 8.967 8.967 8.503 0.464 18097 2077 1 4 . 1 1 17 17 ALA N N 306 124.039 124.039 125.475 -1.436 18097 2078 1 4 . 1 1 17 17 ALA HA H 306 4.385 4.385 4.797 -0.412 18097 2079 1 4 . 1 1 17 17 ALA C C 306 177.360 177.360 176.517 0.843 18097 2080 1 4 . 1 1 17 17 ALA CA C 306 50.515 50.515 50.637 -0.122 18097 2081 1 4 . 1 1 17 17 ALA H H 306 8.409 8.409 8.233 0.176 18097 2082 1 4 . 1 1 18 18 THR N N 307 114.041 114.041 115.506 -1.465 18097 2083 1 4 . 1 1 18 18 THR HA H 307 4.398 4.398 4.257 0.141 18097 2084 1 4 . 1 1 18 18 THR C C 307 174.206 174.206 174.037 0.169 18097 2085 1 4 . 1 1 18 18 THR CA C 307 61.722 61.722 62.329 -0.607 18097 2086 1 4 . 1 1 18 18 THR H H 307 8.146 8.146 8.440 -0.294 18097 2087 1 4 . 1 1 19 19 ASN N N 308 119.841 119.841 124.044 -4.203 18097 2088 1 4 . 1 1 19 19 ASN HA H 308 4.687 4.687 4.831 -0.144 18097 2089 1 4 . 1 1 19 19 ASN C C 308 174.577 174.577 174.952 -0.375 18097 2090 1 4 . 1 1 19 19 ASN CA C 308 52.871 52.871 52.143 0.728 18097 2091 1 4 . 1 1 19 19 ASN H H 308 8.470 8.470 8.444 0.026 18097 2092 1 4 . 1 1 38 38 PRO HA H 327 4.207 4.207 4.685 -0.478 18097 2093 1 4 . 1 1 38 38 PRO C C 327 176.641 176.641 176.213 0.428 18097 2094 1 4 . 1 1 38 38 PRO CA C 327 63.443 63.443 62.970 0.473 18097 2095 1 4 . 1 1 38 38 PRO CB C 327 31.714 31.714 32.690 -0.976 18097 2096 1 4 . 1 1 39 39 GLN N N 328 118.424 118.424 118.251 0.173 18097 2097 1 4 . 1 1 39 39 GLN HA H 328 4.111 4.111 4.464 -0.353 18097 2098 1 4 . 1 1 39 39 GLN C C 328 175.853 175.853 176.211 -0.358 18097 2099 1 4 . 1 1 39 39 GLN CA C 328 56.136 56.136 57.040 -0.904 18097 2100 1 4 . 1 1 39 39 GLN CB C 328 28.981 28.981 30.065 -1.084 18097 2101 1 4 . 1 1 39 39 GLN H H 328 8.139 8.139 8.528 -0.389 18097 2102 1 4 . 1 1 40 40 ILE N N 329 119.966 119.966 116.589 3.377 18097 2103 1 4 . 1 1 40 40 ILE HA H 329 3.998 3.998 4.467 -0.469 18097 2104 1 4 . 1 1 40 40 ILE C C 329 175.690 175.690 174.176 1.514 18097 2105 1 4 . 1 1 40 40 ILE CA C 329 60.601 60.601 61.333 -0.732 18097 2106 1 4 . 1 1 40 40 ILE CB C 329 38.274 38.274 38.888 -0.614 18097 2107 1 4 . 1 1 40 40 ILE H H 329 7.688 7.688 7.720 -0.032 18097 2108 1 4 . 1 1 41 41 MET N N 330 123.189 123.189 119.567 3.622 18097 2109 1 4 . 1 1 41 41 MET HA H 330 4.286 4.286 4.236 0.050 18097 2110 1 4 . 1 1 41 41 MET C C 330 175.389 175.389 174.972 0.417 18097 2111 1 4 . 1 1 41 41 MET CA C 330 55.046 55.046 56.729 -1.683 18097 2112 1 4 . 1 1 41 41 MET CB C 330 32.499 32.499 30.490 2.009 18097 2113 1 4 . 1 1 41 41 MET H H 330 8.044 8.044 8.069 -0.025 18097 2114 1 4 . 1 1 42 42 TYR N N 331 121.297 121.297 116.720 4.577 18097 2115 1 4 . 1 1 42 42 TYR HA H 331 4.398 4.398 4.097 0.301 18097 2116 1 4 . 1 1 42 42 TYR C C 331 174.879 174.879 174.448 0.431 18097 2117 1 4 . 1 1 42 42 TYR CA C 331 57.599 57.599 59.881 -2.282 18097 2118 1 4 . 1 1 42 42 TYR CB C 331 38.825 38.825 36.779 2.046 18097 2119 1 4 . 1 1 42 42 TYR H H 331 8.024 8.024 8.552 -0.528 18097 2120 1 4 . 1 1 43 43 GLN N N 332 122.431 122.431 115.914 6.517 18097 2121 1 4 . 1 1 43 43 GLN HA H 332 4.148 4.148 4.054 0.094 18097 2122 1 4 . 1 1 43 43 GLN C C 332 174.345 174.345 175.681 -1.336 18097 2123 1 4 . 1 1 43 43 GLN CA C 332 54.714 54.714 55.095 -0.381 18097 2124 1 4 . 1 1 43 43 GLN CB C 332 29.741 29.741 30.185 -0.444 18097 2125 1 4 . 1 1 43 43 GLN H H 332 7.894 7.894 7.420 0.474 18097 2126 1 4 . 1 1 44 44 ALA N N 333 126.670 126.670 126.275 0.395 18097 2127 1 4 . 1 1 44 44 ALA HA H 333 4.367 4.367 3.902 0.465 18097 2128 1 4 . 1 1 44 44 ALA C C 333 175.459 175.459 175.657 -0.198 18097 2129 1 4 . 1 1 44 44 ALA CA C 333 50.358 50.358 52.078 -1.720 18097 2130 1 4 . 1 1 44 44 ALA CB C 333 17.603 17.603 18.213 -0.610 18097 2131 1 4 . 1 1 44 44 ALA H H 333 8.141 8.141 7.530 0.611 18097 2132 1 4 . 1 1 45 45 PRO HA H 334 4.273 4.273 4.295 -0.022 18097 2133 1 4 . 1 1 45 45 PRO CA C 334 63.318 63.318 62.596 0.722 18097 2134 1 4 . 1 1 45 45 PRO CB C 334 31.697 31.697 31.858 -0.161 18097 2135 1 4 . 1 1 46 46 GLY N N 335 109.630 109.630 104.450 5.180 18097 2136 1 4 . 1 1 46 46 GLY C C 335 174.322 174.322 174.432 -0.110 18097 2137 1 4 . 1 1 46 46 GLY CA C 335 45.255 45.255 45.314 -0.059 18097 2138 1 4 . 1 1 46 46 GLY H H 335 8.478 8.478 8.277 0.201 18097 2139 1 4 . 1 1 47 47 THR N N 336 113.015 113.015 114.560 -1.545 18097 2140 1 4 . 1 1 47 47 THR HA H 336 4.210 4.210 4.409 -0.199 18097 2141 1 4 . 1 1 47 47 THR C C 336 174.067 174.067 174.526 -0.459 18097 2142 1 4 . 1 1 47 47 THR CA C 336 61.547 61.547 60.722 0.825 18097 2143 1 4 . 1 1 47 47 THR CB C 336 69.516 69.516 69.345 0.171 18097 2144 1 4 . 1 1 47 47 THR H H 336 7.734 7.734 7.522 0.212 18097 2145 1 4 . 1 1 48 48 LEU N N 337 123.635 123.635 118.295 5.340 18097 2146 1 4 . 1 1 48 48 LEU HA H 337 4.152 4.152 3.451 0.701 18097 2147 1 4 . 1 1 48 48 LEU C C 337 176.618 176.618 177.510 -0.892 18097 2148 1 4 . 1 1 48 48 LEU CA C 337 55.025 55.025 57.662 -2.637 18097 2149 1 4 . 1 1 48 48 LEU CB C 337 42.098 42.098 38.846 3.252 18097 2150 1 4 . 1 1 48 48 LEU H H 337 8.087 8.087 7.691 0.396 18097 2151 1 4 . 1 1 49 49 PHE N N 338 120.255 120.255 116.125 4.130 18097 2152 1 4 . 1 1 49 49 PHE HA H 338 4.496 4.496 4.230 0.266 18097 2153 1 4 . 1 1 49 49 PHE C C 338 175.227 175.227 176.773 -1.546 18097 2154 1 4 . 1 1 49 49 PHE CA C 338 57.234 57.234 59.603 -2.369 18097 2155 1 4 . 1 1 49 49 PHE CB C 338 39.290 39.290 38.124 1.166 18097 2156 1 4 . 1 1 49 49 PHE H H 338 8.017 8.017 7.684 0.334 18097 2157 1 4 . 1 1 50 50 THR N N 339 115.141 115.141 111.616 3.525 18097 2158 1 4 . 1 1 50 50 THR HA H 339 4.137 4.137 3.393 0.744 18097 2159 1 4 . 1 1 50 50 THR C C 339 173.255 173.255 173.889 -0.634 18097 2160 1 4 . 1 1 50 50 THR CA C 339 61.244 61.244 64.075 -2.831 18097 2161 1 4 . 1 1 50 50 THR CB C 339 69.643 69.643 67.871 1.772 18097 2162 1 4 . 1 1 50 50 THR H H 339 7.741 7.741 7.388 0.353 18097 2163 1 4 . 1 1 51 51 PHE N N 340 122.603 122.603 116.468 6.135 18097 2164 1 4 . 1 1 51 51 PHE HA H 340 4.571 4.571 4.729 -0.158 18097 2165 1 4 . 1 1 51 51 PHE C C 340 173.858 173.858 172.961 0.897 18097 2166 1 4 . 1 1 51 51 PHE CA C 340 56.874 56.874 54.398 2.476 18097 2167 1 4 . 1 1 51 51 PHE CB C 340 39.250 39.250 36.955 2.295 18097 2168 1 4 . 1 1 51 51 PHE H H 340 7.996 7.996 7.981 0.015 18097 2169 1 4 . 1 1 52 52 PRO HA H 341 4.278 4.278 4.489 -0.211 18097 2170 1 4 . 1 1 52 52 PRO CA C 341 63.297 63.297 63.818 -0.521 18097 2171 1 4 . 1 1 52 52 PRO CB C 341 31.190 31.190 31.298 -0.108 18097 2172 1 4 . 1 1 53 53 SER N N 342 114.918 114.918 117.013 -2.095 18097 2173 1 4 . 1 1 53 53 SER HA H 342 4.334 4.334 4.110 0.224 18097 2174 1 4 . 1 1 53 53 SER C C 342 174.508 174.508 174.973 -0.465 18097 2175 1 4 . 1 1 53 53 SER CA C 342 58.019 58.019 59.853 -1.834 18097 2176 1 4 . 1 1 53 53 SER CB C 342 63.587 63.587 62.672 0.915 18097 2177 1 4 . 1 1 53 53 SER H H 342 8.119 8.119 8.578 -0.459 18097 2178 1 4 . 1 1 54 54 LEU N N 343 123.426 123.426 115.508 7.918 18097 2179 1 4 . 1 1 54 54 LEU HA H 343 4.307 4.307 4.237 0.070 18097 2180 1 4 . 1 1 54 54 LEU C C 343 177.314 177.314 177.388 -0.074 18097 2181 1 4 . 1 1 54 54 LEU CA C 343 55.224 55.224 55.792 -0.569 18097 2182 1 4 . 1 1 54 54 LEU CB C 343 41.934 41.934 41.103 0.830 18097 2183 1 4 . 1 1 54 54 LEU H H 343 8.180 8.180 7.674 0.506 18097 2184 1 4 . 1 1 55 55 THR N N 344 112.921 112.921 110.411 2.510 18097 2185 1 4 . 1 1 55 55 THR HA H 344 4.144 4.144 4.072 0.072 18097 2186 1 4 . 1 1 55 55 THR C C 344 173.928 173.928 174.262 -0.334 18097 2187 1 4 . 1 1 55 55 THR CA C 344 61.565 61.565 62.220 -0.655 18097 2188 1 4 . 1 1 55 55 THR CB C 344 69.396 69.396 69.037 0.359 18097 2189 1 4 . 1 1 55 55 THR H H 344 7.911 7.911 7.623 0.288 18097 2190 1 4 . 1 1 56 56 ASN N N 345 119.978 119.978 119.394 0.584 18097 2191 1 4 . 1 1 56 56 ASN HA H 345 4.482 4.482 4.273 0.209 18097 2192 1 4 . 1 1 56 56 ASN C C 345 174.137 174.137 175.409 -1.272 18097 2193 1 4 . 1 1 56 56 ASN CA C 345 52.938 52.938 56.904 -3.966 18097 2194 1 4 . 1 1 56 56 ASN CB C 345 38.110 38.110 37.513 0.597 18097 2195 1 4 . 1 1 56 56 ASN H H 345 8.097 8.097 8.981 -0.884 18097 2196 1 4 . 1 1 57 57 PHE N N 346 120.030 120.030 119.915 0.115 18097 2197 1 4 . 1 1 57 57 PHE HA H 346 4.482 4.482 4.431 0.051 18097 2198 1 4 . 1 1 57 57 PHE C C 346 174.693 174.693 176.093 -1.400 18097 2199 1 4 . 1 1 57 57 PHE CA C 346 57.381 57.381 59.248 -1.867 18097 2200 1 4 . 1 1 57 57 PHE CB C 346 39.313 39.313 39.763 -0.450 18097 2201 1 4 . 1 1 57 57 PHE H H 346 7.919 7.919 8.261 -0.342 18097 2202 1 4 . 1 1 58 58 ASN N N 347 125.759 125.759 116.600 9.159 18097 2203 1 4 . 1 1 58 58 ASN CA C 347 57.145 57.145 52.913 4.232 18097 2204 1 4 . 1 1 58 58 ASN H H 347 7.656 7.656 7.755 -0.099 18097 2205 1 4 . 1 1 64 64 LEU N N 353 120.532 120.532 120.583 -0.051 18097 2206 1 4 . 1 1 64 64 LEU HA H 353 4.398 4.398 5.375 -0.977 18097 2207 1 4 . 1 1 64 64 LEU C C 353 178.380 178.380 177.275 1.105 18097 2208 1 4 . 1 1 64 64 LEU CA C 353 51.933 51.933 52.264 -0.331 18097 2209 1 4 . 1 1 64 64 LEU H H 353 8.518 8.518 8.743 -0.225 18097 2210 1 4 . 1 1 65 65 GLY N N 354 102.514 102.514 106.438 -3.924 18097 2211 1 4 . 1 1 65 65 GLY C C 354 172.884 172.884 174.401 -1.517 18097 2212 1 4 . 1 1 65 65 GLY CA C 354 44.491 44.491 44.693 -0.202 18097 2213 1 4 . 1 1 65 65 GLY H H 354 8.051 8.051 8.082 -0.031 18097 2214 1 4 . 1 1 66 66 SER N N 355 113.869 113.869 112.797 1.072 18097 2215 1 4 . 1 1 66 66 SER HA H 355 4.015 4.015 4.271 -0.256 18097 2216 1 4 . 1 1 66 66 SER C C 355 174.276 174.276 175.067 -0.791 18097 2217 1 4 . 1 1 66 66 SER CA C 355 59.770 59.770 59.684 0.086 18097 2218 1 4 . 1 1 66 66 SER H H 355 8.724 8.724 8.505 0.219 18097 2219 1 4 . 1 1 67 67 GLN N N 356 121.985 121.985 120.738 1.247 18097 2220 1 4 . 1 1 67 67 GLN HA H 356 4.474 4.474 4.637 -0.163 18097 2221 1 4 . 1 1 67 67 GLN C C 356 173.905 173.905 174.576 -0.671 18097 2222 1 4 . 1 1 67 67 GLN CA C 356 54.655 54.655 54.727 -0.072 18097 2223 1 4 . 1 1 67 67 GLN H H 356 7.995 7.995 8.072 -0.077 18097 2224 1 4 . 1 1 68 68 SER N N 357 118.695 118.695 117.197 1.498 18097 2225 1 4 . 1 1 68 68 SER HA H 357 4.852 4.852 3.693 1.159 18097 2226 1 4 . 1 1 68 68 SER C C 357 173.835 173.835 173.867 -0.032 18097 2227 1 4 . 1 1 68 68 SER CA C 357 56.472 56.472 56.608 -0.136 18097 2228 1 4 . 1 1 68 68 SER H H 357 8.145 8.145 8.443 -0.298 18097 2229 1 4 . 1 1 69 69 ILE N N 358 123.370 123.370 122.107 1.263 18097 2230 1 4 . 1 1 69 69 ILE C C 358 175.018 175.018 174.690 0.328 18097 2231 1 4 . 1 1 69 69 ILE CA C 358 60.780 60.780 60.734 0.046 18097 2232 1 4 . 1 1 69 69 ILE H H 358 8.813 8.813 8.089 0.724 18097 2233 1 4 . 1 1 70 70 THR N N 359 113.324 113.324 115.752 -2.428 18097 2234 1 4 . 1 1 70 70 THR HA H 359 3.967 3.967 3.444 0.523 18097 2235 1 4 . 1 1 70 70 THR C C 359 172.026 172.026 173.084 -1.058 18097 2236 1 4 . 1 1 70 70 THR CA C 359 59.366 59.366 60.029 -0.662 18097 2237 1 4 . 1 1 70 70 THR H H 359 8.250 8.250 8.418 -0.168 18097 2238 1 4 . 1 1 71 71 SER N N 360 111.494 111.494 113.621 -2.127 18097 2239 1 4 . 1 1 71 71 SER HA H 360 4.085 4.085 4.458 -0.373 18097 2240 1 4 . 1 1 71 71 SER C C 360 173.835 173.835 173.494 0.341 18097 2241 1 4 . 1 1 71 71 SER CA C 360 57.818 57.818 58.467 -0.649 18097 2242 1 4 . 1 1 71 71 SER H H 360 6.964 6.964 7.011 -0.047 18097 2243 1 4 . 1 1 72 72 GLY N N 361 112.909 112.909 108.278 4.631 18097 2244 1 4 . 1 1 72 72 GLY C C 361 171.400 171.400 172.549 -1.149 18097 2245 1 4 . 1 1 72 72 GLY CA C 361 45.265 45.265 44.907 0.358 18097 2246 1 4 . 1 1 72 72 GLY H H 361 10.408 10.408 8.603 1.805 18097 2247 1 4 . 1 1 73 73 LYS N N 362 118.005 118.005 120.387 -2.382 18097 2248 1 4 . 1 1 73 73 LYS C C 362 175.366 175.366 175.563 -0.197 18097 2249 1 4 . 1 1 73 73 LYS CA C 362 54.621 54.621 55.290 -0.669 18097 2250 1 4 . 1 1 73 73 LYS H H 362 7.310 7.310 8.052 -0.742 18097 2251 1 4 . 1 1 74 74 HIS N N 363 118.405 118.405 119.362 -0.957 18097 2252 1 4 . 1 1 74 74 HIS HA H 363 4.880 4.880 5.385 -0.505 18097 2253 1 4 . 1 1 74 74 HIS C C 363 172.467 172.467 173.458 -0.991 18097 2254 1 4 . 1 1 74 74 HIS CA C 363 56.371 56.371 55.038 1.333 18097 2255 1 4 . 1 1 74 74 HIS H H 363 8.399 8.399 8.687 -0.288 18097 2256 1 4 . 1 1 75 75 TYR N N 364 125.182 125.182 124.076 1.106 18097 2257 1 4 . 1 1 75 75 TYR C C 364 172.852 172.852 172.976 -0.124 18097 2258 1 4 . 1 1 75 75 TYR CA C 364 55.361 55.361 56.275 -0.914 18097 2259 1 4 . 1 1 75 75 TYR H H 364 8.153 8.153 8.791 -0.638 18097 2260 1 4 . 1 1 76 76 TRP N N 365 123.210 123.210 124.040 -0.830 18097 2261 1 4 . 1 1 76 76 TRP C C 365 171.510 171.510 172.884 -1.374 18097 2262 1 4 . 1 1 76 76 TRP CA C 365 57.549 57.549 55.714 1.835 18097 2263 1 4 . 1 1 76 76 TRP H H 365 7.621 7.621 7.584 0.037 18097 2264 1 4 . 1 1 78 78 VAL N N 367 122.416 122.416 121.844 0.572 18097 2265 1 4 . 1 1 78 78 VAL HA H 367 4.756 4.756 4.743 0.013 18097 2266 1 4 . 1 1 78 78 VAL C C 367 174.461 174.461 174.145 0.316 18097 2267 1 4 . 1 1 78 78 VAL CA C 367 60.208 60.208 61.003 -0.795 18097 2268 1 4 . 1 1 78 78 VAL H H 367 8.910 8.910 8.955 -0.045 18097 2269 1 4 . 1 1 79 79 ASP N N 368 128.257 128.257 127.783 0.474 18097 2270 1 4 . 1 1 79 79 ASP C C 368 175.343 175.343 175.453 -0.110 18097 2271 1 4 . 1 1 79 79 ASP CA C 368 53.914 53.914 53.157 0.757 18097 2272 1 4 . 1 1 79 79 ASP H H 368 9.795 9.795 9.122 0.673 18097 2273 1 4 . 1 1 80 80 VAL N N 369 118.519 118.519 121.534 -3.015 18097 2274 1 4 . 1 1 80 80 VAL C C 369 176.131 176.131 175.144 0.987 18097 2275 1 4 . 1 1 80 80 VAL CA C 369 59.027 59.027 60.486 -1.459 18097 2276 1 4 . 1 1 80 80 VAL H H 369 8.394 8.394 7.782 0.612 18097 2277 1 4 . 1 1 81 81 SER N N 370 123.584 123.584 120.073 3.511 18097 2278 1 4 . 1 1 81 81 SER C C 370 174.829 174.829 175.030 -0.201 18097 2279 1 4 . 1 1 81 81 SER CA C 370 61.285 61.285 59.746 1.539 18097 2280 1 4 . 1 1 81 81 SER H H 370 8.754 8.754 8.271 0.483 18097 2281 1 4 . 1 1 82 82 LYS N N 371 115.025 115.025 121.075 -6.050 18097 2282 1 4 . 1 1 82 82 LYS C C 371 175.922 175.922 176.231 -0.309 18097 2283 1 4 . 1 1 82 82 LYS CA C 371 58.222 58.222 57.965 0.257 18097 2284 1 4 . 1 1 82 82 LYS H H 371 8.789 8.789 8.885 -0.096 18097 2285 1 4 . 1 1 83 83 LYS N N 372 117.904 117.904 119.820 -1.916 18097 2286 1 4 . 1 1 83 83 LYS C C 372 177.824 177.824 177.450 0.374 18097 2287 1 4 . 1 1 83 83 LYS CA C 372 57.784 57.784 56.354 1.430 18097 2288 1 4 . 1 1 83 83 LYS H H 372 7.825 7.825 7.529 0.296 18097 2289 1 4 . 1 1 84 84 SER N N 373 122.569 122.569 116.865 5.704 18097 2290 1 4 . 1 1 84 84 SER HA H 373 4.348 4.348 4.494 -0.146 18097 2291 1 4 . 1 1 84 84 SER C C 373 172.270 172.270 173.038 -0.768 18097 2292 1 4 . 1 1 84 84 SER CA C 373 58.996 58.996 57.907 1.089 18097 2293 1 4 . 1 1 84 84 SER H H 373 9.839 9.839 8.631 1.208 18097 2294 1 4 . 1 1 85 85 ALA N N 374 120.821 120.821 121.386 -0.565 18097 2295 1 4 . 1 1 85 85 ALA C C 374 174.253 174.253 174.823 -0.570 18097 2296 1 4 . 1 1 85 85 ALA CA C 374 51.020 51.020 51.628 -0.608 18097 2297 1 4 . 1 1 85 85 ALA H H 374 7.130 7.130 7.438 -0.308 18097 2298 1 4 . 1 1 86 86 TRP N N 375 109.378 109.378 116.071 -6.693 18097 2299 1 4 . 1 1 86 86 TRP C C 375 176.096 176.096 173.261 2.835 18097 2300 1 4 . 1 1 86 86 TRP CA C 375 56.909 56.909 56.517 0.392 18097 2301 1 4 . 1 1 86 86 TRP H H 375 7.876 7.876 7.695 0.181 18097 2302 1 4 . 1 1 87 87 ILE N N 376 118.409 118.409 121.657 -3.248 18097 2303 1 4 . 1 1 87 87 ILE C C 376 175.405 175.405 174.830 0.575 18097 2304 1 4 . 1 1 87 87 ILE CA C 376 60.679 60.679 59.884 0.795 18097 2305 1 4 . 1 1 87 87 ILE H H 376 9.270 9.270 9.165 0.105 18097 2306 1 4 . 1 1 88 88 LEU N N 377 122.952 122.952 121.947 1.005 18097 2307 1 4 . 1 1 88 88 LEU C C 377 174.967 174.967 175.963 -0.996 18097 2308 1 4 . 1 1 88 88 LEU CA C 377 54.520 54.520 53.218 1.302 18097 2309 1 4 . 1 1 88 88 LEU H H 377 9.422 9.422 8.656 0.766 18097 2310 1 4 . 1 1 89 89 GLY N N 378 103.446 103.446 107.846 -4.400 18097 2311 1 4 . 1 1 89 89 GLY C C 378 171.976 171.976 172.921 -0.945 18097 2312 1 4 . 1 1 89 89 GLY CA C 378 47.251 47.251 46.678 0.573 18097 2313 1 4 . 1 1 89 89 GLY H H 378 8.366 8.366 8.733 -0.367 18097 2314 1 4 . 1 1 90 90 VAL N N 379 130.348 130.348 121.470 8.878 18097 2315 1 4 . 1 1 90 90 VAL HA H 379 4.164 4.164 5.178 -1.014 18097 2316 1 4 . 1 1 90 90 VAL C C 379 172.847 172.847 174.010 -1.163 18097 2317 1 4 . 1 1 90 90 VAL CA C 379 60.477 60.477 61.065 -0.588 18097 2318 1 4 . 1 1 90 90 VAL H H 379 9.224 9.224 8.519 0.705 18097 2319 1 4 . 1 1 91 91 CYS N N 380 122.658 122.658 123.392 -0.734 18097 2320 1 4 . 1 1 91 91 CYS C C 380 173.630 173.630 173.675 -0.045 18097 2321 1 4 . 1 1 91 91 CYS CA C 380 55.429 55.429 55.666 -0.237 18097 2322 1 4 . 1 1 91 91 CYS H H 380 9.398 9.398 9.381 0.017 18097 2323 1 4 . 1 1 92 92 ALA N N 381 127.998 127.998 125.221 2.777 18097 2324 1 4 . 1 1 92 92 ALA HA H 381 5.049 5.049 5.108 -0.059 18097 2325 1 4 . 1 1 92 92 ALA C C 381 176.479 176.479 176.394 0.085 18097 2326 1 4 . 1 1 92 92 ALA CA C 381 52.400 52.400 51.180 1.220 18097 2327 1 4 . 1 1 92 92 ALA H H 381 9.478 9.478 7.997 1.481 18097 2328 1 4 . 1 1 93 93 GLY N N 382 108.533 108.533 105.681 2.852 18097 2329 1 4 . 1 1 93 93 GLY C C 382 173.580 173.580 172.993 0.587 18097 2330 1 4 . 1 1 93 93 GLY CA C 382 43.212 43.212 44.217 -1.005 18097 2331 1 4 . 1 1 93 93 GLY H H 382 8.194 8.194 7.247 0.947 18097 2332 1 4 . 1 1 94 94 PHE N N 383 116.476 116.476 118.422 -1.946 18097 2333 1 4 . 1 1 94 94 PHE HA H 383 4.536 4.536 4.959 -0.423 18097 2334 1 4 . 1 1 94 94 PHE C C 383 178.079 178.079 176.842 1.237 18097 2335 1 4 . 1 1 94 94 PHE CA C 383 56.627 56.627 56.402 0.225 18097 2336 1 4 . 1 1 94 94 PHE H H 383 8.290 8.290 8.246 0.044 18097 2337 1 4 . 1 1 105 105 ASN N N 394 112.033 112.033 115.220 -3.187 18097 2338 1 4 . 1 1 105 105 ASN HA H 394 4.715 4.715 4.647 0.068 18097 2339 1 4 . 1 1 105 105 ASN C C 394 173.835 173.835 173.561 0.274 18097 2340 1 4 . 1 1 105 105 ASN CA C 394 51.929 51.929 51.765 0.164 18097 2341 1 4 . 1 1 105 105 ASN H H 394 6.912 6.912 7.461 -0.549 18097 2342 1 4 . 1 1 106 106 GLU N N 395 117.585 117.585 116.249 1.336 18097 2343 1 4 . 1 1 106 106 GLU C C 395 175.574 175.574 175.011 0.563 18097 2344 1 4 . 1 1 106 106 GLU CA C 395 56.808 56.808 56.997 -0.189 18097 2345 1 4 . 1 1 106 106 GLU H H 395 7.354 7.354 7.559 -0.205 18097 2346 1 4 . 1 1 107 107 ASN N N 396 118.664 118.664 118.152 0.512 18097 2347 1 4 . 1 1 107 107 ASN HA H 396 4.536 4.536 4.648 -0.112 18097 2348 1 4 . 1 1 107 107 ASN C C 396 173.441 173.441 173.670 -0.229 18097 2349 1 4 . 1 1 107 107 ASN CA C 396 50.448 50.448 51.525 -1.077 18097 2350 1 4 . 1 1 107 107 ASN H H 396 8.082 8.082 7.489 0.593 18097 2351 1 4 . 1 1 108 108 TYR N N 397 117.301 117.301 120.798 -3.497 18097 2352 1 4 . 1 1 108 108 TYR HA H 397 4.605 4.605 3.897 0.708 18097 2353 1 4 . 1 1 108 108 TYR C C 397 173.186 173.186 174.718 -1.532 18097 2354 1 4 . 1 1 108 108 TYR CA C 397 55.530 55.530 58.271 -2.741 18097 2355 1 4 . 1 1 108 108 TYR H H 397 6.101 6.101 7.165 -1.064 18097 2356 1 4 . 1 1 109 109 GLN N N 398 114.934 114.934 120.910 -5.976 18097 2357 1 4 . 1 1 109 109 GLN C C 398 175.064 175.064 174.069 0.995 18097 2358 1 4 . 1 1 109 109 GLN CA C 398 53.241 53.241 52.766 0.475 18097 2359 1 4 . 1 1 109 109 GLN H H 398 6.115 6.115 8.371 -2.256 18097 2360 1 4 . 1 1 111 111 LYS N N 400 120.723 120.723 115.569 5.154 18097 2361 1 4 . 1 1 111 111 LYS HA H 400 4.068 4.068 3.984 0.084 18097 2362 1 4 . 1 1 111 111 LYS C C 400 177.244 177.244 177.110 0.134 18097 2363 1 4 . 1 1 111 111 LYS CA C 400 58.289 58.289 58.056 0.233 18097 2364 1 4 . 1 1 111 111 LYS H H 400 10.775 10.775 8.038 2.737 18097 2365 1 4 . 1 1 112 112 TYR N N 401 120.182 120.182 116.399 3.783 18097 2366 1 4 . 1 1 112 112 TYR HA H 401 3.612 3.612 4.454 -0.842 18097 2367 1 4 . 1 1 112 112 TYR C C 401 175.853 175.853 175.209 0.644 18097 2368 1 4 . 1 1 112 112 TYR CA C 401 53.847 53.847 56.180 -2.333 18097 2369 1 4 . 1 1 112 112 TYR H H 401 7.647 7.647 7.416 0.231 18097 2370 1 4 . 1 1 113 113 GLY N N 402 107.764 107.764 106.508 1.256 18097 2371 1 4 . 1 1 113 113 GLY C C 402 171.679 171.679 172.397 -0.718 18097 2372 1 4 . 1 1 113 113 GLY CA C 402 45.972 45.972 44.673 1.299 18097 2373 1 4 . 1 1 113 113 GLY H H 402 8.057 8.057 7.091 0.966 18097 2374 1 4 . 1 1 114 114 TYR N N 403 115.659 115.659 118.466 -2.807 18097 2375 1 4 . 1 1 114 114 TYR C C 403 173.013 173.013 174.837 -1.824 18097 2376 1 4 . 1 1 114 114 TYR CA C 403 57.515 57.515 56.688 0.827 18097 2377 1 4 . 1 1 114 114 TYR H H 403 6.585 6.585 7.048 -0.463 18097 2378 1 4 . 1 1 115 115 TRP N N 404 125.437 125.437 127.021 -1.584 18097 2379 1 4 . 1 1 115 115 TRP C C 404 175.405 175.405 174.537 0.868 18097 2380 1 4 . 1 1 115 115 TRP CA C 404 57.650 57.650 55.845 1.805 18097 2381 1 4 . 1 1 115 115 TRP H H 404 8.420 8.420 9.064 -0.644 18097 2382 1 4 . 1 1 116 116 VAL N N 405 116.317 116.317 116.422 -0.105 18097 2383 1 4 . 1 1 116 116 VAL C C 405 174.368 174.368 174.064 0.304 18097 2384 1 4 . 1 1 116 116 VAL CA C 405 58.525 58.525 59.225 -0.700 18097 2385 1 4 . 1 1 116 116 VAL H H 405 9.825 9.825 7.760 2.065 18097 2386 1 4 . 1 1 117 117 ILE N N 406 110.464 110.464 114.353 -3.889 18097 2387 1 4 . 1 1 117 117 ILE C C 406 174.879 174.879 174.518 0.361 18097 2388 1 4 . 1 1 117 117 ILE CA C 406 58.929 58.929 58.717 0.213 18097 2389 1 4 . 1 1 117 117 ILE H H 406 8.268 8.268 8.524 -0.256 18097 2390 1 4 . 1 1 118 118 GLY N N 407 105.424 105.424 108.419 -2.995 18097 2391 1 4 . 1 1 118 118 GLY C C 407 169.418 169.418 170.968 -1.550 18097 2392 1 4 . 1 1 118 118 GLY CA C 407 45.770 45.770 43.713 2.057 18097 2393 1 4 . 1 1 118 118 GLY H H 407 9.115 9.115 8.904 0.211 18097 2394 1 4 . 1 1 119 119 LEU N N 408 118.628 118.628 119.910 -1.282 18097 2395 1 4 . 1 1 119 119 LEU C C 408 176.224 176.224 173.934 2.290 18097 2396 1 4 . 1 1 119 119 LEU CA C 408 52.265 52.265 52.440 -0.175 18097 2397 1 4 . 1 1 119 119 LEU H H 408 7.892 7.892 7.412 0.480 18097 2398 1 4 . 1 1 120 120 GLN N N 409 123.541 123.541 124.145 -0.604 18097 2399 1 4 . 1 1 120 120 GLN HA H 409 4.233 4.233 4.721 -0.488 18097 2400 1 4 . 1 1 120 120 GLN C C 409 173.000 173.000 175.165 -2.165 18097 2401 1 4 . 1 1 120 120 GLN CA C 409 54.284 54.284 54.603 -0.319 18097 2402 1 4 . 1 1 120 120 GLN H H 409 8.375 8.375 8.446 -0.071 18097 2403 1 4 . 1 1 121 121 GLU N N 410 117.179 117.179 120.592 -3.413 18097 2404 1 4 . 1 1 121 121 GLU C C 410 176.800 176.800 176.336 0.464 18097 2405 1 4 . 1 1 121 121 GLU CA C 410 56.809 56.809 57.174 -0.365 18097 2406 1 4 . 1 1 121 121 GLU H H 410 8.864 8.864 9.152 -0.288 18097 2407 1 4 . 1 1 125 125 TYR N N 414 128.783 128.783 124.189 4.594 18097 2408 1 4 . 1 1 125 125 TYR HA H 414 5.192 5.192 5.372 -0.180 18097 2409 1 4 . 1 1 125 125 TYR C C 414 176.827 176.827 176.245 0.582 18097 2410 1 4 . 1 1 125 125 TYR CA C 414 57.212 57.212 57.928 -0.716 18097 2411 1 4 . 1 1 125 125 TYR H H 414 9.145 9.145 8.458 0.687 18097 2412 1 4 . 1 1 126 126 SER N N 415 117.388 117.388 114.795 2.593 18097 2413 1 4 . 1 1 126 126 SER HA H 415 5.049 5.049 5.070 -0.021 18097 2414 1 4 . 1 1 126 126 SER C C 415 170.913 170.913 172.097 -1.184 18097 2415 1 4 . 1 1 126 126 SER CA C 415 57.482 57.482 57.785 -0.303 18097 2416 1 4 . 1 1 126 126 SER H H 415 9.192 9.192 9.117 0.075 18097 2417 1 4 . 1 1 127 127 VAL N N 416 119.557 119.557 121.611 -2.054 18097 2418 1 4 . 1 1 127 127 VAL C C 416 172.653 172.653 173.899 -1.246 18097 2419 1 4 . 1 1 127 127 VAL CA C 416 59.703 59.703 59.924 -0.221 18097 2420 1 4 . 1 1 127 127 VAL H H 416 8.761 8.761 8.780 -0.019 18097 2421 1 4 . 1 1 128 128 PHE N N 417 127.341 127.341 129.653 -2.312 18097 2422 1 4 . 1 1 128 128 PHE HA H 417 4.267 4.267 4.685 -0.418 18097 2423 1 4 . 1 1 128 128 PHE C C 417 174.925 174.925 175.008 -0.083 18097 2424 1 4 . 1 1 128 128 PHE CA C 417 58.458 58.458 59.253 -0.795 18097 2425 1 4 . 1 1 128 128 PHE H H 417 7.150 7.150 8.373 -1.223 18097 2426 1 4 . 1 1 129 129 GLN N N 418 122.834 122.834 121.131 1.703 18097 2427 1 4 . 1 1 129 129 GLN HA H 418 4.125 4.125 4.754 -0.629 18097 2428 1 4 . 1 1 129 129 GLN C C 418 176.038 176.038 175.060 0.978 18097 2429 1 4 . 1 1 129 129 GLN CA C 418 53.679 53.679 53.929 -0.250 18097 2430 1 4 . 1 1 129 129 GLN H H 418 8.693 8.693 7.718 0.975 18097 2431 1 4 . 1 1 130 130 ASP N N 419 119.994 119.994 120.368 -0.374 18097 2432 1 4 . 1 1 130 130 ASP HA H 419 4.964 4.964 4.692 0.272 18097 2433 1 4 . 1 1 130 130 ASP C C 419 178.218 178.218 176.700 1.518 18097 2434 1 4 . 1 1 130 130 ASP CA C 419 54.991 54.991 55.428 -0.437 18097 2435 1 4 . 1 1 130 130 ASP H H 419 8.425 8.425 8.502 -0.077 18097 2436 1 4 . 1 1 131 131 GLY N N 420 107.499 107.499 109.096 -1.597 18097 2437 1 4 . 1 1 131 131 GLY C C 420 174.415 174.415 173.135 1.280 18097 2438 1 4 . 1 1 131 131 GLY CA C 420 44.735 44.735 43.797 0.938 18097 2439 1 4 . 1 1 131 131 GLY H H 420 8.112 8.112 8.937 -0.825 18097 2440 1 4 . 1 1 132 132 SER N N 421 115.128 115.128 114.084 1.044 18097 2441 1 4 . 1 1 132 132 SER C C 421 176.177 176.177 176.319 -0.142 18097 2442 1 4 . 1 1 132 132 SER CA C 421 57.515 57.515 57.521 -0.006 18097 2443 1 4 . 1 1 132 132 SER H H 421 8.016 8.016 8.402 -0.386 18097 2444 1 4 . 1 1 137 137 PHE N N 426 115.968 115.968 115.755 0.213 18097 2445 1 4 . 1 1 137 137 PHE HA H 426 4.525 4.525 4.594 -0.069 18097 2446 1 4 . 1 1 137 137 PHE C C 426 173.511 173.511 175.029 -1.518 18097 2447 1 4 . 1 1 137 137 PHE CA C 426 56.707 56.707 57.684 -0.976 18097 2448 1 4 . 1 1 137 137 PHE H H 426 7.817 7.817 7.666 0.151 18097 2449 1 4 . 1 1 138 138 ALA N N 427 124.435 124.435 121.101 3.334 18097 2450 1 4 . 1 1 138 138 ALA HA H 427 4.219 4.219 4.846 -0.627 18097 2451 1 4 . 1 1 138 138 ALA C C 427 173.835 173.835 174.313 -0.478 18097 2452 1 4 . 1 1 138 138 ALA CA C 427 48.933 48.933 49.459 -0.526 18097 2453 1 4 . 1 1 138 138 ALA H H 427 7.451 7.451 7.648 -0.197 18097 2454 1 4 . 1 1 140 140 PHE N N 429 122.819 122.819 121.935 0.884 18097 2455 1 4 . 1 1 140 140 PHE HA H 429 4.795 4.795 4.738 0.057 18097 2456 1 4 . 1 1 140 140 PHE C C 429 173.232 173.232 174.712 -1.480 18097 2457 1 4 . 1 1 140 140 PHE CA C 429 55.556 55.556 55.767 -0.211 18097 2458 1 4 . 1 1 140 140 PHE H H 429 8.009 8.009 8.102 -0.093 18097 2459 1 4 . 1 1 141 141 ILE N N 430 127.916 127.916 125.017 2.899 18097 2460 1 4 . 1 1 141 141 ILE HA H 430 3.992 3.992 3.690 0.302 18097 2461 1 4 . 1 1 141 141 ILE C C 430 175.459 175.459 175.445 0.014 18097 2462 1 4 . 1 1 141 141 ILE CA C 430 60.443 60.443 62.233 -1.790 18097 2463 1 4 . 1 1 141 141 ILE H H 430 8.069 8.069 7.657 0.412 18097 2464 1 4 . 1 1 142 142 VAL N N 431 131.283 131.283 128.154 3.129 18097 2465 1 4 . 1 1 142 142 VAL HA H 431 4.261 4.261 4.326 -0.065 18097 2466 1 4 . 1 1 142 142 VAL C C 431 173.580 173.580 173.765 -0.185 18097 2467 1 4 . 1 1 142 142 VAL CA C 431 58.828 58.828 58.765 0.063 18097 2468 1 4 . 1 1 142 142 VAL H H 431 8.332 8.332 8.152 0.180 18097 2469 1 4 . 1 1 145 145 SER N N 434 121.965 121.965 118.641 3.324 18097 2470 1 4 . 1 1 145 145 SER C C 434 174.529 174.529 173.991 0.538 18097 2471 1 4 . 1 1 145 145 SER H H 434 8.546 8.546 8.582 -0.036 18097 2472 1 4 . 1 1 149 149 CYS N N 438 126.863 126.863 127.651 -0.788 18097 2473 1 4 . 1 1 149 149 CYS C C 438 173.441 173.441 173.181 0.260 18097 2474 1 4 . 1 1 149 149 CYS CA C 438 58.256 58.256 57.552 0.704 18097 2475 1 4 . 1 1 149 149 CYS H H 438 8.557 8.557 8.520 0.037 18097 2476 1 4 . 1 1 151 151 ASP N N 440 123.283 123.283 120.658 2.625 18097 2477 1 4 . 1 1 151 151 ASP HA H 440 4.550 4.550 4.779 -0.229 18097 2478 1 4 . 1 1 151 151 ASP C C 440 175.505 175.505 175.897 -0.392 18097 2479 1 4 . 1 1 151 151 ASP CA C 440 55.227 55.227 54.784 0.443 18097 2480 1 4 . 1 1 151 151 ASP H H 440 9.027 9.027 9.129 -0.102 18097 2481 1 4 . 1 1 152 152 ARG N N 441 116.407 116.407 118.849 -2.442 18097 2482 1 4 . 1 1 152 152 ARG HA H 441 4.316 4.316 4.874 -0.558 18097 2483 1 4 . 1 1 152 152 ARG C C 441 173.858 173.858 173.331 0.527 18097 2484 1 4 . 1 1 152 152 ARG CA C 441 54.486 54.486 55.940 -1.454 18097 2485 1 4 . 1 1 152 152 ARG H H 441 6.962 6.962 7.350 -0.388 18097 2486 1 4 . 1 1 153 153 VAL N N 442 123.155 123.155 125.643 -2.488 18097 2487 1 4 . 1 1 153 153 VAL C C 442 174.967 174.967 175.216 -0.249 18097 2488 1 4 . 1 1 153 153 VAL CA C 442 60.174 60.174 60.410 -0.236 18097 2489 1 4 . 1 1 153 153 VAL H H 442 8.689 8.689 8.765 -0.076 18097 2490 1 4 . 1 1 154 154 GLY N N 443 114.213 114.213 114.239 -0.026 18097 2491 1 4 . 1 1 154 154 GLY C C 443 171.584 171.584 172.452 -0.868 18097 2492 1 4 . 1 1 154 154 GLY CA C 443 44.827 44.827 43.756 1.071 18097 2493 1 4 . 1 1 154 154 GLY H H 443 9.100 9.100 8.860 0.240 18097 2494 1 4 . 1 1 155 155 VAL N N 444 126.435 126.435 125.528 0.907 18097 2495 1 4 . 1 1 155 155 VAL HA H 444 4.123 4.123 4.622 -0.499 18097 2496 1 4 . 1 1 155 155 VAL C C 444 171.856 171.856 173.659 -1.803 18097 2497 1 4 . 1 1 155 155 VAL CA C 444 60.712 60.712 60.462 0.250 18097 2498 1 4 . 1 1 155 155 VAL H H 444 8.485 8.485 8.331 0.154 18097 2499 1 4 . 1 1 156 156 PHE N N 445 122.110 122.110 128.645 -6.535 18097 2500 1 4 . 1 1 156 156 PHE HA H 445 4.580 4.580 5.426 -0.846 18097 2501 1 4 . 1 1 156 156 PHE C C 445 174.598 174.598 173.391 1.207 18097 2502 1 4 . 1 1 156 156 PHE CA C 445 53.174 53.174 54.844 -1.670 18097 2503 1 4 . 1 1 156 156 PHE H H 445 8.441 8.441 8.655 -0.214 18097 2504 1 4 . 1 1 157 157 VAL N N 446 130.057 130.057 126.805 3.252 18097 2505 1 4 . 1 1 157 157 VAL HA H 446 4.275 4.275 4.688 -0.413 18097 2506 1 4 . 1 1 157 157 VAL C C 446 172.086 172.086 173.608 -1.522 18097 2507 1 4 . 1 1 157 157 VAL CA C 446 59.837 59.837 60.710 -0.873 18097 2508 1 4 . 1 1 157 157 VAL H H 446 9.139 9.139 8.836 0.303 18097 2509 1 4 . 1 1 158 158 ASP N N 447 124.791 124.791 128.244 -3.453 18097 2510 1 4 . 1 1 158 158 ASP HA H 447 4.491 4.491 4.747 -0.256 18097 2511 1 4 . 1 1 158 158 ASP C C 447 176.456 176.456 176.462 -0.006 18097 2512 1 4 . 1 1 158 158 ASP CA C 447 51.794 51.794 51.314 0.480 18097 2513 1 4 . 1 1 158 158 ASP H H 447 7.608 7.608 8.408 -0.800 18097 2514 1 4 . 1 1 159 159 TYR N N 448 125.168 125.168 126.544 -1.376 18097 2515 1 4 . 1 1 159 159 TYR HA H 448 3.793 3.793 4.103 -0.309 18097 2516 1 4 . 1 1 159 159 TYR C C 448 177.894 177.894 176.787 1.107 18097 2517 1 4 . 1 1 159 159 TYR CA C 448 61.688 61.688 62.674 -0.986 18097 2518 1 4 . 1 1 159 159 TYR H H 448 8.778 8.778 8.076 0.702 18097 2519 1 4 . 1 1 160 160 GLU N N 449 116.788 116.788 117.235 -0.447 18097 2520 1 4 . 1 1 160 160 GLU HA H 449 3.967 3.967 4.046 -0.079 18097 2521 1 4 . 1 1 160 160 GLU C C 449 178.520 178.520 177.375 1.145 18097 2522 1 4 . 1 1 160 160 GLU CA C 449 60.578 60.578 58.812 1.766 18097 2523 1 4 . 1 1 160 160 GLU H H 449 8.003 8.003 8.786 -0.783 18097 2524 1 4 . 1 1 161 161 ALA N N 450 119.184 119.184 119.046 0.138 18097 2525 1 4 . 1 1 161 161 ALA HA H 450 4.026 4.026 4.183 -0.157 18097 2526 1 4 . 1 1 161 161 ALA C C 450 176.664 176.664 177.157 -0.493 18097 2527 1 4 . 1 1 161 161 ALA CA C 450 51.895 51.895 52.335 -0.440 18097 2528 1 4 . 1 1 161 161 ALA H H 450 7.695 7.695 8.309 -0.614 18097 2529 1 4 . 1 1 162 162 CYS N N 451 112.485 112.485 115.652 -3.167 18097 2530 1 4 . 1 1 162 162 CYS C C 451 173.047 173.047 172.875 0.172 18097 2531 1 4 . 1 1 162 162 CYS CA C 451 59.063 59.063 58.964 0.099 18097 2532 1 4 . 1 1 162 162 CYS H H 451 7.880 7.880 8.382 -0.502 18097 2533 1 4 . 1 1 163 163 THR N N 452 106.985 106.985 110.243 -3.258 18097 2534 1 4 . 1 1 163 163 THR C C 452 173.335 173.335 173.131 0.204 18097 2535 1 4 . 1 1 163 163 THR CA C 452 58.727 58.727 60.037 -1.310 18097 2536 1 4 . 1 1 163 163 THR H H 452 7.623 7.623 7.447 0.176 18097 2537 1 4 . 1 1 164 164 VAL N N 453 119.085 119.085 124.707 -5.622 18097 2538 1 4 . 1 1 164 164 VAL C C 453 174.741 174.741 175.062 -0.321 18097 2539 1 4 . 1 1 164 164 VAL CA C 453 61.756 61.756 61.358 0.397 18097 2540 1 4 . 1 1 164 164 VAL H H 453 7.900 7.900 8.585 -0.685 18097 2541 1 4 . 1 1 165 165 SER N N 454 121.792 121.792 123.197 -1.405 18097 2542 1 4 . 1 1 165 165 SER C C 454 170.888 170.888 173.128 -2.240 18097 2543 1 4 . 1 1 165 165 SER CA C 454 57.482 57.482 56.638 0.844 18097 2544 1 4 . 1 1 165 165 SER H H 454 9.034 9.034 8.897 0.137 18097 2545 1 4 . 1 1 166 166 PHE N N 455 117.889 117.889 120.631 -2.742 18097 2546 1 4 . 1 1 166 166 PHE C C 455 175.064 175.064 174.397 0.667 18097 2547 1 4 . 1 1 166 166 PHE CA C 455 55.361 55.361 56.449 -1.088 18097 2548 1 4 . 1 1 166 166 PHE H H 455 8.076 8.076 8.813 -0.737 18097 2549 1 4 . 1 1 167 167 PHE N N 456 121.297 121.297 121.448 -0.151 18097 2550 1 4 . 1 1 167 167 PHE C C 456 175.018 175.018 175.417 -0.399 18097 2551 1 4 . 1 1 167 167 PHE CA C 456 56.808 56.808 56.472 0.336 18097 2552 1 4 . 1 1 167 167 PHE H H 456 10.023 10.023 9.321 0.702 18097 2553 1 4 . 1 1 168 168 ASN N N 457 120.535 120.535 122.443 -1.908 18097 2554 1 4 . 1 1 168 168 ASN HA H 457 4.591 4.591 5.115 -0.524 18097 2555 1 4 . 1 1 168 168 ASN C C 457 175.157 175.157 176.054 -0.897 18097 2556 1 4 . 1 1 168 168 ASN CA C 457 51.659 51.659 50.591 1.068 18097 2557 1 4 . 1 1 168 168 ASN H H 457 9.646 9.646 8.921 0.725 18097 2558 1 4 . 1 1 169 169 ILE N N 458 124.615 124.615 124.206 0.409 18097 2559 1 4 . 1 1 169 169 ILE C C 458 176.548 176.548 177.365 -0.817 18097 2560 1 4 . 1 1 169 169 ILE CA C 458 62.698 62.698 63.813 -1.115 18097 2561 1 4 . 1 1 169 169 ILE H H 458 7.792 7.792 8.028 -0.236 18097 2562 1 4 . 1 1 170 170 THR N N 459 114.704 114.704 112.301 2.403 18097 2563 1 4 . 1 1 170 170 THR HA H 459 4.004 4.004 4.084 -0.080 18097 2564 1 4 . 1 1 170 170 THR C C 459 173.719 173.719 175.020 -1.301 18097 2565 1 4 . 1 1 170 170 THR CA C 459 64.549 64.549 65.012 -0.463 18097 2566 1 4 . 1 1 170 170 THR H H 459 7.382 7.382 7.827 -0.445 18097 2567 1 4 . 1 1 171 171 ASN N N 460 119.172 119.172 119.065 0.107 18097 2568 1 4 . 1 1 171 171 ASN HA H 460 4.770 4.770 4.909 -0.139 18097 2569 1 4 . 1 1 171 171 ASN C C 460 173.835 173.835 174.244 -0.409 18097 2570 1 4 . 1 1 171 171 ASN CA C 460 49.674 49.674 51.170 -1.496 18097 2571 1 4 . 1 1 171 171 ASN H H 460 7.079 7.079 8.521 -1.442 18097 2572 1 4 . 1 1 172 172 HIS N N 461 111.334 111.334 116.902 -5.568 18097 2573 1 4 . 1 1 172 172 HIS HA H 461 3.942 3.942 4.041 -0.099 18097 2574 1 4 . 1 1 172 172 HIS C C 461 174.114 174.114 174.898 -0.784 18097 2575 1 4 . 1 1 172 172 HIS CA C 461 57.313 57.313 57.719 -0.406 18097 2576 1 4 . 1 1 172 172 HIS H H 461 7.350 7.350 7.787 -0.436 18097 2577 1 4 . 1 1 173 173 GLY N N 462 105.400 105.400 105.770 -0.370 18097 2578 1 4 . 1 1 173 173 GLY C C 462 173.603 173.603 174.464 -0.861 18097 2579 1 4 . 1 1 173 173 GLY CA C 462 47.486 47.486 45.533 1.953 18097 2580 1 4 . 1 1 173 173 GLY H H 462 7.818 7.818 7.915 -0.097 18097 2581 1 4 . 1 1 174 174 PHE N N 463 120.249 120.249 118.830 1.419 18097 2582 1 4 . 1 1 174 174 PHE HA H 463 4.423 4.423 4.538 -0.116 18097 2583 1 4 . 1 1 174 174 PHE C C 463 176.502 176.502 176.444 0.058 18097 2584 1 4 . 1 1 174 174 PHE CA C 463 57.549 57.549 57.928 -0.379 18097 2585 1 4 . 1 1 174 174 PHE H H 463 7.626 7.626 8.078 -0.452 18097 2586 1 4 . 1 1 175 175 LEU N N 464 125.969 125.969 125.285 0.684 18097 2587 1 4 . 1 1 175 175 LEU C C 464 176.780 176.780 176.301 0.479 18097 2588 1 4 . 1 1 175 175 LEU CA C 464 56.068 56.068 56.139 -0.071 18097 2589 1 4 . 1 1 175 175 LEU H H 464 8.561 8.561 8.683 -0.122 18097 2590 1 4 . 1 1 176 176 ILE N N 465 126.876 126.876 126.629 0.247 18097 2591 1 4 . 1 1 176 176 ILE C C 465 175.528 175.528 175.253 0.275 18097 2592 1 4 . 1 1 176 176 ILE CA C 465 63.169 63.169 63.641 -0.472 18097 2593 1 4 . 1 1 176 176 ILE H H 465 9.330 9.330 8.961 0.369 18097 2594 1 4 . 1 1 177 177 TYR N N 466 115.047 115.047 117.721 -2.674 18097 2595 1 4 . 1 1 177 177 TYR HA H 466 4.068 4.068 4.630 -0.562 18097 2596 1 4 . 1 1 177 177 TYR C C 466 171.006 171.006 172.737 -1.731 18097 2597 1 4 . 1 1 177 177 TYR CA C 466 59.097 59.097 57.180 1.917 18097 2598 1 4 . 1 1 177 177 TYR H H 466 7.212 7.212 7.532 -0.320 18097 2599 1 4 . 1 1 178 178 LYS N N 467 127.911 127.911 124.135 3.776 18097 2600 1 4 . 1 1 178 178 LYS C C 467 175.273 175.273 174.378 0.895 18097 2601 1 4 . 1 1 178 178 LYS CA C 467 54.520 54.520 55.274 -0.754 18097 2602 1 4 . 1 1 178 178 LYS H H 467 6.811 6.811 7.071 -0.260 18097 2603 1 4 . 1 1 179 179 PHE N N 468 126.383 126.383 126.612 -0.229 18097 2604 1 4 . 1 1 179 179 PHE HA H 468 4.632 4.632 4.757 -0.125 18097 2605 1 4 . 1 1 179 179 PHE C C 468 175.336 175.336 174.719 0.617 18097 2606 1 4 . 1 1 179 179 PHE CA C 468 58.289 58.289 58.606 -0.317 18097 2607 1 4 . 1 1 179 179 PHE H H 468 9.651 9.651 9.436 0.215 18097 2608 1 4 . 1 1 180 180 SER N N 469 115.506 115.506 116.855 -1.349 18097 2609 1 4 . 1 1 180 180 SER HA H 469 4.837 4.837 4.812 0.025 18097 2610 1 4 . 1 1 180 180 SER C C 469 172.861 172.861 174.483 -1.622 18097 2611 1 4 . 1 1 180 180 SER CA C 469 56.707 56.707 57.794 -1.087 18097 2612 1 4 . 1 1 180 180 SER H H 469 8.485 8.485 8.639 -0.154 18097 2613 1 4 . 1 1 181 181 GLN N N 470 117.133 117.133 118.916 -1.783 18097 2614 1 4 . 1 1 181 181 GLN HA H 470 3.629 3.629 3.808 -0.179 18097 2615 1 4 . 1 1 181 181 GLN C C 470 176.015 176.015 174.439 1.576 18097 2616 1 4 . 1 1 181 181 GLN CA C 470 56.472 56.472 56.474 -0.002 18097 2617 1 4 . 1 1 181 181 GLN H H 470 9.298 9.298 8.673 0.625 18097 2618 1 4 . 1 1 182 182 CYS N N 471 116.032 116.032 118.316 -2.284 18097 2619 1 4 . 1 1 182 182 CYS C C 471 175.899 175.899 175.383 0.516 18097 2620 1 4 . 1 1 182 182 CYS CA C 471 60.039 60.039 58.208 1.831 18097 2621 1 4 . 1 1 182 182 CYS H H 471 7.876 7.876 7.654 0.222 18097 2622 1 4 . 1 1 183 183 SER N N 472 118.074 118.074 120.575 -2.501 18097 2623 1 4 . 1 1 183 183 SER HA H 472 4.194 4.194 4.384 -0.190 18097 2624 1 4 . 1 1 183 183 SER C C 472 174.392 174.392 173.849 0.543 18097 2625 1 4 . 1 1 183 183 SER CA C 472 56.337 56.337 58.630 -2.293 18097 2626 1 4 . 1 1 183 183 SER H H 472 8.561 8.561 9.004 -0.443 18097 2627 1 4 . 1 1 184 184 PHE N N 473 125.605 125.605 126.709 -1.104 18097 2628 1 4 . 1 1 184 184 PHE HA H 473 4.825 4.825 4.540 0.285 18097 2629 1 4 . 1 1 184 184 PHE C C 473 175.157 175.157 175.996 -0.839 18097 2630 1 4 . 1 1 184 184 PHE CA C 473 52.534 52.534 54.810 -2.276 18097 2631 1 4 . 1 1 184 184 PHE H H 473 7.275 7.275 8.099 -0.824 18097 2632 1 4 . 1 1 188 188 VAL N N 477 111.123 111.123 118.988 -7.865 18097 2633 1 4 . 1 1 188 188 VAL C C 477 173.279 173.279 174.054 -0.775 18097 2634 1 4 . 1 1 188 188 VAL CA C 477 58.626 58.626 60.114 -1.488 18097 2635 1 4 . 1 1 188 188 VAL H H 477 7.959 7.959 7.800 0.159 18097 2636 1 4 . 1 1 189 189 PHE N N 478 114.592 114.592 118.734 -4.142 18097 2637 1 4 . 1 1 189 189 PHE CA C 478 54.957 54.957 54.349 0.608 18097 2638 1 4 . 1 1 189 189 PHE H H 478 8.774 8.774 9.574 -0.800 18097 2639 1 4 . 1 1 191 191 TYR N N 480 121.836 121.836 126.465 -4.629 18097 2640 1 4 . 1 1 191 191 TYR HA H 480 5.142 5.142 5.118 0.024 18097 2641 1 4 . 1 1 191 191 TYR C C 480 174.693 174.693 174.446 0.247 18097 2642 1 4 . 1 1 191 191 TYR CA C 480 57.078 57.078 57.170 -0.093 18097 2643 1 4 . 1 1 191 191 TYR H H 480 8.356 8.356 8.344 0.012 18097 2644 1 4 . 1 1 192 192 LEU N N 481 129.065 129.065 127.421 1.644 18097 2645 1 4 . 1 1 192 192 LEU HA H 481 4.605 4.605 4.853 -0.248 18097 2646 1 4 . 1 1 192 192 LEU C C 481 174.137 174.137 174.529 -0.392 18097 2647 1 4 . 1 1 192 192 LEU CA C 481 55.563 55.563 54.153 1.410 18097 2648 1 4 . 1 1 192 192 LEU H H 481 8.261 8.261 7.904 0.357 18097 2649 1 4 . 1 1 193 193 ASN N N 482 114.217 114.217 119.285 -5.068 18097 2650 1 4 . 1 1 193 193 ASN CA C 482 49.505 49.505 50.580 -1.075 18097 2651 1 4 . 1 1 193 193 ASN H H 482 8.007 8.007 8.152 -0.145 18097 2652 1 4 . 1 1 198 198 THR N N 487 121.563 121.563 121.766 -0.203 18097 2653 1 4 . 1 1 198 198 THR HA H 487 4.044 4.044 4.126 -0.082 18097 2654 1 4 . 1 1 198 198 THR C C 487 174.206 174.206 174.221 -0.015 18097 2655 1 4 . 1 1 198 198 THR CA C 487 63.203 63.203 63.859 -0.656 18097 2656 1 4 . 1 1 198 198 THR H H 487 8.265 8.265 8.325 -0.060 18097 2657 1 4 . 1 1 199 199 VAL N N 488 129.507 129.507 124.902 4.605 18097 2658 1 4 . 1 1 199 199 VAL C C 488 174.832 174.832 174.331 0.501 18097 2659 1 4 . 1 1 199 199 VAL CA C 488 61.419 61.419 60.855 0.564 18097 2660 1 4 . 1 1 199 199 VAL H H 488 8.737 8.737 7.414 1.323 18097 2661 1 4 . 1 1 201 201 MET N N 490 116.897 116.897 122.964 -6.067 18097 2662 1 4 . 1 1 201 201 MET HA H 490 5.073 5.073 5.244 -0.171 18097 2663 1 4 . 1 1 201 201 MET C C 490 175.180 175.180 175.381 -0.201 18097 2664 1 4 . 1 1 201 201 MET CA C 490 53.712 53.712 54.251 -0.539 18097 2665 1 4 . 1 1 201 201 MET H H 490 8.545 8.545 8.713 -0.168 18097 2666 1 4 . 1 1 202 202 THR N N 491 117.791 117.791 119.671 -1.880 18097 2667 1 4 . 1 1 202 202 THR HA H 491 4.977 4.977 5.005 -0.028 18097 2668 1 4 . 1 1 202 202 THR C C 491 173.981 173.981 174.294 -0.313 18097 2669 1 4 . 1 1 202 202 THR CA C 491 62.058 62.058 61.035 1.023 18097 2670 1 4 . 1 1 202 202 THR H H 491 8.312 8.312 8.313 -0.001 18097 2671 1 4 . 1 1 203 203 LEU N N 492 129.237 129.237 123.505 5.732 18097 2672 1 4 . 1 1 203 203 LEU HA H 492 4.756 4.756 5.165 -0.409 18097 2673 1 4 . 1 1 203 203 LEU C C 492 176.131 176.131 176.941 -0.810 18097 2674 1 4 . 1 1 203 203 LEU CA C 492 55.294 55.294 53.793 1.501 18097 2675 1 4 . 1 1 203 203 LEU H H 492 9.048 9.048 8.085 0.963 18097 2676 1 4 . 1 1 204 204 CYS N N 493 122.012 122.012 121.032 0.980 18097 2677 1 4 . 1 1 204 204 CYS HA H 493 4.577 4.577 4.085 0.492 18097 2678 1 4 . 1 1 204 204 CYS C C 493 174.531 174.531 174.462 0.069 18097 2679 1 4 . 1 1 204 204 CYS CA C 493 58.188 58.188 61.522 -3.334 18097 2680 1 4 . 1 1 204 204 CYS H H 493 8.609 8.609 8.846 -0.237 18097 2681 1 4 . 1 1 205 205 SER N N 494 120.249 120.249 112.049 8.200 18097 2682 1 4 . 1 1 205 205 SER C C 494 171.632 171.632 171.665 -0.033 18097 2683 1 4 . 1 1 205 205 SER CA C 494 56.909 56.909 57.898 -0.989 18097 2684 1 4 . 1 1 205 205 SER H H 494 8.665 8.665 8.490 0.175 18097 2685 1 5 . 1 1 3 3 GLU N N 292 122.345 122.345 122.805 -0.460 18097 2686 1 5 . 1 1 3 3 GLU HA H 292 3.992 3.992 3.987 0.005 18097 2687 1 5 . 1 1 3 3 GLU C C 292 178.218 178.218 177.676 0.542 18097 2688 1 5 . 1 1 3 3 GLU CA C 292 58.828 58.828 59.541 -0.713 18097 2689 1 5 . 1 1 3 3 GLU H H 292 8.831 8.831 8.520 0.311 18097 2690 1 5 . 1 1 4 4 LEU N N 293 121.001 121.001 118.240 2.761 18097 2691 1 5 . 1 1 4 4 LEU C C 293 177.175 177.175 177.609 -0.434 18097 2692 1 5 . 1 1 4 4 LEU CA C 293 57.044 57.044 57.152 -0.108 18097 2693 1 5 . 1 1 4 4 LEU H H 293 7.976 7.976 7.924 0.052 18097 2694 1 5 . 1 1 5 5 THR N N 294 113.069 113.069 114.368 -1.299 18097 2695 1 5 . 1 1 5 5 THR HA H 294 3.916 3.916 3.714 0.202 18097 2696 1 5 . 1 1 5 5 THR C C 294 176.200 176.200 175.368 0.832 18097 2697 1 5 . 1 1 5 5 THR CA C 294 66.164 66.164 66.546 -0.382 18097 2698 1 5 . 1 1 5 5 THR H H 294 7.535 7.535 7.470 0.065 18097 2699 1 5 . 1 1 6 6 ASP N N 295 119.926 119.926 119.984 -0.058 18097 2700 1 5 . 1 1 6 6 ASP HA H 295 4.085 4.085 4.353 -0.268 18097 2701 1 5 . 1 1 6 6 ASP C C 295 177.314 177.314 178.107 -0.793 18097 2702 1 5 . 1 1 6 6 ASP CA C 295 56.808 56.808 56.428 0.380 18097 2703 1 5 . 1 1 6 6 ASP H H 295 7.530 7.530 7.994 -0.464 18097 2704 1 5 . 1 1 7 7 ALA N N 296 121.726 121.726 122.356 -0.630 18097 2705 1 5 . 1 1 7 7 ALA HA H 296 4.109 4.109 3.445 0.664 18097 2706 1 5 . 1 1 7 7 ALA C C 296 178.659 178.659 179.114 -0.455 18097 2707 1 5 . 1 1 7 7 ALA CA C 296 54.655 54.655 53.857 0.798 18097 2708 1 5 . 1 1 7 7 ALA H H 296 7.227 7.227 6.990 0.237 18097 2709 1 5 . 1 1 8 8 ARG N N 297 112.468 112.468 116.474 -4.006 18097 2710 1 5 . 1 1 8 8 ARG C C 297 178.033 178.033 177.953 0.080 18097 2711 1 5 . 1 1 8 8 ARG CA C 297 58.424 58.424 57.878 0.546 18097 2712 1 5 . 1 1 8 8 ARG H H 297 7.370 7.370 7.324 0.046 18097 2713 1 5 . 1 1 9 9 ARG N N 298 118.926 118.926 118.556 0.370 18097 2714 1 5 . 1 1 9 9 ARG HA H 298 3.832 3.832 3.905 -0.073 18097 2715 1 5 . 1 1 9 9 ARG C C 298 176.827 176.827 176.931 -0.104 18097 2716 1 5 . 1 1 9 9 ARG CA C 298 58.289 58.289 58.181 0.108 18097 2717 1 5 . 1 1 9 9 ARG H H 298 7.059 7.059 7.101 -0.042 18097 2718 1 5 . 1 1 10 10 TYR N N 299 118.201 118.201 116.185 2.016 18097 2719 1 5 . 1 1 10 10 TYR HA H 299 4.853 4.853 4.738 0.115 18097 2720 1 5 . 1 1 10 10 TYR C C 299 174.832 174.832 174.360 0.472 18097 2721 1 5 . 1 1 10 10 TYR CA C 299 56.943 56.943 56.128 0.815 18097 2722 1 5 . 1 1 10 10 TYR H H 299 7.800 7.800 7.438 0.362 18097 2723 1 5 . 1 1 11 11 TRP N N 300 123.427 123.427 123.177 0.250 18097 2724 1 5 . 1 1 11 11 TRP HA H 300 4.577 4.577 5.309 -0.732 18097 2725 1 5 . 1 1 11 11 TRP C C 300 177.082 177.082 176.813 0.269 18097 2726 1 5 . 1 1 11 11 TRP CA C 300 58.558 58.558 58.546 0.012 18097 2727 1 5 . 1 1 11 11 TRP H H 300 7.122 7.122 7.647 -0.525 18097 2728 1 5 . 1 1 13 13 ASP N N 302 122.160 122.160 123.882 -1.722 18097 2729 1 5 . 1 1 13 13 ASP HA H 302 4.605 4.605 4.745 -0.140 18097 2730 1 5 . 1 1 13 13 ASP C C 302 174.786 174.786 175.825 -1.039 18097 2731 1 5 . 1 1 13 13 ASP CA C 302 53.005 53.005 53.971 -0.966 18097 2732 1 5 . 1 1 13 13 ASP H H 302 8.496 8.496 8.586 -0.090 18097 2733 1 5 . 1 1 14 14 VAL N N 303 126.934 126.934 125.381 1.553 18097 2734 1 5 . 1 1 14 14 VAL HA H 303 4.096 4.096 4.182 -0.086 18097 2735 1 5 . 1 1 14 14 VAL C C 303 174.670 174.670 175.618 -0.948 18097 2736 1 5 . 1 1 14 14 VAL CA C 303 62.429 62.429 61.270 1.159 18097 2737 1 5 . 1 1 14 14 VAL H H 303 7.877 7.877 8.136 -0.259 18097 2738 1 5 . 1 1 15 15 THR N N 304 114.829 114.829 118.211 -3.382 18097 2739 1 5 . 1 1 15 15 THR HA H 304 4.536 4.536 4.756 -0.220 18097 2740 1 5 . 1 1 15 15 THR C C 304 173.951 173.951 174.189 -0.238 18097 2741 1 5 . 1 1 15 15 THR CA C 304 58.592 58.592 60.206 -1.614 18097 2742 1 5 . 1 1 15 15 THR H H 304 8.321 8.321 8.243 0.078 18097 2743 1 5 . 1 1 16 16 LEU N N 305 121.392 121.392 125.110 -3.718 18097 2744 1 5 . 1 1 16 16 LEU HA H 305 4.322 4.322 4.492 -0.170 18097 2745 1 5 . 1 1 16 16 LEU C C 305 175.876 175.876 176.692 -0.816 18097 2746 1 5 . 1 1 16 16 LEU CA C 305 54.526 54.526 54.876 -0.350 18097 2747 1 5 . 1 1 16 16 LEU H H 305 8.967 8.967 8.496 0.471 18097 2748 1 5 . 1 1 17 17 ALA N N 306 124.039 124.039 125.938 -1.899 18097 2749 1 5 . 1 1 17 17 ALA HA H 306 4.385 4.385 4.742 -0.357 18097 2750 1 5 . 1 1 17 17 ALA C C 306 177.360 177.360 176.635 0.725 18097 2751 1 5 . 1 1 17 17 ALA CA C 306 50.515 50.515 50.693 -0.178 18097 2752 1 5 . 1 1 17 17 ALA H H 306 8.409 8.409 8.247 0.162 18097 2753 1 5 . 1 1 18 18 THR N N 307 114.041 114.041 115.494 -1.453 18097 2754 1 5 . 1 1 18 18 THR HA H 307 4.398 4.398 4.247 0.151 18097 2755 1 5 . 1 1 18 18 THR C C 307 174.206 174.206 174.230 -0.024 18097 2756 1 5 . 1 1 18 18 THR CA C 307 61.722 61.722 62.088 -0.366 18097 2757 1 5 . 1 1 18 18 THR H H 307 8.146 8.146 8.359 -0.213 18097 2758 1 5 . 1 1 19 19 ASN N N 308 119.841 119.841 125.074 -5.233 18097 2759 1 5 . 1 1 19 19 ASN HA H 308 4.687 4.687 4.832 -0.145 18097 2760 1 5 . 1 1 19 19 ASN C C 308 174.577 174.577 175.114 -0.537 18097 2761 1 5 . 1 1 19 19 ASN CA C 308 52.871 52.871 52.036 0.835 18097 2762 1 5 . 1 1 19 19 ASN H H 308 8.470 8.470 8.496 -0.026 18097 2763 1 5 . 1 1 38 38 PRO HA H 327 4.207 4.207 4.527 -0.320 18097 2764 1 5 . 1 1 38 38 PRO C C 327 176.641 176.641 177.720 -1.079 18097 2765 1 5 . 1 1 38 38 PRO CA C 327 63.443 63.443 63.790 -0.347 18097 2766 1 5 . 1 1 38 38 PRO CB C 327 31.714 31.714 32.217 -0.503 18097 2767 1 5 . 1 1 39 39 GLN N N 328 118.424 118.424 118.922 -0.498 18097 2768 1 5 . 1 1 39 39 GLN HA H 328 4.111 4.111 4.268 -0.157 18097 2769 1 5 . 1 1 39 39 GLN C C 328 175.853 175.853 176.295 -0.442 18097 2770 1 5 . 1 1 39 39 GLN CA C 328 56.136 56.136 58.342 -2.206 18097 2771 1 5 . 1 1 39 39 GLN CB C 328 28.981 28.981 28.838 0.143 18097 2772 1 5 . 1 1 39 39 GLN H H 328 8.139 8.139 8.573 -0.434 18097 2773 1 5 . 1 1 40 40 ILE N N 329 119.966 119.966 109.067 10.899 18097 2774 1 5 . 1 1 40 40 ILE HA H 329 3.998 3.998 4.526 -0.528 18097 2775 1 5 . 1 1 40 40 ILE C C 329 175.690 175.690 175.445 0.245 18097 2776 1 5 . 1 1 40 40 ILE CA C 329 60.601 60.601 60.093 0.508 18097 2777 1 5 . 1 1 40 40 ILE CB C 329 38.274 38.274 36.771 1.503 18097 2778 1 5 . 1 1 40 40 ILE H H 329 7.688 7.688 7.681 0.007 18097 2779 1 5 . 1 1 41 41 MET N N 330 123.189 123.189 120.080 3.109 18097 2780 1 5 . 1 1 41 41 MET HA H 330 4.286 4.286 4.166 0.120 18097 2781 1 5 . 1 1 41 41 MET C C 330 175.389 175.389 175.478 -0.089 18097 2782 1 5 . 1 1 41 41 MET CA C 330 55.046 55.046 56.256 -1.210 18097 2783 1 5 . 1 1 41 41 MET CB C 330 32.499 32.499 31.728 0.771 18097 2784 1 5 . 1 1 41 41 MET H H 330 8.044 8.044 8.345 -0.301 18097 2785 1 5 . 1 1 42 42 TYR N N 331 121.297 121.297 114.500 6.797 18097 2786 1 5 . 1 1 42 42 TYR HA H 331 4.398 4.398 4.137 0.261 18097 2787 1 5 . 1 1 42 42 TYR C C 331 174.879 174.879 174.756 0.123 18097 2788 1 5 . 1 1 42 42 TYR CA C 331 57.599 57.599 59.635 -2.036 18097 2789 1 5 . 1 1 42 42 TYR CB C 331 38.825 38.825 36.666 2.159 18097 2790 1 5 . 1 1 42 42 TYR H H 331 8.024 8.024 8.298 -0.274 18097 2791 1 5 . 1 1 43 43 GLN N N 332 122.431 122.431 117.236 5.195 18097 2792 1 5 . 1 1 43 43 GLN HA H 332 4.148 4.148 4.024 0.124 18097 2793 1 5 . 1 1 43 43 GLN C C 332 174.345 174.345 176.202 -1.857 18097 2794 1 5 . 1 1 43 43 GLN CA C 332 54.714 54.714 56.251 -1.537 18097 2795 1 5 . 1 1 43 43 GLN CB C 332 29.741 29.741 29.888 -0.147 18097 2796 1 5 . 1 1 43 43 GLN H H 332 7.894 7.894 7.656 0.238 18097 2797 1 5 . 1 1 44 44 ALA N N 333 126.670 126.670 125.574 1.096 18097 2798 1 5 . 1 1 44 44 ALA HA H 333 4.367 4.367 4.108 0.259 18097 2799 1 5 . 1 1 44 44 ALA C C 333 175.459 175.459 176.380 -0.921 18097 2800 1 5 . 1 1 44 44 ALA CA C 333 50.358 50.358 51.916 -1.558 18097 2801 1 5 . 1 1 44 44 ALA CB C 333 17.603 17.603 18.309 -0.706 18097 2802 1 5 . 1 1 44 44 ALA H H 333 8.141 8.141 7.552 0.589 18097 2803 1 5 . 1 1 45 45 PRO HA H 334 4.273 4.273 4.242 0.031 18097 2804 1 5 . 1 1 45 45 PRO CA C 334 63.318 63.318 62.797 0.520 18097 2805 1 5 . 1 1 45 45 PRO CB C 334 31.697 31.697 30.482 1.215 18097 2806 1 5 . 1 1 46 46 GLY N N 335 109.630 109.630 108.929 0.701 18097 2807 1 5 . 1 1 46 46 GLY C C 335 174.322 174.322 175.025 -0.703 18097 2808 1 5 . 1 1 46 46 GLY CA C 335 45.255 45.255 45.225 0.030 18097 2809 1 5 . 1 1 46 46 GLY H H 335 8.478 8.478 8.369 0.109 18097 2810 1 5 . 1 1 47 47 THR N N 336 113.015 113.015 117.642 -4.627 18097 2811 1 5 . 1 1 47 47 THR HA H 336 4.210 4.210 4.179 0.031 18097 2812 1 5 . 1 1 47 47 THR C C 336 174.067 174.067 174.729 -0.662 18097 2813 1 5 . 1 1 47 47 THR CA C 336 61.547 61.547 63.846 -2.299 18097 2814 1 5 . 1 1 47 47 THR CB C 336 69.516 69.516 69.368 0.148 18097 2815 1 5 . 1 1 47 47 THR H H 336 7.734 7.734 8.205 -0.471 18097 2816 1 5 . 1 1 48 48 LEU N N 337 123.635 123.635 112.777 10.858 18097 2817 1 5 . 1 1 48 48 LEU HA H 337 4.152 4.152 4.189 -0.037 18097 2818 1 5 . 1 1 48 48 LEU C C 337 176.618 176.618 176.478 0.140 18097 2819 1 5 . 1 1 48 48 LEU CA C 337 55.025 55.025 55.513 -0.488 18097 2820 1 5 . 1 1 48 48 LEU CB C 337 42.098 42.098 40.224 1.874 18097 2821 1 5 . 1 1 48 48 LEU H H 337 8.087 8.087 7.376 0.711 18097 2822 1 5 . 1 1 49 49 PHE N N 338 120.255 120.255 120.827 -0.572 18097 2823 1 5 . 1 1 49 49 PHE HA H 338 4.496 4.496 4.399 0.097 18097 2824 1 5 . 1 1 49 49 PHE C C 338 175.227 175.227 176.490 -1.263 18097 2825 1 5 . 1 1 49 49 PHE CA C 338 57.234 57.234 60.660 -3.426 18097 2826 1 5 . 1 1 49 49 PHE CB C 338 39.290 39.290 37.288 2.002 18097 2827 1 5 . 1 1 49 49 PHE H H 338 8.017 8.017 7.831 0.186 18097 2828 1 5 . 1 1 50 50 THR N N 339 115.141 115.141 112.287 2.854 18097 2829 1 5 . 1 1 50 50 THR HA H 339 4.137 4.137 4.210 -0.073 18097 2830 1 5 . 1 1 50 50 THR C C 339 173.255 173.255 174.318 -1.063 18097 2831 1 5 . 1 1 50 50 THR CA C 339 61.244 61.244 64.360 -3.116 18097 2832 1 5 . 1 1 50 50 THR CB C 339 69.643 69.643 67.735 1.908 18097 2833 1 5 . 1 1 50 50 THR H H 339 7.741 7.741 8.229 -0.488 18097 2834 1 5 . 1 1 51 51 PHE N N 340 122.603 122.603 114.677 7.926 18097 2835 1 5 . 1 1 51 51 PHE HA H 340 4.571 4.571 4.791 -0.220 18097 2836 1 5 . 1 1 51 51 PHE C C 340 173.858 173.858 172.608 1.250 18097 2837 1 5 . 1 1 51 51 PHE CA C 340 56.874 56.874 54.771 2.103 18097 2838 1 5 . 1 1 51 51 PHE CB C 340 39.250 39.250 37.711 1.539 18097 2839 1 5 . 1 1 51 51 PHE H H 340 7.996 7.996 7.180 0.816 18097 2840 1 5 . 1 1 52 52 PRO HA H 341 4.278 4.278 4.035 0.243 18097 2841 1 5 . 1 1 52 52 PRO CA C 341 63.297 63.297 63.682 -0.385 18097 2842 1 5 . 1 1 52 52 PRO CB C 341 31.190 31.190 30.378 0.812 18097 2843 1 5 . 1 1 53 53 SER N N 342 114.918 114.918 117.516 -2.598 18097 2844 1 5 . 1 1 53 53 SER HA H 342 4.334 4.334 4.318 0.016 18097 2845 1 5 . 1 1 53 53 SER C C 342 174.508 174.508 176.047 -1.539 18097 2846 1 5 . 1 1 53 53 SER CA C 342 58.019 58.019 60.644 -2.624 18097 2847 1 5 . 1 1 53 53 SER CB C 342 63.587 63.587 63.136 0.451 18097 2848 1 5 . 1 1 53 53 SER H H 342 8.119 8.119 8.275 -0.156 18097 2849 1 5 . 1 1 54 54 LEU N N 343 123.426 123.426 114.972 8.454 18097 2850 1 5 . 1 1 54 54 LEU HA H 343 4.307 4.307 4.146 0.161 18097 2851 1 5 . 1 1 54 54 LEU C C 343 177.314 177.314 177.495 -0.181 18097 2852 1 5 . 1 1 54 54 LEU CA C 343 55.224 55.224 56.934 -1.710 18097 2853 1 5 . 1 1 54 54 LEU CB C 343 41.934 41.934 41.391 0.543 18097 2854 1 5 . 1 1 54 54 LEU H H 343 8.180 8.180 7.737 0.443 18097 2855 1 5 . 1 1 55 55 THR N N 344 112.921 112.921 110.603 2.318 18097 2856 1 5 . 1 1 55 55 THR HA H 344 4.144 4.144 4.317 -0.173 18097 2857 1 5 . 1 1 55 55 THR C C 344 173.928 173.928 174.381 -0.453 18097 2858 1 5 . 1 1 55 55 THR CA C 344 61.565 61.565 62.355 -0.790 18097 2859 1 5 . 1 1 55 55 THR CB C 344 69.396 69.396 70.698 -1.302 18097 2860 1 5 . 1 1 55 55 THR H H 344 7.911 7.911 7.741 0.170 18097 2861 1 5 . 1 1 56 56 ASN N N 345 119.978 119.978 120.910 -0.932 18097 2862 1 5 . 1 1 56 56 ASN HA H 345 4.482 4.482 4.283 0.199 18097 2863 1 5 . 1 1 56 56 ASN C C 345 174.137 174.137 173.831 0.306 18097 2864 1 5 . 1 1 56 56 ASN CA C 345 52.938 52.938 55.818 -2.880 18097 2865 1 5 . 1 1 56 56 ASN CB C 345 38.110 38.110 38.688 -0.577 18097 2866 1 5 . 1 1 56 56 ASN H H 345 8.097 8.097 8.706 -0.609 18097 2867 1 5 . 1 1 57 57 PHE N N 346 120.030 120.030 117.742 2.288 18097 2868 1 5 . 1 1 57 57 PHE HA H 346 4.482 4.482 4.192 0.290 18097 2869 1 5 . 1 1 57 57 PHE C C 346 174.693 174.693 173.767 0.926 18097 2870 1 5 . 1 1 57 57 PHE CA C 346 57.381 57.381 58.272 -0.891 18097 2871 1 5 . 1 1 57 57 PHE CB C 346 39.313 39.313 38.104 1.209 18097 2872 1 5 . 1 1 57 57 PHE H H 346 7.919 7.919 8.565 -0.646 18097 2873 1 5 . 1 1 58 58 ASN N N 347 125.759 125.759 121.763 3.996 18097 2874 1 5 . 1 1 58 58 ASN CA C 347 57.145 57.145 54.304 2.841 18097 2875 1 5 . 1 1 58 58 ASN H H 347 7.656 7.656 7.935 -0.279 18097 2876 1 5 . 1 1 64 64 LEU N N 353 120.532 120.532 120.796 -0.264 18097 2877 1 5 . 1 1 64 64 LEU HA H 353 4.398 4.398 5.329 -0.931 18097 2878 1 5 . 1 1 64 64 LEU C C 353 178.380 178.380 177.083 1.297 18097 2879 1 5 . 1 1 64 64 LEU CA C 353 51.933 51.933 52.532 -0.599 18097 2880 1 5 . 1 1 64 64 LEU H H 353 8.518 8.518 8.761 -0.243 18097 2881 1 5 . 1 1 65 65 GLY N N 354 102.514 102.514 106.372 -3.858 18097 2882 1 5 . 1 1 65 65 GLY C C 354 172.884 172.884 174.539 -1.655 18097 2883 1 5 . 1 1 65 65 GLY CA C 354 44.491 44.491 44.601 -0.110 18097 2884 1 5 . 1 1 65 65 GLY H H 354 8.051 8.051 8.077 -0.026 18097 2885 1 5 . 1 1 66 66 SER N N 355 113.869 113.869 112.983 0.886 18097 2886 1 5 . 1 1 66 66 SER HA H 355 4.015 4.015 4.239 -0.224 18097 2887 1 5 . 1 1 66 66 SER C C 355 174.276 174.276 175.117 -0.841 18097 2888 1 5 . 1 1 66 66 SER CA C 355 59.770 59.770 59.394 0.376 18097 2889 1 5 . 1 1 66 66 SER H H 355 8.724 8.724 8.539 0.185 18097 2890 1 5 . 1 1 67 67 GLN N N 356 121.985 121.985 120.599 1.386 18097 2891 1 5 . 1 1 67 67 GLN HA H 356 4.474 4.474 4.610 -0.136 18097 2892 1 5 . 1 1 67 67 GLN C C 356 173.905 173.905 174.660 -0.755 18097 2893 1 5 . 1 1 67 67 GLN CA C 356 54.655 54.655 54.625 0.030 18097 2894 1 5 . 1 1 67 67 GLN H H 356 7.995 7.995 8.040 -0.045 18097 2895 1 5 . 1 1 68 68 SER N N 357 118.695 118.695 117.384 1.311 18097 2896 1 5 . 1 1 68 68 SER HA H 357 4.852 4.852 3.676 1.176 18097 2897 1 5 . 1 1 68 68 SER C C 357 173.835 173.835 173.693 0.142 18097 2898 1 5 . 1 1 68 68 SER CA C 357 56.472 56.472 56.452 0.020 18097 2899 1 5 . 1 1 68 68 SER H H 357 8.145 8.145 8.480 -0.335 18097 2900 1 5 . 1 1 69 69 ILE N N 358 123.370 123.370 121.379 1.991 18097 2901 1 5 . 1 1 69 69 ILE C C 358 175.018 175.018 174.700 0.318 18097 2902 1 5 . 1 1 69 69 ILE CA C 358 60.780 60.780 60.798 -0.018 18097 2903 1 5 . 1 1 69 69 ILE H H 358 8.813 8.813 8.084 0.729 18097 2904 1 5 . 1 1 70 70 THR N N 359 113.324 113.324 115.729 -2.405 18097 2905 1 5 . 1 1 70 70 THR HA H 359 3.967 3.967 3.406 0.561 18097 2906 1 5 . 1 1 70 70 THR C C 359 172.026 172.026 173.228 -1.202 18097 2907 1 5 . 1 1 70 70 THR CA C 359 59.366 59.366 60.204 -0.838 18097 2908 1 5 . 1 1 70 70 THR H H 359 8.250 8.250 8.401 -0.151 18097 2909 1 5 . 1 1 71 71 SER N N 360 111.494 111.494 113.740 -2.246 18097 2910 1 5 . 1 1 71 71 SER HA H 360 4.085 4.085 4.467 -0.382 18097 2911 1 5 . 1 1 71 71 SER C C 360 173.835 173.835 173.464 0.371 18097 2912 1 5 . 1 1 71 71 SER CA C 360 57.818 57.818 58.375 -0.557 18097 2913 1 5 . 1 1 71 71 SER H H 360 6.964 6.964 7.034 -0.070 18097 2914 1 5 . 1 1 72 72 GLY N N 361 112.909 112.909 108.283 4.626 18097 2915 1 5 . 1 1 72 72 GLY C C 361 171.400 171.400 172.485 -1.085 18097 2916 1 5 . 1 1 72 72 GLY CA C 361 45.265 45.265 44.894 0.371 18097 2917 1 5 . 1 1 72 72 GLY H H 361 10.408 10.408 8.649 1.759 18097 2918 1 5 . 1 1 73 73 LYS N N 362 118.005 118.005 120.386 -2.381 18097 2919 1 5 . 1 1 73 73 LYS C C 362 175.366 175.366 175.562 -0.196 18097 2920 1 5 . 1 1 73 73 LYS CA C 362 54.621 54.621 55.289 -0.668 18097 2921 1 5 . 1 1 73 73 LYS H H 362 7.310 7.310 8.052 -0.742 18097 2922 1 5 . 1 1 74 74 HIS N N 363 118.405 118.405 119.362 -0.957 18097 2923 1 5 . 1 1 74 74 HIS HA H 363 4.880 4.880 5.384 -0.504 18097 2924 1 5 . 1 1 74 74 HIS C C 363 172.467 172.467 173.457 -0.990 18097 2925 1 5 . 1 1 74 74 HIS CA C 363 56.371 56.371 55.038 1.333 18097 2926 1 5 . 1 1 74 74 HIS H H 363 8.399 8.399 8.686 -0.287 18097 2927 1 5 . 1 1 75 75 TYR N N 364 125.182 125.182 124.075 1.107 18097 2928 1 5 . 1 1 75 75 TYR C C 364 172.852 172.852 172.974 -0.122 18097 2929 1 5 . 1 1 75 75 TYR CA C 364 55.361 55.361 56.273 -0.912 18097 2930 1 5 . 1 1 75 75 TYR H H 364 8.153 8.153 8.790 -0.637 18097 2931 1 5 . 1 1 76 76 TRP N N 365 123.210 123.210 124.038 -0.828 18097 2932 1 5 . 1 1 76 76 TRP C C 365 171.510 171.510 172.880 -1.370 18097 2933 1 5 . 1 1 76 76 TRP CA C 365 57.549 57.549 55.711 1.838 18097 2934 1 5 . 1 1 76 76 TRP H H 365 7.621 7.621 7.582 0.039 18097 2935 1 5 . 1 1 78 78 VAL N N 367 122.416 122.416 121.830 0.586 18097 2936 1 5 . 1 1 78 78 VAL HA H 367 4.756 4.756 4.738 0.018 18097 2937 1 5 . 1 1 78 78 VAL C C 367 174.461 174.461 174.145 0.316 18097 2938 1 5 . 1 1 78 78 VAL CA C 367 60.208 60.208 60.928 -0.720 18097 2939 1 5 . 1 1 78 78 VAL H H 367 8.910 8.910 8.951 -0.041 18097 2940 1 5 . 1 1 79 79 ASP N N 368 128.257 128.257 127.119 1.138 18097 2941 1 5 . 1 1 79 79 ASP C C 368 175.343 175.343 175.642 -0.299 18097 2942 1 5 . 1 1 79 79 ASP CA C 368 53.914 53.914 53.189 0.725 18097 2943 1 5 . 1 1 79 79 ASP H H 368 9.795 9.795 9.094 0.701 18097 2944 1 5 . 1 1 80 80 VAL N N 369 118.519 118.519 120.185 -1.666 18097 2945 1 5 . 1 1 80 80 VAL C C 369 176.131 176.131 175.246 0.885 18097 2946 1 5 . 1 1 80 80 VAL CA C 369 59.027 59.027 60.173 -1.146 18097 2947 1 5 . 1 1 80 80 VAL H H 369 8.394 8.394 7.688 0.706 18097 2948 1 5 . 1 1 81 81 SER N N 370 123.584 123.584 119.764 3.820 18097 2949 1 5 . 1 1 81 81 SER C C 370 174.829 174.829 174.924 -0.095 18097 2950 1 5 . 1 1 81 81 SER CA C 370 61.285 61.285 59.901 1.384 18097 2951 1 5 . 1 1 81 81 SER H H 370 8.754 8.754 8.271 0.483 18097 2952 1 5 . 1 1 82 82 LYS N N 371 115.025 115.025 121.114 -6.089 18097 2953 1 5 . 1 1 82 82 LYS C C 371 175.922 175.922 176.231 -0.309 18097 2954 1 5 . 1 1 82 82 LYS CA C 371 58.222 58.222 57.993 0.229 18097 2955 1 5 . 1 1 82 82 LYS H H 371 8.789 8.789 8.881 -0.092 18097 2956 1 5 . 1 1 83 83 LYS N N 372 117.904 117.904 119.854 -1.950 18097 2957 1 5 . 1 1 83 83 LYS C C 372 177.824 177.824 177.332 0.492 18097 2958 1 5 . 1 1 83 83 LYS CA C 372 57.784 57.784 56.200 1.584 18097 2959 1 5 . 1 1 83 83 LYS H H 372 7.825 7.825 7.544 0.281 18097 2960 1 5 . 1 1 84 84 SER N N 373 122.569 122.569 116.953 5.616 18097 2961 1 5 . 1 1 84 84 SER HA H 373 4.348 4.348 4.475 -0.127 18097 2962 1 5 . 1 1 84 84 SER C C 373 172.270 172.270 173.015 -0.745 18097 2963 1 5 . 1 1 84 84 SER CA C 373 58.996 58.996 57.812 1.184 18097 2964 1 5 . 1 1 84 84 SER H H 373 9.839 9.839 8.633 1.206 18097 2965 1 5 . 1 1 85 85 ALA N N 374 120.821 120.821 120.262 0.559 18097 2966 1 5 . 1 1 85 85 ALA C C 374 174.253 174.253 174.764 -0.511 18097 2967 1 5 . 1 1 85 85 ALA CA C 374 51.020 51.020 51.781 -0.761 18097 2968 1 5 . 1 1 85 85 ALA H H 374 7.130 7.130 7.349 -0.219 18097 2969 1 5 . 1 1 86 86 TRP N N 375 109.378 109.378 116.045 -6.667 18097 2970 1 5 . 1 1 86 86 TRP C C 375 176.096 176.096 173.232 2.864 18097 2971 1 5 . 1 1 86 86 TRP CA C 375 56.909 56.909 56.487 0.422 18097 2972 1 5 . 1 1 86 86 TRP H H 375 7.876 7.876 7.680 0.196 18097 2973 1 5 . 1 1 87 87 ILE N N 376 118.409 118.409 121.629 -3.220 18097 2974 1 5 . 1 1 87 87 ILE C C 376 175.405 175.405 174.814 0.591 18097 2975 1 5 . 1 1 87 87 ILE CA C 376 60.679 60.679 59.864 0.815 18097 2976 1 5 . 1 1 87 87 ILE H H 376 9.270 9.270 9.131 0.139 18097 2977 1 5 . 1 1 88 88 LEU N N 377 122.952 122.952 121.935 1.017 18097 2978 1 5 . 1 1 88 88 LEU C C 377 174.967 174.967 175.957 -0.990 18097 2979 1 5 . 1 1 88 88 LEU CA C 377 54.520 54.520 53.208 1.312 18097 2980 1 5 . 1 1 88 88 LEU H H 377 9.422 9.422 8.648 0.774 18097 2981 1 5 . 1 1 89 89 GLY N N 378 103.446 103.446 108.214 -4.768 18097 2982 1 5 . 1 1 89 89 GLY C C 378 171.976 171.976 172.808 -0.832 18097 2983 1 5 . 1 1 89 89 GLY CA C 378 47.251 47.251 46.723 0.528 18097 2984 1 5 . 1 1 89 89 GLY H H 378 8.366 8.366 8.708 -0.342 18097 2985 1 5 . 1 1 90 90 VAL N N 379 130.348 130.348 120.848 9.500 18097 2986 1 5 . 1 1 90 90 VAL HA H 379 4.164 4.164 5.161 -0.997 18097 2987 1 5 . 1 1 90 90 VAL C C 379 172.847 172.847 174.008 -1.161 18097 2988 1 5 . 1 1 90 90 VAL CA C 379 60.477 60.477 61.284 -0.807 18097 2989 1 5 . 1 1 90 90 VAL H H 379 9.224 9.224 8.540 0.684 18097 2990 1 5 . 1 1 91 91 CYS N N 380 122.658 122.658 123.804 -1.146 18097 2991 1 5 . 1 1 91 91 CYS C C 380 173.630 173.630 173.516 0.114 18097 2992 1 5 . 1 1 91 91 CYS CA C 380 55.429 55.429 55.853 -0.424 18097 2993 1 5 . 1 1 91 91 CYS H H 380 9.398 9.398 9.364 0.034 18097 2994 1 5 . 1 1 92 92 ALA N N 381 127.998 127.998 125.468 2.530 18097 2995 1 5 . 1 1 92 92 ALA HA H 381 5.049 5.049 5.059 -0.010 18097 2996 1 5 . 1 1 92 92 ALA C C 381 176.479 176.479 176.218 0.261 18097 2997 1 5 . 1 1 92 92 ALA CA C 381 52.400 52.400 51.269 1.131 18097 2998 1 5 . 1 1 92 92 ALA H H 381 9.478 9.478 7.985 1.493 18097 2999 1 5 . 1 1 93 93 GLY N N 382 108.533 108.533 105.566 2.967 18097 3000 1 5 . 1 1 93 93 GLY C C 382 173.580 173.580 173.031 0.549 18097 3001 1 5 . 1 1 93 93 GLY CA C 382 43.212 43.212 44.193 -0.981 18097 3002 1 5 . 1 1 93 93 GLY H H 382 8.194 8.194 7.216 0.978 18097 3003 1 5 . 1 1 94 94 PHE N N 383 116.476 116.476 118.435 -1.959 18097 3004 1 5 . 1 1 94 94 PHE HA H 383 4.536 4.536 4.972 -0.436 18097 3005 1 5 . 1 1 94 94 PHE C C 383 178.079 178.079 176.859 1.220 18097 3006 1 5 . 1 1 94 94 PHE CA C 383 56.627 56.627 56.417 0.210 18097 3007 1 5 . 1 1 94 94 PHE H H 383 8.290 8.290 8.259 0.031 18097 3008 1 5 . 1 1 105 105 ASN N N 394 112.033 112.033 116.134 -4.101 18097 3009 1 5 . 1 1 105 105 ASN HA H 394 4.715 4.715 5.117 -0.402 18097 3010 1 5 . 1 1 105 105 ASN C C 394 173.835 173.835 173.481 0.354 18097 3011 1 5 . 1 1 105 105 ASN CA C 394 51.929 51.929 52.257 -0.328 18097 3012 1 5 . 1 1 105 105 ASN H H 394 6.912 6.912 7.730 -0.818 18097 3013 1 5 . 1 1 106 106 GLU N N 395 117.585 117.585 116.402 1.183 18097 3014 1 5 . 1 1 106 106 GLU C C 395 175.574 175.574 175.082 0.492 18097 3015 1 5 . 1 1 106 106 GLU CA C 395 56.808 56.808 57.093 -0.285 18097 3016 1 5 . 1 1 106 106 GLU H H 395 7.354 7.354 7.778 -0.424 18097 3017 1 5 . 1 1 107 107 ASN N N 396 118.664 118.664 118.216 0.448 18097 3018 1 5 . 1 1 107 107 ASN HA H 396 4.536 4.536 4.686 -0.150 18097 3019 1 5 . 1 1 107 107 ASN C C 396 173.441 173.441 173.702 -0.261 18097 3020 1 5 . 1 1 107 107 ASN CA C 396 50.448 50.448 51.568 -1.120 18097 3021 1 5 . 1 1 107 107 ASN H H 396 8.082 8.082 7.570 0.512 18097 3022 1 5 . 1 1 108 108 TYR N N 397 117.301 117.301 120.824 -3.523 18097 3023 1 5 . 1 1 108 108 TYR HA H 397 4.605 4.605 3.916 0.689 18097 3024 1 5 . 1 1 108 108 TYR C C 397 173.186 173.186 174.733 -1.547 18097 3025 1 5 . 1 1 108 108 TYR CA C 397 55.530 55.530 58.290 -2.760 18097 3026 1 5 . 1 1 108 108 TYR H H 397 6.101 6.101 7.196 -1.095 18097 3027 1 5 . 1 1 109 109 GLN N N 398 114.934 114.934 120.923 -5.989 18097 3028 1 5 . 1 1 109 109 GLN C C 398 175.064 175.064 174.077 0.987 18097 3029 1 5 . 1 1 109 109 GLN CA C 398 53.241 53.241 52.775 0.466 18097 3030 1 5 . 1 1 109 109 GLN H H 398 6.115 6.115 8.383 -2.268 18097 3031 1 5 . 1 1 111 111 LYS N N 400 120.723 120.723 115.166 5.557 18097 3032 1 5 . 1 1 111 111 LYS HA H 400 4.068 4.068 4.040 0.028 18097 3033 1 5 . 1 1 111 111 LYS C C 400 177.244 177.244 177.272 -0.028 18097 3034 1 5 . 1 1 111 111 LYS CA C 400 58.289 58.289 58.131 0.158 18097 3035 1 5 . 1 1 111 111 LYS H H 400 10.775 10.775 7.992 2.783 18097 3036 1 5 . 1 1 112 112 TYR N N 401 120.182 120.182 117.661 2.521 18097 3037 1 5 . 1 1 112 112 TYR HA H 401 3.612 3.612 4.608 -0.996 18097 3038 1 5 . 1 1 112 112 TYR C C 401 175.853 175.853 174.946 0.907 18097 3039 1 5 . 1 1 112 112 TYR CA C 401 53.847 53.847 56.059 -2.212 18097 3040 1 5 . 1 1 112 112 TYR H H 401 7.647 7.647 7.566 0.081 18097 3041 1 5 . 1 1 113 113 GLY N N 402 107.764 107.764 106.812 0.952 18097 3042 1 5 . 1 1 113 113 GLY C C 402 171.679 171.679 172.401 -0.722 18097 3043 1 5 . 1 1 113 113 GLY CA C 402 45.972 45.972 44.827 1.145 18097 3044 1 5 . 1 1 113 113 GLY H H 402 8.057 8.057 7.090 0.967 18097 3045 1 5 . 1 1 114 114 TYR N N 403 115.659 115.659 118.471 -2.812 18097 3046 1 5 . 1 1 114 114 TYR C C 403 173.013 173.013 174.842 -1.829 18097 3047 1 5 . 1 1 114 114 TYR CA C 403 57.515 57.515 56.694 0.821 18097 3048 1 5 . 1 1 114 114 TYR H H 403 6.585 6.585 7.054 -0.469 18097 3049 1 5 . 1 1 115 115 TRP N N 404 125.437 125.437 127.103 -1.666 18097 3050 1 5 . 1 1 115 115 TRP C C 404 175.405 175.405 174.548 0.857 18097 3051 1 5 . 1 1 115 115 TRP CA C 404 57.650 57.650 55.756 1.894 18097 3052 1 5 . 1 1 115 115 TRP H H 404 8.420 8.420 9.093 -0.673 18097 3053 1 5 . 1 1 116 116 VAL N N 405 116.317 116.317 117.647 -1.330 18097 3054 1 5 . 1 1 116 116 VAL C C 405 174.368 174.368 174.112 0.256 18097 3055 1 5 . 1 1 116 116 VAL CA C 405 58.525 58.525 58.830 -0.305 18097 3056 1 5 . 1 1 116 116 VAL H H 405 9.825 9.825 7.819 2.006 18097 3057 1 5 . 1 1 117 117 ILE N N 406 110.464 110.464 114.382 -3.918 18097 3058 1 5 . 1 1 117 117 ILE C C 406 174.879 174.879 174.636 0.243 18097 3059 1 5 . 1 1 117 117 ILE CA C 406 58.929 58.929 58.703 0.226 18097 3060 1 5 . 1 1 117 117 ILE H H 406 8.268 8.268 8.510 -0.242 18097 3061 1 5 . 1 1 118 118 GLY N N 407 105.424 105.424 108.419 -2.995 18097 3062 1 5 . 1 1 118 118 GLY C C 407 169.418 169.418 170.967 -1.549 18097 3063 1 5 . 1 1 118 118 GLY CA C 407 45.770 45.770 43.711 2.059 18097 3064 1 5 . 1 1 118 118 GLY H H 407 9.115 9.115 8.906 0.209 18097 3065 1 5 . 1 1 119 119 LEU N N 408 118.628 118.628 119.908 -1.280 18097 3066 1 5 . 1 1 119 119 LEU C C 408 176.224 176.224 173.937 2.287 18097 3067 1 5 . 1 1 119 119 LEU CA C 408 52.265 52.265 52.441 -0.175 18097 3068 1 5 . 1 1 119 119 LEU H H 408 7.892 7.892 7.406 0.486 18097 3069 1 5 . 1 1 120 120 GLN N N 409 123.541 123.541 124.156 -0.615 18097 3070 1 5 . 1 1 120 120 GLN HA H 409 4.233 4.233 4.736 -0.502 18097 3071 1 5 . 1 1 120 120 GLN C C 409 173.000 173.000 175.184 -2.184 18097 3072 1 5 . 1 1 120 120 GLN CA C 409 54.284 54.284 54.620 -0.336 18097 3073 1 5 . 1 1 120 120 GLN H H 409 8.375 8.375 8.456 -0.081 18097 3074 1 5 . 1 1 121 121 GLU N N 410 117.179 117.179 120.617 -3.438 18097 3075 1 5 . 1 1 121 121 GLU C C 410 176.800 176.800 176.355 0.445 18097 3076 1 5 . 1 1 121 121 GLU CA C 410 56.809 56.809 57.197 -0.388 18097 3077 1 5 . 1 1 121 121 GLU H H 410 8.864 8.864 9.180 -0.316 18097 3078 1 5 . 1 1 125 125 TYR N N 414 128.783 128.783 123.668 5.115 18097 3079 1 5 . 1 1 125 125 TYR HA H 414 5.192 5.192 5.356 -0.164 18097 3080 1 5 . 1 1 125 125 TYR C C 414 176.827 176.827 176.236 0.591 18097 3081 1 5 . 1 1 125 125 TYR CA C 414 57.212 57.212 57.726 -0.514 18097 3082 1 5 . 1 1 125 125 TYR H H 414 9.145 9.145 8.518 0.627 18097 3083 1 5 . 1 1 126 126 SER N N 415 117.388 117.388 114.713 2.675 18097 3084 1 5 . 1 1 126 126 SER HA H 415 5.049 5.049 5.098 -0.049 18097 3085 1 5 . 1 1 126 126 SER C C 415 170.913 170.913 172.003 -1.090 18097 3086 1 5 . 1 1 126 126 SER CA C 415 57.482 57.482 57.799 -0.317 18097 3087 1 5 . 1 1 126 126 SER H H 415 9.192 9.192 9.122 0.070 18097 3088 1 5 . 1 1 127 127 VAL N N 416 119.557 119.557 121.334 -1.777 18097 3089 1 5 . 1 1 127 127 VAL C C 416 172.653 172.653 173.975 -1.322 18097 3090 1 5 . 1 1 127 127 VAL CA C 416 59.703 59.703 59.899 -0.196 18097 3091 1 5 . 1 1 127 127 VAL H H 416 8.761 8.761 8.767 -0.006 18097 3092 1 5 . 1 1 128 128 PHE N N 417 127.341 127.341 129.657 -2.316 18097 3093 1 5 . 1 1 128 128 PHE HA H 417 4.267 4.267 4.695 -0.428 18097 3094 1 5 . 1 1 128 128 PHE C C 417 174.925 174.925 175.015 -0.090 18097 3095 1 5 . 1 1 128 128 PHE CA C 417 58.458 58.458 59.260 -0.802 18097 3096 1 5 . 1 1 128 128 PHE H H 417 7.150 7.150 8.379 -1.229 18097 3097 1 5 . 1 1 129 129 GLN N N 418 122.834 122.834 121.141 1.693 18097 3098 1 5 . 1 1 129 129 GLN HA H 418 4.125 4.125 4.759 -0.634 18097 3099 1 5 . 1 1 129 129 GLN C C 418 176.038 176.038 175.065 0.973 18097 3100 1 5 . 1 1 129 129 GLN CA C 418 53.679 53.679 53.934 -0.255 18097 3101 1 5 . 1 1 129 129 GLN H H 418 8.693 8.693 7.726 0.967 18097 3102 1 5 . 1 1 130 130 ASP N N 419 119.994 119.994 120.373 -0.379 18097 3103 1 5 . 1 1 130 130 ASP HA H 419 4.964 4.964 4.698 0.266 18097 3104 1 5 . 1 1 130 130 ASP C C 419 178.218 178.218 176.706 1.512 18097 3105 1 5 . 1 1 130 130 ASP CA C 419 54.991 54.991 55.433 -0.442 18097 3106 1 5 . 1 1 130 130 ASP H H 419 8.425 8.425 8.507 -0.082 18097 3107 1 5 . 1 1 131 131 GLY N N 420 107.499 107.499 109.170 -1.671 18097 3108 1 5 . 1 1 131 131 GLY C C 420 174.415 174.415 173.216 1.199 18097 3109 1 5 . 1 1 131 131 GLY CA C 420 44.735 44.735 43.721 1.014 18097 3110 1 5 . 1 1 131 131 GLY H H 420 8.112 8.112 8.978 -0.866 18097 3111 1 5 . 1 1 132 132 SER N N 421 115.128 115.128 114.235 0.893 18097 3112 1 5 . 1 1 132 132 SER C C 421 176.177 176.177 176.541 -0.364 18097 3113 1 5 . 1 1 132 132 SER CA C 421 57.515 57.515 57.403 0.112 18097 3114 1 5 . 1 1 132 132 SER H H 421 8.016 8.016 8.506 -0.490 18097 3115 1 5 . 1 1 137 137 PHE N N 426 115.968 115.968 115.757 0.211 18097 3116 1 5 . 1 1 137 137 PHE HA H 426 4.525 4.525 4.600 -0.075 18097 3117 1 5 . 1 1 137 137 PHE C C 426 173.511 173.511 175.034 -1.523 18097 3118 1 5 . 1 1 137 137 PHE CA C 426 56.707 56.707 57.686 -0.979 18097 3119 1 5 . 1 1 137 137 PHE H H 426 7.817 7.817 7.665 0.152 18097 3120 1 5 . 1 1 138 138 ALA N N 427 124.435 124.435 121.107 3.328 18097 3121 1 5 . 1 1 138 138 ALA HA H 427 4.219 4.219 4.856 -0.637 18097 3122 1 5 . 1 1 138 138 ALA C C 427 173.835 173.835 174.322 -0.487 18097 3123 1 5 . 1 1 138 138 ALA CA C 427 48.933 48.933 49.467 -0.534 18097 3124 1 5 . 1 1 138 138 ALA H H 427 7.451 7.451 7.653 -0.202 18097 3125 1 5 . 1 1 140 140 PHE N N 429 122.819 122.819 121.943 0.876 18097 3126 1 5 . 1 1 140 140 PHE HA H 429 4.795 4.795 4.745 0.050 18097 3127 1 5 . 1 1 140 140 PHE C C 429 173.232 173.232 174.719 -1.487 18097 3128 1 5 . 1 1 140 140 PHE CA C 429 55.556 55.556 55.773 -0.217 18097 3129 1 5 . 1 1 140 140 PHE H H 429 8.009 8.009 8.111 -0.102 18097 3130 1 5 . 1 1 141 141 ILE N N 430 127.916 127.916 125.052 2.864 18097 3131 1 5 . 1 1 141 141 ILE HA H 430 3.992 3.992 3.735 0.257 18097 3132 1 5 . 1 1 141 141 ILE C C 430 175.459 175.459 175.356 0.103 18097 3133 1 5 . 1 1 141 141 ILE CA C 430 60.443 60.443 62.172 -1.729 18097 3134 1 5 . 1 1 141 141 ILE H H 430 8.069 8.069 7.647 0.422 18097 3135 1 5 . 1 1 142 142 VAL N N 431 131.283 131.283 127.644 3.639 18097 3136 1 5 . 1 1 142 142 VAL HA H 431 4.261 4.261 4.338 -0.077 18097 3137 1 5 . 1 1 142 142 VAL C C 431 173.580 173.580 173.879 -0.299 18097 3138 1 5 . 1 1 142 142 VAL CA C 431 58.828 58.828 58.358 0.470 18097 3139 1 5 . 1 1 142 142 VAL H H 431 8.332 8.332 8.224 0.108 18097 3140 1 5 . 1 1 145 145 SER N N 434 121.965 121.965 118.818 3.147 18097 3141 1 5 . 1 1 145 145 SER C C 434 174.529 174.529 174.101 0.428 18097 3142 1 5 . 1 1 145 145 SER H H 434 8.546 8.546 8.600 -0.054 18097 3143 1 5 . 1 1 149 149 CYS N N 438 126.863 126.863 127.915 -1.052 18097 3144 1 5 . 1 1 149 149 CYS C C 438 173.441 173.441 173.142 0.299 18097 3145 1 5 . 1 1 149 149 CYS CA C 438 58.256 58.256 59.271 -1.015 18097 3146 1 5 . 1 1 149 149 CYS H H 438 8.557 8.557 8.508 0.049 18097 3147 1 5 . 1 1 151 151 ASP N N 440 123.283 123.283 120.904 2.379 18097 3148 1 5 . 1 1 151 151 ASP HA H 440 4.550 4.550 4.762 -0.212 18097 3149 1 5 . 1 1 151 151 ASP C C 440 175.505 175.505 175.456 0.049 18097 3150 1 5 . 1 1 151 151 ASP CA C 440 55.227 55.227 54.779 0.448 18097 3151 1 5 . 1 1 151 151 ASP H H 440 9.027 9.027 9.102 -0.075 18097 3152 1 5 . 1 1 152 152 ARG N N 441 116.407 116.407 118.269 -1.862 18097 3153 1 5 . 1 1 152 152 ARG HA H 441 4.316 4.316 4.806 -0.490 18097 3154 1 5 . 1 1 152 152 ARG C C 441 173.858 173.858 173.394 0.464 18097 3155 1 5 . 1 1 152 152 ARG CA C 441 54.486 54.486 55.910 -1.424 18097 3156 1 5 . 1 1 152 152 ARG H H 441 6.962 6.962 7.334 -0.372 18097 3157 1 5 . 1 1 153 153 VAL N N 442 123.155 123.155 126.039 -2.884 18097 3158 1 5 . 1 1 153 153 VAL C C 442 174.967 174.967 174.853 0.114 18097 3159 1 5 . 1 1 153 153 VAL CA C 442 60.174 60.174 60.335 -0.161 18097 3160 1 5 . 1 1 153 153 VAL H H 442 8.689 8.689 8.778 -0.089 18097 3161 1 5 . 1 1 154 154 GLY N N 443 114.213 114.213 114.101 0.112 18097 3162 1 5 . 1 1 154 154 GLY C C 443 171.584 171.584 172.617 -1.033 18097 3163 1 5 . 1 1 154 154 GLY CA C 443 44.827 44.827 43.468 1.359 18097 3164 1 5 . 1 1 154 154 GLY H H 443 9.100 9.100 8.814 0.286 18097 3165 1 5 . 1 1 155 155 VAL N N 444 126.435 126.435 125.521 0.914 18097 3166 1 5 . 1 1 155 155 VAL HA H 444 4.123 4.123 4.570 -0.447 18097 3167 1 5 . 1 1 155 155 VAL C C 444 171.856 171.856 173.587 -1.731 18097 3168 1 5 . 1 1 155 155 VAL CA C 444 60.712 60.712 60.315 0.397 18097 3169 1 5 . 1 1 155 155 VAL H H 444 8.485 8.485 8.379 0.106 18097 3170 1 5 . 1 1 156 156 PHE N N 445 122.110 122.110 128.919 -6.809 18097 3171 1 5 . 1 1 156 156 PHE HA H 445 4.580 4.580 5.413 -0.833 18097 3172 1 5 . 1 1 156 156 PHE C C 445 174.598 174.598 173.350 1.248 18097 3173 1 5 . 1 1 156 156 PHE CA C 445 53.174 53.174 54.729 -1.555 18097 3174 1 5 . 1 1 156 156 PHE H H 445 8.441 8.441 8.613 -0.172 18097 3175 1 5 . 1 1 157 157 VAL N N 446 130.057 130.057 127.299 2.758 18097 3176 1 5 . 1 1 157 157 VAL HA H 446 4.275 4.275 4.621 -0.346 18097 3177 1 5 . 1 1 157 157 VAL C C 446 172.086 172.086 173.499 -1.413 18097 3178 1 5 . 1 1 157 157 VAL CA C 446 59.837 59.837 60.775 -0.938 18097 3179 1 5 . 1 1 157 157 VAL H H 446 9.139 9.139 8.839 0.300 18097 3180 1 5 . 1 1 158 158 ASP N N 447 124.791 124.791 127.367 -2.576 18097 3181 1 5 . 1 1 158 158 ASP HA H 447 4.491 4.491 4.747 -0.256 18097 3182 1 5 . 1 1 158 158 ASP C C 447 176.456 176.456 176.359 0.097 18097 3183 1 5 . 1 1 158 158 ASP CA C 447 51.794 51.794 51.356 0.438 18097 3184 1 5 . 1 1 158 158 ASP H H 447 7.608 7.608 8.416 -0.808 18097 3185 1 5 . 1 1 159 159 TYR N N 448 125.168 125.168 126.539 -1.371 18097 3186 1 5 . 1 1 159 159 TYR HA H 448 3.793 3.793 4.103 -0.310 18097 3187 1 5 . 1 1 159 159 TYR C C 448 177.894 177.894 176.794 1.100 18097 3188 1 5 . 1 1 159 159 TYR CA C 448 61.688 61.688 62.677 -0.989 18097 3189 1 5 . 1 1 159 159 TYR H H 448 8.778 8.778 8.077 0.701 18097 3190 1 5 . 1 1 160 160 GLU N N 449 116.788 116.788 116.815 -0.027 18097 3191 1 5 . 1 1 160 160 GLU HA H 449 3.967 3.967 4.032 -0.065 18097 3192 1 5 . 1 1 160 160 GLU C C 449 178.520 178.520 176.672 1.848 18097 3193 1 5 . 1 1 160 160 GLU CA C 449 60.578 60.578 58.777 1.801 18097 3194 1 5 . 1 1 160 160 GLU H H 449 8.003 8.003 8.707 -0.704 18097 3195 1 5 . 1 1 161 161 ALA N N 450 119.184 119.184 117.748 1.436 18097 3196 1 5 . 1 1 161 161 ALA HA H 450 4.026 4.026 4.203 -0.177 18097 3197 1 5 . 1 1 161 161 ALA C C 450 176.664 176.664 177.242 -0.578 18097 3198 1 5 . 1 1 161 161 ALA CA C 450 51.895 51.895 52.464 -0.569 18097 3199 1 5 . 1 1 161 161 ALA H H 450 7.695 7.695 8.305 -0.610 18097 3200 1 5 . 1 1 162 162 CYS N N 451 112.485 112.485 115.260 -2.775 18097 3201 1 5 . 1 1 162 162 CYS C C 451 173.047 173.047 172.772 0.275 18097 3202 1 5 . 1 1 162 162 CYS CA C 451 59.063 59.063 58.895 0.168 18097 3203 1 5 . 1 1 162 162 CYS H H 451 7.880 7.880 8.406 -0.526 18097 3204 1 5 . 1 1 163 163 THR N N 452 106.985 106.985 110.579 -3.594 18097 3205 1 5 . 1 1 163 163 THR C C 452 173.335 173.335 173.232 0.103 18097 3206 1 5 . 1 1 163 163 THR CA C 452 58.727 58.727 60.343 -1.616 18097 3207 1 5 . 1 1 163 163 THR H H 452 7.623 7.623 7.492 0.131 18097 3208 1 5 . 1 1 164 164 VAL N N 453 119.085 119.085 125.141 -6.056 18097 3209 1 5 . 1 1 164 164 VAL C C 453 174.741 174.741 175.126 -0.385 18097 3210 1 5 . 1 1 164 164 VAL CA C 453 61.756 61.756 61.310 0.446 18097 3211 1 5 . 1 1 164 164 VAL H H 453 7.900 7.900 8.564 -0.664 18097 3212 1 5 . 1 1 165 165 SER N N 454 121.792 121.792 122.779 -0.987 18097 3213 1 5 . 1 1 165 165 SER C C 454 170.888 170.888 173.006 -2.118 18097 3214 1 5 . 1 1 165 165 SER CA C 454 57.482 57.482 57.251 0.231 18097 3215 1 5 . 1 1 165 165 SER H H 454 9.034 9.034 8.863 0.171 18097 3216 1 5 . 1 1 166 166 PHE N N 455 117.889 117.889 120.625 -2.736 18097 3217 1 5 . 1 1 166 166 PHE C C 455 175.064 175.064 174.445 0.619 18097 3218 1 5 . 1 1 166 166 PHE CA C 455 55.361 55.361 56.281 -0.920 18097 3219 1 5 . 1 1 166 166 PHE H H 455 8.076 8.076 8.825 -0.749 18097 3220 1 5 . 1 1 167 167 PHE N N 456 121.297 121.297 121.447 -0.150 18097 3221 1 5 . 1 1 167 167 PHE C C 456 175.018 175.018 175.416 -0.398 18097 3222 1 5 . 1 1 167 167 PHE CA C 456 56.808 56.808 56.471 0.337 18097 3223 1 5 . 1 1 167 167 PHE H H 456 10.023 10.023 9.320 0.703 18097 3224 1 5 . 1 1 168 168 ASN N N 457 120.535 120.535 122.441 -1.906 18097 3225 1 5 . 1 1 168 168 ASN HA H 457 4.591 4.591 5.113 -0.522 18097 3226 1 5 . 1 1 168 168 ASN C C 457 175.157 175.157 176.053 -0.896 18097 3227 1 5 . 1 1 168 168 ASN CA C 457 51.659 51.659 50.590 1.069 18097 3228 1 5 . 1 1 168 168 ASN H H 457 9.646 9.646 8.920 0.726 18097 3229 1 5 . 1 1 169 169 ILE N N 458 124.615 124.615 124.272 0.343 18097 3230 1 5 . 1 1 169 169 ILE C C 458 176.548 176.548 177.448 -0.900 18097 3231 1 5 . 1 1 169 169 ILE CA C 458 62.698 62.698 63.747 -1.049 18097 3232 1 5 . 1 1 169 169 ILE H H 458 7.792 7.792 8.016 -0.224 18097 3233 1 5 . 1 1 170 170 THR N N 459 114.704 114.704 112.507 2.197 18097 3234 1 5 . 1 1 170 170 THR HA H 459 4.004 4.004 4.055 -0.051 18097 3235 1 5 . 1 1 170 170 THR C C 459 173.719 173.719 175.070 -1.351 18097 3236 1 5 . 1 1 170 170 THR CA C 459 64.549 64.549 65.351 -0.802 18097 3237 1 5 . 1 1 170 170 THR H H 459 7.382 7.382 7.772 -0.390 18097 3238 1 5 . 1 1 171 171 ASN N N 460 119.172 119.172 118.851 0.321 18097 3239 1 5 . 1 1 171 171 ASN HA H 460 4.770 4.770 4.911 -0.141 18097 3240 1 5 . 1 1 171 171 ASN C C 460 173.835 173.835 174.250 -0.415 18097 3241 1 5 . 1 1 171 171 ASN CA C 460 49.674 49.674 51.119 -1.445 18097 3242 1 5 . 1 1 171 171 ASN H H 460 7.079 7.079 8.506 -1.427 18097 3243 1 5 . 1 1 172 172 HIS N N 461 111.334 111.334 116.901 -5.567 18097 3244 1 5 . 1 1 172 172 HIS HA H 461 3.942 3.942 4.040 -0.098 18097 3245 1 5 . 1 1 172 172 HIS C C 461 174.114 174.114 174.897 -0.783 18097 3246 1 5 . 1 1 172 172 HIS CA C 461 57.313 57.313 57.718 -0.405 18097 3247 1 5 . 1 1 172 172 HIS H H 461 7.350 7.350 7.785 -0.435 18097 3248 1 5 . 1 1 173 173 GLY N N 462 105.400 105.400 105.769 -0.369 18097 3249 1 5 . 1 1 173 173 GLY C C 462 173.603 173.603 174.463 -0.860 18097 3250 1 5 . 1 1 173 173 GLY CA C 462 47.486 47.486 45.532 1.954 18097 3251 1 5 . 1 1 173 173 GLY H H 462 7.818 7.818 7.913 -0.095 18097 3252 1 5 . 1 1 174 174 PHE N N 463 120.249 120.249 118.829 1.420 18097 3253 1 5 . 1 1 174 174 PHE HA H 463 4.423 4.423 4.538 -0.115 18097 3254 1 5 . 1 1 174 174 PHE C C 463 176.502 176.502 176.444 0.058 18097 3255 1 5 . 1 1 174 174 PHE CA C 463 57.549 57.549 57.927 -0.378 18097 3256 1 5 . 1 1 174 174 PHE H H 463 7.626 7.626 8.077 -0.451 18097 3257 1 5 . 1 1 175 175 LEU N N 464 125.969 125.969 125.285 0.684 18097 3258 1 5 . 1 1 175 175 LEU C C 464 176.780 176.780 176.301 0.479 18097 3259 1 5 . 1 1 175 175 LEU CA C 464 56.068 56.068 56.139 -0.071 18097 3260 1 5 . 1 1 175 175 LEU H H 464 8.561 8.561 8.683 -0.122 18097 3261 1 5 . 1 1 176 176 ILE N N 465 126.876 126.876 126.628 0.248 18097 3262 1 5 . 1 1 176 176 ILE C C 465 175.528 175.528 175.253 0.275 18097 3263 1 5 . 1 1 176 176 ILE CA C 465 63.169 63.169 63.641 -0.472 18097 3264 1 5 . 1 1 176 176 ILE H H 465 9.330 9.330 8.961 0.369 18097 3265 1 5 . 1 1 177 177 TYR N N 466 115.047 115.047 117.722 -2.675 18097 3266 1 5 . 1 1 177 177 TYR HA H 466 4.068 4.068 4.631 -0.563 18097 3267 1 5 . 1 1 177 177 TYR C C 466 171.006 171.006 172.738 -1.732 18097 3268 1 5 . 1 1 177 177 TYR CA C 466 59.097 59.097 57.181 1.916 18097 3269 1 5 . 1 1 177 177 TYR H H 466 7.212 7.212 7.532 -0.320 18097 3270 1 5 . 1 1 178 178 LYS N N 467 127.911 127.911 124.135 3.776 18097 3271 1 5 . 1 1 178 178 LYS C C 467 175.273 175.273 174.379 0.894 18097 3272 1 5 . 1 1 178 178 LYS CA C 467 54.520 54.520 55.275 -0.755 18097 3273 1 5 . 1 1 178 178 LYS H H 467 6.811 6.811 7.072 -0.261 18097 3274 1 5 . 1 1 179 179 PHE N N 468 126.383 126.383 126.883 -0.500 18097 3275 1 5 . 1 1 179 179 PHE HA H 468 4.632 4.632 4.713 -0.081 18097 3276 1 5 . 1 1 179 179 PHE C C 468 175.336 175.336 174.595 0.741 18097 3277 1 5 . 1 1 179 179 PHE CA C 468 58.289 58.289 58.651 -0.361 18097 3278 1 5 . 1 1 179 179 PHE H H 468 9.651 9.651 9.472 0.179 18097 3279 1 5 . 1 1 180 180 SER N N 469 115.506 115.506 116.651 -1.145 18097 3280 1 5 . 1 1 180 180 SER HA H 469 4.837 4.837 4.786 0.051 18097 3281 1 5 . 1 1 180 180 SER C C 469 172.861 172.861 174.403 -1.542 18097 3282 1 5 . 1 1 180 180 SER CA C 469 56.707 56.707 57.539 -0.832 18097 3283 1 5 . 1 1 180 180 SER H H 469 8.485 8.485 8.573 -0.088 18097 3284 1 5 . 1 1 181 181 GLN N N 470 117.133 117.133 118.382 -1.249 18097 3285 1 5 . 1 1 181 181 GLN HA H 470 3.629 3.629 3.803 -0.174 18097 3286 1 5 . 1 1 181 181 GLN C C 470 176.015 176.015 174.663 1.352 18097 3287 1 5 . 1 1 181 181 GLN CA C 470 56.472 56.472 56.823 -0.351 18097 3288 1 5 . 1 1 181 181 GLN H H 470 9.298 9.298 8.554 0.744 18097 3289 1 5 . 1 1 182 182 CYS N N 471 116.032 116.032 118.369 -2.337 18097 3290 1 5 . 1 1 182 182 CYS C C 471 175.899 175.899 175.464 0.435 18097 3291 1 5 . 1 1 182 182 CYS CA C 471 60.039 60.039 58.602 1.437 18097 3292 1 5 . 1 1 182 182 CYS H H 471 7.876 7.876 7.571 0.305 18097 3293 1 5 . 1 1 183 183 SER N N 472 118.074 118.074 120.454 -2.380 18097 3294 1 5 . 1 1 183 183 SER HA H 472 4.194 4.194 4.426 -0.232 18097 3295 1 5 . 1 1 183 183 SER C C 472 174.392 174.392 173.748 0.644 18097 3296 1 5 . 1 1 183 183 SER CA C 472 56.337 56.337 58.644 -2.307 18097 3297 1 5 . 1 1 183 183 SER H H 472 8.561 8.561 9.014 -0.453 18097 3298 1 5 . 1 1 184 184 PHE N N 473 125.605 125.605 126.334 -0.729 18097 3299 1 5 . 1 1 184 184 PHE HA H 473 4.825 4.825 4.565 0.260 18097 3300 1 5 . 1 1 184 184 PHE C C 473 175.157 175.157 175.749 -0.592 18097 3301 1 5 . 1 1 184 184 PHE CA C 473 52.534 52.534 54.874 -2.340 18097 3302 1 5 . 1 1 184 184 PHE H H 473 7.275 7.275 7.987 -0.712 18097 3303 1 5 . 1 1 188 188 VAL N N 477 111.123 111.123 118.935 -7.812 18097 3304 1 5 . 1 1 188 188 VAL C C 477 173.279 173.279 174.062 -0.783 18097 3305 1 5 . 1 1 188 188 VAL CA C 477 58.626 58.626 60.187 -1.561 18097 3306 1 5 . 1 1 188 188 VAL H H 477 7.959 7.959 7.796 0.163 18097 3307 1 5 . 1 1 189 189 PHE N N 478 114.592 114.592 118.699 -4.107 18097 3308 1 5 . 1 1 189 189 PHE CA C 478 54.957 54.957 54.342 0.615 18097 3309 1 5 . 1 1 189 189 PHE H H 478 8.774 8.774 9.574 -0.800 18097 3310 1 5 . 1 1 191 191 TYR N N 480 121.836 121.836 126.461 -4.625 18097 3311 1 5 . 1 1 191 191 TYR HA H 480 5.142 5.142 5.112 0.030 18097 3312 1 5 . 1 1 191 191 TYR C C 480 174.693 174.693 174.437 0.256 18097 3313 1 5 . 1 1 191 191 TYR CA C 480 57.078 57.078 57.164 -0.086 18097 3314 1 5 . 1 1 191 191 TYR H H 480 8.356 8.356 8.340 0.016 18097 3315 1 5 . 1 1 192 192 LEU N N 481 129.065 129.065 127.408 1.657 18097 3316 1 5 . 1 1 192 192 LEU HA H 481 4.605 4.605 4.836 -0.231 18097 3317 1 5 . 1 1 192 192 LEU C C 481 174.137 174.137 174.505 -0.368 18097 3318 1 5 . 1 1 192 192 LEU CA C 481 55.563 55.563 54.136 1.427 18097 3319 1 5 . 1 1 192 192 LEU H H 481 8.261 8.261 7.892 0.369 18097 3320 1 5 . 1 1 193 193 ASN N N 482 114.217 114.217 119.254 -5.037 18097 3321 1 5 . 1 1 193 193 ASN CA C 482 49.505 49.505 50.538 -1.033 18097 3322 1 5 . 1 1 193 193 ASN H H 482 8.007 8.007 8.125 -0.118 18097 3323 1 5 . 1 1 198 198 THR N N 487 121.563 121.563 122.142 -0.579 18097 3324 1 5 . 1 1 198 198 THR HA H 487 4.044 4.044 4.156 -0.112 18097 3325 1 5 . 1 1 198 198 THR C C 487 174.206 174.206 174.416 -0.210 18097 3326 1 5 . 1 1 198 198 THR CA C 487 63.203 63.203 63.337 -0.134 18097 3327 1 5 . 1 1 198 198 THR H H 487 8.265 8.265 8.422 -0.157 18097 3328 1 5 . 1 1 199 199 VAL N N 488 129.507 129.507 126.076 3.431 18097 3329 1 5 . 1 1 199 199 VAL C C 488 174.832 174.832 174.331 0.501 18097 3330 1 5 . 1 1 199 199 VAL CA C 488 61.419 61.419 59.930 1.489 18097 3331 1 5 . 1 1 199 199 VAL H H 488 8.737 8.737 7.516 1.221 18097 3332 1 5 . 1 1 201 201 MET N N 490 116.897 116.897 123.200 -6.303 18097 3333 1 5 . 1 1 201 201 MET HA H 490 5.073 5.073 5.204 -0.131 18097 3334 1 5 . 1 1 201 201 MET C C 490 175.180 175.180 175.338 -0.158 18097 3335 1 5 . 1 1 201 201 MET CA C 490 53.712 53.712 54.413 -0.701 18097 3336 1 5 . 1 1 201 201 MET H H 490 8.545 8.545 8.630 -0.085 18097 3337 1 5 . 1 1 202 202 THR N N 491 117.791 117.791 119.604 -1.813 18097 3338 1 5 . 1 1 202 202 THR HA H 491 4.977 4.977 5.007 -0.030 18097 3339 1 5 . 1 1 202 202 THR C C 491 173.981 173.981 174.074 -0.093 18097 3340 1 5 . 1 1 202 202 THR CA C 491 62.058 62.058 61.548 0.510 18097 3341 1 5 . 1 1 202 202 THR H H 491 8.312 8.312 8.231 0.081 18097 3342 1 5 . 1 1 203 203 LEU N N 492 129.237 129.237 122.974 6.263 18097 3343 1 5 . 1 1 203 203 LEU HA H 492 4.756 4.756 5.182 -0.426 18097 3344 1 5 . 1 1 203 203 LEU C C 492 176.131 176.131 177.108 -0.977 18097 3345 1 5 . 1 1 203 203 LEU CA C 492 55.294 55.294 53.569 1.725 18097 3346 1 5 . 1 1 203 203 LEU H H 492 9.048 9.048 8.316 0.732 18097 3347 1 5 . 1 1 204 204 CYS N N 493 122.012 122.012 121.840 0.172 18097 3348 1 5 . 1 1 204 204 CYS HA H 493 4.577 4.577 4.003 0.574 18097 3349 1 5 . 1 1 204 204 CYS C C 493 174.531 174.531 174.064 0.467 18097 3350 1 5 . 1 1 204 204 CYS CA C 493 58.188 58.188 62.171 -3.983 18097 3351 1 5 . 1 1 204 204 CYS H H 493 8.609 8.609 8.854 -0.245 18097 3352 1 5 . 1 1 205 205 SER N N 494 120.249 120.249 111.496 8.753 18097 3353 1 5 . 1 1 205 205 SER C C 494 171.632 171.632 171.841 -0.209 18097 3354 1 5 . 1 1 205 205 SER CA C 494 56.909 56.909 58.209 -1.300 18097 3355 1 5 . 1 1 205 205 SER H H 494 8.665 8.665 8.411 0.254 18097 3356 1 6 . 1 1 3 3 GLU N N 292 122.345 122.345 122.516 -0.171 18097 3357 1 6 . 1 1 3 3 GLU HA H 292 3.992 3.992 3.989 0.003 18097 3358 1 6 . 1 1 3 3 GLU C C 292 178.218 178.218 177.461 0.757 18097 3359 1 6 . 1 1 3 3 GLU CA C 292 58.828 58.828 59.492 -0.664 18097 3360 1 6 . 1 1 3 3 GLU H H 292 8.831 8.831 8.576 0.255 18097 3361 1 6 . 1 1 4 4 LEU N N 293 121.001 121.001 118.239 2.762 18097 3362 1 6 . 1 1 4 4 LEU C C 293 177.175 177.175 177.611 -0.436 18097 3363 1 6 . 1 1 4 4 LEU CA C 293 57.044 57.044 57.156 -0.112 18097 3364 1 6 . 1 1 4 4 LEU H H 293 7.976 7.976 7.925 0.051 18097 3365 1 6 . 1 1 5 5 THR N N 294 113.069 113.069 114.366 -1.297 18097 3366 1 6 . 1 1 5 5 THR HA H 294 3.916 3.916 3.716 0.200 18097 3367 1 6 . 1 1 5 5 THR C C 294 176.200 176.200 175.378 0.822 18097 3368 1 6 . 1 1 5 5 THR CA C 294 66.164 66.164 66.531 -0.367 18097 3369 1 6 . 1 1 5 5 THR H H 294 7.535 7.535 7.471 0.064 18097 3370 1 6 . 1 1 6 6 ASP N N 295 119.926 119.926 119.984 -0.058 18097 3371 1 6 . 1 1 6 6 ASP HA H 295 4.085 4.085 4.354 -0.269 18097 3372 1 6 . 1 1 6 6 ASP C C 295 177.314 177.314 178.109 -0.795 18097 3373 1 6 . 1 1 6 6 ASP CA C 295 56.808 56.808 56.429 0.379 18097 3374 1 6 . 1 1 6 6 ASP H H 295 7.530 7.530 7.995 -0.465 18097 3375 1 6 . 1 1 7 7 ALA N N 296 121.726 121.726 122.357 -0.631 18097 3376 1 6 . 1 1 7 7 ALA HA H 296 4.109 4.109 3.447 0.662 18097 3377 1 6 . 1 1 7 7 ALA C C 296 178.659 178.659 179.116 -0.457 18097 3378 1 6 . 1 1 7 7 ALA CA C 296 54.655 54.655 53.858 0.796 18097 3379 1 6 . 1 1 7 7 ALA H H 296 7.227 7.227 6.991 0.236 18097 3380 1 6 . 1 1 8 8 ARG N N 297 112.468 112.468 116.476 -4.008 18097 3381 1 6 . 1 1 8 8 ARG C C 297 178.033 178.033 177.955 0.078 18097 3382 1 6 . 1 1 8 8 ARG CA C 297 58.424 58.424 57.880 0.544 18097 3383 1 6 . 1 1 8 8 ARG H H 297 7.370 7.370 7.326 0.044 18097 3384 1 6 . 1 1 9 9 ARG N N 298 118.926 118.926 118.557 0.369 18097 3385 1 6 . 1 1 9 9 ARG HA H 298 3.832 3.832 3.907 -0.075 18097 3386 1 6 . 1 1 9 9 ARG C C 298 176.827 176.827 176.933 -0.106 18097 3387 1 6 . 1 1 9 9 ARG CA C 298 58.289 58.289 58.182 0.107 18097 3388 1 6 . 1 1 9 9 ARG H H 298 7.059 7.059 7.103 -0.044 18097 3389 1 6 . 1 1 10 10 TYR N N 299 118.201 118.201 116.187 2.014 18097 3390 1 6 . 1 1 10 10 TYR HA H 299 4.853 4.853 4.740 0.113 18097 3391 1 6 . 1 1 10 10 TYR C C 299 174.832 174.832 174.363 0.469 18097 3392 1 6 . 1 1 10 10 TYR CA C 299 56.943 56.943 56.130 0.813 18097 3393 1 6 . 1 1 10 10 TYR H H 299 7.800 7.800 7.439 0.361 18097 3394 1 6 . 1 1 11 11 TRP N N 300 123.427 123.427 123.290 0.137 18097 3395 1 6 . 1 1 11 11 TRP HA H 300 4.577 4.577 5.332 -0.755 18097 3396 1 6 . 1 1 11 11 TRP C C 300 177.082 177.082 176.591 0.491 18097 3397 1 6 . 1 1 11 11 TRP CA C 300 58.558 58.558 58.471 0.087 18097 3398 1 6 . 1 1 11 11 TRP H H 300 7.122 7.122 7.684 -0.562 18097 3399 1 6 . 1 1 13 13 ASP N N 302 122.160 122.160 123.339 -1.179 18097 3400 1 6 . 1 1 13 13 ASP HA H 302 4.605 4.605 4.717 -0.112 18097 3401 1 6 . 1 1 13 13 ASP C C 302 174.786 174.786 175.810 -1.024 18097 3402 1 6 . 1 1 13 13 ASP CA C 302 53.005 53.005 54.138 -1.133 18097 3403 1 6 . 1 1 13 13 ASP H H 302 8.496 8.496 8.605 -0.109 18097 3404 1 6 . 1 1 14 14 VAL N N 303 126.934 126.934 126.821 0.113 18097 3405 1 6 . 1 1 14 14 VAL HA H 303 4.096 4.096 4.183 -0.087 18097 3406 1 6 . 1 1 14 14 VAL C C 303 174.670 174.670 175.623 -0.953 18097 3407 1 6 . 1 1 14 14 VAL CA C 303 62.429 62.429 61.449 0.980 18097 3408 1 6 . 1 1 14 14 VAL H H 303 7.877 7.877 8.092 -0.215 18097 3409 1 6 . 1 1 15 15 THR N N 304 114.829 114.829 119.534 -4.705 18097 3410 1 6 . 1 1 15 15 THR HA H 304 4.536 4.536 4.720 -0.184 18097 3411 1 6 . 1 1 15 15 THR C C 304 173.951 173.951 174.098 -0.147 18097 3412 1 6 . 1 1 15 15 THR CA C 304 58.592 58.592 60.328 -1.736 18097 3413 1 6 . 1 1 15 15 THR H H 304 8.321 8.321 8.282 0.039 18097 3414 1 6 . 1 1 16 16 LEU N N 305 121.392 121.392 125.007 -3.615 18097 3415 1 6 . 1 1 16 16 LEU HA H 305 4.322 4.322 4.502 -0.180 18097 3416 1 6 . 1 1 16 16 LEU C C 305 175.876 175.876 176.888 -1.012 18097 3417 1 6 . 1 1 16 16 LEU CA C 305 54.526 54.526 54.815 -0.289 18097 3418 1 6 . 1 1 16 16 LEU H H 305 8.967 8.967 8.512 0.455 18097 3419 1 6 . 1 1 17 17 ALA N N 306 124.039 124.039 126.099 -2.060 18097 3420 1 6 . 1 1 17 17 ALA HA H 306 4.385 4.385 4.745 -0.360 18097 3421 1 6 . 1 1 17 17 ALA C C 306 177.360 177.360 176.875 0.485 18097 3422 1 6 . 1 1 17 17 ALA CA C 306 50.515 50.515 50.686 -0.171 18097 3423 1 6 . 1 1 17 17 ALA H H 306 8.409 8.409 8.285 0.124 18097 3424 1 6 . 1 1 18 18 THR N N 307 114.041 114.041 115.615 -1.574 18097 3425 1 6 . 1 1 18 18 THR HA H 307 4.398 4.398 4.292 0.106 18097 3426 1 6 . 1 1 18 18 THR C C 307 174.206 174.206 173.715 0.491 18097 3427 1 6 . 1 1 18 18 THR CA C 307 61.722 61.722 62.405 -0.683 18097 3428 1 6 . 1 1 18 18 THR H H 307 8.146 8.146 8.371 -0.225 18097 3429 1 6 . 1 1 19 19 ASN N N 308 119.841 119.841 125.367 -5.526 18097 3430 1 6 . 1 1 19 19 ASN HA H 308 4.687 4.687 4.762 -0.075 18097 3431 1 6 . 1 1 19 19 ASN C C 308 174.577 174.577 174.216 0.361 18097 3432 1 6 . 1 1 19 19 ASN CA C 308 52.871 52.871 52.138 0.733 18097 3433 1 6 . 1 1 19 19 ASN H H 308 8.470 8.470 8.497 -0.027 18097 3434 1 6 . 1 1 38 38 PRO HA H 327 4.207 4.207 4.209 -0.002 18097 3435 1 6 . 1 1 38 38 PRO C C 327 176.641 176.641 177.493 -0.852 18097 3436 1 6 . 1 1 38 38 PRO CA C 327 63.443 63.443 63.329 0.114 18097 3437 1 6 . 1 1 38 38 PRO CB C 327 31.714 31.714 32.134 -0.420 18097 3438 1 6 . 1 1 39 39 GLN N N 328 118.424 118.424 116.864 1.560 18097 3439 1 6 . 1 1 39 39 GLN HA H 328 4.111 4.111 4.156 -0.045 18097 3440 1 6 . 1 1 39 39 GLN C C 328 175.853 175.853 176.447 -0.594 18097 3441 1 6 . 1 1 39 39 GLN CA C 328 56.136 56.136 57.898 -1.762 18097 3442 1 6 . 1 1 39 39 GLN CB C 328 28.981 28.981 29.463 -0.482 18097 3443 1 6 . 1 1 39 39 GLN H H 328 8.139 8.139 8.548 -0.409 18097 3444 1 6 . 1 1 40 40 ILE N N 329 119.966 119.966 112.184 7.782 18097 3445 1 6 . 1 1 40 40 ILE HA H 329 3.998 3.998 4.118 -0.120 18097 3446 1 6 . 1 1 40 40 ILE C C 329 175.690 175.690 174.052 1.638 18097 3447 1 6 . 1 1 40 40 ILE CA C 329 60.601 60.601 61.511 -0.910 18097 3448 1 6 . 1 1 40 40 ILE CB C 329 38.274 38.274 37.648 0.626 18097 3449 1 6 . 1 1 40 40 ILE H H 329 7.688 7.688 7.596 0.092 18097 3450 1 6 . 1 1 41 41 MET N N 330 123.189 123.189 118.892 4.297 18097 3451 1 6 . 1 1 41 41 MET HA H 330 4.286 4.286 4.170 0.116 18097 3452 1 6 . 1 1 41 41 MET C C 330 175.389 175.389 174.964 0.425 18097 3453 1 6 . 1 1 41 41 MET CA C 330 55.046 55.046 56.792 -1.746 18097 3454 1 6 . 1 1 41 41 MET CB C 330 32.499 32.499 30.663 1.836 18097 3455 1 6 . 1 1 41 41 MET H H 330 8.044 8.044 8.039 0.005 18097 3456 1 6 . 1 1 42 42 TYR N N 331 121.297 121.297 116.014 5.283 18097 3457 1 6 . 1 1 42 42 TYR HA H 331 4.398 4.398 4.096 0.302 18097 3458 1 6 . 1 1 42 42 TYR C C 331 174.879 174.879 175.267 -0.388 18097 3459 1 6 . 1 1 42 42 TYR CA C 331 57.599 57.599 59.432 -1.833 18097 3460 1 6 . 1 1 42 42 TYR CB C 331 38.825 38.825 36.758 2.067 18097 3461 1 6 . 1 1 42 42 TYR H H 331 8.024 8.024 8.298 -0.274 18097 3462 1 6 . 1 1 43 43 GLN N N 332 122.431 122.431 116.411 6.020 18097 3463 1 6 . 1 1 43 43 GLN HA H 332 4.148 4.148 4.389 -0.241 18097 3464 1 6 . 1 1 43 43 GLN C C 332 174.345 174.345 175.321 -0.976 18097 3465 1 6 . 1 1 43 43 GLN CA C 332 54.714 54.714 55.381 -0.667 18097 3466 1 6 . 1 1 43 43 GLN CB C 332 29.741 29.741 30.130 -0.389 18097 3467 1 6 . 1 1 43 43 GLN H H 332 7.894 7.894 7.484 0.410 18097 3468 1 6 . 1 1 44 44 ALA N N 333 126.670 126.670 125.513 1.157 18097 3469 1 6 . 1 1 44 44 ALA HA H 333 4.367 4.367 4.095 0.272 18097 3470 1 6 . 1 1 44 44 ALA C C 333 175.459 175.459 175.572 -0.113 18097 3471 1 6 . 1 1 44 44 ALA CA C 333 50.358 50.358 52.171 -1.813 18097 3472 1 6 . 1 1 44 44 ALA CB C 333 17.603 17.603 18.299 -0.696 18097 3473 1 6 . 1 1 44 44 ALA H H 333 8.141 8.141 7.531 0.610 18097 3474 1 6 . 1 1 45 45 PRO HA H 334 4.273 4.273 4.292 -0.019 18097 3475 1 6 . 1 1 45 45 PRO CA C 334 63.318 63.318 63.109 0.209 18097 3476 1 6 . 1 1 45 45 PRO CB C 334 31.697 31.697 31.799 -0.102 18097 3477 1 6 . 1 1 46 46 GLY N N 335 109.630 109.630 107.193 2.437 18097 3478 1 6 . 1 1 46 46 GLY C C 335 174.322 174.322 174.307 0.015 18097 3479 1 6 . 1 1 46 46 GLY CA C 335 45.255 45.255 45.056 0.199 18097 3480 1 6 . 1 1 46 46 GLY H H 335 8.478 8.478 8.197 0.281 18097 3481 1 6 . 1 1 47 47 THR N N 336 113.015 113.015 118.520 -5.505 18097 3482 1 6 . 1 1 47 47 THR HA H 336 4.210 4.210 4.672 -0.462 18097 3483 1 6 . 1 1 47 47 THR C C 336 174.067 174.067 174.317 -0.250 18097 3484 1 6 . 1 1 47 47 THR CA C 336 61.547 61.547 61.362 0.185 18097 3485 1 6 . 1 1 47 47 THR CB C 336 69.516 69.516 68.850 0.666 18097 3486 1 6 . 1 1 47 47 THR H H 336 7.734 7.734 8.217 -0.483 18097 3487 1 6 . 1 1 48 48 LEU N N 337 123.635 123.635 119.302 4.333 18097 3488 1 6 . 1 1 48 48 LEU HA H 337 4.152 4.152 3.580 0.572 18097 3489 1 6 . 1 1 48 48 LEU C C 337 176.618 176.618 177.571 -0.953 18097 3490 1 6 . 1 1 48 48 LEU CA C 337 55.025 55.025 57.587 -2.562 18097 3491 1 6 . 1 1 48 48 LEU CB C 337 42.098 42.098 39.214 2.884 18097 3492 1 6 . 1 1 48 48 LEU H H 337 8.087 8.087 7.806 0.281 18097 3493 1 6 . 1 1 49 49 PHE N N 338 120.255 120.255 118.073 2.182 18097 3494 1 6 . 1 1 49 49 PHE HA H 338 4.496 4.496 4.078 0.418 18097 3495 1 6 . 1 1 49 49 PHE C C 338 175.227 175.227 176.889 -1.662 18097 3496 1 6 . 1 1 49 49 PHE CA C 338 57.234 57.234 59.994 -2.760 18097 3497 1 6 . 1 1 49 49 PHE CB C 338 39.290 39.290 38.798 0.492 18097 3498 1 6 . 1 1 49 49 PHE H H 338 8.017 8.017 7.205 0.812 18097 3499 1 6 . 1 1 50 50 THR N N 339 115.141 115.141 112.976 2.165 18097 3500 1 6 . 1 1 50 50 THR HA H 339 4.137 4.137 4.124 0.013 18097 3501 1 6 . 1 1 50 50 THR C C 339 173.255 173.255 174.689 -1.434 18097 3502 1 6 . 1 1 50 50 THR CA C 339 61.244 61.244 64.438 -3.194 18097 3503 1 6 . 1 1 50 50 THR CB C 339 69.643 69.643 68.139 1.504 18097 3504 1 6 . 1 1 50 50 THR H H 339 7.741 7.741 8.185 -0.444 18097 3505 1 6 . 1 1 51 51 PHE N N 340 122.603 122.603 113.550 9.053 18097 3506 1 6 . 1 1 51 51 PHE HA H 340 4.571 4.571 4.763 -0.192 18097 3507 1 6 . 1 1 51 51 PHE C C 340 173.858 173.858 172.632 1.226 18097 3508 1 6 . 1 1 51 51 PHE CA C 340 56.874 56.874 55.011 1.863 18097 3509 1 6 . 1 1 51 51 PHE CB C 340 39.250 39.250 37.634 1.616 18097 3510 1 6 . 1 1 51 51 PHE H H 340 7.996 7.996 7.289 0.707 18097 3511 1 6 . 1 1 52 52 PRO HA H 341 4.278 4.278 4.080 0.198 18097 3512 1 6 . 1 1 52 52 PRO CA C 341 63.297 63.297 63.638 -0.341 18097 3513 1 6 . 1 1 52 52 PRO CB C 341 31.190 31.190 30.498 0.692 18097 3514 1 6 . 1 1 53 53 SER N N 342 114.918 114.918 116.943 -2.025 18097 3515 1 6 . 1 1 53 53 SER HA H 342 4.334 4.334 4.328 0.006 18097 3516 1 6 . 1 1 53 53 SER C C 342 174.508 174.508 175.772 -1.264 18097 3517 1 6 . 1 1 53 53 SER CA C 342 58.019 58.019 60.483 -2.464 18097 3518 1 6 . 1 1 53 53 SER CB C 342 63.587 63.587 63.050 0.537 18097 3519 1 6 . 1 1 53 53 SER H H 342 8.119 8.119 8.155 -0.036 18097 3520 1 6 . 1 1 54 54 LEU N N 343 123.426 123.426 115.694 7.732 18097 3521 1 6 . 1 1 54 54 LEU HA H 343 4.307 4.307 4.148 0.159 18097 3522 1 6 . 1 1 54 54 LEU C C 343 177.314 177.314 177.692 -0.378 18097 3523 1 6 . 1 1 54 54 LEU CA C 343 55.224 55.224 56.720 -1.496 18097 3524 1 6 . 1 1 54 54 LEU CB C 343 41.934 41.934 41.445 0.489 18097 3525 1 6 . 1 1 54 54 LEU H H 343 8.180 8.180 7.764 0.416 18097 3526 1 6 . 1 1 55 55 THR N N 344 112.921 112.921 111.132 1.789 18097 3527 1 6 . 1 1 55 55 THR HA H 344 4.144 4.144 4.374 -0.230 18097 3528 1 6 . 1 1 55 55 THR C C 344 173.928 173.928 174.767 -0.839 18097 3529 1 6 . 1 1 55 55 THR CA C 344 61.565 61.565 62.770 -1.205 18097 3530 1 6 . 1 1 55 55 THR CB C 344 69.396 69.396 70.010 -0.614 18097 3531 1 6 . 1 1 55 55 THR H H 344 7.911 7.911 7.697 0.214 18097 3532 1 6 . 1 1 56 56 ASN N N 345 119.978 119.978 120.083 -0.105 18097 3533 1 6 . 1 1 56 56 ASN HA H 345 4.482 4.482 4.418 0.064 18097 3534 1 6 . 1 1 56 56 ASN C C 345 174.137 174.137 176.464 -2.327 18097 3535 1 6 . 1 1 56 56 ASN CA C 345 52.938 52.938 56.082 -3.144 18097 3536 1 6 . 1 1 56 56 ASN CB C 345 38.110 38.110 38.367 -0.257 18097 3537 1 6 . 1 1 56 56 ASN H H 345 8.097 8.097 8.614 -0.517 18097 3538 1 6 . 1 1 57 57 PHE N N 346 120.030 120.030 119.558 0.472 18097 3539 1 6 . 1 1 57 57 PHE HA H 346 4.482 4.482 4.068 0.414 18097 3540 1 6 . 1 1 57 57 PHE C C 346 174.693 174.693 175.807 -1.114 18097 3541 1 6 . 1 1 57 57 PHE CA C 346 57.381 57.381 60.569 -3.188 18097 3542 1 6 . 1 1 57 57 PHE CB C 346 39.313 39.313 38.622 0.691 18097 3543 1 6 . 1 1 57 57 PHE H H 346 7.919 7.919 8.730 -0.811 18097 3544 1 6 . 1 1 58 58 ASN N N 347 125.759 125.759 116.147 9.612 18097 3545 1 6 . 1 1 58 58 ASN CA C 347 57.145 57.145 54.707 2.438 18097 3546 1 6 . 1 1 58 58 ASN H H 347 7.656 7.656 7.841 -0.185 18097 3547 1 6 . 1 1 64 64 LEU N N 353 120.532 120.532 120.801 -0.269 18097 3548 1 6 . 1 1 64 64 LEU HA H 353 4.398 4.398 5.336 -0.938 18097 3549 1 6 . 1 1 64 64 LEU C C 353 178.380 178.380 177.090 1.290 18097 3550 1 6 . 1 1 64 64 LEU CA C 353 51.933 51.933 52.536 -0.603 18097 3551 1 6 . 1 1 64 64 LEU H H 353 8.518 8.518 8.768 -0.250 18097 3552 1 6 . 1 1 65 65 GLY N N 354 102.514 102.514 106.406 -3.892 18097 3553 1 6 . 1 1 65 65 GLY C C 354 172.884 172.884 174.435 -1.551 18097 3554 1 6 . 1 1 65 65 GLY CA C 354 44.491 44.491 44.635 -0.144 18097 3555 1 6 . 1 1 65 65 GLY H H 354 8.051 8.051 8.081 -0.030 18097 3556 1 6 . 1 1 66 66 SER N N 355 113.869 113.869 112.828 1.041 18097 3557 1 6 . 1 1 66 66 SER HA H 355 4.015 4.015 4.264 -0.249 18097 3558 1 6 . 1 1 66 66 SER C C 355 174.276 174.276 175.099 -0.823 18097 3559 1 6 . 1 1 66 66 SER CA C 355 59.770 59.770 59.555 0.215 18097 3560 1 6 . 1 1 66 66 SER H H 355 8.724 8.724 8.524 0.200 18097 3561 1 6 . 1 1 67 67 GLN N N 356 121.985 121.985 120.561 1.424 18097 3562 1 6 . 1 1 67 67 GLN HA H 356 4.474 4.474 4.644 -0.170 18097 3563 1 6 . 1 1 67 67 GLN C C 356 173.905 173.905 174.505 -0.600 18097 3564 1 6 . 1 1 67 67 GLN CA C 356 54.655 54.655 54.655 0.000 18097 3565 1 6 . 1 1 67 67 GLN H H 356 7.995 7.995 8.056 -0.061 18097 3566 1 6 . 1 1 68 68 SER N N 357 118.695 118.695 117.037 1.658 18097 3567 1 6 . 1 1 68 68 SER HA H 357 4.852 4.852 3.703 1.149 18097 3568 1 6 . 1 1 68 68 SER C C 357 173.835 173.835 173.977 -0.142 18097 3569 1 6 . 1 1 68 68 SER CA C 357 56.472 56.472 56.995 -0.523 18097 3570 1 6 . 1 1 68 68 SER H H 357 8.145 8.145 8.434 -0.289 18097 3571 1 6 . 1 1 69 69 ILE N N 358 123.370 123.370 121.993 1.377 18097 3572 1 6 . 1 1 69 69 ILE C C 358 175.018 175.018 174.884 0.134 18097 3573 1 6 . 1 1 69 69 ILE CA C 358 60.780 60.780 60.628 0.152 18097 3574 1 6 . 1 1 69 69 ILE H H 358 8.813 8.813 8.098 0.715 18097 3575 1 6 . 1 1 70 70 THR N N 359 113.324 113.324 115.699 -2.375 18097 3576 1 6 . 1 1 70 70 THR HA H 359 3.967 3.967 3.358 0.609 18097 3577 1 6 . 1 1 70 70 THR C C 359 172.026 172.026 173.107 -1.081 18097 3578 1 6 . 1 1 70 70 THR CA C 359 59.366 59.366 60.246 -0.880 18097 3579 1 6 . 1 1 70 70 THR H H 359 8.250 8.250 8.382 -0.132 18097 3580 1 6 . 1 1 71 71 SER N N 360 111.494 111.494 114.220 -2.726 18097 3581 1 6 . 1 1 71 71 SER HA H 360 4.085 4.085 4.443 -0.358 18097 3582 1 6 . 1 1 71 71 SER C C 360 173.835 173.835 173.294 0.541 18097 3583 1 6 . 1 1 71 71 SER CA C 360 57.818 57.818 58.342 -0.524 18097 3584 1 6 . 1 1 71 71 SER H H 360 6.964 6.964 6.966 -0.002 18097 3585 1 6 . 1 1 72 72 GLY N N 361 112.909 112.909 108.296 4.613 18097 3586 1 6 . 1 1 72 72 GLY C C 361 171.400 171.400 172.437 -1.037 18097 3587 1 6 . 1 1 72 72 GLY CA C 361 45.265 45.265 44.885 0.380 18097 3588 1 6 . 1 1 72 72 GLY H H 361 10.408 10.408 8.678 1.730 18097 3589 1 6 . 1 1 73 73 LYS N N 362 118.005 118.005 120.388 -2.383 18097 3590 1 6 . 1 1 73 73 LYS C C 362 175.366 175.366 175.565 -0.199 18097 3591 1 6 . 1 1 73 73 LYS CA C 362 54.621 54.621 55.290 -0.669 18097 3592 1 6 . 1 1 73 73 LYS H H 362 7.310 7.310 8.053 -0.743 18097 3593 1 6 . 1 1 74 74 HIS N N 363 118.405 118.405 119.363 -0.958 18097 3594 1 6 . 1 1 74 74 HIS HA H 363 4.880 4.880 5.386 -0.506 18097 3595 1 6 . 1 1 74 74 HIS C C 363 172.467 172.467 173.460 -0.993 18097 3596 1 6 . 1 1 74 74 HIS CA C 363 56.371 56.371 55.040 1.331 18097 3597 1 6 . 1 1 74 74 HIS H H 363 8.399 8.399 8.688 -0.289 18097 3598 1 6 . 1 1 75 75 TYR N N 364 125.182 125.182 124.078 1.104 18097 3599 1 6 . 1 1 75 75 TYR C C 364 172.852 172.852 172.978 -0.126 18097 3600 1 6 . 1 1 75 75 TYR CA C 364 55.361 55.361 56.276 -0.915 18097 3601 1 6 . 1 1 75 75 TYR H H 364 8.153 8.153 8.793 -0.640 18097 3602 1 6 . 1 1 76 76 TRP N N 365 123.210 123.210 124.042 -0.832 18097 3603 1 6 . 1 1 76 76 TRP C C 365 171.510 171.510 172.886 -1.376 18097 3604 1 6 . 1 1 76 76 TRP CA C 365 57.549 57.549 55.716 1.833 18097 3605 1 6 . 1 1 76 76 TRP H H 365 7.621 7.621 7.585 0.036 18097 3606 1 6 . 1 1 78 78 VAL N N 367 122.416 122.416 121.638 0.778 18097 3607 1 6 . 1 1 78 78 VAL HA H 367 4.756 4.756 4.763 -0.007 18097 3608 1 6 . 1 1 78 78 VAL C C 367 174.461 174.461 173.990 0.471 18097 3609 1 6 . 1 1 78 78 VAL CA C 367 60.208 60.208 60.683 -0.475 18097 3610 1 6 . 1 1 78 78 VAL H H 367 8.910 8.910 8.909 0.001 18097 3611 1 6 . 1 1 79 79 ASP N N 368 128.257 128.257 128.153 0.104 18097 3612 1 6 . 1 1 79 79 ASP C C 368 175.343 175.343 175.502 -0.159 18097 3613 1 6 . 1 1 79 79 ASP CA C 368 53.914 53.914 53.163 0.751 18097 3614 1 6 . 1 1 79 79 ASP H H 368 9.795 9.795 9.133 0.662 18097 3615 1 6 . 1 1 80 80 VAL N N 369 118.519 118.519 120.855 -2.336 18097 3616 1 6 . 1 1 80 80 VAL C C 369 176.131 176.131 175.257 0.874 18097 3617 1 6 . 1 1 80 80 VAL CA C 369 59.027 59.027 60.046 -1.019 18097 3618 1 6 . 1 1 80 80 VAL H H 369 8.394 8.394 7.733 0.661 18097 3619 1 6 . 1 1 81 81 SER N N 370 123.584 123.584 119.938 3.646 18097 3620 1 6 . 1 1 81 81 SER C C 370 174.829 174.829 174.849 -0.020 18097 3621 1 6 . 1 1 81 81 SER CA C 370 61.285 61.285 59.749 1.536 18097 3622 1 6 . 1 1 81 81 SER H H 370 8.754 8.754 8.460 0.294 18097 3623 1 6 . 1 1 82 82 LYS N N 371 115.025 115.025 120.247 -5.222 18097 3624 1 6 . 1 1 82 82 LYS C C 371 175.922 175.922 175.697 0.225 18097 3625 1 6 . 1 1 82 82 LYS CA C 371 58.222 58.222 57.765 0.457 18097 3626 1 6 . 1 1 82 82 LYS H H 371 8.789 8.789 8.940 -0.151 18097 3627 1 6 . 1 1 83 83 LYS N N 372 117.904 117.904 119.828 -1.924 18097 3628 1 6 . 1 1 83 83 LYS C C 372 177.824 177.824 177.471 0.353 18097 3629 1 6 . 1 1 83 83 LYS CA C 372 57.784 57.784 56.369 1.415 18097 3630 1 6 . 1 1 83 83 LYS H H 372 7.825 7.825 7.535 0.290 18097 3631 1 6 . 1 1 84 84 SER N N 373 122.569 122.569 116.939 5.630 18097 3632 1 6 . 1 1 84 84 SER HA H 373 4.348 4.348 4.499 -0.151 18097 3633 1 6 . 1 1 84 84 SER C C 373 172.270 172.270 173.050 -0.780 18097 3634 1 6 . 1 1 84 84 SER CA C 373 58.996 58.996 58.034 0.962 18097 3635 1 6 . 1 1 84 84 SER H H 373 9.839 9.839 8.645 1.194 18097 3636 1 6 . 1 1 85 85 ALA N N 374 120.821 120.821 121.425 -0.604 18097 3637 1 6 . 1 1 85 85 ALA C C 374 174.253 174.253 174.775 -0.522 18097 3638 1 6 . 1 1 85 85 ALA CA C 374 51.020 51.020 51.645 -0.625 18097 3639 1 6 . 1 1 85 85 ALA H H 374 7.130 7.130 7.439 -0.309 18097 3640 1 6 . 1 1 86 86 TRP N N 375 109.378 109.378 116.030 -6.652 18097 3641 1 6 . 1 1 86 86 TRP C C 375 176.096 176.096 173.290 2.806 18097 3642 1 6 . 1 1 86 86 TRP CA C 375 56.909 56.909 56.511 0.398 18097 3643 1 6 . 1 1 86 86 TRP H H 375 7.876 7.876 7.681 0.195 18097 3644 1 6 . 1 1 87 87 ILE N N 376 118.409 118.409 121.660 -3.251 18097 3645 1 6 . 1 1 87 87 ILE C C 376 175.405 175.405 174.833 0.572 18097 3646 1 6 . 1 1 87 87 ILE CA C 376 60.679 60.679 59.886 0.792 18097 3647 1 6 . 1 1 87 87 ILE H H 376 9.270 9.270 9.168 0.102 18097 3648 1 6 . 1 1 88 88 LEU N N 377 122.952 122.952 121.948 1.004 18097 3649 1 6 . 1 1 88 88 LEU C C 377 174.967 174.967 175.966 -0.999 18097 3650 1 6 . 1 1 88 88 LEU CA C 377 54.520 54.520 53.220 1.300 18097 3651 1 6 . 1 1 88 88 LEU H H 377 9.422 9.422 8.660 0.762 18097 3652 1 6 . 1 1 89 89 GLY N N 378 103.446 103.446 107.832 -4.386 18097 3653 1 6 . 1 1 89 89 GLY C C 378 171.976 171.976 172.942 -0.966 18097 3654 1 6 . 1 1 89 89 GLY CA C 378 47.251 47.251 46.675 0.577 18097 3655 1 6 . 1 1 89 89 GLY H H 378 8.366 8.366 8.734 -0.368 18097 3656 1 6 . 1 1 90 90 VAL N N 379 130.348 130.348 120.751 9.597 18097 3657 1 6 . 1 1 90 90 VAL HA H 379 4.164 4.164 5.241 -1.077 18097 3658 1 6 . 1 1 90 90 VAL C C 379 172.847 172.847 173.985 -1.138 18097 3659 1 6 . 1 1 90 90 VAL CA C 379 60.477 60.477 61.388 -0.911 18097 3660 1 6 . 1 1 90 90 VAL H H 379 9.224 9.224 8.561 0.663 18097 3661 1 6 . 1 1 91 91 CYS N N 380 122.658 122.658 123.868 -1.210 18097 3662 1 6 . 1 1 91 91 CYS C C 380 173.630 173.630 173.511 0.119 18097 3663 1 6 . 1 1 91 91 CYS CA C 380 55.429 55.429 55.878 -0.449 18097 3664 1 6 . 1 1 91 91 CYS H H 380 9.398 9.398 9.365 0.033 18097 3665 1 6 . 1 1 92 92 ALA N N 381 127.998 127.998 125.302 2.696 18097 3666 1 6 . 1 1 92 92 ALA HA H 381 5.049 5.049 5.095 -0.046 18097 3667 1 6 . 1 1 92 92 ALA C C 381 176.479 176.479 176.312 0.167 18097 3668 1 6 . 1 1 92 92 ALA CA C 381 52.400 52.400 51.210 1.190 18097 3669 1 6 . 1 1 92 92 ALA H H 381 9.478 9.478 7.994 1.484 18097 3670 1 6 . 1 1 93 93 GLY N N 382 108.533 108.533 105.313 3.220 18097 3671 1 6 . 1 1 93 93 GLY C C 382 173.580 173.580 172.659 0.921 18097 3672 1 6 . 1 1 93 93 GLY CA C 382 43.212 43.212 44.248 -1.036 18097 3673 1 6 . 1 1 93 93 GLY H H 382 8.194 8.194 7.271 0.923 18097 3674 1 6 . 1 1 94 94 PHE N N 383 116.476 116.476 117.676 -1.200 18097 3675 1 6 . 1 1 94 94 PHE HA H 383 4.536 4.536 4.885 -0.349 18097 3676 1 6 . 1 1 94 94 PHE C C 383 178.079 178.079 176.872 1.207 18097 3677 1 6 . 1 1 94 94 PHE CA C 383 56.627 56.627 56.461 0.167 18097 3678 1 6 . 1 1 94 94 PHE H H 383 8.290 8.290 8.142 0.148 18097 3679 1 6 . 1 1 105 105 ASN N N 394 112.033 112.033 115.734 -3.701 18097 3680 1 6 . 1 1 105 105 ASN HA H 394 4.715 4.715 4.968 -0.253 18097 3681 1 6 . 1 1 105 105 ASN C C 394 173.835 173.835 173.662 0.173 18097 3682 1 6 . 1 1 105 105 ASN CA C 394 51.929 51.929 51.842 0.087 18097 3683 1 6 . 1 1 105 105 ASN H H 394 6.912 6.912 7.643 -0.731 18097 3684 1 6 . 1 1 106 106 GLU N N 395 117.585 117.585 116.247 1.338 18097 3685 1 6 . 1 1 106 106 GLU C C 395 175.574 175.574 175.033 0.541 18097 3686 1 6 . 1 1 106 106 GLU CA C 395 56.808 56.808 57.014 -0.206 18097 3687 1 6 . 1 1 106 106 GLU H H 395 7.354 7.354 7.556 -0.202 18097 3688 1 6 . 1 1 107 107 ASN N N 396 118.664 118.664 118.167 0.497 18097 3689 1 6 . 1 1 107 107 ASN HA H 396 4.536 4.536 4.663 -0.127 18097 3690 1 6 . 1 1 107 107 ASN C C 396 173.441 173.441 173.676 -0.235 18097 3691 1 6 . 1 1 107 107 ASN CA C 396 50.448 50.448 51.536 -1.088 18097 3692 1 6 . 1 1 107 107 ASN H H 396 8.082 8.082 7.506 0.576 18097 3693 1 6 . 1 1 108 108 TYR N N 397 117.301 117.301 120.801 -3.500 18097 3694 1 6 . 1 1 108 108 TYR HA H 397 4.605 4.605 3.898 0.707 18097 3695 1 6 . 1 1 108 108 TYR C C 397 173.186 173.186 174.721 -1.535 18097 3696 1 6 . 1 1 108 108 TYR CA C 397 55.530 55.530 58.273 -2.743 18097 3697 1 6 . 1 1 108 108 TYR H H 397 6.101 6.101 7.173 -1.072 18097 3698 1 6 . 1 1 109 109 GLN N N 398 114.934 114.934 120.912 -5.978 18097 3699 1 6 . 1 1 109 109 GLN C C 398 175.064 175.064 174.070 0.994 18097 3700 1 6 . 1 1 109 109 GLN CA C 398 53.241 53.241 52.767 0.475 18097 3701 1 6 . 1 1 109 109 GLN H H 398 6.115 6.115 8.371 -2.256 18097 3702 1 6 . 1 1 111 111 LYS N N 400 120.723 120.723 115.160 5.563 18097 3703 1 6 . 1 1 111 111 LYS HA H 400 4.068 4.068 4.036 0.032 18097 3704 1 6 . 1 1 111 111 LYS C C 400 177.244 177.244 177.266 -0.022 18097 3705 1 6 . 1 1 111 111 LYS CA C 400 58.289 58.289 58.126 0.164 18097 3706 1 6 . 1 1 111 111 LYS H H 400 10.775 10.775 7.986 2.789 18097 3707 1 6 . 1 1 112 112 TYR N N 401 120.182 120.182 117.648 2.534 18097 3708 1 6 . 1 1 112 112 TYR HA H 401 3.612 3.612 4.599 -0.987 18097 3709 1 6 . 1 1 112 112 TYR C C 401 175.853 175.853 174.907 0.946 18097 3710 1 6 . 1 1 112 112 TYR CA C 401 53.847 53.847 56.071 -2.224 18097 3711 1 6 . 1 1 112 112 TYR H H 401 7.647 7.647 7.553 0.094 18097 3712 1 6 . 1 1 113 113 GLY N N 402 107.764 107.764 106.754 1.010 18097 3713 1 6 . 1 1 113 113 GLY C C 402 171.679 171.679 172.398 -0.719 18097 3714 1 6 . 1 1 113 113 GLY CA C 402 45.972 45.972 44.827 1.145 18097 3715 1 6 . 1 1 113 113 GLY H H 402 8.057 8.057 7.078 0.979 18097 3716 1 6 . 1 1 114 114 TYR N N 403 115.659 115.659 118.466 -2.807 18097 3717 1 6 . 1 1 114 114 TYR C C 403 173.013 173.013 174.838 -1.825 18097 3718 1 6 . 1 1 114 114 TYR CA C 403 57.515 57.515 56.688 0.827 18097 3719 1 6 . 1 1 114 114 TYR H H 403 6.585 6.585 7.048 -0.463 18097 3720 1 6 . 1 1 115 115 TRP N N 404 125.437 125.437 127.054 -1.617 18097 3721 1 6 . 1 1 115 115 TRP C C 404 175.405 175.405 174.601 0.804 18097 3722 1 6 . 1 1 115 115 TRP CA C 404 57.650 57.650 55.866 1.784 18097 3723 1 6 . 1 1 115 115 TRP H H 404 8.420 8.420 9.055 -0.635 18097 3724 1 6 . 1 1 116 116 VAL N N 405 116.317 116.317 115.736 0.581 18097 3725 1 6 . 1 1 116 116 VAL C C 405 174.368 174.368 174.020 0.348 18097 3726 1 6 . 1 1 116 116 VAL CA C 405 58.525 58.525 59.267 -0.741 18097 3727 1 6 . 1 1 116 116 VAL H H 405 9.825 9.825 7.722 2.103 18097 3728 1 6 . 1 1 117 117 ILE N N 406 110.464 110.464 114.581 -4.117 18097 3729 1 6 . 1 1 117 117 ILE C C 406 174.879 174.879 174.568 0.311 18097 3730 1 6 . 1 1 117 117 ILE CA C 406 58.929 58.929 58.663 0.267 18097 3731 1 6 . 1 1 117 117 ILE H H 406 8.268 8.268 8.522 -0.254 18097 3732 1 6 . 1 1 118 118 GLY N N 407 105.424 105.424 108.425 -3.001 18097 3733 1 6 . 1 1 118 118 GLY C C 407 169.418 169.418 170.975 -1.557 18097 3734 1 6 . 1 1 118 118 GLY CA C 407 45.770 45.770 43.720 2.050 18097 3735 1 6 . 1 1 118 118 GLY H H 407 9.115 9.115 8.910 0.205 18097 3736 1 6 . 1 1 119 119 LEU N N 408 118.628 118.628 119.917 -1.289 18097 3737 1 6 . 1 1 119 119 LEU C C 408 176.224 176.224 173.947 2.277 18097 3738 1 6 . 1 1 119 119 LEU CA C 408 52.265 52.265 52.449 -0.184 18097 3739 1 6 . 1 1 119 119 LEU H H 408 7.892 7.892 7.421 0.471 18097 3740 1 6 . 1 1 120 120 GLN N N 409 123.541 123.541 124.161 -0.620 18097 3741 1 6 . 1 1 120 120 GLN HA H 409 4.233 4.233 4.740 -0.507 18097 3742 1 6 . 1 1 120 120 GLN C C 409 173.000 173.000 175.180 -2.180 18097 3743 1 6 . 1 1 120 120 GLN CA C 409 54.284 54.284 54.620 -0.336 18097 3744 1 6 . 1 1 120 120 GLN H H 409 8.375 8.375 8.457 -0.082 18097 3745 1 6 . 1 1 121 121 GLU N N 410 117.179 117.179 120.610 -3.431 18097 3746 1 6 . 1 1 121 121 GLU C C 410 176.800 176.800 176.350 0.450 18097 3747 1 6 . 1 1 121 121 GLU CA C 410 56.809 56.809 57.190 -0.381 18097 3748 1 6 . 1 1 121 121 GLU H H 410 8.864 8.864 9.174 -0.310 18097 3749 1 6 . 1 1 125 125 TYR N N 414 128.783 128.783 123.989 4.794 18097 3750 1 6 . 1 1 125 125 TYR HA H 414 5.192 5.192 5.378 -0.186 18097 3751 1 6 . 1 1 125 125 TYR C C 414 176.827 176.827 176.229 0.598 18097 3752 1 6 . 1 1 125 125 TYR CA C 414 57.212 57.212 57.793 -0.581 18097 3753 1 6 . 1 1 125 125 TYR H H 414 9.145 9.145 8.504 0.641 18097 3754 1 6 . 1 1 126 126 SER N N 415 117.388 117.388 114.736 2.652 18097 3755 1 6 . 1 1 126 126 SER HA H 415 5.049 5.049 5.141 -0.092 18097 3756 1 6 . 1 1 126 126 SER C C 415 170.913 170.913 172.016 -1.103 18097 3757 1 6 . 1 1 126 126 SER CA C 415 57.482 57.482 58.066 -0.584 18097 3758 1 6 . 1 1 126 126 SER H H 415 9.192 9.192 9.164 0.028 18097 3759 1 6 . 1 1 127 127 VAL N N 416 119.557 119.557 120.989 -1.432 18097 3760 1 6 . 1 1 127 127 VAL C C 416 172.653 172.653 173.777 -1.124 18097 3761 1 6 . 1 1 127 127 VAL CA C 416 59.703 59.703 59.644 0.059 18097 3762 1 6 . 1 1 127 127 VAL H H 416 8.761 8.761 8.787 -0.026 18097 3763 1 6 . 1 1 128 128 PHE N N 417 127.341 127.341 129.017 -1.676 18097 3764 1 6 . 1 1 128 128 PHE HA H 417 4.267 4.267 4.615 -0.348 18097 3765 1 6 . 1 1 128 128 PHE C C 417 174.925 174.925 174.780 0.145 18097 3766 1 6 . 1 1 128 128 PHE CA C 417 58.458 58.458 59.392 -0.934 18097 3767 1 6 . 1 1 128 128 PHE H H 417 7.150 7.150 8.416 -1.266 18097 3768 1 6 . 1 1 129 129 GLN N N 418 122.834 122.834 121.134 1.700 18097 3769 1 6 . 1 1 129 129 GLN HA H 418 4.125 4.125 4.756 -0.631 18097 3770 1 6 . 1 1 129 129 GLN C C 418 176.038 176.038 175.062 0.976 18097 3771 1 6 . 1 1 129 129 GLN CA C 418 53.679 53.679 53.931 -0.252 18097 3772 1 6 . 1 1 129 129 GLN H H 418 8.693 8.693 7.721 0.972 18097 3773 1 6 . 1 1 130 130 ASP N N 419 119.994 119.994 120.369 -0.375 18097 3774 1 6 . 1 1 130 130 ASP HA H 419 4.964 4.964 4.693 0.271 18097 3775 1 6 . 1 1 130 130 ASP C C 419 178.218 178.218 176.702 1.516 18097 3776 1 6 . 1 1 130 130 ASP CA C 419 54.991 54.991 55.428 -0.437 18097 3777 1 6 . 1 1 130 130 ASP H H 419 8.425 8.425 8.504 -0.079 18097 3778 1 6 . 1 1 131 131 GLY N N 420 107.499 107.499 109.078 -1.579 18097 3779 1 6 . 1 1 131 131 GLY C C 420 174.415 174.415 173.029 1.386 18097 3780 1 6 . 1 1 131 131 GLY CA C 420 44.735 44.735 43.771 0.964 18097 3781 1 6 . 1 1 131 131 GLY H H 420 8.112 8.112 8.913 -0.801 18097 3782 1 6 . 1 1 132 132 SER N N 421 115.128 115.128 114.045 1.083 18097 3783 1 6 . 1 1 132 132 SER C C 421 176.177 176.177 176.340 -0.163 18097 3784 1 6 . 1 1 132 132 SER CA C 421 57.515 57.515 57.641 -0.126 18097 3785 1 6 . 1 1 132 132 SER H H 421 8.016 8.016 8.383 -0.367 18097 3786 1 6 . 1 1 137 137 PHE N N 426 115.968 115.968 115.752 0.216 18097 3787 1 6 . 1 1 137 137 PHE HA H 426 4.525 4.525 4.592 -0.067 18097 3788 1 6 . 1 1 137 137 PHE C C 426 173.511 173.511 175.029 -1.518 18097 3789 1 6 . 1 1 137 137 PHE CA C 426 56.707 56.707 57.681 -0.974 18097 3790 1 6 . 1 1 137 137 PHE H H 426 7.817 7.817 7.662 0.155 18097 3791 1 6 . 1 1 138 138 ALA N N 427 124.435 124.435 121.102 3.333 18097 3792 1 6 . 1 1 138 138 ALA HA H 427 4.219 4.219 4.851 -0.632 18097 3793 1 6 . 1 1 138 138 ALA C C 427 173.835 173.835 174.316 -0.481 18097 3794 1 6 . 1 1 138 138 ALA CA C 427 48.933 48.933 49.462 -0.529 18097 3795 1 6 . 1 1 138 138 ALA H H 427 7.451 7.451 7.648 -0.197 18097 3796 1 6 . 1 1 140 140 PHE N N 429 122.819 122.819 121.937 0.882 18097 3797 1 6 . 1 1 140 140 PHE HA H 429 4.795 4.795 4.741 0.054 18097 3798 1 6 . 1 1 140 140 PHE C C 429 173.232 173.232 174.715 -1.483 18097 3799 1 6 . 1 1 140 140 PHE CA C 429 55.556 55.556 55.769 -0.213 18097 3800 1 6 . 1 1 140 140 PHE H H 429 8.009 8.009 8.105 -0.096 18097 3801 1 6 . 1 1 141 141 ILE N N 430 127.916 127.916 125.037 2.879 18097 3802 1 6 . 1 1 141 141 ILE HA H 430 3.992 3.992 3.732 0.260 18097 3803 1 6 . 1 1 141 141 ILE C C 430 175.459 175.459 175.356 0.103 18097 3804 1 6 . 1 1 141 141 ILE CA C 430 60.443 60.443 62.169 -1.726 18097 3805 1 6 . 1 1 141 141 ILE H H 430 8.069 8.069 7.643 0.426 18097 3806 1 6 . 1 1 142 142 VAL N N 431 131.283 131.283 127.623 3.660 18097 3807 1 6 . 1 1 142 142 VAL HA H 431 4.261 4.261 4.334 -0.073 18097 3808 1 6 . 1 1 142 142 VAL C C 431 173.580 173.580 173.876 -0.296 18097 3809 1 6 . 1 1 142 142 VAL CA C 431 58.828 58.828 58.382 0.446 18097 3810 1 6 . 1 1 142 142 VAL H H 431 8.332 8.332 8.222 0.110 18097 3811 1 6 . 1 1 145 145 SER N N 434 121.965 121.965 118.841 3.124 18097 3812 1 6 . 1 1 145 145 SER C C 434 174.529 174.529 173.953 0.576 18097 3813 1 6 . 1 1 145 145 SER H H 434 8.546 8.546 8.577 -0.031 18097 3814 1 6 . 1 1 149 149 CYS N N 438 126.863 126.863 127.620 -0.757 18097 3815 1 6 . 1 1 149 149 CYS C C 438 173.441 173.441 173.161 0.280 18097 3816 1 6 . 1 1 149 149 CYS CA C 438 58.256 58.256 59.370 -1.114 18097 3817 1 6 . 1 1 149 149 CYS H H 438 8.557 8.557 8.571 -0.014 18097 3818 1 6 . 1 1 151 151 ASP N N 440 123.283 123.283 120.660 2.623 18097 3819 1 6 . 1 1 151 151 ASP HA H 440 4.550 4.550 4.781 -0.231 18097 3820 1 6 . 1 1 151 151 ASP C C 440 175.505 175.505 175.898 -0.393 18097 3821 1 6 . 1 1 151 151 ASP CA C 440 55.227 55.227 54.786 0.441 18097 3822 1 6 . 1 1 151 151 ASP H H 440 9.027 9.027 9.131 -0.104 18097 3823 1 6 . 1 1 152 152 ARG N N 441 116.407 116.407 118.849 -2.442 18097 3824 1 6 . 1 1 152 152 ARG HA H 441 4.316 4.316 4.876 -0.560 18097 3825 1 6 . 1 1 152 152 ARG C C 441 173.858 173.858 173.332 0.526 18097 3826 1 6 . 1 1 152 152 ARG CA C 441 54.486 54.486 55.946 -1.460 18097 3827 1 6 . 1 1 152 152 ARG H H 441 6.962 6.962 7.350 -0.388 18097 3828 1 6 . 1 1 153 153 VAL N N 442 123.155 123.155 125.655 -2.500 18097 3829 1 6 . 1 1 153 153 VAL C C 442 174.967 174.967 175.209 -0.242 18097 3830 1 6 . 1 1 153 153 VAL CA C 442 60.174 60.174 60.465 -0.291 18097 3831 1 6 . 1 1 153 153 VAL H H 442 8.689 8.689 8.767 -0.078 18097 3832 1 6 . 1 1 154 154 GLY N N 443 114.213 114.213 114.244 -0.031 18097 3833 1 6 . 1 1 154 154 GLY C C 443 171.584 171.584 172.458 -0.874 18097 3834 1 6 . 1 1 154 154 GLY CA C 443 44.827 44.827 43.759 1.068 18097 3835 1 6 . 1 1 154 154 GLY H H 443 9.100 9.100 8.859 0.241 18097 3836 1 6 . 1 1 155 155 VAL N N 444 126.435 126.435 125.524 0.911 18097 3837 1 6 . 1 1 155 155 VAL HA H 444 4.123 4.123 4.625 -0.502 18097 3838 1 6 . 1 1 155 155 VAL C C 444 171.856 171.856 173.661 -1.805 18097 3839 1 6 . 1 1 155 155 VAL CA C 444 60.712 60.712 60.445 0.267 18097 3840 1 6 . 1 1 155 155 VAL H H 444 8.485 8.485 8.333 0.152 18097 3841 1 6 . 1 1 156 156 PHE N N 445 122.110 122.110 128.801 -6.691 18097 3842 1 6 . 1 1 156 156 PHE HA H 445 4.580 4.580 5.421 -0.841 18097 3843 1 6 . 1 1 156 156 PHE C C 445 174.598 174.598 173.470 1.128 18097 3844 1 6 . 1 1 156 156 PHE CA C 445 53.174 53.174 54.709 -1.535 18097 3845 1 6 . 1 1 156 156 PHE H H 445 8.441 8.441 8.644 -0.203 18097 3846 1 6 . 1 1 157 157 VAL N N 446 130.057 130.057 127.297 2.760 18097 3847 1 6 . 1 1 157 157 VAL HA H 446 4.275 4.275 4.623 -0.348 18097 3848 1 6 . 1 1 157 157 VAL C C 446 172.086 172.086 173.500 -1.414 18097 3849 1 6 . 1 1 157 157 VAL CA C 446 59.837 59.837 60.771 -0.934 18097 3850 1 6 . 1 1 157 157 VAL H H 446 9.139 9.139 8.841 0.298 18097 3851 1 6 . 1 1 158 158 ASP N N 447 124.791 124.791 127.375 -2.584 18097 3852 1 6 . 1 1 158 158 ASP HA H 447 4.491 4.491 4.748 -0.257 18097 3853 1 6 . 1 1 158 158 ASP C C 447 176.456 176.456 176.360 0.096 18097 3854 1 6 . 1 1 158 158 ASP CA C 447 51.794 51.794 51.356 0.438 18097 3855 1 6 . 1 1 158 158 ASP H H 447 7.608 7.608 8.417 -0.809 18097 3856 1 6 . 1 1 159 159 TYR N N 448 125.168 125.168 126.272 -1.104 18097 3857 1 6 . 1 1 159 159 TYR HA H 448 3.793 3.793 4.014 -0.221 18097 3858 1 6 . 1 1 159 159 TYR C C 448 177.894 177.894 176.874 1.020 18097 3859 1 6 . 1 1 159 159 TYR CA C 448 61.688 61.688 63.045 -1.357 18097 3860 1 6 . 1 1 159 159 TYR H H 448 8.778 8.778 7.902 0.876 18097 3861 1 6 . 1 1 160 160 GLU N N 449 116.788 116.788 116.512 0.276 18097 3862 1 6 . 1 1 160 160 GLU HA H 449 3.967 3.967 3.994 -0.027 18097 3863 1 6 . 1 1 160 160 GLU C C 449 178.520 178.520 178.228 0.292 18097 3864 1 6 . 1 1 160 160 GLU CA C 449 60.578 60.578 59.151 1.427 18097 3865 1 6 . 1 1 160 160 GLU H H 449 8.003 8.003 8.810 -0.807 18097 3866 1 6 . 1 1 161 161 ALA N N 450 119.184 119.184 118.541 0.643 18097 3867 1 6 . 1 1 161 161 ALA HA H 450 4.026 4.026 4.205 -0.179 18097 3868 1 6 . 1 1 161 161 ALA C C 450 176.664 176.664 177.123 -0.459 18097 3869 1 6 . 1 1 161 161 ALA CA C 450 51.895 51.895 52.527 -0.632 18097 3870 1 6 . 1 1 161 161 ALA H H 450 7.695 7.695 8.405 -0.710 18097 3871 1 6 . 1 1 162 162 CYS N N 451 112.485 112.485 115.652 -3.167 18097 3872 1 6 . 1 1 162 162 CYS C C 451 173.047 173.047 172.871 0.176 18097 3873 1 6 . 1 1 162 162 CYS CA C 451 59.063 59.063 59.613 -0.550 18097 3874 1 6 . 1 1 162 162 CYS H H 451 7.880 7.880 8.393 -0.513 18097 3875 1 6 . 1 1 163 163 THR N N 452 106.985 106.985 110.094 -3.109 18097 3876 1 6 . 1 1 163 163 THR C C 452 173.335 173.335 173.019 0.316 18097 3877 1 6 . 1 1 163 163 THR CA C 452 58.727 58.727 60.035 -1.308 18097 3878 1 6 . 1 1 163 163 THR H H 452 7.623 7.623 7.405 0.218 18097 3879 1 6 . 1 1 164 164 VAL N N 453 119.085 119.085 125.109 -6.024 18097 3880 1 6 . 1 1 164 164 VAL C C 453 174.741 174.741 174.974 -0.233 18097 3881 1 6 . 1 1 164 164 VAL CA C 453 61.756 61.756 61.013 0.744 18097 3882 1 6 . 1 1 164 164 VAL H H 453 7.900 7.900 8.636 -0.736 18097 3883 1 6 . 1 1 165 165 SER N N 454 121.792 121.792 123.063 -1.271 18097 3884 1 6 . 1 1 165 165 SER C C 454 170.888 170.888 173.094 -2.206 18097 3885 1 6 . 1 1 165 165 SER CA C 454 57.482 57.482 56.920 0.562 18097 3886 1 6 . 1 1 165 165 SER H H 454 9.034 9.034 8.876 0.158 18097 3887 1 6 . 1 1 166 166 PHE N N 455 117.889 117.889 120.495 -2.606 18097 3888 1 6 . 1 1 166 166 PHE C C 455 175.064 175.064 174.466 0.598 18097 3889 1 6 . 1 1 166 166 PHE CA C 455 55.361 55.361 56.148 -0.787 18097 3890 1 6 . 1 1 166 166 PHE H H 455 8.076 8.076 8.837 -0.761 18097 3891 1 6 . 1 1 167 167 PHE N N 456 121.297 121.297 121.449 -0.152 18097 3892 1 6 . 1 1 167 167 PHE C C 456 175.018 175.018 175.420 -0.402 18097 3893 1 6 . 1 1 167 167 PHE CA C 456 56.808 56.808 56.473 0.335 18097 3894 1 6 . 1 1 167 167 PHE H H 456 10.023 10.023 9.322 0.701 18097 3895 1 6 . 1 1 168 168 ASN N N 457 120.535 120.535 122.444 -1.909 18097 3896 1 6 . 1 1 168 168 ASN HA H 457 4.591 4.591 5.117 -0.526 18097 3897 1 6 . 1 1 168 168 ASN C C 457 175.157 175.157 176.056 -0.899 18097 3898 1 6 . 1 1 168 168 ASN CA C 457 51.659 51.659 50.593 1.066 18097 3899 1 6 . 1 1 168 168 ASN H H 457 9.646 9.646 8.923 0.723 18097 3900 1 6 . 1 1 169 169 ILE N N 458 124.615 124.615 124.219 0.396 18097 3901 1 6 . 1 1 169 169 ILE C C 458 176.548 176.548 177.352 -0.804 18097 3902 1 6 . 1 1 169 169 ILE CA C 458 62.698 62.698 63.811 -1.113 18097 3903 1 6 . 1 1 169 169 ILE H H 458 7.792 7.792 8.038 -0.246 18097 3904 1 6 . 1 1 170 170 THR N N 459 114.704 114.704 112.228 2.476 18097 3905 1 6 . 1 1 170 170 THR HA H 459 4.004 4.004 4.088 -0.084 18097 3906 1 6 . 1 1 170 170 THR C C 459 173.719 173.719 175.025 -1.306 18097 3907 1 6 . 1 1 170 170 THR CA C 459 64.549 64.549 64.875 -0.326 18097 3908 1 6 . 1 1 170 170 THR H H 459 7.382 7.382 7.831 -0.449 18097 3909 1 6 . 1 1 171 171 ASN N N 460 119.172 119.172 119.123 0.049 18097 3910 1 6 . 1 1 171 171 ASN HA H 460 4.770 4.770 4.906 -0.136 18097 3911 1 6 . 1 1 171 171 ASN C C 460 173.835 173.835 174.244 -0.409 18097 3912 1 6 . 1 1 171 171 ASN CA C 460 49.674 49.674 51.181 -1.507 18097 3913 1 6 . 1 1 171 171 ASN H H 460 7.079 7.079 8.520 -1.441 18097 3914 1 6 . 1 1 172 172 HIS N N 461 111.334 111.334 116.901 -5.567 18097 3915 1 6 . 1 1 172 172 HIS HA H 461 3.942 3.942 4.042 -0.100 18097 3916 1 6 . 1 1 172 172 HIS C C 461 174.114 174.114 174.898 -0.784 18097 3917 1 6 . 1 1 172 172 HIS CA C 461 57.313 57.313 57.720 -0.407 18097 3918 1 6 . 1 1 172 172 HIS H H 461 7.350 7.350 7.787 -0.437 18097 3919 1 6 . 1 1 173 173 GLY N N 462 105.400 105.400 105.771 -0.371 18097 3920 1 6 . 1 1 173 173 GLY C C 462 173.603 173.603 174.465 -0.862 18097 3921 1 6 . 1 1 173 173 GLY CA C 462 47.486 47.486 45.534 1.952 18097 3922 1 6 . 1 1 173 173 GLY H H 462 7.818 7.818 7.916 -0.098 18097 3923 1 6 . 1 1 174 174 PHE N N 463 120.249 120.249 118.831 1.418 18097 3924 1 6 . 1 1 174 174 PHE HA H 463 4.423 4.423 4.539 -0.116 18097 3925 1 6 . 1 1 174 174 PHE C C 463 176.502 176.502 176.445 0.057 18097 3926 1 6 . 1 1 174 174 PHE CA C 463 57.549 57.549 57.928 -0.379 18097 3927 1 6 . 1 1 174 174 PHE H H 463 7.626 7.626 8.079 -0.453 18097 3928 1 6 . 1 1 175 175 LEU N N 464 125.969 125.969 125.286 0.683 18097 3929 1 6 . 1 1 175 175 LEU C C 464 176.780 176.780 176.303 0.477 18097 3930 1 6 . 1 1 175 175 LEU CA C 464 56.068 56.068 56.141 -0.073 18097 3931 1 6 . 1 1 175 175 LEU H H 464 8.561 8.561 8.684 -0.123 18097 3932 1 6 . 1 1 176 176 ILE N N 465 126.876 126.876 126.629 0.247 18097 3933 1 6 . 1 1 176 176 ILE C C 465 175.528 175.528 175.254 0.274 18097 3934 1 6 . 1 1 176 176 ILE CA C 465 63.169 63.169 63.642 -0.473 18097 3935 1 6 . 1 1 176 176 ILE H H 465 9.330 9.330 8.963 0.367 18097 3936 1 6 . 1 1 177 177 TYR N N 466 115.047 115.047 117.723 -2.676 18097 3937 1 6 . 1 1 177 177 TYR HA H 466 4.068 4.068 4.632 -0.564 18097 3938 1 6 . 1 1 177 177 TYR C C 466 171.006 171.006 172.739 -1.733 18097 3939 1 6 . 1 1 177 177 TYR CA C 466 59.097 59.097 57.182 1.915 18097 3940 1 6 . 1 1 177 177 TYR H H 466 7.212 7.212 7.533 -0.321 18097 3941 1 6 . 1 1 178 178 LYS N N 467 127.911 127.911 124.136 3.775 18097 3942 1 6 . 1 1 178 178 LYS C C 467 175.273 175.273 174.380 0.893 18097 3943 1 6 . 1 1 178 178 LYS CA C 467 54.520 54.520 55.276 -0.756 18097 3944 1 6 . 1 1 178 178 LYS H H 467 6.811 6.811 7.072 -0.261 18097 3945 1 6 . 1 1 179 179 PHE N N 468 126.383 126.383 126.543 -0.160 18097 3946 1 6 . 1 1 179 179 PHE HA H 468 4.632 4.632 4.775 -0.143 18097 3947 1 6 . 1 1 179 179 PHE C C 468 175.336 175.336 174.701 0.635 18097 3948 1 6 . 1 1 179 179 PHE CA C 468 58.289 58.289 58.648 -0.359 18097 3949 1 6 . 1 1 179 179 PHE H H 468 9.651 9.651 9.461 0.190 18097 3950 1 6 . 1 1 180 180 SER N N 469 115.506 115.506 117.149 -1.643 18097 3951 1 6 . 1 1 180 180 SER HA H 469 4.837 4.837 4.829 0.008 18097 3952 1 6 . 1 1 180 180 SER C C 469 172.861 172.861 173.957 -1.096 18097 3953 1 6 . 1 1 180 180 SER CA C 469 56.707 56.707 57.657 -0.950 18097 3954 1 6 . 1 1 180 180 SER H H 469 8.485 8.485 8.540 -0.055 18097 3955 1 6 . 1 1 181 181 GLN N N 470 117.133 117.133 118.409 -1.276 18097 3956 1 6 . 1 1 181 181 GLN HA H 470 3.629 3.629 3.800 -0.171 18097 3957 1 6 . 1 1 181 181 GLN C C 470 176.015 176.015 174.758 1.257 18097 3958 1 6 . 1 1 181 181 GLN CA C 470 56.472 56.472 56.716 -0.244 18097 3959 1 6 . 1 1 181 181 GLN H H 470 9.298 9.298 8.537 0.761 18097 3960 1 6 . 1 1 182 182 CYS N N 471 116.032 116.032 118.456 -2.424 18097 3961 1 6 . 1 1 182 182 CYS C C 471 175.899 175.899 175.493 0.406 18097 3962 1 6 . 1 1 182 182 CYS CA C 471 60.039 60.039 58.615 1.424 18097 3963 1 6 . 1 1 182 182 CYS H H 471 7.876 7.876 7.569 0.307 18097 3964 1 6 . 1 1 183 183 SER N N 472 118.074 118.074 120.476 -2.402 18097 3965 1 6 . 1 1 183 183 SER HA H 472 4.194 4.194 4.407 -0.213 18097 3966 1 6 . 1 1 183 183 SER C C 472 174.392 174.392 173.791 0.601 18097 3967 1 6 . 1 1 183 183 SER CA C 472 56.337 56.337 58.438 -2.101 18097 3968 1 6 . 1 1 183 183 SER H H 472 8.561 8.561 9.017 -0.456 18097 3969 1 6 . 1 1 184 184 PHE N N 473 125.605 125.605 126.673 -1.068 18097 3970 1 6 . 1 1 184 184 PHE HA H 473 4.825 4.825 4.529 0.296 18097 3971 1 6 . 1 1 184 184 PHE C C 473 175.157 175.157 175.616 -0.459 18097 3972 1 6 . 1 1 184 184 PHE CA C 473 52.534 52.534 54.828 -2.295 18097 3973 1 6 . 1 1 184 184 PHE H H 473 7.275 7.275 7.964 -0.689 18097 3974 1 6 . 1 1 188 188 VAL N N 477 111.123 111.123 117.646 -6.523 18097 3975 1 6 . 1 1 188 188 VAL C C 477 173.279 173.279 174.067 -0.788 18097 3976 1 6 . 1 1 188 188 VAL CA C 477 58.626 58.626 59.517 -0.891 18097 3977 1 6 . 1 1 188 188 VAL H H 477 7.959 7.959 7.727 0.232 18097 3978 1 6 . 1 1 189 189 PHE N N 478 114.592 114.592 118.673 -4.081 18097 3979 1 6 . 1 1 189 189 PHE CA C 478 54.957 54.957 54.397 0.560 18097 3980 1 6 . 1 1 189 189 PHE H H 478 8.774 8.774 9.592 -0.818 18097 3981 1 6 . 1 1 191 191 TYR N N 480 121.836 121.836 126.467 -4.631 18097 3982 1 6 . 1 1 191 191 TYR HA H 480 5.142 5.142 5.119 0.023 18097 3983 1 6 . 1 1 191 191 TYR C C 480 174.693 174.693 174.448 0.245 18097 3984 1 6 . 1 1 191 191 TYR CA C 480 57.078 57.078 57.172 -0.094 18097 3985 1 6 . 1 1 191 191 TYR H H 480 8.356 8.356 8.345 0.011 18097 3986 1 6 . 1 1 192 192 LEU N N 481 129.065 129.065 127.423 1.642 18097 3987 1 6 . 1 1 192 192 LEU HA H 481 4.605 4.605 4.855 -0.250 18097 3988 1 6 . 1 1 192 192 LEU C C 481 174.137 174.137 174.532 -0.395 18097 3989 1 6 . 1 1 192 192 LEU CA C 481 55.563 55.563 54.156 1.407 18097 3990 1 6 . 1 1 192 192 LEU H H 481 8.261 8.261 7.906 0.355 18097 3991 1 6 . 1 1 193 193 ASN N N 482 114.217 114.217 119.285 -5.068 18097 3992 1 6 . 1 1 193 193 ASN CA C 482 49.505 49.505 50.580 -1.075 18097 3993 1 6 . 1 1 193 193 ASN H H 482 8.007 8.007 8.154 -0.147 18097 3994 1 6 . 1 1 198 198 THR N N 487 121.563 121.563 119.500 2.063 18097 3995 1 6 . 1 1 198 198 THR HA H 487 4.044 4.044 4.159 -0.115 18097 3996 1 6 . 1 1 198 198 THR C C 487 174.206 174.206 174.708 -0.502 18097 3997 1 6 . 1 1 198 198 THR CA C 487 63.203 63.203 63.168 0.035 18097 3998 1 6 . 1 1 198 198 THR H H 487 8.265 8.265 8.297 -0.032 18097 3999 1 6 . 1 1 199 199 VAL N N 488 129.507 129.507 125.012 4.495 18097 4000 1 6 . 1 1 199 199 VAL C C 488 174.832 174.832 174.731 0.101 18097 4001 1 6 . 1 1 199 199 VAL CA C 488 61.419 61.419 59.925 1.494 18097 4002 1 6 . 1 1 199 199 VAL H H 488 8.737 8.737 7.465 1.272 18097 4003 1 6 . 1 1 201 201 MET N N 490 116.897 116.897 122.962 -6.065 18097 4004 1 6 . 1 1 201 201 MET HA H 490 5.073 5.073 5.248 -0.175 18097 4005 1 6 . 1 1 201 201 MET C C 490 175.180 175.180 175.387 -0.207 18097 4006 1 6 . 1 1 201 201 MET CA C 490 53.712 53.712 54.256 -0.544 18097 4007 1 6 . 1 1 201 201 MET H H 490 8.545 8.545 8.718 -0.173 18097 4008 1 6 . 1 1 202 202 THR N N 491 117.791 117.791 119.676 -1.885 18097 4009 1 6 . 1 1 202 202 THR HA H 491 4.977 4.977 5.008 -0.031 18097 4010 1 6 . 1 1 202 202 THR C C 491 173.981 173.981 174.297 -0.316 18097 4011 1 6 . 1 1 202 202 THR CA C 491 62.058 62.058 61.052 1.006 18097 4012 1 6 . 1 1 202 202 THR H H 491 8.312 8.312 8.315 -0.003 18097 4013 1 6 . 1 1 203 203 LEU N N 492 129.237 129.237 123.842 5.395 18097 4014 1 6 . 1 1 203 203 LEU HA H 492 4.756 4.756 5.196 -0.440 18097 4015 1 6 . 1 1 203 203 LEU C C 492 176.131 176.131 176.848 -0.717 18097 4016 1 6 . 1 1 203 203 LEU CA C 492 55.294 55.294 53.823 1.471 18097 4017 1 6 . 1 1 203 203 LEU H H 492 9.048 9.048 8.244 0.804 18097 4018 1 6 . 1 1 204 204 CYS N N 493 122.012 122.012 121.561 0.451 18097 4019 1 6 . 1 1 204 204 CYS HA H 493 4.577 4.577 4.025 0.552 18097 4020 1 6 . 1 1 204 204 CYS C C 493 174.531 174.531 174.127 0.404 18097 4021 1 6 . 1 1 204 204 CYS CA C 493 58.188 58.188 62.642 -4.454 18097 4022 1 6 . 1 1 204 204 CYS H H 493 8.609 8.609 8.873 -0.264 18097 4023 1 6 . 1 1 205 205 SER N N 494 120.249 120.249 111.636 8.613 18097 4024 1 6 . 1 1 205 205 SER C C 494 171.632 171.632 171.874 -0.242 18097 4025 1 6 . 1 1 205 205 SER CA C 494 56.909 56.909 58.198 -1.289 18097 4026 1 6 . 1 1 205 205 SER H H 494 8.665 8.665 8.395 0.270 18097 4027 1 7 . 1 1 3 3 GLU N N 292 122.345 122.345 122.805 -0.460 18097 4028 1 7 . 1 1 3 3 GLU HA H 292 3.992 3.992 3.988 0.004 18097 4029 1 7 . 1 1 3 3 GLU C C 292 178.218 178.218 177.679 0.539 18097 4030 1 7 . 1 1 3 3 GLU CA C 292 58.828 58.828 59.543 -0.715 18097 4031 1 7 . 1 1 3 3 GLU H H 292 8.831 8.831 8.521 0.310 18097 4032 1 7 . 1 1 4 4 LEU N N 293 121.001 121.001 118.465 2.536 18097 4033 1 7 . 1 1 4 4 LEU C C 293 177.175 177.175 177.571 -0.396 18097 4034 1 7 . 1 1 4 4 LEU CA C 293 57.044 57.044 57.234 -0.190 18097 4035 1 7 . 1 1 4 4 LEU H H 293 7.976 7.976 7.981 -0.005 18097 4036 1 7 . 1 1 5 5 THR N N 294 113.069 113.069 114.210 -1.141 18097 4037 1 7 . 1 1 5 5 THR HA H 294 3.916 3.916 3.703 0.213 18097 4038 1 7 . 1 1 5 5 THR C C 294 176.200 176.200 175.182 1.018 18097 4039 1 7 . 1 1 5 5 THR CA C 294 66.164 66.164 66.294 -0.130 18097 4040 1 7 . 1 1 5 5 THR H H 294 7.535 7.535 7.485 0.050 18097 4041 1 7 . 1 1 6 6 ASP N N 295 119.926 119.926 119.916 0.010 18097 4042 1 7 . 1 1 6 6 ASP HA H 295 4.085 4.085 4.344 -0.259 18097 4043 1 7 . 1 1 6 6 ASP C C 295 177.314 177.314 177.959 -0.645 18097 4044 1 7 . 1 1 6 6 ASP CA C 295 56.808 56.808 56.361 0.447 18097 4045 1 7 . 1 1 6 6 ASP H H 295 7.530 7.530 7.956 -0.426 18097 4046 1 7 . 1 1 7 7 ALA N N 296 121.726 121.726 122.357 -0.631 18097 4047 1 7 . 1 1 7 7 ALA HA H 296 4.109 4.109 3.447 0.662 18097 4048 1 7 . 1 1 7 7 ALA C C 296 178.659 178.659 179.116 -0.457 18097 4049 1 7 . 1 1 7 7 ALA CA C 296 54.655 54.655 53.859 0.796 18097 4050 1 7 . 1 1 7 7 ALA H H 296 7.227 7.227 6.991 0.236 18097 4051 1 7 . 1 1 8 8 ARG N N 297 112.468 112.468 116.477 -4.009 18097 4052 1 7 . 1 1 8 8 ARG C C 297 178.033 178.033 177.955 0.078 18097 4053 1 7 . 1 1 8 8 ARG CA C 297 58.424 58.424 57.880 0.544 18097 4054 1 7 . 1 1 8 8 ARG H H 297 7.370 7.370 7.327 0.043 18097 4055 1 7 . 1 1 9 9 ARG N N 298 118.926 118.926 118.558 0.368 18097 4056 1 7 . 1 1 9 9 ARG HA H 298 3.832 3.832 3.907 -0.075 18097 4057 1 7 . 1 1 9 9 ARG C C 298 176.827 176.827 176.933 -0.106 18097 4058 1 7 . 1 1 9 9 ARG CA C 298 58.289 58.289 58.183 0.106 18097 4059 1 7 . 1 1 9 9 ARG H H 298 7.059 7.059 7.103 -0.044 18097 4060 1 7 . 1 1 10 10 TYR N N 299 118.201 118.201 116.188 2.013 18097 4061 1 7 . 1 1 10 10 TYR HA H 299 4.853 4.853 4.740 0.113 18097 4062 1 7 . 1 1 10 10 TYR C C 299 174.832 174.832 174.363 0.469 18097 4063 1 7 . 1 1 10 10 TYR CA C 299 56.943 56.943 56.130 0.813 18097 4064 1 7 . 1 1 10 10 TYR H H 299 7.800 7.800 7.440 0.360 18097 4065 1 7 . 1 1 11 11 TRP N N 300 123.427 123.427 123.190 0.237 18097 4066 1 7 . 1 1 11 11 TRP HA H 300 4.577 4.577 5.320 -0.743 18097 4067 1 7 . 1 1 11 11 TRP C C 300 177.082 177.082 176.760 0.322 18097 4068 1 7 . 1 1 11 11 TRP CA C 300 58.558 58.558 58.559 -0.001 18097 4069 1 7 . 1 1 11 11 TRP H H 300 7.122 7.122 7.659 -0.537 18097 4070 1 7 . 1 1 13 13 ASP N N 302 122.160 122.160 123.824 -1.664 18097 4071 1 7 . 1 1 13 13 ASP HA H 302 4.605 4.605 4.750 -0.145 18097 4072 1 7 . 1 1 13 13 ASP C C 302 174.786 174.786 175.811 -1.025 18097 4073 1 7 . 1 1 13 13 ASP CA C 302 53.005 53.005 53.983 -0.978 18097 4074 1 7 . 1 1 13 13 ASP H H 302 8.496 8.496 8.588 -0.092 18097 4075 1 7 . 1 1 14 14 VAL N N 303 126.934 126.934 126.388 0.546 18097 4076 1 7 . 1 1 14 14 VAL HA H 303 4.096 4.096 4.171 -0.075 18097 4077 1 7 . 1 1 14 14 VAL C C 303 174.670 174.670 175.549 -0.879 18097 4078 1 7 . 1 1 14 14 VAL CA C 303 62.429 62.429 61.121 1.308 18097 4079 1 7 . 1 1 14 14 VAL H H 303 7.877 7.877 8.094 -0.217 18097 4080 1 7 . 1 1 15 15 THR N N 304 114.829 114.829 118.691 -3.862 18097 4081 1 7 . 1 1 15 15 THR HA H 304 4.536 4.536 4.797 -0.261 18097 4082 1 7 . 1 1 15 15 THR C C 304 173.951 173.951 174.140 -0.189 18097 4083 1 7 . 1 1 15 15 THR CA C 304 58.592 58.592 59.952 -1.359 18097 4084 1 7 . 1 1 15 15 THR H H 304 8.321 8.321 8.275 0.046 18097 4085 1 7 . 1 1 16 16 LEU N N 305 121.392 121.392 125.002 -3.610 18097 4086 1 7 . 1 1 16 16 LEU HA H 305 4.322 4.322 4.502 -0.180 18097 4087 1 7 . 1 1 16 16 LEU C C 305 175.876 175.876 176.890 -1.014 18097 4088 1 7 . 1 1 16 16 LEU CA C 305 54.526 54.526 54.815 -0.288 18097 4089 1 7 . 1 1 16 16 LEU H H 305 8.967 8.967 8.512 0.455 18097 4090 1 7 . 1 1 17 17 ALA N N 306 124.039 124.039 126.095 -2.056 18097 4091 1 7 . 1 1 17 17 ALA HA H 306 4.385 4.385 4.748 -0.363 18097 4092 1 7 . 1 1 17 17 ALA C C 306 177.360 177.360 176.877 0.483 18097 4093 1 7 . 1 1 17 17 ALA CA C 306 50.515 50.515 50.688 -0.173 18097 4094 1 7 . 1 1 17 17 ALA H H 306 8.409 8.409 8.287 0.122 18097 4095 1 7 . 1 1 18 18 THR N N 307 114.041 114.041 116.177 -2.136 18097 4096 1 7 . 1 1 18 18 THR HA H 307 4.398 4.398 4.269 0.129 18097 4097 1 7 . 1 1 18 18 THR C C 307 174.206 174.206 173.799 0.407 18097 4098 1 7 . 1 1 18 18 THR CA C 307 61.722 61.722 62.455 -0.733 18097 4099 1 7 . 1 1 18 18 THR H H 307 8.146 8.146 8.403 -0.257 18097 4100 1 7 . 1 1 19 19 ASN N N 308 119.841 119.841 123.801 -3.960 18097 4101 1 7 . 1 1 19 19 ASN HA H 308 4.687 4.687 4.879 -0.192 18097 4102 1 7 . 1 1 19 19 ASN C C 308 174.577 174.577 174.922 -0.345 18097 4103 1 7 . 1 1 19 19 ASN CA C 308 52.871 52.871 52.197 0.674 18097 4104 1 7 . 1 1 19 19 ASN H H 308 8.470 8.470 8.440 0.030 18097 4105 1 7 . 1 1 38 38 PRO HA H 327 4.207 4.207 4.465 -0.258 18097 4106 1 7 . 1 1 38 38 PRO C C 327 176.641 176.641 177.625 -0.984 18097 4107 1 7 . 1 1 38 38 PRO CA C 327 63.443 63.443 62.317 1.126 18097 4108 1 7 . 1 1 38 38 PRO CB C 327 31.714 31.714 32.378 -0.664 18097 4109 1 7 . 1 1 39 39 GLN N N 328 118.424 118.424 117.208 1.216 18097 4110 1 7 . 1 1 39 39 GLN HA H 328 4.111 4.111 4.269 -0.158 18097 4111 1 7 . 1 1 39 39 GLN C C 328 175.853 175.853 176.072 -0.219 18097 4112 1 7 . 1 1 39 39 GLN CA C 328 56.136 56.136 57.639 -1.503 18097 4113 1 7 . 1 1 39 39 GLN CB C 328 28.981 28.981 29.148 -0.167 18097 4114 1 7 . 1 1 39 39 GLN H H 328 8.139 8.139 8.335 -0.196 18097 4115 1 7 . 1 1 40 40 ILE N N 329 119.966 119.966 113.188 6.778 18097 4116 1 7 . 1 1 40 40 ILE HA H 329 3.998 3.998 3.827 0.171 18097 4117 1 7 . 1 1 40 40 ILE C C 329 175.690 175.690 174.035 1.655 18097 4118 1 7 . 1 1 40 40 ILE CA C 329 60.601 60.601 61.709 -1.107 18097 4119 1 7 . 1 1 40 40 ILE CB C 329 38.274 38.274 38.371 -0.097 18097 4120 1 7 . 1 1 40 40 ILE H H 329 7.688 7.688 7.665 0.023 18097 4121 1 7 . 1 1 41 41 MET N N 330 123.189 123.189 117.936 5.253 18097 4122 1 7 . 1 1 41 41 MET HA H 330 4.286 4.286 4.147 0.139 18097 4123 1 7 . 1 1 41 41 MET C C 330 175.389 175.389 174.725 0.664 18097 4124 1 7 . 1 1 41 41 MET CA C 330 55.046 55.046 56.145 -1.099 18097 4125 1 7 . 1 1 41 41 MET CB C 330 32.499 32.499 30.300 2.199 18097 4126 1 7 . 1 1 41 41 MET H H 330 8.044 8.044 7.976 0.068 18097 4127 1 7 . 1 1 42 42 TYR N N 331 121.297 121.297 114.764 6.533 18097 4128 1 7 . 1 1 42 42 TYR HA H 331 4.398 4.398 4.102 0.296 18097 4129 1 7 . 1 1 42 42 TYR C C 331 174.879 174.879 174.664 0.215 18097 4130 1 7 . 1 1 42 42 TYR CA C 331 57.599 57.599 59.587 -1.988 18097 4131 1 7 . 1 1 42 42 TYR CB C 331 38.825 38.825 36.854 1.971 18097 4132 1 7 . 1 1 42 42 TYR H H 331 8.024 8.024 8.279 -0.255 18097 4133 1 7 . 1 1 43 43 GLN N N 332 122.431 122.431 117.925 4.506 18097 4134 1 7 . 1 1 43 43 GLN HA H 332 4.148 4.148 3.996 0.152 18097 4135 1 7 . 1 1 43 43 GLN C C 332 174.345 174.345 175.836 -1.491 18097 4136 1 7 . 1 1 43 43 GLN CA C 332 54.714 54.714 55.907 -1.193 18097 4137 1 7 . 1 1 43 43 GLN CB C 332 29.741 29.741 30.189 -0.449 18097 4138 1 7 . 1 1 43 43 GLN H H 332 7.894 7.894 7.470 0.424 18097 4139 1 7 . 1 1 44 44 ALA N N 333 126.670 126.670 125.203 1.467 18097 4140 1 7 . 1 1 44 44 ALA HA H 333 4.367 4.367 4.107 0.260 18097 4141 1 7 . 1 1 44 44 ALA C C 333 175.459 175.459 176.462 -1.003 18097 4142 1 7 . 1 1 44 44 ALA CA C 333 50.358 50.358 51.904 -1.546 18097 4143 1 7 . 1 1 44 44 ALA CB C 333 17.603 17.603 18.201 -0.598 18097 4144 1 7 . 1 1 44 44 ALA H H 333 8.141 8.141 7.632 0.509 18097 4145 1 7 . 1 1 45 45 PRO HA H 334 4.273 4.273 4.230 0.043 18097 4146 1 7 . 1 1 45 45 PRO CA C 334 63.318 63.318 62.925 0.393 18097 4147 1 7 . 1 1 45 45 PRO CB C 334 31.697 31.697 30.907 0.790 18097 4148 1 7 . 1 1 46 46 GLY N N 335 109.630 109.630 107.270 2.360 18097 4149 1 7 . 1 1 46 46 GLY C C 335 174.322 174.322 175.043 -0.721 18097 4150 1 7 . 1 1 46 46 GLY CA C 335 45.255 45.255 45.496 -0.241 18097 4151 1 7 . 1 1 46 46 GLY H H 335 8.478 8.478 8.224 0.254 18097 4152 1 7 . 1 1 47 47 THR N N 336 113.015 113.015 117.998 -4.983 18097 4153 1 7 . 1 1 47 47 THR HA H 336 4.210 4.210 4.451 -0.241 18097 4154 1 7 . 1 1 47 47 THR C C 336 174.067 174.067 174.760 -0.693 18097 4155 1 7 . 1 1 47 47 THR CA C 336 61.547 61.547 63.943 -2.396 18097 4156 1 7 . 1 1 47 47 THR CB C 336 69.516 69.516 69.559 -0.043 18097 4157 1 7 . 1 1 47 47 THR H H 336 7.734 7.734 8.187 -0.453 18097 4158 1 7 . 1 1 48 48 LEU N N 337 123.635 123.635 116.145 7.490 18097 4159 1 7 . 1 1 48 48 LEU HA H 337 4.152 4.152 4.053 0.099 18097 4160 1 7 . 1 1 48 48 LEU C C 337 176.618 176.618 177.310 -0.692 18097 4161 1 7 . 1 1 48 48 LEU CA C 337 55.025 55.025 56.608 -1.583 18097 4162 1 7 . 1 1 48 48 LEU CB C 337 42.098 42.098 40.432 1.666 18097 4163 1 7 . 1 1 48 48 LEU H H 337 8.087 8.087 7.804 0.283 18097 4164 1 7 . 1 1 49 49 PHE N N 338 120.255 120.255 118.630 1.625 18097 4165 1 7 . 1 1 49 49 PHE HA H 338 4.496 4.496 4.448 0.048 18097 4166 1 7 . 1 1 49 49 PHE C C 338 175.227 175.227 176.596 -1.369 18097 4167 1 7 . 1 1 49 49 PHE CA C 338 57.234 57.234 60.748 -3.514 18097 4168 1 7 . 1 1 49 49 PHE CB C 338 39.290 39.290 38.874 0.416 18097 4169 1 7 . 1 1 49 49 PHE H H 338 8.017 8.017 8.596 -0.579 18097 4170 1 7 . 1 1 50 50 THR N N 339 115.141 115.141 112.589 2.552 18097 4171 1 7 . 1 1 50 50 THR HA H 339 4.137 4.137 4.075 0.062 18097 4172 1 7 . 1 1 50 50 THR C C 339 173.255 173.255 174.133 -0.878 18097 4173 1 7 . 1 1 50 50 THR CA C 339 61.244 61.244 63.771 -2.527 18097 4174 1 7 . 1 1 50 50 THR CB C 339 69.643 69.643 67.668 1.975 18097 4175 1 7 . 1 1 50 50 THR H H 339 7.741 7.741 8.086 -0.345 18097 4176 1 7 . 1 1 51 51 PHE N N 340 122.603 122.603 114.194 8.409 18097 4177 1 7 . 1 1 51 51 PHE HA H 340 4.571 4.571 4.780 -0.209 18097 4178 1 7 . 1 1 51 51 PHE C C 340 173.858 173.858 172.609 1.249 18097 4179 1 7 . 1 1 51 51 PHE CA C 340 56.874 56.874 55.103 1.771 18097 4180 1 7 . 1 1 51 51 PHE CB C 340 39.250 39.250 37.584 1.666 18097 4181 1 7 . 1 1 51 51 PHE H H 340 7.996 7.996 7.178 0.818 18097 4182 1 7 . 1 1 52 52 PRO HA H 341 4.278 4.278 4.128 0.150 18097 4183 1 7 . 1 1 52 52 PRO CA C 341 63.297 63.297 63.526 -0.229 18097 4184 1 7 . 1 1 52 52 PRO CB C 341 31.190 31.190 30.698 0.492 18097 4185 1 7 . 1 1 53 53 SER N N 342 114.918 114.918 118.094 -3.176 18097 4186 1 7 . 1 1 53 53 SER HA H 342 4.334 4.334 4.289 0.045 18097 4187 1 7 . 1 1 53 53 SER C C 342 174.508 174.508 175.915 -1.407 18097 4188 1 7 . 1 1 53 53 SER CA C 342 58.019 58.019 61.087 -3.068 18097 4189 1 7 . 1 1 53 53 SER CB C 342 63.587 63.587 63.307 0.280 18097 4190 1 7 . 1 1 53 53 SER H H 342 8.119 8.119 8.033 0.086 18097 4191 1 7 . 1 1 54 54 LEU N N 343 123.426 123.426 114.160 9.266 18097 4192 1 7 . 1 1 54 54 LEU HA H 343 4.307 4.307 4.191 0.116 18097 4193 1 7 . 1 1 54 54 LEU C C 343 177.314 177.314 177.922 -0.608 18097 4194 1 7 . 1 1 54 54 LEU CA C 343 55.224 55.224 56.973 -1.749 18097 4195 1 7 . 1 1 54 54 LEU CB C 343 41.934 41.934 41.563 0.370 18097 4196 1 7 . 1 1 54 54 LEU H H 343 8.180 8.180 7.681 0.499 18097 4197 1 7 . 1 1 55 55 THR N N 344 112.921 112.921 110.912 2.009 18097 4198 1 7 . 1 1 55 55 THR HA H 344 4.144 4.144 4.353 -0.209 18097 4199 1 7 . 1 1 55 55 THR C C 344 173.928 173.928 173.817 0.111 18097 4200 1 7 . 1 1 55 55 THR CA C 344 61.565 61.565 62.597 -1.032 18097 4201 1 7 . 1 1 55 55 THR CB C 344 69.396 69.396 70.473 -1.077 18097 4202 1 7 . 1 1 55 55 THR H H 344 7.911 7.911 8.011 -0.100 18097 4203 1 7 . 1 1 56 56 ASN N N 345 119.978 119.978 120.708 -0.730 18097 4204 1 7 . 1 1 56 56 ASN HA H 345 4.482 4.482 4.179 0.303 18097 4205 1 7 . 1 1 56 56 ASN C C 345 174.137 174.137 175.655 -1.518 18097 4206 1 7 . 1 1 56 56 ASN CA C 345 52.938 52.938 55.287 -2.349 18097 4207 1 7 . 1 1 56 56 ASN CB C 345 38.110 38.110 37.032 1.078 18097 4208 1 7 . 1 1 56 56 ASN H H 345 8.097 8.097 8.704 -0.607 18097 4209 1 7 . 1 1 57 57 PHE N N 346 120.030 120.030 117.650 2.380 18097 4210 1 7 . 1 1 57 57 PHE HA H 346 4.482 4.482 3.953 0.529 18097 4211 1 7 . 1 1 57 57 PHE C C 346 174.693 174.693 175.544 -0.851 18097 4212 1 7 . 1 1 57 57 PHE CA C 346 57.381 57.381 60.455 -3.074 18097 4213 1 7 . 1 1 57 57 PHE CB C 346 39.313 39.313 38.230 1.083 18097 4214 1 7 . 1 1 57 57 PHE H H 346 7.919 7.919 8.694 -0.775 18097 4215 1 7 . 1 1 58 58 ASN N N 347 125.759 125.759 117.881 7.878 18097 4216 1 7 . 1 1 58 58 ASN CA C 347 57.145 57.145 54.195 2.950 18097 4217 1 7 . 1 1 58 58 ASN H H 347 7.656 7.656 8.567 -0.911 18097 4218 1 7 . 1 1 64 64 LEU N N 353 120.532 120.532 120.625 -0.093 18097 4219 1 7 . 1 1 64 64 LEU HA H 353 4.398 4.398 5.377 -0.979 18097 4220 1 7 . 1 1 64 64 LEU C C 353 178.380 178.380 177.232 1.148 18097 4221 1 7 . 1 1 64 64 LEU CA C 353 51.933 51.933 52.345 -0.412 18097 4222 1 7 . 1 1 64 64 LEU H H 353 8.518 8.518 8.763 -0.245 18097 4223 1 7 . 1 1 65 65 GLY N N 354 102.514 102.514 106.701 -4.187 18097 4224 1 7 . 1 1 65 65 GLY C C 354 172.884 172.884 174.689 -1.805 18097 4225 1 7 . 1 1 65 65 GLY CA C 354 44.491 44.491 45.018 -0.527 18097 4226 1 7 . 1 1 65 65 GLY H H 354 8.051 8.051 8.115 -0.064 18097 4227 1 7 . 1 1 66 66 SER N N 355 113.869 113.869 113.670 0.199 18097 4228 1 7 . 1 1 66 66 SER HA H 355 4.015 4.015 4.273 -0.258 18097 4229 1 7 . 1 1 66 66 SER C C 355 174.276 174.276 175.002 -0.726 18097 4230 1 7 . 1 1 66 66 SER CA C 355 59.770 59.770 59.661 0.109 18097 4231 1 7 . 1 1 66 66 SER H H 355 8.724 8.724 8.489 0.235 18097 4232 1 7 . 1 1 67 67 GLN N N 356 121.985 121.985 120.623 1.362 18097 4233 1 7 . 1 1 67 67 GLN HA H 356 4.474 4.474 4.660 -0.186 18097 4234 1 7 . 1 1 67 67 GLN C C 356 173.905 173.905 174.566 -0.661 18097 4235 1 7 . 1 1 67 67 GLN CA C 356 54.655 54.655 54.508 0.147 18097 4236 1 7 . 1 1 67 67 GLN H H 356 7.995 7.995 8.005 -0.010 18097 4237 1 7 . 1 1 68 68 SER N N 357 118.695 118.695 117.109 1.586 18097 4238 1 7 . 1 1 68 68 SER HA H 357 4.852 4.852 3.702 1.150 18097 4239 1 7 . 1 1 68 68 SER C C 357 173.835 173.835 173.767 0.068 18097 4240 1 7 . 1 1 68 68 SER CA C 357 56.472 56.472 56.746 -0.274 18097 4241 1 7 . 1 1 68 68 SER H H 357 8.145 8.145 8.498 -0.353 18097 4242 1 7 . 1 1 69 69 ILE N N 358 123.370 123.370 122.051 1.319 18097 4243 1 7 . 1 1 69 69 ILE C C 358 175.018 175.018 174.562 0.456 18097 4244 1 7 . 1 1 69 69 ILE CA C 358 60.780 60.780 60.660 0.120 18097 4245 1 7 . 1 1 69 69 ILE H H 358 8.813 8.813 8.136 0.677 18097 4246 1 7 . 1 1 70 70 THR N N 359 113.324 113.324 116.583 -3.259 18097 4247 1 7 . 1 1 70 70 THR HA H 359 3.967 3.967 3.448 0.519 18097 4248 1 7 . 1 1 70 70 THR C C 359 172.026 172.026 173.012 -0.986 18097 4249 1 7 . 1 1 70 70 THR CA C 359 59.366 59.366 60.019 -0.653 18097 4250 1 7 . 1 1 70 70 THR H H 359 8.250 8.250 8.410 -0.160 18097 4251 1 7 . 1 1 71 71 SER N N 360 111.494 111.494 113.771 -2.277 18097 4252 1 7 . 1 1 71 71 SER HA H 360 4.085 4.085 4.450 -0.365 18097 4253 1 7 . 1 1 71 71 SER C C 360 173.835 173.835 173.630 0.205 18097 4254 1 7 . 1 1 71 71 SER CA C 360 57.818 57.818 58.347 -0.529 18097 4255 1 7 . 1 1 71 71 SER H H 360 6.964 6.964 7.047 -0.083 18097 4256 1 7 . 1 1 72 72 GLY N N 361 112.909 112.909 108.290 4.619 18097 4257 1 7 . 1 1 72 72 GLY C C 361 171.400 171.400 172.520 -1.120 18097 4258 1 7 . 1 1 72 72 GLY CA C 361 45.265 45.265 44.899 0.366 18097 4259 1 7 . 1 1 72 72 GLY H H 361 10.408 10.408 8.594 1.814 18097 4260 1 7 . 1 1 73 73 LYS N N 362 118.005 118.005 120.388 -2.383 18097 4261 1 7 . 1 1 73 73 LYS C C 362 175.366 175.366 175.565 -0.199 18097 4262 1 7 . 1 1 73 73 LYS CA C 362 54.621 54.621 55.292 -0.671 18097 4263 1 7 . 1 1 73 73 LYS H H 362 7.310 7.310 8.054 -0.744 18097 4264 1 7 . 1 1 74 74 HIS N N 363 118.405 118.405 119.364 -0.959 18097 4265 1 7 . 1 1 74 74 HIS HA H 363 4.880 4.880 5.387 -0.507 18097 4266 1 7 . 1 1 74 74 HIS C C 363 172.467 172.467 173.461 -0.994 18097 4267 1 7 . 1 1 74 74 HIS CA C 363 56.371 56.371 55.040 1.331 18097 4268 1 7 . 1 1 74 74 HIS H H 363 8.399 8.399 8.689 -0.290 18097 4269 1 7 . 1 1 75 75 TYR N N 364 125.182 125.182 124.078 1.104 18097 4270 1 7 . 1 1 75 75 TYR C C 364 172.852 172.852 172.978 -0.126 18097 4271 1 7 . 1 1 75 75 TYR CA C 364 55.361 55.361 56.277 -0.916 18097 4272 1 7 . 1 1 75 75 TYR H H 364 8.153 8.153 8.793 -0.640 18097 4273 1 7 . 1 1 76 76 TRP N N 365 123.210 123.210 124.042 -0.832 18097 4274 1 7 . 1 1 76 76 TRP C C 365 171.510 171.510 172.886 -1.376 18097 4275 1 7 . 1 1 76 76 TRP CA C 365 57.549 57.549 55.716 1.833 18097 4276 1 7 . 1 1 76 76 TRP H H 365 7.621 7.621 7.586 0.035 18097 4277 1 7 . 1 1 78 78 VAL N N 367 122.416 122.416 121.847 0.569 18097 4278 1 7 . 1 1 78 78 VAL HA H 367 4.756 4.756 4.745 0.011 18097 4279 1 7 . 1 1 78 78 VAL C C 367 174.461 174.461 174.146 0.315 18097 4280 1 7 . 1 1 78 78 VAL CA C 367 60.208 60.208 61.009 -0.801 18097 4281 1 7 . 1 1 78 78 VAL H H 367 8.910 8.910 8.957 -0.047 18097 4282 1 7 . 1 1 79 79 ASP N N 368 128.257 128.257 127.353 0.904 18097 4283 1 7 . 1 1 79 79 ASP C C 368 175.343 175.343 175.603 -0.260 18097 4284 1 7 . 1 1 79 79 ASP CA C 368 53.914 53.914 53.110 0.804 18097 4285 1 7 . 1 1 79 79 ASP H H 368 9.795 9.795 9.116 0.679 18097 4286 1 7 . 1 1 80 80 VAL N N 369 118.519 118.519 120.018 -1.499 18097 4287 1 7 . 1 1 80 80 VAL C C 369 176.131 176.131 175.338 0.793 18097 4288 1 7 . 1 1 80 80 VAL CA C 369 59.027 59.027 60.525 -1.498 18097 4289 1 7 . 1 1 80 80 VAL H H 369 8.394 8.394 7.710 0.684 18097 4290 1 7 . 1 1 81 81 SER N N 370 123.584 123.584 119.857 3.727 18097 4291 1 7 . 1 1 81 81 SER C C 370 174.829 174.829 174.848 -0.019 18097 4292 1 7 . 1 1 81 81 SER CA C 370 61.285 61.285 59.757 1.528 18097 4293 1 7 . 1 1 81 81 SER H H 370 8.754 8.754 8.477 0.277 18097 4294 1 7 . 1 1 82 82 LYS N N 371 115.025 115.025 120.232 -5.207 18097 4295 1 7 . 1 1 82 82 LYS C C 371 175.922 175.922 175.706 0.216 18097 4296 1 7 . 1 1 82 82 LYS CA C 371 58.222 58.222 57.764 0.458 18097 4297 1 7 . 1 1 82 82 LYS H H 371 8.789 8.789 8.941 -0.152 18097 4298 1 7 . 1 1 83 83 LYS N N 372 117.904 117.904 119.804 -1.900 18097 4299 1 7 . 1 1 83 83 LYS C C 372 177.824 177.824 177.366 0.458 18097 4300 1 7 . 1 1 83 83 LYS CA C 372 57.784 57.784 56.246 1.538 18097 4301 1 7 . 1 1 83 83 LYS H H 372 7.825 7.825 7.542 0.283 18097 4302 1 7 . 1 1 84 84 SER N N 373 122.569 122.569 116.760 5.809 18097 4303 1 7 . 1 1 84 84 SER HA H 373 4.348 4.348 4.504 -0.156 18097 4304 1 7 . 1 1 84 84 SER C C 373 172.270 172.270 173.049 -0.779 18097 4305 1 7 . 1 1 84 84 SER CA C 373 58.996 58.996 58.145 0.851 18097 4306 1 7 . 1 1 84 84 SER H H 373 9.839 9.839 8.645 1.194 18097 4307 1 7 . 1 1 85 85 ALA N N 374 120.821 120.821 120.807 0.014 18097 4308 1 7 . 1 1 85 85 ALA C C 374 174.253 174.253 174.835 -0.582 18097 4309 1 7 . 1 1 85 85 ALA CA C 374 51.020 51.020 51.694 -0.674 18097 4310 1 7 . 1 1 85 85 ALA H H 374 7.130 7.130 7.398 -0.268 18097 4311 1 7 . 1 1 86 86 TRP N N 375 109.378 109.378 116.030 -6.652 18097 4312 1 7 . 1 1 86 86 TRP C C 375 176.096 176.096 173.289 2.807 18097 4313 1 7 . 1 1 86 86 TRP CA C 375 56.909 56.909 56.512 0.397 18097 4314 1 7 . 1 1 86 86 TRP H H 375 7.876 7.876 7.679 0.197 18097 4315 1 7 . 1 1 87 87 ILE N N 376 118.409 118.409 121.665 -3.256 18097 4316 1 7 . 1 1 87 87 ILE C C 376 175.405 175.405 174.837 0.568 18097 4317 1 7 . 1 1 87 87 ILE CA C 376 60.679 60.679 59.891 0.788 18097 4318 1 7 . 1 1 87 87 ILE H H 376 9.270 9.270 9.173 0.097 18097 4319 1 7 . 1 1 88 88 LEU N N 377 122.952 122.952 121.951 1.001 18097 4320 1 7 . 1 1 88 88 LEU C C 377 174.967 174.967 175.969 -1.002 18097 4321 1 7 . 1 1 88 88 LEU CA C 377 54.520 54.520 53.223 1.297 18097 4322 1 7 . 1 1 88 88 LEU H H 377 9.422 9.422 8.662 0.760 18097 4323 1 7 . 1 1 89 89 GLY N N 378 103.446 103.446 107.838 -4.392 18097 4324 1 7 . 1 1 89 89 GLY C C 378 171.976 171.976 172.941 -0.965 18097 4325 1 7 . 1 1 89 89 GLY CA C 378 47.251 47.251 46.678 0.573 18097 4326 1 7 . 1 1 89 89 GLY H H 378 8.366 8.366 8.737 -0.371 18097 4327 1 7 . 1 1 90 90 VAL N N 379 130.348 130.348 121.353 8.995 18097 4328 1 7 . 1 1 90 90 VAL HA H 379 4.164 4.164 5.183 -1.019 18097 4329 1 7 . 1 1 90 90 VAL C C 379 172.847 172.847 173.993 -1.146 18097 4330 1 7 . 1 1 90 90 VAL CA C 379 60.477 60.477 61.244 -0.767 18097 4331 1 7 . 1 1 90 90 VAL H H 379 9.224 9.224 8.546 0.678 18097 4332 1 7 . 1 1 91 91 CYS N N 380 122.658 122.658 123.387 -0.729 18097 4333 1 7 . 1 1 91 91 CYS C C 380 173.630 173.630 173.585 0.045 18097 4334 1 7 . 1 1 91 91 CYS CA C 380 55.429 55.429 55.990 -0.561 18097 4335 1 7 . 1 1 91 91 CYS H H 380 9.398 9.398 9.390 0.008 18097 4336 1 7 . 1 1 92 92 ALA N N 381 127.998 127.998 125.338 2.660 18097 4337 1 7 . 1 1 92 92 ALA HA H 381 5.049 5.049 5.128 -0.079 18097 4338 1 7 . 1 1 92 92 ALA C C 381 176.479 176.479 176.414 0.065 18097 4339 1 7 . 1 1 92 92 ALA CA C 381 52.400 52.400 51.169 1.231 18097 4340 1 7 . 1 1 92 92 ALA H H 381 9.478 9.478 8.006 1.472 18097 4341 1 7 . 1 1 93 93 GLY N N 382 108.533 108.533 105.701 2.832 18097 4342 1 7 . 1 1 93 93 GLY C C 382 173.580 173.580 173.008 0.572 18097 4343 1 7 . 1 1 93 93 GLY CA C 382 43.212 43.212 44.231 -1.019 18097 4344 1 7 . 1 1 93 93 GLY H H 382 8.194 8.194 7.259 0.935 18097 4345 1 7 . 1 1 94 94 PHE N N 383 116.476 116.476 118.441 -1.965 18097 4346 1 7 . 1 1 94 94 PHE HA H 383 4.536 4.536 4.978 -0.442 18097 4347 1 7 . 1 1 94 94 PHE C C 383 178.079 178.079 176.864 1.215 18097 4348 1 7 . 1 1 94 94 PHE CA C 383 56.627 56.627 56.423 0.204 18097 4349 1 7 . 1 1 94 94 PHE H H 383 8.290 8.290 8.265 0.025 18097 4350 1 7 . 1 1 105 105 ASN N N 394 112.033 112.033 116.732 -4.699 18097 4351 1 7 . 1 1 105 105 ASN HA H 394 4.715 4.715 4.893 -0.178 18097 4352 1 7 . 1 1 105 105 ASN C C 394 173.835 173.835 173.715 0.120 18097 4353 1 7 . 1 1 105 105 ASN CA C 394 51.929 51.929 52.410 -0.481 18097 4354 1 7 . 1 1 105 105 ASN H H 394 6.912 6.912 7.651 -0.739 18097 4355 1 7 . 1 1 106 106 GLU N N 395 117.585 117.585 116.407 1.178 18097 4356 1 7 . 1 1 106 106 GLU C C 395 175.574 175.574 175.036 0.538 18097 4357 1 7 . 1 1 106 106 GLU CA C 395 56.808 56.808 57.031 -0.223 18097 4358 1 7 . 1 1 106 106 GLU H H 395 7.354 7.354 7.694 -0.340 18097 4359 1 7 . 1 1 107 107 ASN N N 396 118.664 118.664 118.182 0.482 18097 4360 1 7 . 1 1 107 107 ASN HA H 396 4.536 4.536 4.659 -0.123 18097 4361 1 7 . 1 1 107 107 ASN C C 396 173.441 173.441 173.685 -0.244 18097 4362 1 7 . 1 1 107 107 ASN CA C 396 50.448 50.448 51.544 -1.096 18097 4363 1 7 . 1 1 107 107 ASN H H 396 8.082 8.082 7.530 0.552 18097 4364 1 7 . 1 1 108 108 TYR N N 397 117.301 117.301 120.809 -3.508 18097 4365 1 7 . 1 1 108 108 TYR HA H 397 4.605 4.605 3.910 0.695 18097 4366 1 7 . 1 1 108 108 TYR C C 397 173.186 173.186 174.726 -1.540 18097 4367 1 7 . 1 1 108 108 TYR CA C 397 55.530 55.530 58.281 -2.751 18097 4368 1 7 . 1 1 108 108 TYR H H 397 6.101 6.101 7.180 -1.079 18097 4369 1 7 . 1 1 109 109 GLN N N 398 114.934 114.934 120.918 -5.984 18097 4370 1 7 . 1 1 109 109 GLN C C 398 175.064 175.064 174.075 0.989 18097 4371 1 7 . 1 1 109 109 GLN CA C 398 53.241 53.241 52.771 0.470 18097 4372 1 7 . 1 1 109 109 GLN H H 398 6.115 6.115 8.378 -2.263 18097 4373 1 7 . 1 1 111 111 LYS N N 400 120.723 120.723 115.163 5.560 18097 4374 1 7 . 1 1 111 111 LYS HA H 400 4.068 4.068 4.040 0.028 18097 4375 1 7 . 1 1 111 111 LYS C C 400 177.244 177.244 177.271 -0.027 18097 4376 1 7 . 1 1 111 111 LYS CA C 400 58.289 58.289 58.129 0.160 18097 4377 1 7 . 1 1 111 111 LYS H H 400 10.775 10.775 7.990 2.785 18097 4378 1 7 . 1 1 112 112 TYR N N 401 120.182 120.182 117.441 2.741 18097 4379 1 7 . 1 1 112 112 TYR HA H 401 3.612 3.612 4.589 -0.977 18097 4380 1 7 . 1 1 112 112 TYR C C 401 175.853 175.853 174.860 0.993 18097 4381 1 7 . 1 1 112 112 TYR CA C 401 53.847 53.847 56.212 -2.365 18097 4382 1 7 . 1 1 112 112 TYR H H 401 7.647 7.647 7.522 0.125 18097 4383 1 7 . 1 1 113 113 GLY N N 402 107.764 107.764 106.506 1.258 18097 4384 1 7 . 1 1 113 113 GLY C C 402 171.679 171.679 172.419 -0.740 18097 4385 1 7 . 1 1 113 113 GLY CA C 402 45.972 45.972 44.829 1.143 18097 4386 1 7 . 1 1 113 113 GLY H H 402 8.057 8.057 7.048 1.009 18097 4387 1 7 . 1 1 114 114 TYR N N 403 115.659 115.659 118.472 -2.813 18097 4388 1 7 . 1 1 114 114 TYR C C 403 173.013 173.013 174.843 -1.830 18097 4389 1 7 . 1 1 114 114 TYR CA C 403 57.515 57.515 56.695 0.820 18097 4390 1 7 . 1 1 114 114 TYR H H 403 6.585 6.585 7.054 -0.469 18097 4391 1 7 . 1 1 115 115 TRP N N 404 125.437 125.437 127.027 -1.590 18097 4392 1 7 . 1 1 115 115 TRP C C 404 175.405 175.405 174.542 0.863 18097 4393 1 7 . 1 1 115 115 TRP CA C 404 57.650 57.650 55.850 1.800 18097 4394 1 7 . 1 1 115 115 TRP H H 404 8.420 8.420 9.072 -0.652 18097 4395 1 7 . 1 1 116 116 VAL N N 405 116.317 116.317 116.427 -0.110 18097 4396 1 7 . 1 1 116 116 VAL C C 405 174.368 174.368 174.069 0.299 18097 4397 1 7 . 1 1 116 116 VAL CA C 405 58.525 58.525 59.230 -0.705 18097 4398 1 7 . 1 1 116 116 VAL H H 405 9.825 9.825 7.766 2.059 18097 4399 1 7 . 1 1 117 117 ILE N N 406 110.464 110.464 114.357 -3.893 18097 4400 1 7 . 1 1 117 117 ILE C C 406 174.879 174.879 174.522 0.357 18097 4401 1 7 . 1 1 117 117 ILE CA C 406 58.929 58.929 58.720 0.209 18097 4402 1 7 . 1 1 117 117 ILE H H 406 8.268 8.268 8.529 -0.261 18097 4403 1 7 . 1 1 118 118 GLY N N 407 105.424 105.424 108.422 -2.998 18097 4404 1 7 . 1 1 118 118 GLY C C 407 169.418 169.418 170.971 -1.553 18097 4405 1 7 . 1 1 118 118 GLY CA C 407 45.770 45.770 43.717 2.053 18097 4406 1 7 . 1 1 118 118 GLY H H 407 9.115 9.115 8.907 0.208 18097 4407 1 7 . 1 1 119 119 LEU N N 408 118.628 118.628 119.914 -1.286 18097 4408 1 7 . 1 1 119 119 LEU C C 408 176.224 176.224 173.939 2.285 18097 4409 1 7 . 1 1 119 119 LEU CA C 408 52.265 52.265 52.444 -0.179 18097 4410 1 7 . 1 1 119 119 LEU H H 408 7.892 7.892 7.417 0.475 18097 4411 1 7 . 1 1 120 120 GLN N N 409 123.541 123.541 124.151 -0.610 18097 4412 1 7 . 1 1 120 120 GLN HA H 409 4.233 4.233 4.727 -0.494 18097 4413 1 7 . 1 1 120 120 GLN C C 409 173.000 173.000 175.171 -2.171 18097 4414 1 7 . 1 1 120 120 GLN CA C 409 54.284 54.284 54.608 -0.324 18097 4415 1 7 . 1 1 120 120 GLN H H 409 8.375 8.375 8.449 -0.074 18097 4416 1 7 . 1 1 121 121 GLU N N 410 117.179 117.179 120.601 -3.422 18097 4417 1 7 . 1 1 121 121 GLU C C 410 176.800 176.800 176.347 0.453 18097 4418 1 7 . 1 1 121 121 GLU CA C 410 56.809 56.809 57.183 -0.374 18097 4419 1 7 . 1 1 121 121 GLU H H 410 8.864 8.864 9.162 -0.298 18097 4420 1 7 . 1 1 125 125 TYR N N 414 128.783 128.783 123.405 5.378 18097 4421 1 7 . 1 1 125 125 TYR HA H 414 5.192 5.192 5.333 -0.141 18097 4422 1 7 . 1 1 125 125 TYR C C 414 176.827 176.827 176.301 0.526 18097 4423 1 7 . 1 1 125 125 TYR CA C 414 57.212 57.212 57.821 -0.609 18097 4424 1 7 . 1 1 125 125 TYR H H 414 9.145 9.145 8.491 0.654 18097 4425 1 7 . 1 1 126 126 SER N N 415 117.388 117.388 114.676 2.712 18097 4426 1 7 . 1 1 126 126 SER HA H 415 5.049 5.049 5.063 -0.014 18097 4427 1 7 . 1 1 126 126 SER C C 415 170.913 170.913 172.032 -1.119 18097 4428 1 7 . 1 1 126 126 SER CA C 415 57.482 57.482 58.248 -0.766 18097 4429 1 7 . 1 1 126 126 SER H H 415 9.192 9.192 9.103 0.089 18097 4430 1 7 . 1 1 127 127 VAL N N 416 119.557 119.557 121.333 -1.776 18097 4431 1 7 . 1 1 127 127 VAL C C 416 172.653 172.653 174.027 -1.374 18097 4432 1 7 . 1 1 127 127 VAL CA C 416 59.703 59.703 60.034 -0.331 18097 4433 1 7 . 1 1 127 127 VAL H H 416 8.761 8.761 8.758 0.003 18097 4434 1 7 . 1 1 128 128 PHE N N 417 127.341 127.341 129.653 -2.312 18097 4435 1 7 . 1 1 128 128 PHE HA H 417 4.267 4.267 4.687 -0.420 18097 4436 1 7 . 1 1 128 128 PHE C C 417 174.925 174.925 175.010 -0.085 18097 4437 1 7 . 1 1 128 128 PHE CA C 417 58.458 58.458 59.255 -0.797 18097 4438 1 7 . 1 1 128 128 PHE H H 417 7.150 7.150 8.376 -1.226 18097 4439 1 7 . 1 1 129 129 GLN N N 418 122.834 122.834 121.136 1.698 18097 4440 1 7 . 1 1 129 129 GLN HA H 418 4.125 4.125 4.756 -0.631 18097 4441 1 7 . 1 1 129 129 GLN C C 418 176.038 176.038 175.060 0.978 18097 4442 1 7 . 1 1 129 129 GLN CA C 418 53.679 53.679 53.930 -0.251 18097 4443 1 7 . 1 1 129 129 GLN H H 418 8.693 8.693 7.719 0.974 18097 4444 1 7 . 1 1 130 130 ASP N N 419 119.994 119.994 120.370 -0.376 18097 4445 1 7 . 1 1 130 130 ASP HA H 419 4.964 4.964 4.694 0.270 18097 4446 1 7 . 1 1 130 130 ASP C C 419 178.218 178.218 176.702 1.516 18097 4447 1 7 . 1 1 130 130 ASP CA C 419 54.991 54.991 55.429 -0.438 18097 4448 1 7 . 1 1 130 130 ASP H H 419 8.425 8.425 8.504 -0.079 18097 4449 1 7 . 1 1 131 131 GLY N N 420 107.499 107.499 109.451 -1.952 18097 4450 1 7 . 1 1 131 131 GLY C C 420 174.415 174.415 173.533 0.882 18097 4451 1 7 . 1 1 131 131 GLY CA C 420 44.735 44.735 43.572 1.163 18097 4452 1 7 . 1 1 131 131 GLY H H 420 8.112 8.112 9.116 -1.004 18097 4453 1 7 . 1 1 132 132 SER N N 421 115.128 115.128 114.601 0.527 18097 4454 1 7 . 1 1 132 132 SER C C 421 176.177 176.177 176.512 -0.335 18097 4455 1 7 . 1 1 132 132 SER CA C 421 57.515 57.515 58.084 -0.569 18097 4456 1 7 . 1 1 132 132 SER H H 421 8.016 8.016 8.594 -0.578 18097 4457 1 7 . 1 1 137 137 PHE N N 426 115.968 115.968 115.752 0.216 18097 4458 1 7 . 1 1 137 137 PHE HA H 426 4.525 4.525 4.592 -0.067 18097 4459 1 7 . 1 1 137 137 PHE C C 426 173.511 173.511 175.021 -1.510 18097 4460 1 7 . 1 1 137 137 PHE CA C 426 56.707 56.707 57.679 -0.972 18097 4461 1 7 . 1 1 137 137 PHE H H 426 7.817 7.817 7.662 0.155 18097 4462 1 7 . 1 1 138 138 ALA N N 427 124.435 124.435 121.095 3.340 18097 4463 1 7 . 1 1 138 138 ALA HA H 427 4.219 4.219 4.836 -0.617 18097 4464 1 7 . 1 1 138 138 ALA C C 427 173.835 173.835 174.309 -0.474 18097 4465 1 7 . 1 1 138 138 ALA CA C 427 48.933 48.933 49.452 -0.519 18097 4466 1 7 . 1 1 138 138 ALA H H 427 7.451 7.451 7.644 -0.193 18097 4467 1 7 . 1 1 140 140 PHE N N 429 122.819 122.819 121.933 0.886 18097 4468 1 7 . 1 1 140 140 PHE HA H 429 4.795 4.795 4.736 0.059 18097 4469 1 7 . 1 1 140 140 PHE C C 429 173.232 173.232 174.711 -1.479 18097 4470 1 7 . 1 1 140 140 PHE CA C 429 55.556 55.556 55.764 -0.208 18097 4471 1 7 . 1 1 140 140 PHE H H 429 8.009 8.009 8.102 -0.093 18097 4472 1 7 . 1 1 141 141 ILE N N 430 127.916 127.916 124.616 3.300 18097 4473 1 7 . 1 1 141 141 ILE HA H 430 3.992 3.992 3.702 0.290 18097 4474 1 7 . 1 1 141 141 ILE C C 430 175.459 175.459 175.521 -0.062 18097 4475 1 7 . 1 1 141 141 ILE CA C 430 60.443 60.443 62.234 -1.791 18097 4476 1 7 . 1 1 141 141 ILE H H 430 8.069 8.069 7.685 0.384 18097 4477 1 7 . 1 1 142 142 VAL N N 431 131.283 131.283 127.442 3.841 18097 4478 1 7 . 1 1 142 142 VAL HA H 431 4.261 4.261 4.306 -0.045 18097 4479 1 7 . 1 1 142 142 VAL C C 431 173.580 173.580 173.806 -0.226 18097 4480 1 7 . 1 1 142 142 VAL CA C 431 58.828 58.828 58.497 0.331 18097 4481 1 7 . 1 1 142 142 VAL H H 431 8.332 8.332 8.216 0.116 18097 4482 1 7 . 1 1 145 145 SER N N 434 121.965 121.965 118.618 3.347 18097 4483 1 7 . 1 1 145 145 SER C C 434 174.529 174.529 174.092 0.437 18097 4484 1 7 . 1 1 145 145 SER H H 434 8.546 8.546 8.592 -0.046 18097 4485 1 7 . 1 1 149 149 CYS N N 438 126.863 126.863 127.636 -0.773 18097 4486 1 7 . 1 1 149 149 CYS C C 438 173.441 173.441 173.288 0.153 18097 4487 1 7 . 1 1 149 149 CYS CA C 438 58.256 58.256 58.491 -0.235 18097 4488 1 7 . 1 1 149 149 CYS H H 438 8.557 8.557 8.537 0.020 18097 4489 1 7 . 1 1 151 151 ASP N N 440 123.283 123.283 120.659 2.624 18097 4490 1 7 . 1 1 151 151 ASP HA H 440 4.550 4.550 4.781 -0.231 18097 4491 1 7 . 1 1 151 151 ASP C C 440 175.505 175.505 175.898 -0.393 18097 4492 1 7 . 1 1 151 151 ASP CA C 440 55.227 55.227 54.785 0.442 18097 4493 1 7 . 1 1 151 151 ASP H H 440 9.027 9.027 9.130 -0.103 18097 4494 1 7 . 1 1 152 152 ARG N N 441 116.407 116.407 118.850 -2.443 18097 4495 1 7 . 1 1 152 152 ARG HA H 441 4.316 4.316 4.875 -0.559 18097 4496 1 7 . 1 1 152 152 ARG C C 441 173.858 173.858 173.332 0.526 18097 4497 1 7 . 1 1 152 152 ARG CA C 441 54.486 54.486 55.942 -1.456 18097 4498 1 7 . 1 1 152 152 ARG H H 441 6.962 6.962 7.351 -0.389 18097 4499 1 7 . 1 1 153 153 VAL N N 442 123.155 123.155 125.645 -2.490 18097 4500 1 7 . 1 1 153 153 VAL C C 442 174.967 174.967 175.218 -0.251 18097 4501 1 7 . 1 1 153 153 VAL CA C 442 60.174 60.174 60.414 -0.240 18097 4502 1 7 . 1 1 153 153 VAL H H 442 8.689 8.689 8.767 -0.078 18097 4503 1 7 . 1 1 154 154 GLY N N 443 114.213 114.213 114.477 -0.264 18097 4504 1 7 . 1 1 154 154 GLY C C 443 171.584 171.584 172.758 -1.174 18097 4505 1 7 . 1 1 154 154 GLY CA C 443 44.827 44.827 43.733 1.094 18097 4506 1 7 . 1 1 154 154 GLY H H 443 9.100 9.100 8.922 0.178 18097 4507 1 7 . 1 1 155 155 VAL N N 444 126.435 126.435 125.166 1.269 18097 4508 1 7 . 1 1 155 155 VAL HA H 444 4.123 4.123 4.616 -0.493 18097 4509 1 7 . 1 1 155 155 VAL C C 444 171.856 171.856 173.588 -1.732 18097 4510 1 7 . 1 1 155 155 VAL CA C 444 60.712 60.712 60.057 0.655 18097 4511 1 7 . 1 1 155 155 VAL H H 444 8.485 8.485 8.393 0.092 18097 4512 1 7 . 1 1 156 156 PHE N N 445 122.110 122.110 128.947 -6.837 18097 4513 1 7 . 1 1 156 156 PHE HA H 445 4.580 4.580 5.396 -0.816 18097 4514 1 7 . 1 1 156 156 PHE C C 445 174.598 174.598 173.305 1.293 18097 4515 1 7 . 1 1 156 156 PHE CA C 445 53.174 53.174 54.930 -1.756 18097 4516 1 7 . 1 1 156 156 PHE H H 445 8.441 8.441 8.657 -0.216 18097 4517 1 7 . 1 1 157 157 VAL N N 446 130.057 130.057 126.807 3.250 18097 4518 1 7 . 1 1 157 157 VAL HA H 446 4.275 4.275 4.691 -0.416 18097 4519 1 7 . 1 1 157 157 VAL C C 446 172.086 172.086 173.609 -1.523 18097 4520 1 7 . 1 1 157 157 VAL CA C 446 59.837 59.837 60.721 -0.884 18097 4521 1 7 . 1 1 157 157 VAL H H 446 9.139 9.139 8.838 0.301 18097 4522 1 7 . 1 1 158 158 ASP N N 447 124.791 124.791 128.246 -3.455 18097 4523 1 7 . 1 1 158 158 ASP HA H 447 4.491 4.491 4.749 -0.258 18097 4524 1 7 . 1 1 158 158 ASP C C 447 176.456 176.456 176.463 -0.007 18097 4525 1 7 . 1 1 158 158 ASP CA C 447 51.794 51.794 51.316 0.478 18097 4526 1 7 . 1 1 158 158 ASP H H 447 7.608 7.608 8.411 -0.803 18097 4527 1 7 . 1 1 159 159 TYR N N 448 125.168 125.168 126.295 -1.127 18097 4528 1 7 . 1 1 159 159 TYR HA H 448 3.793 3.793 4.014 -0.221 18097 4529 1 7 . 1 1 159 159 TYR C C 448 177.894 177.894 176.824 1.070 18097 4530 1 7 . 1 1 159 159 TYR CA C 448 61.688 61.688 62.986 -1.298 18097 4531 1 7 . 1 1 159 159 TYR H H 448 8.778 8.778 7.904 0.874 18097 4532 1 7 . 1 1 160 160 GLU N N 449 116.788 116.788 116.557 0.231 18097 4533 1 7 . 1 1 160 160 GLU HA H 449 3.967 3.967 3.992 -0.025 18097 4534 1 7 . 1 1 160 160 GLU C C 449 178.520 178.520 177.976 0.544 18097 4535 1 7 . 1 1 160 160 GLU CA C 449 60.578 60.578 58.976 1.602 18097 4536 1 7 . 1 1 160 160 GLU H H 449 8.003 8.003 8.663 -0.660 18097 4537 1 7 . 1 1 161 161 ALA N N 450 119.184 119.184 118.957 0.227 18097 4538 1 7 . 1 1 161 161 ALA HA H 450 4.026 4.026 4.168 -0.142 18097 4539 1 7 . 1 1 161 161 ALA C C 450 176.664 176.664 177.288 -0.624 18097 4540 1 7 . 1 1 161 161 ALA CA C 450 51.895 51.895 52.598 -0.703 18097 4541 1 7 . 1 1 161 161 ALA H H 450 7.695 7.695 8.375 -0.680 18097 4542 1 7 . 1 1 162 162 CYS N N 451 112.485 112.485 115.481 -2.996 18097 4543 1 7 . 1 1 162 162 CYS C C 451 173.047 173.047 172.919 0.128 18097 4544 1 7 . 1 1 162 162 CYS CA C 451 59.063 59.063 59.022 0.041 18097 4545 1 7 . 1 1 162 162 CYS H H 451 7.880 7.880 8.468 -0.588 18097 4546 1 7 . 1 1 163 163 THR N N 452 106.985 106.985 110.476 -3.491 18097 4547 1 7 . 1 1 163 163 THR C C 452 173.335 173.335 173.016 0.319 18097 4548 1 7 . 1 1 163 163 THR CA C 452 58.727 58.727 60.414 -1.687 18097 4549 1 7 . 1 1 163 163 THR H H 452 7.623 7.623 7.482 0.141 18097 4550 1 7 . 1 1 164 164 VAL N N 453 119.085 119.085 124.943 -5.858 18097 4551 1 7 . 1 1 164 164 VAL C C 453 174.741 174.741 175.120 -0.379 18097 4552 1 7 . 1 1 164 164 VAL CA C 453 61.756 61.756 61.179 0.577 18097 4553 1 7 . 1 1 164 164 VAL H H 453 7.900 7.900 8.609 -0.709 18097 4554 1 7 . 1 1 165 165 SER N N 454 121.792 121.792 123.731 -1.939 18097 4555 1 7 . 1 1 165 165 SER C C 454 170.888 170.888 172.911 -2.023 18097 4556 1 7 . 1 1 165 165 SER CA C 454 57.482 57.482 57.044 0.438 18097 4557 1 7 . 1 1 165 165 SER H H 454 9.034 9.034 8.915 0.119 18097 4558 1 7 . 1 1 166 166 PHE N N 455 117.889 117.889 120.502 -2.613 18097 4559 1 7 . 1 1 166 166 PHE C C 455 175.064 175.064 174.460 0.604 18097 4560 1 7 . 1 1 166 166 PHE CA C 455 55.361 55.361 56.162 -0.801 18097 4561 1 7 . 1 1 166 166 PHE H H 455 8.076 8.076 8.839 -0.763 18097 4562 1 7 . 1 1 167 167 PHE N N 456 121.297 121.297 121.450 -0.153 18097 4563 1 7 . 1 1 167 167 PHE C C 456 175.018 175.018 175.419 -0.401 18097 4564 1 7 . 1 1 167 167 PHE CA C 456 56.808 56.808 56.474 0.334 18097 4565 1 7 . 1 1 167 167 PHE H H 456 10.023 10.023 9.323 0.700 18097 4566 1 7 . 1 1 168 168 ASN N N 457 120.535 120.535 122.444 -1.909 18097 4567 1 7 . 1 1 168 168 ASN HA H 457 4.591 4.591 5.116 -0.525 18097 4568 1 7 . 1 1 168 168 ASN C C 457 175.157 175.157 176.055 -0.898 18097 4569 1 7 . 1 1 168 168 ASN CA C 457 51.659 51.659 50.593 1.066 18097 4570 1 7 . 1 1 168 168 ASN H H 457 9.646 9.646 8.923 0.723 18097 4571 1 7 . 1 1 169 169 ILE N N 458 124.615 124.615 124.442 0.173 18097 4572 1 7 . 1 1 169 169 ILE C C 458 176.548 176.548 177.458 -0.910 18097 4573 1 7 . 1 1 169 169 ILE CA C 458 62.698 62.698 63.669 -0.971 18097 4574 1 7 . 1 1 169 169 ILE H H 458 7.792 7.792 8.056 -0.264 18097 4575 1 7 . 1 1 170 170 THR N N 459 114.704 114.704 112.324 2.380 18097 4576 1 7 . 1 1 170 170 THR HA H 459 4.004 4.004 4.052 -0.048 18097 4577 1 7 . 1 1 170 170 THR C C 459 173.719 173.719 175.105 -1.386 18097 4578 1 7 . 1 1 170 170 THR CA C 459 64.549 64.549 64.901 -0.352 18097 4579 1 7 . 1 1 170 170 THR H H 459 7.382 7.382 7.746 -0.364 18097 4580 1 7 . 1 1 171 171 ASN N N 460 119.172 119.172 118.951 0.221 18097 4581 1 7 . 1 1 171 171 ASN HA H 460 4.770 4.770 4.902 -0.132 18097 4582 1 7 . 1 1 171 171 ASN C C 460 173.835 173.835 174.244 -0.409 18097 4583 1 7 . 1 1 171 171 ASN CA C 460 49.674 49.674 51.149 -1.475 18097 4584 1 7 . 1 1 171 171 ASN H H 460 7.079 7.079 8.488 -1.409 18097 4585 1 7 . 1 1 172 172 HIS N N 461 111.334 111.334 116.902 -5.568 18097 4586 1 7 . 1 1 172 172 HIS HA H 461 3.942 3.942 4.042 -0.100 18097 4587 1 7 . 1 1 172 172 HIS C C 461 174.114 174.114 174.898 -0.784 18097 4588 1 7 . 1 1 172 172 HIS CA C 461 57.313 57.313 57.719 -0.406 18097 4589 1 7 . 1 1 172 172 HIS H H 461 7.350 7.350 7.787 -0.437 18097 4590 1 7 . 1 1 173 173 GLY N N 462 105.400 105.400 105.772 -0.372 18097 4591 1 7 . 1 1 173 173 GLY C C 462 173.603 173.603 174.465 -0.862 18097 4592 1 7 . 1 1 173 173 GLY CA C 462 47.486 47.486 45.534 1.952 18097 4593 1 7 . 1 1 173 173 GLY H H 462 7.818 7.818 7.915 -0.097 18097 4594 1 7 . 1 1 174 174 PHE N N 463 120.249 120.249 118.830 1.419 18097 4595 1 7 . 1 1 174 174 PHE HA H 463 4.423 4.423 4.539 -0.116 18097 4596 1 7 . 1 1 174 174 PHE C C 463 176.502 176.502 176.445 0.057 18097 4597 1 7 . 1 1 174 174 PHE CA C 463 57.549 57.549 57.928 -0.379 18097 4598 1 7 . 1 1 174 174 PHE H H 463 7.626 7.626 8.078 -0.452 18097 4599 1 7 . 1 1 175 175 LEU N N 464 125.969 125.969 125.286 0.683 18097 4600 1 7 . 1 1 175 175 LEU C C 464 176.780 176.780 176.303 0.477 18097 4601 1 7 . 1 1 175 175 LEU CA C 464 56.068 56.068 56.140 -0.072 18097 4602 1 7 . 1 1 175 175 LEU H H 464 8.561 8.561 8.684 -0.123 18097 4603 1 7 . 1 1 176 176 ILE N N 465 126.876 126.876 126.630 0.246 18097 4604 1 7 . 1 1 176 176 ILE C C 465 175.528 175.528 175.254 0.274 18097 4605 1 7 . 1 1 176 176 ILE CA C 465 63.169 63.169 63.642 -0.473 18097 4606 1 7 . 1 1 176 176 ILE H H 465 9.330 9.330 8.963 0.367 18097 4607 1 7 . 1 1 177 177 TYR N N 466 115.047 115.047 117.723 -2.676 18097 4608 1 7 . 1 1 177 177 TYR HA H 466 4.068 4.068 4.632 -0.564 18097 4609 1 7 . 1 1 177 177 TYR C C 466 171.006 171.006 172.739 -1.733 18097 4610 1 7 . 1 1 177 177 TYR CA C 466 59.097 59.097 57.182 1.915 18097 4611 1 7 . 1 1 177 177 TYR H H 466 7.212 7.212 7.533 -0.321 18097 4612 1 7 . 1 1 178 178 LYS N N 467 127.911 127.911 124.136 3.775 18097 4613 1 7 . 1 1 178 178 LYS C C 467 175.273 175.273 174.381 0.892 18097 4614 1 7 . 1 1 178 178 LYS CA C 467 54.520 54.520 55.276 -0.756 18097 4615 1 7 . 1 1 178 178 LYS H H 467 6.811 6.811 7.072 -0.261 18097 4616 1 7 . 1 1 179 179 PHE N N 468 126.383 126.383 126.740 -0.357 18097 4617 1 7 . 1 1 179 179 PHE HA H 468 4.632 4.632 4.734 -0.102 18097 4618 1 7 . 1 1 179 179 PHE C C 468 175.336 175.336 174.676 0.660 18097 4619 1 7 . 1 1 179 179 PHE CA C 468 58.289 58.289 58.614 -0.325 18097 4620 1 7 . 1 1 179 179 PHE H H 468 9.651 9.651 9.450 0.201 18097 4621 1 7 . 1 1 180 180 SER N N 469 115.506 115.506 116.938 -1.432 18097 4622 1 7 . 1 1 180 180 SER HA H 469 4.837 4.837 4.775 0.062 18097 4623 1 7 . 1 1 180 180 SER C C 469 172.861 172.861 174.857 -1.996 18097 4624 1 7 . 1 1 180 180 SER CA C 469 56.707 56.707 57.775 -1.068 18097 4625 1 7 . 1 1 180 180 SER H H 469 8.485 8.485 8.660 -0.175 18097 4626 1 7 . 1 1 181 181 GLN N N 470 117.133 117.133 118.142 -1.009 18097 4627 1 7 . 1 1 181 181 GLN HA H 470 3.629 3.629 3.834 -0.205 18097 4628 1 7 . 1 1 181 181 GLN C C 470 176.015 176.015 174.713 1.302 18097 4629 1 7 . 1 1 181 181 GLN CA C 470 56.472 56.472 56.813 -0.341 18097 4630 1 7 . 1 1 181 181 GLN H H 470 9.298 9.298 8.662 0.636 18097 4631 1 7 . 1 1 182 182 CYS N N 471 116.032 116.032 118.229 -2.197 18097 4632 1 7 . 1 1 182 182 CYS C C 471 175.899 175.899 175.701 0.198 18097 4633 1 7 . 1 1 182 182 CYS CA C 471 60.039 60.039 57.950 2.089 18097 4634 1 7 . 1 1 182 182 CYS H H 471 7.876 7.876 7.614 0.262 18097 4635 1 7 . 1 1 183 183 SER N N 472 118.074 118.074 120.620 -2.546 18097 4636 1 7 . 1 1 183 183 SER HA H 472 4.194 4.194 4.391 -0.197 18097 4637 1 7 . 1 1 183 183 SER C C 472 174.392 174.392 173.725 0.667 18097 4638 1 7 . 1 1 183 183 SER CA C 472 56.337 56.337 58.505 -2.168 18097 4639 1 7 . 1 1 183 183 SER H H 472 8.561 8.561 8.934 -0.373 18097 4640 1 7 . 1 1 184 184 PHE N N 473 125.605 125.605 125.997 -0.392 18097 4641 1 7 . 1 1 184 184 PHE HA H 473 4.825 4.825 4.600 0.225 18097 4642 1 7 . 1 1 184 184 PHE C C 473 175.157 175.157 176.109 -0.952 18097 4643 1 7 . 1 1 184 184 PHE CA C 473 52.534 52.534 55.006 -2.472 18097 4644 1 7 . 1 1 184 184 PHE H H 473 7.275 7.275 8.093 -0.818 18097 4645 1 7 . 1 1 188 188 VAL N N 477 111.123 111.123 118.965 -7.842 18097 4646 1 7 . 1 1 188 188 VAL C C 477 173.279 173.279 174.063 -0.784 18097 4647 1 7 . 1 1 188 188 VAL CA C 477 58.626 58.626 60.160 -1.534 18097 4648 1 7 . 1 1 188 188 VAL H H 477 7.959 7.959 7.802 0.157 18097 4649 1 7 . 1 1 189 189 PHE N N 478 114.592 114.592 118.721 -4.129 18097 4650 1 7 . 1 1 189 189 PHE CA C 478 54.957 54.957 54.351 0.606 18097 4651 1 7 . 1 1 189 189 PHE H H 478 8.774 8.774 9.579 -0.805 18097 4652 1 7 . 1 1 191 191 TYR N N 480 121.836 121.836 126.471 -4.635 18097 4653 1 7 . 1 1 191 191 TYR HA H 480 5.142 5.142 5.126 0.016 18097 4654 1 7 . 1 1 191 191 TYR C C 480 174.693 174.693 174.452 0.241 18097 4655 1 7 . 1 1 191 191 TYR CA C 480 57.078 57.078 57.177 -0.099 18097 4656 1 7 . 1 1 191 191 TYR H H 480 8.356 8.356 8.349 0.007 18097 4657 1 7 . 1 1 192 192 LEU N N 481 129.065 129.065 127.427 1.638 18097 4658 1 7 . 1 1 192 192 LEU HA H 481 4.605 4.605 4.858 -0.253 18097 4659 1 7 . 1 1 192 192 LEU C C 481 174.137 174.137 174.536 -0.399 18097 4660 1 7 . 1 1 192 192 LEU CA C 481 55.563 55.563 54.159 1.404 18097 4661 1 7 . 1 1 192 192 LEU H H 481 8.261 8.261 7.910 0.351 18097 4662 1 7 . 1 1 193 193 ASN N N 482 114.217 114.217 119.291 -5.074 18097 4663 1 7 . 1 1 193 193 ASN CA C 482 49.505 49.505 50.587 -1.082 18097 4664 1 7 . 1 1 193 193 ASN H H 482 8.007 8.007 8.158 -0.151 18097 4665 1 7 . 1 1 198 198 THR N N 487 121.563 121.563 120.985 0.578 18097 4666 1 7 . 1 1 198 198 THR HA H 487 4.044 4.044 4.147 -0.103 18097 4667 1 7 . 1 1 198 198 THR C C 487 174.206 174.206 174.253 -0.047 18097 4668 1 7 . 1 1 198 198 THR CA C 487 63.203 63.203 63.909 -0.706 18097 4669 1 7 . 1 1 198 198 THR H H 487 8.265 8.265 8.358 -0.093 18097 4670 1 7 . 1 1 199 199 VAL N N 488 129.507 129.507 125.951 3.556 18097 4671 1 7 . 1 1 199 199 VAL C C 488 174.832 174.832 174.196 0.636 18097 4672 1 7 . 1 1 199 199 VAL CA C 488 61.419 61.419 60.943 0.476 18097 4673 1 7 . 1 1 199 199 VAL H H 488 8.737 8.737 7.538 1.199 18097 4674 1 7 . 1 1 201 201 MET N N 490 116.897 116.897 123.172 -6.275 18097 4675 1 7 . 1 1 201 201 MET HA H 490 5.073 5.073 5.220 -0.147 18097 4676 1 7 . 1 1 201 201 MET C C 490 175.180 175.180 175.361 -0.181 18097 4677 1 7 . 1 1 201 201 MET CA C 490 53.712 53.712 54.447 -0.735 18097 4678 1 7 . 1 1 201 201 MET H H 490 8.545 8.545 8.645 -0.100 18097 4679 1 7 . 1 1 202 202 THR N N 491 117.791 117.791 119.633 -1.842 18097 4680 1 7 . 1 1 202 202 THR HA H 491 4.977 4.977 5.018 -0.041 18097 4681 1 7 . 1 1 202 202 THR C C 491 173.981 173.981 174.082 -0.101 18097 4682 1 7 . 1 1 202 202 THR CA C 491 62.058 62.058 61.644 0.414 18097 4683 1 7 . 1 1 202 202 THR H H 491 8.312 8.312 8.239 0.073 18097 4684 1 7 . 1 1 203 203 LEU N N 492 129.237 129.237 122.917 6.320 18097 4685 1 7 . 1 1 203 203 LEU HA H 492 4.756 4.756 5.188 -0.432 18097 4686 1 7 . 1 1 203 203 LEU C C 492 176.131 176.131 177.021 -0.890 18097 4687 1 7 . 1 1 203 203 LEU CA C 492 55.294 55.294 53.660 1.634 18097 4688 1 7 . 1 1 203 203 LEU H H 492 9.048 9.048 8.158 0.890 18097 4689 1 7 . 1 1 204 204 CYS N N 493 122.012 122.012 121.162 0.850 18097 4690 1 7 . 1 1 204 204 CYS HA H 493 4.577 4.577 4.031 0.546 18097 4691 1 7 . 1 1 204 204 CYS C C 493 174.531 174.531 174.187 0.344 18097 4692 1 7 . 1 1 204 204 CYS CA C 493 58.188 58.188 61.514 -3.326 18097 4693 1 7 . 1 1 204 204 CYS H H 493 8.609 8.609 8.774 -0.165 18097 4694 1 7 . 1 1 205 205 SER N N 494 120.249 120.249 112.062 8.187 18097 4695 1 7 . 1 1 205 205 SER C C 494 171.632 171.632 171.732 -0.100 18097 4696 1 7 . 1 1 205 205 SER CA C 494 56.909 56.909 57.515 -0.606 18097 4697 1 7 . 1 1 205 205 SER H H 494 8.665 8.665 8.478 0.187 18097 4698 1 8 . 1 1 3 3 GLU N N 292 122.345 122.345 122.373 -0.028 18097 4699 1 8 . 1 1 3 3 GLU HA H 292 3.992 3.992 3.992 -0.000 18097 4700 1 8 . 1 1 3 3 GLU C C 292 178.218 178.218 177.756 0.462 18097 4701 1 8 . 1 1 3 3 GLU CA C 292 58.828 58.828 59.560 -0.732 18097 4702 1 8 . 1 1 3 3 GLU H H 292 8.831 8.831 8.556 0.275 18097 4703 1 8 . 1 1 4 4 LEU N N 293 121.001 121.001 118.331 2.670 18097 4704 1 8 . 1 1 4 4 LEU C C 293 177.175 177.175 177.619 -0.444 18097 4705 1 8 . 1 1 4 4 LEU CA C 293 57.044 57.044 57.278 -0.234 18097 4706 1 8 . 1 1 4 4 LEU H H 293 7.976 7.976 7.958 0.018 18097 4707 1 8 . 1 1 5 5 THR N N 294 113.069 113.069 113.957 -0.888 18097 4708 1 8 . 1 1 5 5 THR HA H 294 3.916 3.916 3.713 0.203 18097 4709 1 8 . 1 1 5 5 THR C C 294 176.200 176.200 175.372 0.828 18097 4710 1 8 . 1 1 5 5 THR CA C 294 66.164 66.164 66.451 -0.287 18097 4711 1 8 . 1 1 5 5 THR H H 294 7.535 7.535 7.488 0.047 18097 4712 1 8 . 1 1 6 6 ASP N N 295 119.926 119.926 119.768 0.158 18097 4713 1 8 . 1 1 6 6 ASP HA H 295 4.085 4.085 4.353 -0.268 18097 4714 1 8 . 1 1 6 6 ASP C C 295 177.314 177.314 177.992 -0.678 18097 4715 1 8 . 1 1 6 6 ASP CA C 295 56.808 56.808 56.315 0.493 18097 4716 1 8 . 1 1 6 6 ASP H H 295 7.530 7.530 7.977 -0.447 18097 4717 1 8 . 1 1 7 7 ALA N N 296 121.726 121.726 122.356 -0.630 18097 4718 1 8 . 1 1 7 7 ALA HA H 296 4.109 4.109 3.445 0.664 18097 4719 1 8 . 1 1 7 7 ALA C C 296 178.659 178.659 179.114 -0.455 18097 4720 1 8 . 1 1 7 7 ALA CA C 296 54.655 54.655 53.857 0.798 18097 4721 1 8 . 1 1 7 7 ALA H H 296 7.227 7.227 6.990 0.237 18097 4722 1 8 . 1 1 8 8 ARG N N 297 112.468 112.468 116.475 -4.007 18097 4723 1 8 . 1 1 8 8 ARG C C 297 178.033 178.033 177.953 0.080 18097 4724 1 8 . 1 1 8 8 ARG CA C 297 58.424 58.424 57.879 0.545 18097 4725 1 8 . 1 1 8 8 ARG H H 297 7.370 7.370 7.325 0.045 18097 4726 1 8 . 1 1 9 9 ARG N N 298 118.926 118.926 118.557 0.369 18097 4727 1 8 . 1 1 9 9 ARG HA H 298 3.832 3.832 3.906 -0.074 18097 4728 1 8 . 1 1 9 9 ARG C C 298 176.827 176.827 176.932 -0.105 18097 4729 1 8 . 1 1 9 9 ARG CA C 298 58.289 58.289 58.181 0.108 18097 4730 1 8 . 1 1 9 9 ARG H H 298 7.059 7.059 7.102 -0.043 18097 4731 1 8 . 1 1 10 10 TYR N N 299 118.201 118.201 116.186 2.015 18097 4732 1 8 . 1 1 10 10 TYR HA H 299 4.853 4.853 4.739 0.114 18097 4733 1 8 . 1 1 10 10 TYR C C 299 174.832 174.832 174.361 0.471 18097 4734 1 8 . 1 1 10 10 TYR CA C 299 56.943 56.943 56.129 0.814 18097 4735 1 8 . 1 1 10 10 TYR H H 299 7.800 7.800 7.438 0.362 18097 4736 1 8 . 1 1 11 11 TRP N N 300 123.427 123.427 123.182 0.245 18097 4737 1 8 . 1 1 11 11 TRP HA H 300 4.577 4.577 5.304 -0.727 18097 4738 1 8 . 1 1 11 11 TRP C C 300 177.082 177.082 176.867 0.215 18097 4739 1 8 . 1 1 11 11 TRP CA C 300 58.558 58.558 58.528 0.030 18097 4740 1 8 . 1 1 11 11 TRP H H 300 7.122 7.122 7.640 -0.518 18097 4741 1 8 . 1 1 13 13 ASP N N 302 122.160 122.160 123.688 -1.528 18097 4742 1 8 . 1 1 13 13 ASP HA H 302 4.605 4.605 4.728 -0.123 18097 4743 1 8 . 1 1 13 13 ASP C C 302 174.786 174.786 175.873 -1.087 18097 4744 1 8 . 1 1 13 13 ASP CA C 302 53.005 53.005 54.130 -1.125 18097 4745 1 8 . 1 1 13 13 ASP H H 302 8.496 8.496 8.623 -0.127 18097 4746 1 8 . 1 1 14 14 VAL N N 303 126.934 126.934 127.030 -0.096 18097 4747 1 8 . 1 1 14 14 VAL HA H 303 4.096 4.096 4.187 -0.091 18097 4748 1 8 . 1 1 14 14 VAL C C 303 174.670 174.670 175.675 -1.005 18097 4749 1 8 . 1 1 14 14 VAL CA C 303 62.429 62.429 61.319 1.110 18097 4750 1 8 . 1 1 14 14 VAL H H 303 7.877 7.877 8.139 -0.262 18097 4751 1 8 . 1 1 15 15 THR N N 304 114.829 114.829 119.600 -4.771 18097 4752 1 8 . 1 1 15 15 THR HA H 304 4.536 4.536 4.700 -0.164 18097 4753 1 8 . 1 1 15 15 THR C C 304 173.951 173.951 173.790 0.161 18097 4754 1 8 . 1 1 15 15 THR CA C 304 58.592 58.592 60.186 -1.594 18097 4755 1 8 . 1 1 15 15 THR H H 304 8.321 8.321 8.299 0.022 18097 4756 1 8 . 1 1 16 16 LEU N N 305 121.392 121.392 124.931 -3.539 18097 4757 1 8 . 1 1 16 16 LEU HA H 305 4.322 4.322 4.472 -0.150 18097 4758 1 8 . 1 1 16 16 LEU C C 305 175.876 175.876 176.761 -0.885 18097 4759 1 8 . 1 1 16 16 LEU CA C 305 54.526 54.526 54.860 -0.334 18097 4760 1 8 . 1 1 16 16 LEU H H 305 8.967 8.967 8.526 0.441 18097 4761 1 8 . 1 1 17 17 ALA N N 306 124.039 124.039 125.469 -1.430 18097 4762 1 8 . 1 1 17 17 ALA HA H 306 4.385 4.385 4.793 -0.408 18097 4763 1 8 . 1 1 17 17 ALA C C 306 177.360 177.360 176.509 0.851 18097 4764 1 8 . 1 1 17 17 ALA CA C 306 50.515 50.515 50.632 -0.117 18097 4765 1 8 . 1 1 17 17 ALA H H 306 8.409 8.409 8.227 0.182 18097 4766 1 8 . 1 1 18 18 THR N N 307 114.041 114.041 115.486 -1.445 18097 4767 1 8 . 1 1 18 18 THR HA H 307 4.398 4.398 4.244 0.154 18097 4768 1 8 . 1 1 18 18 THR C C 307 174.206 174.206 174.012 0.194 18097 4769 1 8 . 1 1 18 18 THR CA C 307 61.722 61.722 62.311 -0.589 18097 4770 1 8 . 1 1 18 18 THR H H 307 8.146 8.146 8.435 -0.289 18097 4771 1 8 . 1 1 19 19 ASN N N 308 119.841 119.841 124.370 -4.529 18097 4772 1 8 . 1 1 19 19 ASN HA H 308 4.687 4.687 4.842 -0.155 18097 4773 1 8 . 1 1 19 19 ASN C C 308 174.577 174.577 175.052 -0.475 18097 4774 1 8 . 1 1 19 19 ASN CA C 308 52.871 52.871 52.065 0.806 18097 4775 1 8 . 1 1 19 19 ASN H H 308 8.470 8.470 8.441 0.029 18097 4776 1 8 . 1 1 38 38 PRO HA H 327 4.207 4.207 4.364 -0.157 18097 4777 1 8 . 1 1 38 38 PRO C C 327 176.641 176.641 177.783 -1.142 18097 4778 1 8 . 1 1 38 38 PRO CA C 327 63.443 63.443 62.593 0.850 18097 4779 1 8 . 1 1 38 38 PRO CB C 327 31.714 31.714 32.384 -0.670 18097 4780 1 8 . 1 1 39 39 GLN N N 328 118.424 118.424 117.621 0.803 18097 4781 1 8 . 1 1 39 39 GLN HA H 328 4.111 4.111 4.099 0.012 18097 4782 1 8 . 1 1 39 39 GLN C C 328 175.853 175.853 176.772 -0.919 18097 4783 1 8 . 1 1 39 39 GLN CA C 328 56.136 56.136 58.150 -2.014 18097 4784 1 8 . 1 1 39 39 GLN CB C 328 28.981 28.981 28.691 0.290 18097 4785 1 8 . 1 1 39 39 GLN H H 328 8.139 8.139 8.312 -0.173 18097 4786 1 8 . 1 1 40 40 ILE N N 329 119.966 119.966 112.474 7.492 18097 4787 1 8 . 1 1 40 40 ILE HA H 329 3.998 3.998 4.546 -0.548 18097 4788 1 8 . 1 1 40 40 ILE C C 329 175.690 175.690 174.625 1.065 18097 4789 1 8 . 1 1 40 40 ILE CA C 329 60.601 60.601 60.954 -0.353 18097 4790 1 8 . 1 1 40 40 ILE CB C 329 38.274 38.274 38.863 -0.589 18097 4791 1 8 . 1 1 40 40 ILE H H 329 7.688 7.688 8.047 -0.359 18097 4792 1 8 . 1 1 41 41 MET N N 330 123.189 123.189 118.649 4.540 18097 4793 1 8 . 1 1 41 41 MET HA H 330 4.286 4.286 4.171 0.115 18097 4794 1 8 . 1 1 41 41 MET C C 330 175.389 175.389 174.638 0.751 18097 4795 1 8 . 1 1 41 41 MET CA C 330 55.046 55.046 56.050 -1.004 18097 4796 1 8 . 1 1 41 41 MET CB C 330 32.499 32.499 30.639 1.860 18097 4797 1 8 . 1 1 41 41 MET H H 330 8.044 8.044 8.337 -0.293 18097 4798 1 8 . 1 1 42 42 TYR N N 331 121.297 121.297 114.955 6.342 18097 4799 1 8 . 1 1 42 42 TYR HA H 331 4.398 4.398 4.159 0.239 18097 4800 1 8 . 1 1 42 42 TYR C C 331 174.879 174.879 174.639 0.240 18097 4801 1 8 . 1 1 42 42 TYR CA C 331 57.599 57.599 59.542 -1.943 18097 4802 1 8 . 1 1 42 42 TYR CB C 331 38.825 38.825 36.847 1.978 18097 4803 1 8 . 1 1 42 42 TYR H H 331 8.024 8.024 8.370 -0.346 18097 4804 1 8 . 1 1 43 43 GLN N N 332 122.431 122.431 117.437 4.994 18097 4805 1 8 . 1 1 43 43 GLN HA H 332 4.148 4.148 4.075 0.073 18097 4806 1 8 . 1 1 43 43 GLN C C 332 174.345 174.345 175.903 -1.558 18097 4807 1 8 . 1 1 43 43 GLN CA C 332 54.714 54.714 55.929 -1.215 18097 4808 1 8 . 1 1 43 43 GLN CB C 332 29.741 29.741 30.449 -0.708 18097 4809 1 8 . 1 1 43 43 GLN H H 332 7.894 7.894 7.410 0.484 18097 4810 1 8 . 1 1 44 44 ALA N N 333 126.670 126.670 126.196 0.474 18097 4811 1 8 . 1 1 44 44 ALA HA H 333 4.367 4.367 4.214 0.153 18097 4812 1 8 . 1 1 44 44 ALA C C 333 175.459 175.459 176.806 -1.347 18097 4813 1 8 . 1 1 44 44 ALA CA C 333 50.358 50.358 52.022 -1.663 18097 4814 1 8 . 1 1 44 44 ALA CB C 333 17.603 17.603 18.392 -0.789 18097 4815 1 8 . 1 1 44 44 ALA H H 333 8.141 8.141 7.609 0.532 18097 4816 1 8 . 1 1 45 45 PRO HA H 334 4.273 4.273 4.222 0.051 18097 4817 1 8 . 1 1 45 45 PRO CA C 334 63.318 63.318 62.879 0.439 18097 4818 1 8 . 1 1 45 45 PRO CB C 334 31.697 31.697 30.759 0.938 18097 4819 1 8 . 1 1 46 46 GLY N N 335 109.630 109.630 108.358 1.272 18097 4820 1 8 . 1 1 46 46 GLY C C 335 174.322 174.322 174.963 -0.641 18097 4821 1 8 . 1 1 46 46 GLY CA C 335 45.255 45.255 45.327 -0.072 18097 4822 1 8 . 1 1 46 46 GLY H H 335 8.478 8.478 8.231 0.247 18097 4823 1 8 . 1 1 47 47 THR N N 336 113.015 113.015 117.862 -4.847 18097 4824 1 8 . 1 1 47 47 THR HA H 336 4.210 4.210 4.184 0.026 18097 4825 1 8 . 1 1 47 47 THR C C 336 174.067 174.067 174.717 -0.650 18097 4826 1 8 . 1 1 47 47 THR CA C 336 61.547 61.547 63.947 -2.400 18097 4827 1 8 . 1 1 47 47 THR CB C 336 69.516 69.516 69.078 0.438 18097 4828 1 8 . 1 1 47 47 THR H H 336 7.734 7.734 8.201 -0.467 18097 4829 1 8 . 1 1 48 48 LEU N N 337 123.635 123.635 112.175 11.460 18097 4830 1 8 . 1 1 48 48 LEU HA H 337 4.152 4.152 4.209 -0.057 18097 4831 1 8 . 1 1 48 48 LEU C C 337 176.618 176.618 176.412 0.206 18097 4832 1 8 . 1 1 48 48 LEU CA C 337 55.025 55.025 55.330 -0.305 18097 4833 1 8 . 1 1 48 48 LEU CB C 337 42.098 42.098 40.349 1.749 18097 4834 1 8 . 1 1 48 48 LEU H H 337 8.087 8.087 7.377 0.710 18097 4835 1 8 . 1 1 49 49 PHE N N 338 120.255 120.255 120.800 -0.545 18097 4836 1 8 . 1 1 49 49 PHE HA H 338 4.496 4.496 4.405 0.091 18097 4837 1 8 . 1 1 49 49 PHE C C 338 175.227 175.227 176.632 -1.405 18097 4838 1 8 . 1 1 49 49 PHE CA C 338 57.234 57.234 60.116 -2.882 18097 4839 1 8 . 1 1 49 49 PHE CB C 338 39.290 39.290 37.320 1.970 18097 4840 1 8 . 1 1 49 49 PHE H H 338 8.017 8.017 7.808 0.209 18097 4841 1 8 . 1 1 50 50 THR N N 339 115.141 115.141 112.302 2.839 18097 4842 1 8 . 1 1 50 50 THR HA H 339 4.137 4.137 4.130 0.007 18097 4843 1 8 . 1 1 50 50 THR C C 339 173.255 173.255 174.332 -1.077 18097 4844 1 8 . 1 1 50 50 THR CA C 339 61.244 61.244 64.376 -3.132 18097 4845 1 8 . 1 1 50 50 THR CB C 339 69.643 69.643 67.675 1.968 18097 4846 1 8 . 1 1 50 50 THR H H 339 7.741 7.741 8.167 -0.426 18097 4847 1 8 . 1 1 51 51 PHE N N 340 122.603 122.603 114.879 7.724 18097 4848 1 8 . 1 1 51 51 PHE HA H 340 4.571 4.571 4.715 -0.144 18097 4849 1 8 . 1 1 51 51 PHE C C 340 173.858 173.858 172.516 1.342 18097 4850 1 8 . 1 1 51 51 PHE CA C 340 56.874 56.874 55.098 1.776 18097 4851 1 8 . 1 1 51 51 PHE CB C 340 39.250 39.250 37.751 1.499 18097 4852 1 8 . 1 1 51 51 PHE H H 340 7.996 7.996 7.188 0.808 18097 4853 1 8 . 1 1 52 52 PRO HA H 341 4.278 4.278 3.969 0.309 18097 4854 1 8 . 1 1 52 52 PRO CA C 341 63.297 63.297 63.526 -0.229 18097 4855 1 8 . 1 1 52 52 PRO CB C 341 31.190 31.190 30.765 0.426 18097 4856 1 8 . 1 1 53 53 SER N N 342 114.918 114.918 118.174 -3.256 18097 4857 1 8 . 1 1 53 53 SER HA H 342 4.334 4.334 4.179 0.155 18097 4858 1 8 . 1 1 53 53 SER C C 342 174.508 174.508 176.068 -1.560 18097 4859 1 8 . 1 1 53 53 SER CA C 342 58.019 58.019 60.597 -2.578 18097 4860 1 8 . 1 1 53 53 SER CB C 342 63.587 63.587 63.102 0.485 18097 4861 1 8 . 1 1 53 53 SER H H 342 8.119 8.119 7.739 0.380 18097 4862 1 8 . 1 1 54 54 LEU N N 343 123.426 123.426 115.386 8.040 18097 4863 1 8 . 1 1 54 54 LEU HA H 343 4.307 4.307 4.069 0.238 18097 4864 1 8 . 1 1 54 54 LEU C C 343 177.314 177.314 177.713 -0.399 18097 4865 1 8 . 1 1 54 54 LEU CA C 343 55.224 55.224 56.938 -1.714 18097 4866 1 8 . 1 1 54 54 LEU CB C 343 41.934 41.934 41.519 0.415 18097 4867 1 8 . 1 1 54 54 LEU H H 343 8.180 8.180 7.718 0.462 18097 4868 1 8 . 1 1 55 55 THR N N 344 112.921 112.921 110.216 2.705 18097 4869 1 8 . 1 1 55 55 THR HA H 344 4.144 4.144 4.239 -0.095 18097 4870 1 8 . 1 1 55 55 THR C C 344 173.928 173.928 175.164 -1.236 18097 4871 1 8 . 1 1 55 55 THR CA C 344 61.565 61.565 61.643 -0.078 18097 4872 1 8 . 1 1 55 55 THR CB C 344 69.396 69.396 69.846 -0.450 18097 4873 1 8 . 1 1 55 55 THR H H 344 7.911 7.911 7.530 0.381 18097 4874 1 8 . 1 1 56 56 ASN N N 345 119.978 119.978 120.772 -0.794 18097 4875 1 8 . 1 1 56 56 ASN HA H 345 4.482 4.482 4.258 0.224 18097 4876 1 8 . 1 1 56 56 ASN C C 345 174.137 174.137 174.253 -0.116 18097 4877 1 8 . 1 1 56 56 ASN CA C 345 52.938 52.938 55.637 -2.699 18097 4878 1 8 . 1 1 56 56 ASN CB C 345 38.110 38.110 38.345 -0.235 18097 4879 1 8 . 1 1 56 56 ASN H H 345 8.097 8.097 8.436 -0.339 18097 4880 1 8 . 1 1 57 57 PHE N N 346 120.030 120.030 119.648 0.382 18097 4881 1 8 . 1 1 57 57 PHE HA H 346 4.482 4.482 4.079 0.403 18097 4882 1 8 . 1 1 57 57 PHE C C 346 174.693 174.693 173.830 0.863 18097 4883 1 8 . 1 1 57 57 PHE CA C 346 57.381 57.381 58.775 -1.394 18097 4884 1 8 . 1 1 57 57 PHE CB C 346 39.313 39.313 38.645 0.668 18097 4885 1 8 . 1 1 57 57 PHE H H 346 7.919 7.919 8.590 -0.671 18097 4886 1 8 . 1 1 58 58 ASN N N 347 125.759 125.759 118.824 6.935 18097 4887 1 8 . 1 1 58 58 ASN CA C 347 57.145 57.145 53.694 3.451 18097 4888 1 8 . 1 1 58 58 ASN H H 347 7.656 7.656 8.413 -0.757 18097 4889 1 8 . 1 1 64 64 LEU N N 353 120.532 120.532 120.795 -0.263 18097 4890 1 8 . 1 1 64 64 LEU HA H 353 4.398 4.398 5.326 -0.928 18097 4891 1 8 . 1 1 64 64 LEU C C 353 178.380 178.380 177.071 1.309 18097 4892 1 8 . 1 1 64 64 LEU CA C 353 51.933 51.933 52.531 -0.598 18097 4893 1 8 . 1 1 64 64 LEU H H 353 8.518 8.518 8.759 -0.241 18097 4894 1 8 . 1 1 65 65 GLY N N 354 102.514 102.514 106.408 -3.894 18097 4895 1 8 . 1 1 65 65 GLY C C 354 172.884 172.884 174.658 -1.774 18097 4896 1 8 . 1 1 65 65 GLY CA C 354 44.491 44.491 44.660 -0.169 18097 4897 1 8 . 1 1 65 65 GLY H H 354 8.051 8.051 8.079 -0.028 18097 4898 1 8 . 1 1 66 66 SER N N 355 113.869 113.869 113.219 0.650 18097 4899 1 8 . 1 1 66 66 SER HA H 355 4.015 4.015 4.221 -0.206 18097 4900 1 8 . 1 1 66 66 SER C C 355 174.276 174.276 175.099 -0.823 18097 4901 1 8 . 1 1 66 66 SER CA C 355 59.770 59.770 59.589 0.181 18097 4902 1 8 . 1 1 66 66 SER H H 355 8.724 8.724 8.541 0.183 18097 4903 1 8 . 1 1 67 67 GLN N N 356 121.985 121.985 120.724 1.261 18097 4904 1 8 . 1 1 67 67 GLN HA H 356 4.474 4.474 4.621 -0.147 18097 4905 1 8 . 1 1 67 67 GLN C C 356 173.905 173.905 174.493 -0.588 18097 4906 1 8 . 1 1 67 67 GLN CA C 356 54.655 54.655 54.669 -0.014 18097 4907 1 8 . 1 1 67 67 GLN H H 356 7.995 7.995 8.063 -0.068 18097 4908 1 8 . 1 1 68 68 SER N N 357 118.695 118.695 117.138 1.557 18097 4909 1 8 . 1 1 68 68 SER HA H 357 4.852 4.852 3.695 1.157 18097 4910 1 8 . 1 1 68 68 SER C C 357 173.835 173.835 173.904 -0.069 18097 4911 1 8 . 1 1 68 68 SER CA C 357 56.472 56.472 56.731 -0.259 18097 4912 1 8 . 1 1 68 68 SER H H 357 8.145 8.145 8.438 -0.293 18097 4913 1 8 . 1 1 69 69 ILE N N 358 123.370 123.370 121.886 1.484 18097 4914 1 8 . 1 1 69 69 ILE C C 358 175.018 175.018 174.870 0.148 18097 4915 1 8 . 1 1 69 69 ILE CA C 358 60.780 60.780 60.626 0.154 18097 4916 1 8 . 1 1 69 69 ILE H H 358 8.813 8.813 8.098 0.715 18097 4917 1 8 . 1 1 70 70 THR N N 359 113.324 113.324 115.971 -2.647 18097 4918 1 8 . 1 1 70 70 THR HA H 359 3.967 3.967 3.349 0.618 18097 4919 1 8 . 1 1 70 70 THR C C 359 172.026 172.026 173.020 -0.994 18097 4920 1 8 . 1 1 70 70 THR CA C 359 59.366 59.366 60.290 -0.924 18097 4921 1 8 . 1 1 70 70 THR H H 359 8.250 8.250 8.359 -0.109 18097 4922 1 8 . 1 1 71 71 SER N N 360 111.494 111.494 114.060 -2.566 18097 4923 1 8 . 1 1 71 71 SER HA H 360 4.085 4.085 4.428 -0.343 18097 4924 1 8 . 1 1 71 71 SER C C 360 173.835 173.835 173.277 0.558 18097 4925 1 8 . 1 1 71 71 SER CA C 360 57.818 57.818 58.278 -0.460 18097 4926 1 8 . 1 1 71 71 SER H H 360 6.964 6.964 6.998 -0.034 18097 4927 1 8 . 1 1 72 72 GLY N N 361 112.909 112.909 108.357 4.552 18097 4928 1 8 . 1 1 72 72 GLY C C 361 171.400 171.400 172.306 -0.906 18097 4929 1 8 . 1 1 72 72 GLY CA C 361 45.265 45.265 44.860 0.405 18097 4930 1 8 . 1 1 72 72 GLY H H 361 10.408 10.408 8.736 1.672 18097 4931 1 8 . 1 1 73 73 LYS N N 362 118.005 118.005 120.386 -2.381 18097 4932 1 8 . 1 1 73 73 LYS C C 362 175.366 175.366 175.562 -0.196 18097 4933 1 8 . 1 1 73 73 LYS CA C 362 54.621 54.621 55.289 -0.669 18097 4934 1 8 . 1 1 73 73 LYS H H 362 7.310 7.310 8.052 -0.742 18097 4935 1 8 . 1 1 74 74 HIS N N 363 118.405 118.405 119.362 -0.957 18097 4936 1 8 . 1 1 74 74 HIS HA H 363 4.880 4.880 5.384 -0.504 18097 4937 1 8 . 1 1 74 74 HIS C C 363 172.467 172.467 173.457 -0.990 18097 4938 1 8 . 1 1 74 74 HIS CA C 363 56.371 56.371 55.038 1.333 18097 4939 1 8 . 1 1 74 74 HIS H H 363 8.399 8.399 8.686 -0.287 18097 4940 1 8 . 1 1 75 75 TYR N N 364 125.182 125.182 124.075 1.107 18097 4941 1 8 . 1 1 75 75 TYR C C 364 172.852 172.852 172.975 -0.123 18097 4942 1 8 . 1 1 75 75 TYR CA C 364 55.361 55.361 56.274 -0.913 18097 4943 1 8 . 1 1 75 75 TYR H H 364 8.153 8.153 8.790 -0.637 18097 4944 1 8 . 1 1 76 76 TRP N N 365 123.210 123.210 124.039 -0.829 18097 4945 1 8 . 1 1 76 76 TRP C C 365 171.510 171.510 172.882 -1.372 18097 4946 1 8 . 1 1 76 76 TRP CA C 365 57.549 57.549 55.712 1.837 18097 4947 1 8 . 1 1 76 76 TRP H H 365 7.621 7.621 7.582 0.039 18097 4948 1 8 . 1 1 78 78 VAL N N 367 122.416 122.416 121.860 0.556 18097 4949 1 8 . 1 1 78 78 VAL HA H 367 4.756 4.756 4.731 0.025 18097 4950 1 8 . 1 1 78 78 VAL C C 367 174.461 174.461 174.123 0.338 18097 4951 1 8 . 1 1 78 78 VAL CA C 367 60.208 60.208 61.154 -0.946 18097 4952 1 8 . 1 1 78 78 VAL H H 367 8.910 8.910 8.950 -0.040 18097 4953 1 8 . 1 1 79 79 ASP N N 368 128.257 128.257 127.145 1.112 18097 4954 1 8 . 1 1 79 79 ASP C C 368 175.343 175.343 175.611 -0.268 18097 4955 1 8 . 1 1 79 79 ASP CA C 368 53.914 53.914 53.244 0.670 18097 4956 1 8 . 1 1 79 79 ASP H H 368 9.795 9.795 9.097 0.698 18097 4957 1 8 . 1 1 80 80 VAL N N 369 118.519 118.519 120.320 -1.801 18097 4958 1 8 . 1 1 80 80 VAL C C 369 176.131 176.131 175.309 0.822 18097 4959 1 8 . 1 1 80 80 VAL CA C 369 59.027 59.027 60.305 -1.278 18097 4960 1 8 . 1 1 80 80 VAL H H 369 8.394 8.394 7.693 0.701 18097 4961 1 8 . 1 1 81 81 SER N N 370 123.584 123.584 120.005 3.579 18097 4962 1 8 . 1 1 81 81 SER C C 370 174.829 174.829 175.044 -0.215 18097 4963 1 8 . 1 1 81 81 SER CA C 370 61.285 61.285 59.014 2.271 18097 4964 1 8 . 1 1 81 81 SER H H 370 8.754 8.754 8.456 0.298 18097 4965 1 8 . 1 1 82 82 LYS N N 371 115.025 115.025 120.153 -5.128 18097 4966 1 8 . 1 1 82 82 LYS C C 371 175.922 175.922 175.753 0.169 18097 4967 1 8 . 1 1 82 82 LYS CA C 371 58.222 58.222 57.902 0.320 18097 4968 1 8 . 1 1 82 82 LYS H H 371 8.789 8.789 8.907 -0.118 18097 4969 1 8 . 1 1 83 83 LYS N N 372 117.904 117.904 119.847 -1.943 18097 4970 1 8 . 1 1 83 83 LYS C C 372 177.824 177.824 177.335 0.489 18097 4971 1 8 . 1 1 83 83 LYS CA C 372 57.784 57.784 56.199 1.585 18097 4972 1 8 . 1 1 83 83 LYS H H 372 7.825 7.825 7.546 0.279 18097 4973 1 8 . 1 1 84 84 SER N N 373 122.569 122.569 116.919 5.650 18097 4974 1 8 . 1 1 84 84 SER HA H 373 4.348 4.348 4.473 -0.125 18097 4975 1 8 . 1 1 84 84 SER C C 373 172.270 172.270 173.010 -0.740 18097 4976 1 8 . 1 1 84 84 SER CA C 373 58.996 58.996 57.891 1.105 18097 4977 1 8 . 1 1 84 84 SER H H 373 9.839 9.839 8.633 1.206 18097 4978 1 8 . 1 1 85 85 ALA N N 374 120.821 120.821 120.343 0.478 18097 4979 1 8 . 1 1 85 85 ALA C C 374 174.253 174.253 174.749 -0.496 18097 4980 1 8 . 1 1 85 85 ALA CA C 374 51.020 51.020 51.760 -0.740 18097 4981 1 8 . 1 1 85 85 ALA H H 374 7.130 7.130 7.345 -0.215 18097 4982 1 8 . 1 1 86 86 TRP N N 375 109.378 109.378 116.012 -6.634 18097 4983 1 8 . 1 1 86 86 TRP C C 375 176.096 176.096 173.273 2.823 18097 4984 1 8 . 1 1 86 86 TRP CA C 375 56.909 56.909 56.493 0.416 18097 4985 1 8 . 1 1 86 86 TRP H H 375 7.876 7.876 7.662 0.214 18097 4986 1 8 . 1 1 87 87 ILE N N 376 118.409 118.409 121.646 -3.237 18097 4987 1 8 . 1 1 87 87 ILE C C 376 175.405 175.405 174.822 0.583 18097 4988 1 8 . 1 1 87 87 ILE CA C 376 60.679 60.679 59.875 0.804 18097 4989 1 8 . 1 1 87 87 ILE H H 376 9.270 9.270 9.153 0.117 18097 4990 1 8 . 1 1 88 88 LEU N N 377 122.952 122.952 121.940 1.012 18097 4991 1 8 . 1 1 88 88 LEU C C 377 174.967 174.967 175.958 -0.991 18097 4992 1 8 . 1 1 88 88 LEU CA C 377 54.520 54.520 53.212 1.308 18097 4993 1 8 . 1 1 88 88 LEU H H 377 9.422 9.422 8.651 0.771 18097 4994 1 8 . 1 1 89 89 GLY N N 378 103.446 103.446 108.269 -4.823 18097 4995 1 8 . 1 1 89 89 GLY C C 378 171.976 171.976 172.775 -0.799 18097 4996 1 8 . 1 1 89 89 GLY CA C 378 47.251 47.251 46.731 0.520 18097 4997 1 8 . 1 1 89 89 GLY H H 378 8.366 8.366 8.709 -0.343 18097 4998 1 8 . 1 1 90 90 VAL N N 379 130.348 130.348 120.833 9.515 18097 4999 1 8 . 1 1 90 90 VAL HA H 379 4.164 4.164 5.142 -0.978 18097 5000 1 8 . 1 1 90 90 VAL C C 379 172.847 172.847 173.893 -1.046 18097 5001 1 8 . 1 1 90 90 VAL CA C 379 60.477 60.477 61.404 -0.927 18097 5002 1 8 . 1 1 90 90 VAL H H 379 9.224 9.224 8.526 0.698 18097 5003 1 8 . 1 1 91 91 CYS N N 380 122.658 122.658 123.580 -0.922 18097 5004 1 8 . 1 1 91 91 CYS C C 380 173.630 173.630 173.337 0.293 18097 5005 1 8 . 1 1 91 91 CYS CA C 380 55.429 55.429 55.994 -0.565 18097 5006 1 8 . 1 1 91 91 CYS H H 380 9.398 9.398 9.353 0.045 18097 5007 1 8 . 1 1 92 92 ALA N N 381 127.998 127.998 126.174 1.824 18097 5008 1 8 . 1 1 92 92 ALA HA H 381 5.049 5.049 5.127 -0.078 18097 5009 1 8 . 1 1 92 92 ALA C C 381 176.479 176.479 176.354 0.125 18097 5010 1 8 . 1 1 92 92 ALA CA C 381 52.400 52.400 51.136 1.264 18097 5011 1 8 . 1 1 92 92 ALA H H 381 9.478 9.478 7.958 1.520 18097 5012 1 8 . 1 1 93 93 GLY N N 382 108.533 108.533 105.572 2.961 18097 5013 1 8 . 1 1 93 93 GLY C C 382 173.580 173.580 173.032 0.548 18097 5014 1 8 . 1 1 93 93 GLY CA C 382 43.212 43.212 44.177 -0.965 18097 5015 1 8 . 1 1 93 93 GLY H H 382 8.194 8.194 7.193 1.001 18097 5016 1 8 . 1 1 94 94 PHE N N 383 116.476 116.476 118.426 -1.950 18097 5017 1 8 . 1 1 94 94 PHE HA H 383 4.536 4.536 4.961 -0.425 18097 5018 1 8 . 1 1 94 94 PHE C C 383 178.079 178.079 176.856 1.223 18097 5019 1 8 . 1 1 94 94 PHE CA C 383 56.627 56.627 56.408 0.219 18097 5020 1 8 . 1 1 94 94 PHE H H 383 8.290 8.290 8.255 0.035 18097 5021 1 8 . 1 1 105 105 ASN N N 394 112.033 112.033 116.482 -4.449 18097 5022 1 8 . 1 1 105 105 ASN HA H 394 4.715 4.715 4.929 -0.214 18097 5023 1 8 . 1 1 105 105 ASN C C 394 173.835 173.835 173.597 0.238 18097 5024 1 8 . 1 1 105 105 ASN CA C 394 51.929 51.929 52.035 -0.105 18097 5025 1 8 . 1 1 105 105 ASN H H 394 6.912 6.912 7.631 -0.719 18097 5026 1 8 . 1 1 106 106 GLU N N 395 117.585 117.585 116.374 1.211 18097 5027 1 8 . 1 1 106 106 GLU C C 395 175.574 175.574 175.030 0.544 18097 5028 1 8 . 1 1 106 106 GLU CA C 395 56.808 56.808 57.018 -0.210 18097 5029 1 8 . 1 1 106 106 GLU H H 395 7.354 7.354 7.684 -0.330 18097 5030 1 8 . 1 1 107 107 ASN N N 396 118.664 118.664 118.175 0.489 18097 5031 1 8 . 1 1 107 107 ASN HA H 396 4.536 4.536 4.656 -0.120 18097 5032 1 8 . 1 1 107 107 ASN C C 396 173.441 173.441 173.678 -0.237 18097 5033 1 8 . 1 1 107 107 ASN CA C 396 50.448 50.448 51.538 -1.090 18097 5034 1 8 . 1 1 107 107 ASN H H 396 8.082 8.082 7.522 0.560 18097 5035 1 8 . 1 1 108 108 TYR N N 397 117.301 117.301 120.801 -3.500 18097 5036 1 8 . 1 1 108 108 TYR HA H 397 4.605 4.605 3.901 0.704 18097 5037 1 8 . 1 1 108 108 TYR C C 397 173.186 173.186 174.720 -1.534 18097 5038 1 8 . 1 1 108 108 TYR CA C 397 55.530 55.530 58.273 -2.743 18097 5039 1 8 . 1 1 108 108 TYR H H 397 6.101 6.101 7.170 -1.069 18097 5040 1 8 . 1 1 109 109 GLN N N 398 114.934 114.934 120.912 -5.978 18097 5041 1 8 . 1 1 109 109 GLN C C 398 175.064 175.064 174.071 0.993 18097 5042 1 8 . 1 1 109 109 GLN CA C 398 53.241 53.241 52.767 0.474 18097 5043 1 8 . 1 1 109 109 GLN H H 398 6.115 6.115 8.372 -2.257 18097 5044 1 8 . 1 1 111 111 LYS N N 400 120.723 120.723 115.616 5.107 18097 5045 1 8 . 1 1 111 111 LYS HA H 400 4.068 4.068 3.989 0.079 18097 5046 1 8 . 1 1 111 111 LYS C C 400 177.244 177.244 177.132 0.112 18097 5047 1 8 . 1 1 111 111 LYS CA C 400 58.289 58.289 58.070 0.219 18097 5048 1 8 . 1 1 111 111 LYS H H 400 10.775 10.775 8.041 2.734 18097 5049 1 8 . 1 1 112 112 TYR N N 401 120.182 120.182 117.022 3.160 18097 5050 1 8 . 1 1 112 112 TYR HA H 401 3.612 3.612 4.511 -0.899 18097 5051 1 8 . 1 1 112 112 TYR C C 401 175.853 175.853 175.055 0.798 18097 5052 1 8 . 1 1 112 112 TYR CA C 401 53.847 53.847 56.217 -2.370 18097 5053 1 8 . 1 1 112 112 TYR H H 401 7.647 7.647 7.510 0.137 18097 5054 1 8 . 1 1 113 113 GLY N N 402 107.764 107.764 106.662 1.102 18097 5055 1 8 . 1 1 113 113 GLY C C 402 171.679 171.679 172.410 -0.731 18097 5056 1 8 . 1 1 113 113 GLY CA C 402 45.972 45.972 44.845 1.127 18097 5057 1 8 . 1 1 113 113 GLY H H 402 8.057 8.057 7.068 0.989 18097 5058 1 8 . 1 1 114 114 TYR N N 403 115.659 115.659 118.466 -2.807 18097 5059 1 8 . 1 1 114 114 TYR C C 403 173.013 173.013 174.837 -1.824 18097 5060 1 8 . 1 1 114 114 TYR CA C 403 57.515 57.515 56.688 0.827 18097 5061 1 8 . 1 1 114 114 TYR H H 403 6.585 6.585 7.049 -0.464 18097 5062 1 8 . 1 1 115 115 TRP N N 404 125.437 125.437 127.021 -1.584 18097 5063 1 8 . 1 1 115 115 TRP C C 404 175.405 175.405 174.539 0.866 18097 5064 1 8 . 1 1 115 115 TRP CA C 404 57.650 57.650 55.848 1.802 18097 5065 1 8 . 1 1 115 115 TRP H H 404 8.420 8.420 9.061 -0.641 18097 5066 1 8 . 1 1 116 116 VAL N N 405 116.317 116.317 116.339 -0.022 18097 5067 1 8 . 1 1 116 116 VAL C C 405 174.368 174.368 174.056 0.312 18097 5068 1 8 . 1 1 116 116 VAL CA C 405 58.525 58.525 59.241 -0.716 18097 5069 1 8 . 1 1 116 116 VAL H H 405 9.825 9.825 7.754 2.071 18097 5070 1 8 . 1 1 117 117 ILE N N 406 110.464 110.464 114.364 -3.900 18097 5071 1 8 . 1 1 117 117 ILE C C 406 174.879 174.879 174.513 0.366 18097 5072 1 8 . 1 1 117 117 ILE CA C 406 58.929 58.929 58.710 0.219 18097 5073 1 8 . 1 1 117 117 ILE H H 406 8.268 8.268 8.520 -0.252 18097 5074 1 8 . 1 1 118 118 GLY N N 407 105.424 105.424 108.414 -2.990 18097 5075 1 8 . 1 1 118 118 GLY C C 407 169.418 169.418 170.962 -1.544 18097 5076 1 8 . 1 1 118 118 GLY CA C 407 45.770 45.770 43.707 2.063 18097 5077 1 8 . 1 1 118 118 GLY H H 407 9.115 9.115 8.900 0.215 18097 5078 1 8 . 1 1 119 119 LEU N N 408 118.628 118.628 119.903 -1.275 18097 5079 1 8 . 1 1 119 119 LEU C C 408 176.224 176.224 173.928 2.296 18097 5080 1 8 . 1 1 119 119 LEU CA C 408 52.265 52.265 52.435 -0.170 18097 5081 1 8 . 1 1 119 119 LEU H H 408 7.892 7.892 7.405 0.487 18097 5082 1 8 . 1 1 120 120 GLN N N 409 123.541 123.541 124.141 -0.600 18097 5083 1 8 . 1 1 120 120 GLN HA H 409 4.233 4.233 4.715 -0.482 18097 5084 1 8 . 1 1 120 120 GLN C C 409 173.000 173.000 175.163 -2.163 18097 5085 1 8 . 1 1 120 120 GLN CA C 409 54.284 54.284 54.597 -0.313 18097 5086 1 8 . 1 1 120 120 GLN H H 409 8.375 8.375 8.441 -0.066 18097 5087 1 8 . 1 1 121 121 GLU N N 410 117.179 117.179 120.593 -3.414 18097 5088 1 8 . 1 1 121 121 GLU C C 410 176.800 176.800 176.342 0.458 18097 5089 1 8 . 1 1 121 121 GLU CA C 410 56.809 56.809 57.178 -0.369 18097 5090 1 8 . 1 1 121 121 GLU H H 410 8.864 8.864 9.151 -0.287 18097 5091 1 8 . 1 1 125 125 TYR N N 414 128.783 128.783 123.807 4.976 18097 5092 1 8 . 1 1 125 125 TYR HA H 414 5.192 5.192 5.358 -0.166 18097 5093 1 8 . 1 1 125 125 TYR C C 414 176.827 176.827 176.224 0.603 18097 5094 1 8 . 1 1 125 125 TYR CA C 414 57.212 57.212 57.740 -0.528 18097 5095 1 8 . 1 1 125 125 TYR H H 414 9.145 9.145 8.506 0.639 18097 5096 1 8 . 1 1 126 126 SER N N 415 117.388 117.388 114.685 2.703 18097 5097 1 8 . 1 1 126 126 SER HA H 415 5.049 5.049 5.146 -0.097 18097 5098 1 8 . 1 1 126 126 SER C C 415 170.913 170.913 172.002 -1.089 18097 5099 1 8 . 1 1 126 126 SER CA C 415 57.482 57.482 57.889 -0.407 18097 5100 1 8 . 1 1 126 126 SER H H 415 9.192 9.192 9.150 0.042 18097 5101 1 8 . 1 1 127 127 VAL N N 416 119.557 119.557 120.981 -1.424 18097 5102 1 8 . 1 1 127 127 VAL C C 416 172.653 172.653 173.805 -1.152 18097 5103 1 8 . 1 1 127 127 VAL CA C 416 59.703 59.703 59.663 0.041 18097 5104 1 8 . 1 1 127 127 VAL H H 416 8.761 8.761 8.774 -0.013 18097 5105 1 8 . 1 1 128 128 PHE N N 417 127.341 127.341 129.009 -1.668 18097 5106 1 8 . 1 1 128 128 PHE HA H 417 4.267 4.267 4.608 -0.341 18097 5107 1 8 . 1 1 128 128 PHE C C 417 174.925 174.925 174.775 0.150 18097 5108 1 8 . 1 1 128 128 PHE CA C 417 58.458 58.458 59.385 -0.927 18097 5109 1 8 . 1 1 128 128 PHE H H 417 7.150 7.150 8.410 -1.260 18097 5110 1 8 . 1 1 129 129 GLN N N 418 122.834 122.834 121.132 1.702 18097 5111 1 8 . 1 1 129 129 GLN HA H 418 4.125 4.125 4.753 -0.628 18097 5112 1 8 . 1 1 129 129 GLN C C 418 176.038 176.038 175.058 0.980 18097 5113 1 8 . 1 1 129 129 GLN CA C 418 53.679 53.679 53.927 -0.248 18097 5114 1 8 . 1 1 129 129 GLN H H 418 8.693 8.693 7.716 0.977 18097 5115 1 8 . 1 1 130 130 ASP N N 419 119.994 119.994 120.368 -0.374 18097 5116 1 8 . 1 1 130 130 ASP HA H 419 4.964 4.964 4.692 0.272 18097 5117 1 8 . 1 1 130 130 ASP C C 419 178.218 178.218 176.700 1.518 18097 5118 1 8 . 1 1 130 130 ASP CA C 419 54.991 54.991 55.428 -0.437 18097 5119 1 8 . 1 1 130 130 ASP H H 419 8.425 8.425 8.502 -0.077 18097 5120 1 8 . 1 1 131 131 GLY N N 420 107.499 107.499 109.214 -1.715 18097 5121 1 8 . 1 1 131 131 GLY C C 420 174.415 174.415 173.440 0.975 18097 5122 1 8 . 1 1 131 131 GLY CA C 420 44.735 44.735 43.830 0.905 18097 5123 1 8 . 1 1 131 131 GLY H H 420 8.112 8.112 9.030 -0.918 18097 5124 1 8 . 1 1 132 132 SER N N 421 115.128 115.128 114.229 0.899 18097 5125 1 8 . 1 1 132 132 SER C C 421 176.177 176.177 176.551 -0.374 18097 5126 1 8 . 1 1 132 132 SER CA C 421 57.515 57.515 57.312 0.203 18097 5127 1 8 . 1 1 132 132 SER H H 421 8.016 8.016 8.457 -0.441 18097 5128 1 8 . 1 1 137 137 PHE N N 426 115.968 115.968 115.753 0.215 18097 5129 1 8 . 1 1 137 137 PHE HA H 426 4.525 4.525 4.595 -0.070 18097 5130 1 8 . 1 1 137 137 PHE C C 426 173.511 173.511 175.024 -1.513 18097 5131 1 8 . 1 1 137 137 PHE CA C 426 56.707 56.707 57.681 -0.974 18097 5132 1 8 . 1 1 137 137 PHE H H 426 7.817 7.817 7.663 0.154 18097 5133 1 8 . 1 1 138 138 ALA N N 427 124.435 124.435 121.097 3.338 18097 5134 1 8 . 1 1 138 138 ALA HA H 427 4.219 4.219 4.838 -0.619 18097 5135 1 8 . 1 1 138 138 ALA C C 427 173.835 173.835 174.310 -0.475 18097 5136 1 8 . 1 1 138 138 ALA CA C 427 48.933 48.933 49.453 -0.520 18097 5137 1 8 . 1 1 138 138 ALA H H 427 7.451 7.451 7.645 -0.194 18097 5138 1 8 . 1 1 140 140 PHE N N 429 122.819 122.819 121.932 0.887 18097 5139 1 8 . 1 1 140 140 PHE HA H 429 4.795 4.795 4.736 0.059 18097 5140 1 8 . 1 1 140 140 PHE C C 429 173.232 173.232 174.710 -1.478 18097 5141 1 8 . 1 1 140 140 PHE CA C 429 55.556 55.556 55.764 -0.208 18097 5142 1 8 . 1 1 140 140 PHE H H 429 8.009 8.009 8.100 -0.091 18097 5143 1 8 . 1 1 141 141 ILE N N 430 127.916 127.916 124.614 3.302 18097 5144 1 8 . 1 1 141 141 ILE HA H 430 3.992 3.992 3.700 0.292 18097 5145 1 8 . 1 1 141 141 ILE C C 430 175.459 175.459 175.520 -0.061 18097 5146 1 8 . 1 1 141 141 ILE CA C 430 60.443 60.443 62.231 -1.788 18097 5147 1 8 . 1 1 141 141 ILE H H 430 8.069 8.069 7.684 0.385 18097 5148 1 8 . 1 1 142 142 VAL N N 431 131.283 131.283 127.440 3.843 18097 5149 1 8 . 1 1 142 142 VAL HA H 431 4.261 4.261 4.305 -0.044 18097 5150 1 8 . 1 1 142 142 VAL C C 431 173.580 173.580 173.804 -0.224 18097 5151 1 8 . 1 1 142 142 VAL CA C 431 58.828 58.828 58.495 0.333 18097 5152 1 8 . 1 1 142 142 VAL H H 431 8.332 8.332 8.213 0.119 18097 5153 1 8 . 1 1 145 145 SER N N 434 121.965 121.965 118.862 3.103 18097 5154 1 8 . 1 1 145 145 SER C C 434 174.529 174.529 173.797 0.732 18097 5155 1 8 . 1 1 145 145 SER H H 434 8.546 8.546 8.573 -0.027 18097 5156 1 8 . 1 1 149 149 CYS N N 438 126.863 126.863 127.913 -1.050 18097 5157 1 8 . 1 1 149 149 CYS C C 438 173.441 173.441 173.255 0.186 18097 5158 1 8 . 1 1 149 149 CYS CA C 438 58.256 58.256 58.581 -0.326 18097 5159 1 8 . 1 1 149 149 CYS H H 438 8.557 8.557 8.521 0.036 18097 5160 1 8 . 1 1 151 151 ASP N N 440 123.283 123.283 120.656 2.627 18097 5161 1 8 . 1 1 151 151 ASP HA H 440 4.550 4.550 4.777 -0.227 18097 5162 1 8 . 1 1 151 151 ASP C C 440 175.505 175.505 175.894 -0.389 18097 5163 1 8 . 1 1 151 151 ASP CA C 440 55.227 55.227 54.782 0.445 18097 5164 1 8 . 1 1 151 151 ASP H H 440 9.027 9.027 9.127 -0.100 18097 5165 1 8 . 1 1 152 152 ARG N N 441 116.407 116.407 118.761 -2.354 18097 5166 1 8 . 1 1 152 152 ARG HA H 441 4.316 4.316 4.878 -0.562 18097 5167 1 8 . 1 1 152 152 ARG C C 441 173.858 173.858 173.315 0.543 18097 5168 1 8 . 1 1 152 152 ARG CA C 441 54.486 54.486 55.968 -1.482 18097 5169 1 8 . 1 1 152 152 ARG H H 441 6.962 6.962 7.346 -0.384 18097 5170 1 8 . 1 1 153 153 VAL N N 442 123.155 123.155 126.040 -2.885 18097 5171 1 8 . 1 1 153 153 VAL C C 442 174.967 174.967 174.855 0.112 18097 5172 1 8 . 1 1 153 153 VAL CA C 442 60.174 60.174 60.338 -0.164 18097 5173 1 8 . 1 1 153 153 VAL H H 442 8.689 8.689 8.780 -0.091 18097 5174 1 8 . 1 1 154 154 GLY N N 443 114.213 114.213 114.125 0.088 18097 5175 1 8 . 1 1 154 154 GLY C C 443 171.584 171.584 172.532 -0.948 18097 5176 1 8 . 1 1 154 154 GLY CA C 443 44.827 44.827 43.620 1.208 18097 5177 1 8 . 1 1 154 154 GLY H H 443 9.100 9.100 8.820 0.280 18097 5178 1 8 . 1 1 155 155 VAL N N 444 126.435 126.435 125.509 0.926 18097 5179 1 8 . 1 1 155 155 VAL HA H 444 4.123 4.123 4.623 -0.500 18097 5180 1 8 . 1 1 155 155 VAL C C 444 171.856 171.856 173.659 -1.803 18097 5181 1 8 . 1 1 155 155 VAL CA C 444 60.712 60.712 60.397 0.315 18097 5182 1 8 . 1 1 155 155 VAL H H 444 8.485 8.485 8.330 0.155 18097 5183 1 8 . 1 1 156 156 PHE N N 445 122.110 122.110 128.798 -6.688 18097 5184 1 8 . 1 1 156 156 PHE HA H 445 4.580 4.580 5.417 -0.837 18097 5185 1 8 . 1 1 156 156 PHE C C 445 174.598 174.598 173.467 1.131 18097 5186 1 8 . 1 1 156 156 PHE CA C 445 53.174 53.174 54.708 -1.534 18097 5187 1 8 . 1 1 156 156 PHE H H 445 8.441 8.441 8.641 -0.200 18097 5188 1 8 . 1 1 157 157 VAL N N 446 130.057 130.057 127.290 2.767 18097 5189 1 8 . 1 1 157 157 VAL HA H 446 4.275 4.275 4.622 -0.347 18097 5190 1 8 . 1 1 157 157 VAL C C 446 172.086 172.086 173.498 -1.412 18097 5191 1 8 . 1 1 157 157 VAL CA C 446 59.837 59.837 60.764 -0.927 18097 5192 1 8 . 1 1 157 157 VAL H H 446 9.139 9.139 8.838 0.301 18097 5193 1 8 . 1 1 158 158 ASP N N 447 124.791 124.791 127.378 -2.587 18097 5194 1 8 . 1 1 158 158 ASP HA H 447 4.491 4.491 4.747 -0.256 18097 5195 1 8 . 1 1 158 158 ASP C C 447 176.456 176.456 176.360 0.096 18097 5196 1 8 . 1 1 158 158 ASP CA C 447 51.794 51.794 51.355 0.439 18097 5197 1 8 . 1 1 158 158 ASP H H 447 7.608 7.608 8.416 -0.808 18097 5198 1 8 . 1 1 159 159 TYR N N 448 125.168 125.168 126.539 -1.371 18097 5199 1 8 . 1 1 159 159 TYR HA H 448 3.793 3.793 4.102 -0.309 18097 5200 1 8 . 1 1 159 159 TYR C C 448 177.894 177.894 176.793 1.101 18097 5201 1 8 . 1 1 159 159 TYR CA C 448 61.688 61.688 62.676 -0.988 18097 5202 1 8 . 1 1 159 159 TYR H H 448 8.778 8.778 8.076 0.702 18097 5203 1 8 . 1 1 160 160 GLU N N 449 116.788 116.788 116.779 0.009 18097 5204 1 8 . 1 1 160 160 GLU HA H 449 3.967 3.967 4.017 -0.050 18097 5205 1 8 . 1 1 160 160 GLU C C 449 178.520 178.520 176.875 1.645 18097 5206 1 8 . 1 1 160 160 GLU CA C 449 60.578 60.578 58.914 1.664 18097 5207 1 8 . 1 1 160 160 GLU H H 449 8.003 8.003 8.714 -0.711 18097 5208 1 8 . 1 1 161 161 ALA N N 450 119.184 119.184 118.012 1.172 18097 5209 1 8 . 1 1 161 161 ALA HA H 450 4.026 4.026 4.195 -0.169 18097 5210 1 8 . 1 1 161 161 ALA C C 450 176.664 176.664 177.140 -0.476 18097 5211 1 8 . 1 1 161 161 ALA CA C 450 51.895 51.895 52.417 -0.522 18097 5212 1 8 . 1 1 161 161 ALA H H 450 7.695 7.695 8.303 -0.608 18097 5213 1 8 . 1 1 162 162 CYS N N 451 112.485 112.485 115.512 -3.027 18097 5214 1 8 . 1 1 162 162 CYS C C 451 173.047 173.047 172.827 0.220 18097 5215 1 8 . 1 1 162 162 CYS CA C 451 59.063 59.063 59.034 0.029 18097 5216 1 8 . 1 1 162 162 CYS H H 451 7.880 7.880 8.364 -0.484 18097 5217 1 8 . 1 1 163 163 THR N N 452 106.985 106.985 110.540 -3.555 18097 5218 1 8 . 1 1 163 163 THR C C 452 173.335 173.335 173.186 0.149 18097 5219 1 8 . 1 1 163 163 THR CA C 452 58.727 58.727 60.013 -1.286 18097 5220 1 8 . 1 1 163 163 THR H H 452 7.623 7.623 7.434 0.189 18097 5221 1 8 . 1 1 164 164 VAL N N 453 119.085 119.085 124.081 -4.996 18097 5222 1 8 . 1 1 164 164 VAL C C 453 174.741 174.741 175.123 -0.382 18097 5223 1 8 . 1 1 164 164 VAL CA C 453 61.756 61.756 60.842 0.914 18097 5224 1 8 . 1 1 164 164 VAL H H 453 7.900 7.900 8.612 -0.712 18097 5225 1 8 . 1 1 165 165 SER N N 454 121.792 121.792 123.598 -1.806 18097 5226 1 8 . 1 1 165 165 SER C C 454 170.888 170.888 173.043 -2.155 18097 5227 1 8 . 1 1 165 165 SER CA C 454 57.482 57.482 56.657 0.824 18097 5228 1 8 . 1 1 165 165 SER H H 454 9.034 9.034 8.896 0.138 18097 5229 1 8 . 1 1 166 166 PHE N N 455 117.889 117.889 120.632 -2.743 18097 5230 1 8 . 1 1 166 166 PHE C C 455 175.064 175.064 174.397 0.667 18097 5231 1 8 . 1 1 166 166 PHE CA C 455 55.361 55.361 56.445 -1.084 18097 5232 1 8 . 1 1 166 166 PHE H H 455 8.076 8.076 8.810 -0.734 18097 5233 1 8 . 1 1 167 167 PHE N N 456 121.297 121.297 121.447 -0.150 18097 5234 1 8 . 1 1 167 167 PHE C C 456 175.018 175.018 175.415 -0.397 18097 5235 1 8 . 1 1 167 167 PHE CA C 456 56.808 56.808 56.471 0.337 18097 5236 1 8 . 1 1 167 167 PHE H H 456 10.023 10.023 9.320 0.703 18097 5237 1 8 . 1 1 168 168 ASN N N 457 120.535 120.535 122.441 -1.906 18097 5238 1 8 . 1 1 168 168 ASN HA H 457 4.591 4.591 5.113 -0.522 18097 5239 1 8 . 1 1 168 168 ASN C C 457 175.157 175.157 176.052 -0.895 18097 5240 1 8 . 1 1 168 168 ASN CA C 457 51.659 51.659 50.590 1.069 18097 5241 1 8 . 1 1 168 168 ASN H H 457 9.646 9.646 8.920 0.726 18097 5242 1 8 . 1 1 169 169 ILE N N 458 124.615 124.615 124.316 0.299 18097 5243 1 8 . 1 1 169 169 ILE C C 458 176.548 176.548 177.293 -0.745 18097 5244 1 8 . 1 1 169 169 ILE CA C 458 62.698 62.698 63.779 -1.081 18097 5245 1 8 . 1 1 169 169 ILE H H 458 7.792 7.792 8.086 -0.294 18097 5246 1 8 . 1 1 170 170 THR N N 459 114.704 114.704 111.854 2.850 18097 5247 1 8 . 1 1 170 170 THR HA H 459 4.004 4.004 4.097 -0.093 18097 5248 1 8 . 1 1 170 170 THR C C 459 173.719 173.719 175.089 -1.370 18097 5249 1 8 . 1 1 170 170 THR CA C 459 64.549 64.549 64.392 0.157 18097 5250 1 8 . 1 1 170 170 THR H H 459 7.382 7.382 7.825 -0.443 18097 5251 1 8 . 1 1 171 171 ASN N N 460 119.172 119.172 119.396 -0.224 18097 5252 1 8 . 1 1 171 171 ASN HA H 460 4.770 4.770 4.883 -0.113 18097 5253 1 8 . 1 1 171 171 ASN C C 460 173.835 173.835 174.247 -0.412 18097 5254 1 8 . 1 1 171 171 ASN CA C 460 49.674 49.674 51.225 -1.551 18097 5255 1 8 . 1 1 171 171 ASN H H 460 7.079 7.079 8.499 -1.420 18097 5256 1 8 . 1 1 172 172 HIS N N 461 111.334 111.334 116.900 -5.566 18097 5257 1 8 . 1 1 172 172 HIS HA H 461 3.942 3.942 4.040 -0.098 18097 5258 1 8 . 1 1 172 172 HIS C C 461 174.114 174.114 174.897 -0.783 18097 5259 1 8 . 1 1 172 172 HIS CA C 461 57.313 57.313 57.718 -0.405 18097 5260 1 8 . 1 1 172 172 HIS H H 461 7.350 7.350 7.785 -0.435 18097 5261 1 8 . 1 1 173 173 GLY N N 462 105.400 105.400 105.770 -0.370 18097 5262 1 8 . 1 1 173 173 GLY C C 462 173.603 173.603 174.463 -0.860 18097 5263 1 8 . 1 1 173 173 GLY CA C 462 47.486 47.486 45.532 1.954 18097 5264 1 8 . 1 1 173 173 GLY H H 462 7.818 7.818 7.913 -0.095 18097 5265 1 8 . 1 1 174 174 PHE N N 463 120.249 120.249 118.828 1.421 18097 5266 1 8 . 1 1 174 174 PHE HA H 463 4.423 4.423 4.538 -0.115 18097 5267 1 8 . 1 1 174 174 PHE C C 463 176.502 176.502 176.443 0.059 18097 5268 1 8 . 1 1 174 174 PHE CA C 463 57.549 57.549 57.926 -0.377 18097 5269 1 8 . 1 1 174 174 PHE H H 463 7.626 7.626 8.077 -0.451 18097 5270 1 8 . 1 1 175 175 LEU N N 464 125.969 125.969 125.284 0.685 18097 5271 1 8 . 1 1 175 175 LEU C C 464 176.780 176.780 176.301 0.479 18097 5272 1 8 . 1 1 175 175 LEU CA C 464 56.068 56.068 56.138 -0.070 18097 5273 1 8 . 1 1 175 175 LEU H H 464 8.561 8.561 8.682 -0.121 18097 5274 1 8 . 1 1 176 176 ILE N N 465 126.876 126.876 126.627 0.249 18097 5275 1 8 . 1 1 176 176 ILE C C 465 175.528 175.528 175.252 0.276 18097 5276 1 8 . 1 1 176 176 ILE CA C 465 63.169 63.169 63.639 -0.471 18097 5277 1 8 . 1 1 176 176 ILE H H 465 9.330 9.330 8.960 0.370 18097 5278 1 8 . 1 1 177 177 TYR N N 466 115.047 115.047 117.720 -2.673 18097 5279 1 8 . 1 1 177 177 TYR HA H 466 4.068 4.068 4.629 -0.561 18097 5280 1 8 . 1 1 177 177 TYR C C 466 171.006 171.006 172.736 -1.730 18097 5281 1 8 . 1 1 177 177 TYR CA C 466 59.097 59.097 57.179 1.918 18097 5282 1 8 . 1 1 177 177 TYR H H 466 7.212 7.212 7.530 -0.318 18097 5283 1 8 . 1 1 178 178 LYS N N 467 127.911 127.911 124.134 3.777 18097 5284 1 8 . 1 1 178 178 LYS C C 467 175.273 175.273 174.378 0.895 18097 5285 1 8 . 1 1 178 178 LYS CA C 467 54.520 54.520 55.273 -0.753 18097 5286 1 8 . 1 1 178 178 LYS H H 467 6.811 6.811 7.070 -0.259 18097 5287 1 8 . 1 1 179 179 PHE N N 468 126.383 126.383 126.951 -0.568 18097 5288 1 8 . 1 1 179 179 PHE HA H 468 4.632 4.632 4.705 -0.073 18097 5289 1 8 . 1 1 179 179 PHE C C 468 175.336 175.336 174.547 0.789 18097 5290 1 8 . 1 1 179 179 PHE CA C 468 58.289 58.289 58.672 -0.383 18097 5291 1 8 . 1 1 179 179 PHE H H 468 9.651 9.651 9.485 0.166 18097 5292 1 8 . 1 1 180 180 SER N N 469 115.506 115.506 116.566 -1.060 18097 5293 1 8 . 1 1 180 180 SER HA H 469 4.837 4.837 4.785 0.052 18097 5294 1 8 . 1 1 180 180 SER C C 469 172.861 172.861 174.469 -1.608 18097 5295 1 8 . 1 1 180 180 SER CA C 469 56.707 56.707 57.266 -0.559 18097 5296 1 8 . 1 1 180 180 SER H H 469 8.485 8.485 8.559 -0.074 18097 5297 1 8 . 1 1 181 181 GLN N N 470 117.133 117.133 118.030 -0.897 18097 5298 1 8 . 1 1 181 181 GLN HA H 470 3.629 3.629 3.812 -0.183 18097 5299 1 8 . 1 1 181 181 GLN C C 470 176.015 176.015 174.521 1.494 18097 5300 1 8 . 1 1 181 181 GLN CA C 470 56.472 56.472 56.786 -0.314 18097 5301 1 8 . 1 1 181 181 GLN H H 470 9.298 9.298 8.545 0.753 18097 5302 1 8 . 1 1 182 182 CYS N N 471 116.032 116.032 118.215 -2.183 18097 5303 1 8 . 1 1 182 182 CYS C C 471 175.899 175.899 175.658 0.241 18097 5304 1 8 . 1 1 182 182 CYS CA C 471 60.039 60.039 58.270 1.769 18097 5305 1 8 . 1 1 182 182 CYS H H 471 7.876 7.876 7.603 0.273 18097 5306 1 8 . 1 1 183 183 SER N N 472 118.074 118.074 120.633 -2.559 18097 5307 1 8 . 1 1 183 183 SER HA H 472 4.194 4.194 4.393 -0.199 18097 5308 1 8 . 1 1 183 183 SER C C 472 174.392 174.392 173.728 0.664 18097 5309 1 8 . 1 1 183 183 SER CA C 472 56.337 56.337 58.490 -2.153 18097 5310 1 8 . 1 1 183 183 SER H H 472 8.561 8.561 8.929 -0.368 18097 5311 1 8 . 1 1 184 184 PHE N N 473 125.605 125.605 126.466 -0.861 18097 5312 1 8 . 1 1 184 184 PHE HA H 473 4.825 4.825 4.579 0.246 18097 5313 1 8 . 1 1 184 184 PHE C C 473 175.157 175.157 176.075 -0.918 18097 5314 1 8 . 1 1 184 184 PHE CA C 473 52.534 52.534 54.909 -2.375 18097 5315 1 8 . 1 1 184 184 PHE H H 473 7.275 7.275 8.125 -0.850 18097 5316 1 8 . 1 1 188 188 VAL N N 477 111.123 111.123 118.964 -7.841 18097 5317 1 8 . 1 1 188 188 VAL C C 477 173.279 173.279 174.058 -0.779 18097 5318 1 8 . 1 1 188 188 VAL CA C 477 58.626 58.626 60.153 -1.527 18097 5319 1 8 . 1 1 188 188 VAL H H 477 7.959 7.959 7.799 0.160 18097 5320 1 8 . 1 1 189 189 PHE N N 478 114.592 114.592 118.715 -4.123 18097 5321 1 8 . 1 1 189 189 PHE CA C 478 54.957 54.957 54.344 0.613 18097 5322 1 8 . 1 1 189 189 PHE H H 478 8.774 8.774 9.573 -0.799 18097 5323 1 8 . 1 1 191 191 TYR N N 480 121.836 121.836 126.461 -4.625 18097 5324 1 8 . 1 1 191 191 TYR HA H 480 5.142 5.142 5.111 0.031 18097 5325 1 8 . 1 1 191 191 TYR C C 480 174.693 174.693 174.438 0.255 18097 5326 1 8 . 1 1 191 191 TYR CA C 480 57.078 57.078 57.164 -0.086 18097 5327 1 8 . 1 1 191 191 TYR H H 480 8.356 8.356 8.341 0.015 18097 5328 1 8 . 1 1 192 192 LEU N N 481 129.065 129.065 127.412 1.653 18097 5329 1 8 . 1 1 192 192 LEU HA H 481 4.605 4.605 4.844 -0.239 18097 5330 1 8 . 1 1 192 192 LEU C C 481 174.137 174.137 174.516 -0.379 18097 5331 1 8 . 1 1 192 192 LEU CA C 481 55.563 55.563 54.143 1.420 18097 5332 1 8 . 1 1 192 192 LEU H H 481 8.261 8.261 7.893 0.368 18097 5333 1 8 . 1 1 193 193 ASN N N 482 114.217 114.217 119.271 -5.054 18097 5334 1 8 . 1 1 193 193 ASN CA C 482 49.505 49.505 50.562 -1.057 18097 5335 1 8 . 1 1 193 193 ASN H H 482 8.007 8.007 8.140 -0.133 18097 5336 1 8 . 1 1 198 198 THR N N 487 121.563 121.563 121.764 -0.201 18097 5337 1 8 . 1 1 198 198 THR HA H 487 4.044 4.044 4.198 -0.154 18097 5338 1 8 . 1 1 198 198 THR C C 487 174.206 174.206 174.886 -0.680 18097 5339 1 8 . 1 1 198 198 THR CA C 487 63.203 63.203 63.580 -0.377 18097 5340 1 8 . 1 1 198 198 THR H H 487 8.265 8.265 8.469 -0.204 18097 5341 1 8 . 1 1 199 199 VAL N N 488 129.507 129.507 125.805 3.702 18097 5342 1 8 . 1 1 199 199 VAL C C 488 174.832 174.832 173.993 0.839 18097 5343 1 8 . 1 1 199 199 VAL CA C 488 61.419 61.419 60.837 0.583 18097 5344 1 8 . 1 1 199 199 VAL H H 488 8.737 8.737 7.425 1.312 18097 5345 1 8 . 1 1 201 201 MET N N 490 116.897 116.897 123.212 -6.315 18097 5346 1 8 . 1 1 201 201 MET HA H 490 5.073 5.073 5.213 -0.140 18097 5347 1 8 . 1 1 201 201 MET C C 490 175.180 175.180 175.348 -0.168 18097 5348 1 8 . 1 1 201 201 MET CA C 490 53.712 53.712 54.424 -0.712 18097 5349 1 8 . 1 1 201 201 MET H H 490 8.545 8.545 8.645 -0.100 18097 5350 1 8 . 1 1 202 202 THR N N 491 117.791 117.791 119.612 -1.821 18097 5351 1 8 . 1 1 202 202 THR HA H 491 4.977 4.977 5.015 -0.038 18097 5352 1 8 . 1 1 202 202 THR C C 491 173.981 173.981 174.080 -0.099 18097 5353 1 8 . 1 1 202 202 THR CA C 491 62.058 62.058 61.556 0.502 18097 5354 1 8 . 1 1 202 202 THR H H 491 8.312 8.312 8.239 0.073 18097 5355 1 8 . 1 1 203 203 LEU N N 492 129.237 129.237 122.823 6.414 18097 5356 1 8 . 1 1 203 203 LEU HA H 492 4.756 4.756 5.222 -0.466 18097 5357 1 8 . 1 1 203 203 LEU C C 492 176.131 176.131 177.241 -1.110 18097 5358 1 8 . 1 1 203 203 LEU CA C 492 55.294 55.294 53.537 1.757 18097 5359 1 8 . 1 1 203 203 LEU H H 492 9.048 9.048 8.334 0.714 18097 5360 1 8 . 1 1 204 204 CYS N N 493 122.012 122.012 122.409 -0.397 18097 5361 1 8 . 1 1 204 204 CYS HA H 493 4.577 4.577 4.015 0.562 18097 5362 1 8 . 1 1 204 204 CYS C C 493 174.531 174.531 174.123 0.408 18097 5363 1 8 . 1 1 204 204 CYS CA C 493 58.188 58.188 62.285 -4.097 18097 5364 1 8 . 1 1 204 204 CYS H H 493 8.609 8.609 8.906 -0.297 18097 5365 1 8 . 1 1 205 205 SER N N 494 120.249 120.249 111.425 8.824 18097 5366 1 8 . 1 1 205 205 SER C C 494 171.632 171.632 171.822 -0.190 18097 5367 1 8 . 1 1 205 205 SER CA C 494 56.909 56.909 58.165 -1.256 18097 5368 1 8 . 1 1 205 205 SER H H 494 8.665 8.665 8.416 0.249 18097 5369 1 9 . 1 1 3 3 GLU N N 292 122.345 122.345 122.379 -0.034 18097 5370 1 9 . 1 1 3 3 GLU HA H 292 3.992 3.992 3.994 -0.002 18097 5371 1 9 . 1 1 3 3 GLU C C 292 178.218 178.218 177.762 0.456 18097 5372 1 9 . 1 1 3 3 GLU CA C 292 58.828 58.828 59.562 -0.735 18097 5373 1 9 . 1 1 3 3 GLU H H 292 8.831 8.831 8.557 0.274 18097 5374 1 9 . 1 1 4 4 LEU N N 293 121.001 121.001 118.333 2.668 18097 5375 1 9 . 1 1 4 4 LEU C C 293 177.175 177.175 177.621 -0.446 18097 5376 1 9 . 1 1 4 4 LEU CA C 293 57.044 57.044 57.281 -0.236 18097 5377 1 9 . 1 1 4 4 LEU H H 293 7.976 7.976 7.960 0.016 18097 5378 1 9 . 1 1 5 5 THR N N 294 113.069 113.069 113.959 -0.890 18097 5379 1 9 . 1 1 5 5 THR HA H 294 3.916 3.916 3.715 0.201 18097 5380 1 9 . 1 1 5 5 THR C C 294 176.200 176.200 175.373 0.827 18097 5381 1 9 . 1 1 5 5 THR CA C 294 66.164 66.164 66.456 -0.292 18097 5382 1 9 . 1 1 5 5 THR H H 294 7.535 7.535 7.490 0.045 18097 5383 1 9 . 1 1 6 6 ASP N N 295 119.926 119.926 119.770 0.156 18097 5384 1 9 . 1 1 6 6 ASP HA H 295 4.085 4.085 4.355 -0.270 18097 5385 1 9 . 1 1 6 6 ASP C C 295 177.314 177.314 177.993 -0.679 18097 5386 1 9 . 1 1 6 6 ASP CA C 295 56.808 56.808 56.316 0.492 18097 5387 1 9 . 1 1 6 6 ASP H H 295 7.530 7.530 7.978 -0.448 18097 5388 1 9 . 1 1 7 7 ALA N N 296 121.726 121.726 122.358 -0.632 18097 5389 1 9 . 1 1 7 7 ALA HA H 296 4.109 4.109 3.447 0.662 18097 5390 1 9 . 1 1 7 7 ALA C C 296 178.659 178.659 179.116 -0.457 18097 5391 1 9 . 1 1 7 7 ALA CA C 296 54.655 54.655 53.859 0.796 18097 5392 1 9 . 1 1 7 7 ALA H H 296 7.227 7.227 6.992 0.235 18097 5393 1 9 . 1 1 8 8 ARG N N 297 112.468 112.468 116.477 -4.009 18097 5394 1 9 . 1 1 8 8 ARG C C 297 178.033 178.033 177.956 0.077 18097 5395 1 9 . 1 1 8 8 ARG CA C 297 58.424 58.424 57.881 0.543 18097 5396 1 9 . 1 1 8 8 ARG H H 297 7.370 7.370 7.327 0.043 18097 5397 1 9 . 1 1 9 9 ARG N N 298 118.926 118.926 118.559 0.367 18097 5398 1 9 . 1 1 9 9 ARG HA H 298 3.832 3.832 3.908 -0.076 18097 5399 1 9 . 1 1 9 9 ARG C C 298 176.827 176.827 176.934 -0.107 18097 5400 1 9 . 1 1 9 9 ARG CA C 298 58.289 58.289 58.183 0.106 18097 5401 1 9 . 1 1 9 9 ARG H H 298 7.059 7.059 7.104 -0.045 18097 5402 1 9 . 1 1 10 10 TYR N N 299 118.201 118.201 116.188 2.013 18097 5403 1 9 . 1 1 10 10 TYR HA H 299 4.853 4.853 4.741 0.112 18097 5404 1 9 . 1 1 10 10 TYR C C 299 174.832 174.832 174.364 0.468 18097 5405 1 9 . 1 1 10 10 TYR CA C 299 56.943 56.943 56.131 0.812 18097 5406 1 9 . 1 1 10 10 TYR H H 299 7.800 7.800 7.440 0.360 18097 5407 1 9 . 1 1 11 11 TRP N N 300 123.427 123.427 123.187 0.240 18097 5408 1 9 . 1 1 11 11 TRP HA H 300 4.577 4.577 5.319 -0.742 18097 5409 1 9 . 1 1 11 11 TRP C C 300 177.082 177.082 176.777 0.305 18097 5410 1 9 . 1 1 11 11 TRP CA C 300 58.558 58.558 58.558 0.000 18097 5411 1 9 . 1 1 11 11 TRP H H 300 7.122 7.122 7.656 -0.534 18097 5412 1 9 . 1 1 13 13 ASP N N 302 122.160 122.160 123.628 -1.468 18097 5413 1 9 . 1 1 13 13 ASP HA H 302 4.605 4.605 4.735 -0.130 18097 5414 1 9 . 1 1 13 13 ASP C C 302 174.786 174.786 175.847 -1.061 18097 5415 1 9 . 1 1 13 13 ASP CA C 302 53.005 53.005 54.135 -1.130 18097 5416 1 9 . 1 1 13 13 ASP H H 302 8.496 8.496 8.624 -0.128 18097 5417 1 9 . 1 1 14 14 VAL N N 303 126.934 126.934 126.241 0.693 18097 5418 1 9 . 1 1 14 14 VAL HA H 303 4.096 4.096 4.192 -0.096 18097 5419 1 9 . 1 1 14 14 VAL C C 303 174.670 174.670 175.655 -0.985 18097 5420 1 9 . 1 1 14 14 VAL CA C 303 62.429 62.429 61.438 0.992 18097 5421 1 9 . 1 1 14 14 VAL H H 303 7.877 7.877 8.127 -0.250 18097 5422 1 9 . 1 1 15 15 THR N N 304 114.829 114.829 118.757 -3.928 18097 5423 1 9 . 1 1 15 15 THR HA H 304 4.536 4.536 4.765 -0.229 18097 5424 1 9 . 1 1 15 15 THR C C 304 173.951 173.951 174.102 -0.151 18097 5425 1 9 . 1 1 15 15 THR CA C 304 58.592 58.592 60.132 -1.540 18097 5426 1 9 . 1 1 15 15 THR H H 304 8.321 8.321 8.258 0.063 18097 5427 1 9 . 1 1 16 16 LEU N N 305 121.392 121.392 125.103 -3.711 18097 5428 1 9 . 1 1 16 16 LEU HA H 305 4.322 4.322 4.504 -0.182 18097 5429 1 9 . 1 1 16 16 LEU C C 305 175.876 175.876 176.683 -0.807 18097 5430 1 9 . 1 1 16 16 LEU CA C 305 54.526 54.526 54.898 -0.372 18097 5431 1 9 . 1 1 16 16 LEU H H 305 8.967 8.967 8.514 0.453 18097 5432 1 9 . 1 1 17 17 ALA N N 306 124.039 124.039 126.100 -2.061 18097 5433 1 9 . 1 1 17 17 ALA HA H 306 4.385 4.385 4.749 -0.364 18097 5434 1 9 . 1 1 17 17 ALA C C 306 177.360 177.360 176.878 0.482 18097 5435 1 9 . 1 1 17 17 ALA CA C 306 50.515 50.515 50.689 -0.174 18097 5436 1 9 . 1 1 17 17 ALA H H 306 8.409 8.409 8.289 0.120 18097 5437 1 9 . 1 1 18 18 THR N N 307 114.041 114.041 116.171 -2.130 18097 5438 1 9 . 1 1 18 18 THR HA H 307 4.398 4.398 4.272 0.126 18097 5439 1 9 . 1 1 18 18 THR C C 307 174.206 174.206 173.790 0.416 18097 5440 1 9 . 1 1 18 18 THR CA C 307 61.722 61.722 62.450 -0.728 18097 5441 1 9 . 1 1 18 18 THR H H 307 8.146 8.146 8.404 -0.258 18097 5442 1 9 . 1 1 19 19 ASN N N 308 119.841 119.841 124.239 -4.398 18097 5443 1 9 . 1 1 19 19 ASN HA H 308 4.687 4.687 4.818 -0.131 18097 5444 1 9 . 1 1 19 19 ASN C C 308 174.577 174.577 174.994 -0.417 18097 5445 1 9 . 1 1 19 19 ASN CA C 308 52.871 52.871 52.453 0.417 18097 5446 1 9 . 1 1 19 19 ASN H H 308 8.470 8.470 8.448 0.022 18097 5447 1 9 . 1 1 38 38 PRO HA H 327 4.207 4.207 4.334 -0.127 18097 5448 1 9 . 1 1 38 38 PRO C C 327 176.641 176.641 178.314 -1.673 18097 5449 1 9 . 1 1 38 38 PRO CA C 327 63.443 63.443 63.312 0.131 18097 5450 1 9 . 1 1 38 38 PRO CB C 327 31.714 31.714 32.022 -0.308 18097 5451 1 9 . 1 1 39 39 GLN N N 328 118.424 118.424 118.029 0.395 18097 5452 1 9 . 1 1 39 39 GLN HA H 328 4.111 4.111 4.032 0.079 18097 5453 1 9 . 1 1 39 39 GLN C C 328 175.853 175.853 176.016 -0.163 18097 5454 1 9 . 1 1 39 39 GLN CA C 328 56.136 56.136 58.352 -2.216 18097 5455 1 9 . 1 1 39 39 GLN CB C 328 28.981 28.981 28.497 0.484 18097 5456 1 9 . 1 1 39 39 GLN H H 328 8.139 8.139 8.669 -0.530 18097 5457 1 9 . 1 1 40 40 ILE N N 329 119.966 119.966 108.865 11.101 18097 5458 1 9 . 1 1 40 40 ILE HA H 329 3.998 3.998 4.559 -0.561 18097 5459 1 9 . 1 1 40 40 ILE C C 329 175.690 175.690 175.560 0.130 18097 5460 1 9 . 1 1 40 40 ILE CA C 329 60.601 60.601 58.675 1.926 18097 5461 1 9 . 1 1 40 40 ILE CB C 329 38.274 38.274 36.985 1.289 18097 5462 1 9 . 1 1 40 40 ILE H H 329 7.688 7.688 7.772 -0.084 18097 5463 1 9 . 1 1 41 41 MET N N 330 123.189 123.189 121.685 1.504 18097 5464 1 9 . 1 1 41 41 MET HA H 330 4.286 4.286 3.450 0.836 18097 5465 1 9 . 1 1 41 41 MET C C 330 175.389 175.389 174.640 0.749 18097 5466 1 9 . 1 1 41 41 MET CA C 330 55.046 55.046 56.590 -1.544 18097 5467 1 9 . 1 1 41 41 MET CB C 330 32.499 32.499 30.990 1.509 18097 5468 1 9 . 1 1 41 41 MET H H 330 8.044 8.044 8.163 -0.119 18097 5469 1 9 . 1 1 42 42 TYR N N 331 121.297 121.297 111.030 10.267 18097 5470 1 9 . 1 1 42 42 TYR HA H 331 4.398 4.398 4.108 0.290 18097 5471 1 9 . 1 1 42 42 TYR C C 331 174.879 174.879 174.900 -0.021 18097 5472 1 9 . 1 1 42 42 TYR CA C 331 57.599 57.599 58.942 -1.343 18097 5473 1 9 . 1 1 42 42 TYR CB C 331 38.825 38.825 34.634 4.191 18097 5474 1 9 . 1 1 42 42 TYR H H 331 8.024 8.024 8.164 -0.140 18097 5475 1 9 . 1 1 43 43 GLN N N 332 122.431 122.431 117.287 5.144 18097 5476 1 9 . 1 1 43 43 GLN HA H 332 4.148 4.148 4.326 -0.178 18097 5477 1 9 . 1 1 43 43 GLN C C 332 174.345 174.345 176.137 -1.792 18097 5478 1 9 . 1 1 43 43 GLN CA C 332 54.714 54.714 55.229 -0.515 18097 5479 1 9 . 1 1 43 43 GLN CB C 332 29.741 29.741 30.161 -0.420 18097 5480 1 9 . 1 1 43 43 GLN H H 332 7.894 7.894 7.715 0.179 18097 5481 1 9 . 1 1 44 44 ALA N N 333 126.670 126.670 125.781 0.889 18097 5482 1 9 . 1 1 44 44 ALA HA H 333 4.367 4.367 4.190 0.177 18097 5483 1 9 . 1 1 44 44 ALA C C 333 175.459 175.459 176.283 -0.824 18097 5484 1 9 . 1 1 44 44 ALA CA C 333 50.358 50.358 52.126 -1.768 18097 5485 1 9 . 1 1 44 44 ALA CB C 333 17.603 17.603 18.187 -0.584 18097 5486 1 9 . 1 1 44 44 ALA H H 333 8.141 8.141 7.608 0.533 18097 5487 1 9 . 1 1 45 45 PRO HA H 334 4.273 4.273 4.239 0.034 18097 5488 1 9 . 1 1 45 45 PRO CA C 334 63.318 63.318 62.907 0.411 18097 5489 1 9 . 1 1 45 45 PRO CB C 334 31.697 31.697 30.648 1.048 18097 5490 1 9 . 1 1 46 46 GLY N N 335 109.630 109.630 108.339 1.291 18097 5491 1 9 . 1 1 46 46 GLY C C 335 174.322 174.322 175.125 -0.803 18097 5492 1 9 . 1 1 46 46 GLY CA C 335 45.255 45.255 45.480 -0.225 18097 5493 1 9 . 1 1 46 46 GLY H H 335 8.478 8.478 8.379 0.099 18097 5494 1 9 . 1 1 47 47 THR N N 336 113.015 113.015 118.343 -5.328 18097 5495 1 9 . 1 1 47 47 THR HA H 336 4.210 4.210 4.388 -0.178 18097 5496 1 9 . 1 1 47 47 THR C C 336 174.067 174.067 174.803 -0.736 18097 5497 1 9 . 1 1 47 47 THR CA C 336 61.547 61.547 64.560 -3.013 18097 5498 1 9 . 1 1 47 47 THR CB C 336 69.516 69.516 69.498 0.019 18097 5499 1 9 . 1 1 47 47 THR H H 336 7.734 7.734 8.309 -0.575 18097 5500 1 9 . 1 1 48 48 LEU N N 337 123.635 123.635 114.364 9.271 18097 5501 1 9 . 1 1 48 48 LEU HA H 337 4.152 4.152 4.167 -0.015 18097 5502 1 9 . 1 1 48 48 LEU C C 337 176.618 176.618 177.117 -0.499 18097 5503 1 9 . 1 1 48 48 LEU CA C 337 55.025 55.025 56.486 -1.461 18097 5504 1 9 . 1 1 48 48 LEU CB C 337 42.098 42.098 40.445 1.653 18097 5505 1 9 . 1 1 48 48 LEU H H 337 8.087 8.087 7.727 0.360 18097 5506 1 9 . 1 1 49 49 PHE N N 338 120.255 120.255 121.171 -0.916 18097 5507 1 9 . 1 1 49 49 PHE HA H 338 4.496 4.496 4.337 0.159 18097 5508 1 9 . 1 1 49 49 PHE C C 338 175.227 175.227 176.230 -1.003 18097 5509 1 9 . 1 1 49 49 PHE CA C 338 57.234 57.234 61.603 -4.369 18097 5510 1 9 . 1 1 49 49 PHE CB C 338 39.290 39.290 38.883 0.407 18097 5511 1 9 . 1 1 49 49 PHE H H 338 8.017 8.017 8.695 -0.678 18097 5512 1 9 . 1 1 50 50 THR N N 339 115.141 115.141 110.742 4.399 18097 5513 1 9 . 1 1 50 50 THR HA H 339 4.137 4.137 4.023 0.114 18097 5514 1 9 . 1 1 50 50 THR C C 339 173.255 173.255 174.135 -0.880 18097 5515 1 9 . 1 1 50 50 THR CA C 339 61.244 61.244 64.564 -3.320 18097 5516 1 9 . 1 1 50 50 THR CB C 339 69.643 69.643 67.670 1.973 18097 5517 1 9 . 1 1 50 50 THR H H 339 7.741 7.741 8.161 -0.420 18097 5518 1 9 . 1 1 51 51 PHE N N 340 122.603 122.603 113.949 8.654 18097 5519 1 9 . 1 1 51 51 PHE HA H 340 4.571 4.571 4.525 0.046 18097 5520 1 9 . 1 1 51 51 PHE C C 340 173.858 173.858 172.401 1.457 18097 5521 1 9 . 1 1 51 51 PHE CA C 340 56.874 56.874 55.270 1.604 18097 5522 1 9 . 1 1 51 51 PHE CB C 340 39.250 39.250 37.663 1.587 18097 5523 1 9 . 1 1 51 51 PHE H H 340 7.996 7.996 7.238 0.758 18097 5524 1 9 . 1 1 52 52 PRO HA H 341 4.278 4.278 4.018 0.260 18097 5525 1 9 . 1 1 52 52 PRO CA C 341 63.297 63.297 63.505 -0.208 18097 5526 1 9 . 1 1 52 52 PRO CB C 341 31.190 31.190 30.824 0.366 18097 5527 1 9 . 1 1 53 53 SER N N 342 114.918 114.918 118.390 -3.472 18097 5528 1 9 . 1 1 53 53 SER HA H 342 4.334 4.334 4.259 0.075 18097 5529 1 9 . 1 1 53 53 SER C C 342 174.508 174.508 175.633 -1.125 18097 5530 1 9 . 1 1 53 53 SER CA C 342 58.019 58.019 60.929 -2.910 18097 5531 1 9 . 1 1 53 53 SER CB C 342 63.587 63.587 62.991 0.596 18097 5532 1 9 . 1 1 53 53 SER H H 342 8.119 8.119 8.201 -0.082 18097 5533 1 9 . 1 1 54 54 LEU N N 343 123.426 123.426 115.654 7.772 18097 5534 1 9 . 1 1 54 54 LEU HA H 343 4.307 4.307 4.121 0.186 18097 5535 1 9 . 1 1 54 54 LEU C C 343 177.314 177.314 177.730 -0.416 18097 5536 1 9 . 1 1 54 54 LEU CA C 343 55.224 55.224 56.503 -1.279 18097 5537 1 9 . 1 1 54 54 LEU CB C 343 41.934 41.934 41.471 0.463 18097 5538 1 9 . 1 1 54 54 LEU H H 343 8.180 8.180 7.610 0.570 18097 5539 1 9 . 1 1 55 55 THR N N 344 112.921 112.921 109.773 3.148 18097 5540 1 9 . 1 1 55 55 THR HA H 344 4.144 4.144 4.210 -0.066 18097 5541 1 9 . 1 1 55 55 THR C C 344 173.928 173.928 174.970 -1.042 18097 5542 1 9 . 1 1 55 55 THR CA C 344 61.565 61.565 62.212 -0.647 18097 5543 1 9 . 1 1 55 55 THR CB C 344 69.396 69.396 69.980 -0.584 18097 5544 1 9 . 1 1 55 55 THR H H 344 7.911 7.911 7.561 0.350 18097 5545 1 9 . 1 1 56 56 ASN N N 345 119.978 119.978 119.619 0.359 18097 5546 1 9 . 1 1 56 56 ASN HA H 345 4.482 4.482 4.291 0.191 18097 5547 1 9 . 1 1 56 56 ASN C C 345 174.137 174.137 175.662 -1.525 18097 5548 1 9 . 1 1 56 56 ASN CA C 345 52.938 52.938 55.922 -2.984 18097 5549 1 9 . 1 1 56 56 ASN CB C 345 38.110 38.110 37.497 0.613 18097 5550 1 9 . 1 1 56 56 ASN H H 345 8.097 8.097 8.701 -0.605 18097 5551 1 9 . 1 1 57 57 PHE N N 346 120.030 120.030 123.765 -3.735 18097 5552 1 9 . 1 1 57 57 PHE HA H 346 4.482 4.482 4.478 0.004 18097 5553 1 9 . 1 1 57 57 PHE C C 346 174.693 174.693 174.260 0.433 18097 5554 1 9 . 1 1 57 57 PHE CA C 346 57.381 57.381 58.219 -0.839 18097 5555 1 9 . 1 1 57 57 PHE CB C 346 39.313 39.313 37.470 1.843 18097 5556 1 9 . 1 1 57 57 PHE H H 346 7.919 7.919 8.136 -0.217 18097 5557 1 9 . 1 1 58 58 ASN N N 347 125.759 125.759 120.187 5.572 18097 5558 1 9 . 1 1 58 58 ASN CA C 347 57.145 57.145 52.742 4.403 18097 5559 1 9 . 1 1 58 58 ASN H H 347 7.656 7.656 8.095 -0.439 18097 5560 1 9 . 1 1 64 64 LEU N N 353 120.532 120.532 120.815 -0.283 18097 5561 1 9 . 1 1 64 64 LEU HA H 353 4.398 4.398 5.341 -0.943 18097 5562 1 9 . 1 1 64 64 LEU C C 353 178.380 178.380 177.083 1.297 18097 5563 1 9 . 1 1 64 64 LEU CA C 353 51.933 51.933 52.545 -0.613 18097 5564 1 9 . 1 1 64 64 LEU H H 353 8.518 8.518 8.780 -0.262 18097 5565 1 9 . 1 1 65 65 GLY N N 354 102.514 102.514 106.543 -4.029 18097 5566 1 9 . 1 1 65 65 GLY C C 354 172.884 172.884 174.413 -1.529 18097 5567 1 9 . 1 1 65 65 GLY CA C 354 44.491 44.491 44.864 -0.373 18097 5568 1 9 . 1 1 65 65 GLY H H 354 8.051 8.051 8.104 -0.053 18097 5569 1 9 . 1 1 66 66 SER N N 355 113.869 113.869 112.890 0.979 18097 5570 1 9 . 1 1 66 66 SER HA H 355 4.015 4.015 4.287 -0.272 18097 5571 1 9 . 1 1 66 66 SER C C 355 174.276 174.276 175.005 -0.729 18097 5572 1 9 . 1 1 66 66 SER CA C 355 59.770 59.770 59.709 0.061 18097 5573 1 9 . 1 1 66 66 SER H H 355 8.724 8.724 8.489 0.235 18097 5574 1 9 . 1 1 67 67 GLN N N 356 121.985 121.985 120.858 1.127 18097 5575 1 9 . 1 1 67 67 GLN HA H 356 4.474 4.474 4.647 -0.173 18097 5576 1 9 . 1 1 67 67 GLN C C 356 173.905 173.905 174.559 -0.654 18097 5577 1 9 . 1 1 67 67 GLN CA C 356 54.655 54.655 54.761 -0.106 18097 5578 1 9 . 1 1 67 67 GLN H H 356 7.995 7.995 8.061 -0.066 18097 5579 1 9 . 1 1 68 68 SER N N 357 118.695 118.695 117.134 1.561 18097 5580 1 9 . 1 1 68 68 SER HA H 357 4.852 4.852 3.699 1.153 18097 5581 1 9 . 1 1 68 68 SER C C 357 173.835 173.835 173.911 -0.076 18097 5582 1 9 . 1 1 68 68 SER CA C 357 56.472 56.472 56.751 -0.279 18097 5583 1 9 . 1 1 68 68 SER H H 357 8.145 8.145 8.440 -0.295 18097 5584 1 9 . 1 1 69 69 ILE N N 358 123.370 123.370 121.935 1.435 18097 5585 1 9 . 1 1 69 69 ILE C C 358 175.018 175.018 174.869 0.149 18097 5586 1 9 . 1 1 69 69 ILE CA C 358 60.780 60.780 60.623 0.157 18097 5587 1 9 . 1 1 69 69 ILE H H 358 8.813 8.813 8.102 0.711 18097 5588 1 9 . 1 1 70 70 THR N N 359 113.324 113.324 115.703 -2.379 18097 5589 1 9 . 1 1 70 70 THR HA H 359 3.967 3.967 3.354 0.613 18097 5590 1 9 . 1 1 70 70 THR C C 359 172.026 172.026 173.082 -1.056 18097 5591 1 9 . 1 1 70 70 THR CA C 359 59.366 59.366 60.259 -0.893 18097 5592 1 9 . 1 1 70 70 THR H H 359 8.250 8.250 8.375 -0.125 18097 5593 1 9 . 1 1 71 71 SER N N 360 111.494 111.494 114.140 -2.646 18097 5594 1 9 . 1 1 71 71 SER HA H 360 4.085 4.085 4.439 -0.354 18097 5595 1 9 . 1 1 71 71 SER C C 360 173.835 173.835 173.284 0.551 18097 5596 1 9 . 1 1 71 71 SER CA C 360 57.818 57.818 58.261 -0.443 18097 5597 1 9 . 1 1 71 71 SER H H 360 6.964 6.964 6.971 -0.007 18097 5598 1 9 . 1 1 72 72 GLY N N 361 112.909 112.909 108.314 4.595 18097 5599 1 9 . 1 1 72 72 GLY C C 361 171.400 171.400 172.391 -0.991 18097 5600 1 9 . 1 1 72 72 GLY CA C 361 45.265 45.265 44.877 0.388 18097 5601 1 9 . 1 1 72 72 GLY H H 361 10.408 10.408 8.702 1.706 18097 5602 1 9 . 1 1 73 73 LYS N N 362 118.005 118.005 120.388 -2.383 18097 5603 1 9 . 1 1 73 73 LYS C C 362 175.366 175.366 175.565 -0.199 18097 5604 1 9 . 1 1 73 73 LYS CA C 362 54.621 54.621 55.291 -0.670 18097 5605 1 9 . 1 1 73 73 LYS H H 362 7.310 7.310 8.054 -0.744 18097 5606 1 9 . 1 1 74 74 HIS N N 363 118.405 118.405 119.364 -0.959 18097 5607 1 9 . 1 1 74 74 HIS HA H 363 4.880 4.880 5.387 -0.507 18097 5608 1 9 . 1 1 74 74 HIS C C 363 172.467 172.467 173.461 -0.994 18097 5609 1 9 . 1 1 74 74 HIS CA C 363 56.371 56.371 55.041 1.330 18097 5610 1 9 . 1 1 74 74 HIS H H 363 8.399 8.399 8.689 -0.290 18097 5611 1 9 . 1 1 75 75 TYR N N 364 125.182 125.182 124.079 1.103 18097 5612 1 9 . 1 1 75 75 TYR C C 364 172.852 172.852 172.979 -0.127 18097 5613 1 9 . 1 1 75 75 TYR CA C 364 55.361 55.361 56.277 -0.916 18097 5614 1 9 . 1 1 75 75 TYR H H 364 8.153 8.153 8.794 -0.641 18097 5615 1 9 . 1 1 76 76 TRP N N 365 123.210 123.210 124.043 -0.833 18097 5616 1 9 . 1 1 76 76 TRP C C 365 171.510 171.510 172.887 -1.377 18097 5617 1 9 . 1 1 76 76 TRP CA C 365 57.549 57.549 55.717 1.832 18097 5618 1 9 . 1 1 76 76 TRP H H 365 7.621 7.621 7.587 0.034 18097 5619 1 9 . 1 1 78 78 VAL N N 367 122.416 122.416 121.526 0.890 18097 5620 1 9 . 1 1 78 78 VAL HA H 367 4.756 4.756 4.799 -0.043 18097 5621 1 9 . 1 1 78 78 VAL C C 367 174.461 174.461 174.129 0.332 18097 5622 1 9 . 1 1 78 78 VAL CA C 367 60.208 60.208 60.462 -0.255 18097 5623 1 9 . 1 1 78 78 VAL H H 367 8.910 8.910 8.916 -0.006 18097 5624 1 9 . 1 1 79 79 ASP N N 368 128.257 128.257 128.023 0.234 18097 5625 1 9 . 1 1 79 79 ASP C C 368 175.343 175.343 175.548 -0.205 18097 5626 1 9 . 1 1 79 79 ASP CA C 368 53.914 53.914 53.174 0.740 18097 5627 1 9 . 1 1 79 79 ASP H H 368 9.795 9.795 9.127 0.668 18097 5628 1 9 . 1 1 80 80 VAL N N 369 118.519 118.519 121.318 -2.799 18097 5629 1 9 . 1 1 80 80 VAL C C 369 176.131 176.131 175.195 0.936 18097 5630 1 9 . 1 1 80 80 VAL CA C 369 59.027 59.027 60.374 -1.347 18097 5631 1 9 . 1 1 80 80 VAL H H 369 8.394 8.394 7.781 0.613 18097 5632 1 9 . 1 1 81 81 SER N N 370 123.584 123.584 120.452 3.132 18097 5633 1 9 . 1 1 81 81 SER C C 370 174.829 174.829 174.994 -0.165 18097 5634 1 9 . 1 1 81 81 SER CA C 370 61.285 61.285 58.838 2.447 18097 5635 1 9 . 1 1 81 81 SER H H 370 8.754 8.754 8.439 0.315 18097 5636 1 9 . 1 1 82 82 LYS N N 371 115.025 115.025 120.022 -4.997 18097 5637 1 9 . 1 1 82 82 LYS C C 371 175.922 175.922 175.814 0.108 18097 5638 1 9 . 1 1 82 82 LYS CA C 371 58.222 58.222 57.919 0.303 18097 5639 1 9 . 1 1 82 82 LYS H H 371 8.789 8.789 8.902 -0.113 18097 5640 1 9 . 1 1 83 83 LYS N N 372 117.904 117.904 119.863 -1.959 18097 5641 1 9 . 1 1 83 83 LYS C C 372 177.824 177.824 177.439 0.385 18097 5642 1 9 . 1 1 83 83 LYS CA C 372 57.784 57.784 56.350 1.434 18097 5643 1 9 . 1 1 83 83 LYS H H 372 7.825 7.825 7.548 0.277 18097 5644 1 9 . 1 1 84 84 SER N N 373 122.569 122.569 117.162 5.407 18097 5645 1 9 . 1 1 84 84 SER HA H 373 4.348 4.348 4.461 -0.113 18097 5646 1 9 . 1 1 84 84 SER C C 373 172.270 172.270 173.018 -0.748 18097 5647 1 9 . 1 1 84 84 SER CA C 373 58.996 58.996 58.154 0.842 18097 5648 1 9 . 1 1 84 84 SER H H 373 9.839 9.839 8.630 1.209 18097 5649 1 9 . 1 1 85 85 ALA N N 374 120.821 120.821 121.002 -0.181 18097 5650 1 9 . 1 1 85 85 ALA C C 374 174.253 174.253 174.688 -0.435 18097 5651 1 9 . 1 1 85 85 ALA CA C 374 51.020 51.020 51.699 -0.679 18097 5652 1 9 . 1 1 85 85 ALA H H 374 7.130 7.130 7.391 -0.261 18097 5653 1 9 . 1 1 86 86 TRP N N 375 109.378 109.378 116.025 -6.647 18097 5654 1 9 . 1 1 86 86 TRP C C 375 176.096 176.096 173.293 2.803 18097 5655 1 9 . 1 1 86 86 TRP CA C 375 56.909 56.909 56.512 0.397 18097 5656 1 9 . 1 1 86 86 TRP H H 375 7.876 7.876 7.675 0.201 18097 5657 1 9 . 1 1 87 87 ILE N N 376 118.409 118.409 121.670 -3.261 18097 5658 1 9 . 1 1 87 87 ILE C C 376 175.405 175.405 174.843 0.562 18097 5659 1 9 . 1 1 87 87 ILE CA C 376 60.679 60.679 59.897 0.782 18097 5660 1 9 . 1 1 87 87 ILE H H 376 9.270 9.270 9.179 0.091 18097 5661 1 9 . 1 1 88 88 LEU N N 377 122.952 122.952 121.957 0.995 18097 5662 1 9 . 1 1 88 88 LEU C C 377 174.967 174.967 175.971 -1.004 18097 5663 1 9 . 1 1 88 88 LEU CA C 377 54.520 54.520 53.227 1.294 18097 5664 1 9 . 1 1 88 88 LEU H H 377 9.422 9.422 8.666 0.756 18097 5665 1 9 . 1 1 89 89 GLY N N 378 103.446 103.446 108.204 -4.758 18097 5666 1 9 . 1 1 89 89 GLY C C 378 171.976 171.976 172.614 -0.638 18097 5667 1 9 . 1 1 89 89 GLY CA C 378 47.251 47.251 46.799 0.452 18097 5668 1 9 . 1 1 89 89 GLY H H 378 8.366 8.366 8.741 -0.375 18097 5669 1 9 . 1 1 90 90 VAL N N 379 130.348 130.348 120.634 9.714 18097 5670 1 9 . 1 1 90 90 VAL HA H 379 4.164 4.164 5.271 -1.107 18097 5671 1 9 . 1 1 90 90 VAL C C 379 172.847 172.847 174.051 -1.204 18097 5672 1 9 . 1 1 90 90 VAL CA C 379 60.477 60.477 61.758 -1.281 18097 5673 1 9 . 1 1 90 90 VAL H H 379 9.224 9.224 8.460 0.764 18097 5674 1 9 . 1 1 91 91 CYS N N 380 122.658 122.658 123.641 -0.983 18097 5675 1 9 . 1 1 91 91 CYS C C 380 173.630 173.630 173.488 0.142 18097 5676 1 9 . 1 1 91 91 CYS CA C 380 55.429 55.429 55.835 -0.406 18097 5677 1 9 . 1 1 91 91 CYS H H 380 9.398 9.398 9.369 0.029 18097 5678 1 9 . 1 1 92 92 ALA N N 381 127.998 127.998 125.461 2.537 18097 5679 1 9 . 1 1 92 92 ALA HA H 381 5.049 5.049 5.132 -0.083 18097 5680 1 9 . 1 1 92 92 ALA C C 381 176.479 176.479 176.377 0.102 18097 5681 1 9 . 1 1 92 92 ALA CA C 381 52.400 52.400 51.158 1.242 18097 5682 1 9 . 1 1 92 92 ALA H H 381 9.478 9.478 7.995 1.483 18097 5683 1 9 . 1 1 93 93 GLY N N 382 108.533 108.533 105.683 2.850 18097 5684 1 9 . 1 1 93 93 GLY C C 382 173.580 173.580 172.999 0.581 18097 5685 1 9 . 1 1 93 93 GLY CA C 382 43.212 43.212 44.222 -1.010 18097 5686 1 9 . 1 1 93 93 GLY H H 382 8.194 8.194 7.251 0.943 18097 5687 1 9 . 1 1 94 94 PHE N N 383 116.476 116.476 118.429 -1.953 18097 5688 1 9 . 1 1 94 94 PHE HA H 383 4.536 4.536 4.961 -0.425 18097 5689 1 9 . 1 1 94 94 PHE C C 383 178.079 178.079 176.847 1.232 18097 5690 1 9 . 1 1 94 94 PHE CA C 383 56.627 56.627 56.407 0.220 18097 5691 1 9 . 1 1 94 94 PHE H H 383 8.290 8.290 8.254 0.036 18097 5692 1 9 . 1 1 105 105 ASN N N 394 112.033 112.033 115.975 -3.942 18097 5693 1 9 . 1 1 105 105 ASN HA H 394 4.715 4.715 4.805 -0.090 18097 5694 1 9 . 1 1 105 105 ASN C C 394 173.835 173.835 173.933 -0.098 18097 5695 1 9 . 1 1 105 105 ASN CA C 394 51.929 51.929 51.920 0.008 18097 5696 1 9 . 1 1 105 105 ASN H H 394 6.912 6.912 7.581 -0.669 18097 5697 1 9 . 1 1 106 106 GLU N N 395 117.585 117.585 116.379 1.206 18097 5698 1 9 . 1 1 106 106 GLU C C 395 175.574 175.574 175.051 0.523 18097 5699 1 9 . 1 1 106 106 GLU CA C 395 56.808 56.808 57.053 -0.245 18097 5700 1 9 . 1 1 106 106 GLU H H 395 7.354 7.354 7.677 -0.323 18097 5701 1 9 . 1 1 107 107 ASN N N 396 118.664 118.664 118.183 0.481 18097 5702 1 9 . 1 1 107 107 ASN HA H 396 4.536 4.536 4.665 -0.129 18097 5703 1 9 . 1 1 107 107 ASN C C 396 173.441 173.441 173.684 -0.243 18097 5704 1 9 . 1 1 107 107 ASN CA C 396 50.448 50.448 51.543 -1.095 18097 5705 1 9 . 1 1 107 107 ASN H H 396 8.082 8.082 7.523 0.559 18097 5706 1 9 . 1 1 108 108 TYR N N 397 117.301 117.301 120.814 -3.513 18097 5707 1 9 . 1 1 108 108 TYR HA H 397 4.605 4.605 3.908 0.697 18097 5708 1 9 . 1 1 108 108 TYR C C 397 173.186 173.186 174.728 -1.542 18097 5709 1 9 . 1 1 108 108 TYR CA C 397 55.530 55.530 58.284 -2.754 18097 5710 1 9 . 1 1 108 108 TYR H H 397 6.101 6.101 7.186 -1.085 18097 5711 1 9 . 1 1 109 109 GLN N N 398 114.934 114.934 120.917 -5.983 18097 5712 1 9 . 1 1 109 109 GLN C C 398 175.064 175.064 174.074 0.990 18097 5713 1 9 . 1 1 109 109 GLN CA C 398 53.241 53.241 52.771 0.470 18097 5714 1 9 . 1 1 109 109 GLN H H 398 6.115 6.115 8.377 -2.262 18097 5715 1 9 . 1 1 111 111 LYS N N 400 120.723 120.723 115.162 5.561 18097 5716 1 9 . 1 1 111 111 LYS HA H 400 4.068 4.068 4.037 0.031 18097 5717 1 9 . 1 1 111 111 LYS C C 400 177.244 177.244 177.267 -0.023 18097 5718 1 9 . 1 1 111 111 LYS CA C 400 58.289 58.289 58.127 0.162 18097 5719 1 9 . 1 1 111 111 LYS H H 400 10.775 10.775 7.989 2.786 18097 5720 1 9 . 1 1 112 112 TYR N N 401 120.182 120.182 117.642 2.540 18097 5721 1 9 . 1 1 112 112 TYR HA H 401 3.612 3.612 4.599 -0.987 18097 5722 1 9 . 1 1 112 112 TYR C C 401 175.853 175.853 174.873 0.980 18097 5723 1 9 . 1 1 112 112 TYR CA C 401 53.847 53.847 56.102 -2.255 18097 5724 1 9 . 1 1 112 112 TYR H H 401 7.647 7.647 7.548 0.099 18097 5725 1 9 . 1 1 113 113 GLY N N 402 107.764 107.764 106.700 1.064 18097 5726 1 9 . 1 1 113 113 GLY C C 402 171.679 171.679 172.408 -0.729 18097 5727 1 9 . 1 1 113 113 GLY CA C 402 45.972 45.972 44.839 1.133 18097 5728 1 9 . 1 1 113 113 GLY H H 402 8.057 8.057 7.074 0.983 18097 5729 1 9 . 1 1 114 114 TYR N N 403 115.659 115.659 118.470 -2.811 18097 5730 1 9 . 1 1 114 114 TYR C C 403 173.013 173.013 174.843 -1.830 18097 5731 1 9 . 1 1 114 114 TYR CA C 403 57.515 57.515 56.694 0.821 18097 5732 1 9 . 1 1 114 114 TYR H H 403 6.585 6.585 7.052 -0.467 18097 5733 1 9 . 1 1 115 115 TRP N N 404 125.437 125.437 126.990 -1.553 18097 5734 1 9 . 1 1 115 115 TRP C C 404 175.405 175.405 174.719 0.686 18097 5735 1 9 . 1 1 115 115 TRP CA C 404 57.650 57.650 55.726 1.924 18097 5736 1 9 . 1 1 115 115 TRP H H 404 8.420 8.420 9.078 -0.658 18097 5737 1 9 . 1 1 116 116 VAL N N 405 116.317 116.317 116.879 -0.562 18097 5738 1 9 . 1 1 116 116 VAL C C 405 174.368 174.368 174.000 0.368 18097 5739 1 9 . 1 1 116 116 VAL CA C 405 58.525 58.525 59.766 -1.241 18097 5740 1 9 . 1 1 116 116 VAL H H 405 9.825 9.825 7.764 2.061 18097 5741 1 9 . 1 1 117 117 ILE N N 406 110.464 110.464 114.812 -4.348 18097 5742 1 9 . 1 1 117 117 ILE C C 406 174.879 174.879 174.849 0.030 18097 5743 1 9 . 1 1 117 117 ILE CA C 406 58.929 58.929 58.545 0.384 18097 5744 1 9 . 1 1 117 117 ILE H H 406 8.268 8.268 8.516 -0.248 18097 5745 1 9 . 1 1 118 118 GLY N N 407 105.424 105.424 108.427 -3.003 18097 5746 1 9 . 1 1 118 118 GLY C C 407 169.418 169.418 170.974 -1.556 18097 5747 1 9 . 1 1 118 118 GLY CA C 407 45.770 45.770 43.722 2.048 18097 5748 1 9 . 1 1 118 118 GLY H H 407 9.115 9.115 8.912 0.203 18097 5749 1 9 . 1 1 119 119 LEU N N 408 118.628 118.628 119.915 -1.287 18097 5750 1 9 . 1 1 119 119 LEU C C 408 176.224 176.224 173.935 2.289 18097 5751 1 9 . 1 1 119 119 LEU CA C 408 52.265 52.265 52.441 -0.176 18097 5752 1 9 . 1 1 119 119 LEU H H 408 7.892 7.892 7.418 0.474 18097 5753 1 9 . 1 1 120 120 GLN N N 409 123.541 123.541 124.144 -0.603 18097 5754 1 9 . 1 1 120 120 GLN HA H 409 4.233 4.233 4.711 -0.478 18097 5755 1 9 . 1 1 120 120 GLN C C 409 173.000 173.000 175.160 -2.160 18097 5756 1 9 . 1 1 120 120 GLN CA C 409 54.284 54.284 54.597 -0.313 18097 5757 1 9 . 1 1 120 120 GLN H H 409 8.375 8.375 8.446 -0.071 18097 5758 1 9 . 1 1 121 121 GLU N N 410 117.179 117.179 120.585 -3.406 18097 5759 1 9 . 1 1 121 121 GLU C C 410 176.800 176.800 176.335 0.465 18097 5760 1 9 . 1 1 121 121 GLU CA C 410 56.809 56.809 57.170 -0.362 18097 5761 1 9 . 1 1 121 121 GLU H H 410 8.864 8.864 9.141 -0.277 18097 5762 1 9 . 1 1 125 125 TYR N N 414 128.783 128.783 124.130 4.653 18097 5763 1 9 . 1 1 125 125 TYR HA H 414 5.192 5.192 5.378 -0.186 18097 5764 1 9 . 1 1 125 125 TYR C C 414 176.827 176.827 176.226 0.601 18097 5765 1 9 . 1 1 125 125 TYR CA C 414 57.212 57.212 57.849 -0.637 18097 5766 1 9 . 1 1 125 125 TYR H H 414 9.145 9.145 8.487 0.658 18097 5767 1 9 . 1 1 126 126 SER N N 415 117.388 117.388 114.765 2.623 18097 5768 1 9 . 1 1 126 126 SER HA H 415 5.049 5.049 5.072 -0.023 18097 5769 1 9 . 1 1 126 126 SER C C 415 170.913 170.913 172.018 -1.105 18097 5770 1 9 . 1 1 126 126 SER CA C 415 57.482 57.482 58.130 -0.648 18097 5771 1 9 . 1 1 126 126 SER H H 415 9.192 9.192 9.134 0.058 18097 5772 1 9 . 1 1 127 127 VAL N N 416 119.557 119.557 121.552 -1.995 18097 5773 1 9 . 1 1 127 127 VAL C C 416 172.653 172.653 173.902 -1.249 18097 5774 1 9 . 1 1 127 127 VAL CA C 416 59.703 59.703 59.871 -0.168 18097 5775 1 9 . 1 1 127 127 VAL H H 416 8.761 8.761 8.787 -0.026 18097 5776 1 9 . 1 1 128 128 PHE N N 417 127.341 127.341 129.659 -2.318 18097 5777 1 9 . 1 1 128 128 PHE HA H 417 4.267 4.267 4.694 -0.427 18097 5778 1 9 . 1 1 128 128 PHE C C 417 174.925 174.925 175.015 -0.090 18097 5779 1 9 . 1 1 128 128 PHE CA C 417 58.458 58.458 59.261 -0.803 18097 5780 1 9 . 1 1 128 128 PHE H H 417 7.150 7.150 8.382 -1.232 18097 5781 1 9 . 1 1 129 129 GLN N N 418 122.834 122.834 121.140 1.694 18097 5782 1 9 . 1 1 129 129 GLN HA H 418 4.125 4.125 4.759 -0.634 18097 5783 1 9 . 1 1 129 129 GLN C C 418 176.038 176.038 175.063 0.975 18097 5784 1 9 . 1 1 129 129 GLN CA C 418 53.679 53.679 53.932 -0.253 18097 5785 1 9 . 1 1 129 129 GLN H H 418 8.693 8.693 7.725 0.968 18097 5786 1 9 . 1 1 130 130 ASP N N 419 119.994 119.994 120.372 -0.378 18097 5787 1 9 . 1 1 130 130 ASP HA H 419 4.964 4.964 4.695 0.269 18097 5788 1 9 . 1 1 130 130 ASP C C 419 178.218 178.218 176.704 1.514 18097 5789 1 9 . 1 1 130 130 ASP CA C 419 54.991 54.991 55.430 -0.439 18097 5790 1 9 . 1 1 130 130 ASP H H 419 8.425 8.425 8.506 -0.081 18097 5791 1 9 . 1 1 131 131 GLY N N 420 107.499 107.499 109.133 -1.634 18097 5792 1 9 . 1 1 131 131 GLY C C 420 174.415 174.415 173.286 1.129 18097 5793 1 9 . 1 1 131 131 GLY CA C 420 44.735 44.735 43.796 0.939 18097 5794 1 9 . 1 1 131 131 GLY H H 420 8.112 8.112 9.016 -0.904 18097 5795 1 9 . 1 1 132 132 SER N N 421 115.128 115.128 114.360 0.768 18097 5796 1 9 . 1 1 132 132 SER C C 421 176.177 176.177 176.575 -0.398 18097 5797 1 9 . 1 1 132 132 SER CA C 421 57.515 57.515 57.358 0.156 18097 5798 1 9 . 1 1 132 132 SER H H 421 8.016 8.016 8.418 -0.402 18097 5799 1 9 . 1 1 137 137 PHE N N 426 115.968 115.968 115.750 0.218 18097 5800 1 9 . 1 1 137 137 PHE HA H 426 4.525 4.525 4.585 -0.060 18097 5801 1 9 . 1 1 137 137 PHE C C 426 173.511 173.511 175.023 -1.512 18097 5802 1 9 . 1 1 137 137 PHE CA C 426 56.707 56.707 57.675 -0.968 18097 5803 1 9 . 1 1 137 137 PHE H H 426 7.817 7.817 7.660 0.157 18097 5804 1 9 . 1 1 138 138 ALA N N 427 124.435 124.435 121.099 3.336 18097 5805 1 9 . 1 1 138 138 ALA HA H 427 4.219 4.219 4.847 -0.628 18097 5806 1 9 . 1 1 138 138 ALA C C 427 173.835 173.835 174.316 -0.481 18097 5807 1 9 . 1 1 138 138 ALA CA C 427 48.933 48.933 49.460 -0.527 18097 5808 1 9 . 1 1 138 138 ALA H H 427 7.451 7.451 7.646 -0.195 18097 5809 1 9 . 1 1 140 140 PHE N N 429 122.819 122.819 121.940 0.879 18097 5810 1 9 . 1 1 140 140 PHE HA H 429 4.795 4.795 4.743 0.052 18097 5811 1 9 . 1 1 140 140 PHE C C 429 173.232 173.232 174.718 -1.486 18097 5812 1 9 . 1 1 140 140 PHE CA C 429 55.556 55.556 55.771 -0.215 18097 5813 1 9 . 1 1 140 140 PHE H H 429 8.009 8.009 8.108 -0.099 18097 5814 1 9 . 1 1 141 141 ILE N N 430 127.916 127.916 124.624 3.292 18097 5815 1 9 . 1 1 141 141 ILE HA H 430 3.992 3.992 3.712 0.280 18097 5816 1 9 . 1 1 141 141 ILE C C 430 175.459 175.459 175.526 -0.067 18097 5817 1 9 . 1 1 141 141 ILE CA C 430 60.443 60.443 62.239 -1.796 18097 5818 1 9 . 1 1 141 141 ILE H H 430 8.069 8.069 7.694 0.374 18097 5819 1 9 . 1 1 142 142 VAL N N 431 131.283 131.283 127.427 3.856 18097 5820 1 9 . 1 1 142 142 VAL HA H 431 4.261 4.261 4.311 -0.050 18097 5821 1 9 . 1 1 142 142 VAL C C 431 173.580 173.580 173.812 -0.232 18097 5822 1 9 . 1 1 142 142 VAL CA C 431 58.828 58.828 58.493 0.335 18097 5823 1 9 . 1 1 142 142 VAL H H 431 8.332 8.332 8.225 0.107 18097 5824 1 9 . 1 1 145 145 SER N N 434 121.965 121.965 118.854 3.111 18097 5825 1 9 . 1 1 145 145 SER C C 434 174.529 174.529 173.883 0.646 18097 5826 1 9 . 1 1 145 145 SER H H 434 8.546 8.546 8.579 -0.034 18097 5827 1 9 . 1 1 149 149 CYS N N 438 126.863 126.863 127.566 -0.703 18097 5828 1 9 . 1 1 149 149 CYS C C 438 173.441 173.441 173.232 0.209 18097 5829 1 9 . 1 1 149 149 CYS CA C 438 58.256 58.256 58.150 0.106 18097 5830 1 9 . 1 1 149 149 CYS H H 438 8.557 8.557 8.534 0.023 18097 5831 1 9 . 1 1 151 151 ASP N N 440 123.283 123.283 120.716 2.567 18097 5832 1 9 . 1 1 151 151 ASP HA H 440 4.550 4.550 4.778 -0.228 18097 5833 1 9 . 1 1 151 151 ASP C C 440 175.505 175.505 175.870 -0.365 18097 5834 1 9 . 1 1 151 151 ASP CA C 440 55.227 55.227 54.798 0.429 18097 5835 1 9 . 1 1 151 151 ASP H H 440 9.027 9.027 9.126 -0.099 18097 5836 1 9 . 1 1 152 152 ARG N N 441 116.407 116.407 118.748 -2.341 18097 5837 1 9 . 1 1 152 152 ARG HA H 441 4.316 4.316 4.915 -0.599 18097 5838 1 9 . 1 1 152 152 ARG C C 441 173.858 173.858 173.320 0.538 18097 5839 1 9 . 1 1 152 152 ARG CA C 441 54.486 54.486 55.978 -1.492 18097 5840 1 9 . 1 1 152 152 ARG H H 441 6.962 6.962 7.347 -0.385 18097 5841 1 9 . 1 1 153 153 VAL N N 442 123.155 123.155 126.045 -2.890 18097 5842 1 9 . 1 1 153 153 VAL C C 442 174.967 174.967 174.860 0.107 18097 5843 1 9 . 1 1 153 153 VAL CA C 442 60.174 60.174 60.345 -0.171 18097 5844 1 9 . 1 1 153 153 VAL H H 442 8.689 8.689 8.785 -0.096 18097 5845 1 9 . 1 1 154 154 GLY N N 443 114.213 114.213 114.320 -0.107 18097 5846 1 9 . 1 1 154 154 GLY C C 443 171.584 171.584 172.831 -1.247 18097 5847 1 9 . 1 1 154 154 GLY CA C 443 44.827 44.827 43.687 1.141 18097 5848 1 9 . 1 1 154 154 GLY H H 443 9.100 9.100 8.883 0.217 18097 5849 1 9 . 1 1 155 155 VAL N N 444 126.435 126.435 125.167 1.268 18097 5850 1 9 . 1 1 155 155 VAL HA H 444 4.123 4.123 4.616 -0.493 18097 5851 1 9 . 1 1 155 155 VAL C C 444 171.856 171.856 173.587 -1.731 18097 5852 1 9 . 1 1 155 155 VAL CA C 444 60.712 60.712 60.097 0.615 18097 5853 1 9 . 1 1 155 155 VAL H H 444 8.485 8.485 8.395 0.090 18097 5854 1 9 . 1 1 156 156 PHE N N 445 122.110 122.110 128.942 -6.832 18097 5855 1 9 . 1 1 156 156 PHE HA H 445 4.580 4.580 5.396 -0.816 18097 5856 1 9 . 1 1 156 156 PHE C C 445 174.598 174.598 173.307 1.291 18097 5857 1 9 . 1 1 156 156 PHE CA C 445 53.174 53.174 54.933 -1.759 18097 5858 1 9 . 1 1 156 156 PHE H H 445 8.441 8.441 8.656 -0.215 18097 5859 1 9 . 1 1 157 157 VAL N N 446 130.057 130.057 126.803 3.254 18097 5860 1 9 . 1 1 157 157 VAL HA H 446 4.275 4.275 4.685 -0.410 18097 5861 1 9 . 1 1 157 157 VAL C C 446 172.086 172.086 173.595 -1.509 18097 5862 1 9 . 1 1 157 157 VAL CA C 446 59.837 59.837 60.797 -0.960 18097 5863 1 9 . 1 1 157 157 VAL H H 446 9.139 9.139 8.838 0.301 18097 5864 1 9 . 1 1 158 158 ASP N N 447 124.791 124.791 128.239 -3.448 18097 5865 1 9 . 1 1 158 158 ASP HA H 447 4.491 4.491 4.752 -0.261 18097 5866 1 9 . 1 1 158 158 ASP C C 447 176.456 176.456 176.462 -0.006 18097 5867 1 9 . 1 1 158 158 ASP CA C 447 51.794 51.794 51.319 0.475 18097 5868 1 9 . 1 1 158 158 ASP H H 447 7.608 7.608 8.413 -0.805 18097 5869 1 9 . 1 1 159 159 TYR N N 448 125.168 125.168 126.545 -1.377 18097 5870 1 9 . 1 1 159 159 TYR HA H 448 3.793 3.793 4.105 -0.312 18097 5871 1 9 . 1 1 159 159 TYR C C 448 177.894 177.894 176.789 1.105 18097 5872 1 9 . 1 1 159 159 TYR CA C 448 61.688 61.688 62.676 -0.988 18097 5873 1 9 . 1 1 159 159 TYR H H 448 8.778 8.778 8.080 0.698 18097 5874 1 9 . 1 1 160 160 GLU N N 449 116.788 116.788 116.779 0.009 18097 5875 1 9 . 1 1 160 160 GLU HA H 449 3.967 3.967 4.001 -0.034 18097 5876 1 9 . 1 1 160 160 GLU C C 449 178.520 178.520 177.419 1.101 18097 5877 1 9 . 1 1 160 160 GLU CA C 449 60.578 60.578 59.111 1.467 18097 5878 1 9 . 1 1 160 160 GLU H H 449 8.003 8.003 8.717 -0.714 18097 5879 1 9 . 1 1 161 161 ALA N N 450 119.184 119.184 118.523 0.661 18097 5880 1 9 . 1 1 161 161 ALA HA H 450 4.026 4.026 4.188 -0.162 18097 5881 1 9 . 1 1 161 161 ALA C C 450 176.664 176.664 177.028 -0.364 18097 5882 1 9 . 1 1 161 161 ALA CA C 450 51.895 51.895 52.382 -0.487 18097 5883 1 9 . 1 1 161 161 ALA H H 450 7.695 7.695 8.322 -0.627 18097 5884 1 9 . 1 1 162 162 CYS N N 451 112.485 112.485 115.472 -2.987 18097 5885 1 9 . 1 1 162 162 CYS C C 451 173.047 173.047 172.808 0.239 18097 5886 1 9 . 1 1 162 162 CYS CA C 451 59.063 59.063 59.197 -0.134 18097 5887 1 9 . 1 1 162 162 CYS H H 451 7.880 7.880 8.364 -0.484 18097 5888 1 9 . 1 1 163 163 THR N N 452 106.985 106.985 110.592 -3.607 18097 5889 1 9 . 1 1 163 163 THR C C 452 173.335 173.335 173.176 0.159 18097 5890 1 9 . 1 1 163 163 THR CA C 452 58.727 58.727 60.008 -1.281 18097 5891 1 9 . 1 1 163 163 THR H H 452 7.623 7.623 7.429 0.194 18097 5892 1 9 . 1 1 164 164 VAL N N 453 119.085 119.085 124.270 -5.185 18097 5893 1 9 . 1 1 164 164 VAL C C 453 174.741 174.741 175.136 -0.395 18097 5894 1 9 . 1 1 164 164 VAL CA C 453 61.756 61.756 60.826 0.930 18097 5895 1 9 . 1 1 164 164 VAL H H 453 7.900 7.900 8.614 -0.714 18097 5896 1 9 . 1 1 165 165 SER N N 454 121.792 121.792 123.369 -1.577 18097 5897 1 9 . 1 1 165 165 SER C C 454 170.888 170.888 172.983 -2.095 18097 5898 1 9 . 1 1 165 165 SER CA C 454 57.482 57.482 56.960 0.522 18097 5899 1 9 . 1 1 165 165 SER H H 454 9.034 9.034 8.862 0.172 18097 5900 1 9 . 1 1 166 166 PHE N N 455 117.889 117.889 120.653 -2.764 18097 5901 1 9 . 1 1 166 166 PHE C C 455 175.064 175.064 174.433 0.631 18097 5902 1 9 . 1 1 166 166 PHE CA C 455 55.361 55.361 56.347 -0.987 18097 5903 1 9 . 1 1 166 166 PHE H H 455 8.076 8.076 8.822 -0.746 18097 5904 1 9 . 1 1 167 167 PHE N N 456 121.297 121.297 121.451 -0.154 18097 5905 1 9 . 1 1 167 167 PHE C C 456 175.018 175.018 175.420 -0.402 18097 5906 1 9 . 1 1 167 167 PHE CA C 456 56.808 56.808 56.473 0.335 18097 5907 1 9 . 1 1 167 167 PHE H H 456 10.023 10.023 9.324 0.699 18097 5908 1 9 . 1 1 168 168 ASN N N 457 120.535 120.535 122.444 -1.909 18097 5909 1 9 . 1 1 168 168 ASN HA H 457 4.591 4.591 5.116 -0.525 18097 5910 1 9 . 1 1 168 168 ASN C C 457 175.157 175.157 176.055 -0.898 18097 5911 1 9 . 1 1 168 168 ASN CA C 457 51.659 51.659 50.593 1.066 18097 5912 1 9 . 1 1 168 168 ASN H H 457 9.646 9.646 8.923 0.723 18097 5913 1 9 . 1 1 169 169 ILE N N 458 124.615 124.615 124.478 0.137 18097 5914 1 9 . 1 1 169 169 ILE C C 458 176.548 176.548 177.311 -0.763 18097 5915 1 9 . 1 1 169 169 ILE CA C 458 62.698 62.698 63.739 -1.041 18097 5916 1 9 . 1 1 169 169 ILE H H 458 7.792 7.792 8.132 -0.340 18097 5917 1 9 . 1 1 170 170 THR N N 459 114.704 114.704 111.716 2.988 18097 5918 1 9 . 1 1 170 170 THR HA H 459 4.004 4.004 4.085 -0.081 18097 5919 1 9 . 1 1 170 170 THR C C 459 173.719 173.719 175.168 -1.449 18097 5920 1 9 . 1 1 170 170 THR CA C 459 64.549 64.549 64.830 -0.281 18097 5921 1 9 . 1 1 170 170 THR H H 459 7.382 7.382 7.793 -0.411 18097 5922 1 9 . 1 1 171 171 ASN N N 460 119.172 119.172 119.458 -0.286 18097 5923 1 9 . 1 1 171 171 ASN HA H 460 4.770 4.770 4.870 -0.100 18097 5924 1 9 . 1 1 171 171 ASN C C 460 173.835 173.835 174.265 -0.430 18097 5925 1 9 . 1 1 171 171 ASN CA C 460 49.674 49.674 51.262 -1.588 18097 5926 1 9 . 1 1 171 171 ASN H H 460 7.079 7.079 8.472 -1.393 18097 5927 1 9 . 1 1 172 172 HIS N N 461 111.334 111.334 116.902 -5.568 18097 5928 1 9 . 1 1 172 172 HIS HA H 461 3.942 3.942 4.042 -0.100 18097 5929 1 9 . 1 1 172 172 HIS C C 461 174.114 174.114 174.898 -0.784 18097 5930 1 9 . 1 1 172 172 HIS CA C 461 57.313 57.313 57.719 -0.407 18097 5931 1 9 . 1 1 172 172 HIS H H 461 7.350 7.350 7.787 -0.437 18097 5932 1 9 . 1 1 173 173 GLY N N 462 105.400 105.400 105.771 -0.371 18097 5933 1 9 . 1 1 173 173 GLY C C 462 173.603 173.603 174.465 -0.862 18097 5934 1 9 . 1 1 173 173 GLY CA C 462 47.486 47.486 45.534 1.952 18097 5935 1 9 . 1 1 173 173 GLY H H 462 7.818 7.818 7.915 -0.097 18097 5936 1 9 . 1 1 174 174 PHE N N 463 120.249 120.249 118.831 1.418 18097 5937 1 9 . 1 1 174 174 PHE HA H 463 4.423 4.423 4.540 -0.117 18097 5938 1 9 . 1 1 174 174 PHE C C 463 176.502 176.502 176.445 0.057 18097 5939 1 9 . 1 1 174 174 PHE CA C 463 57.549 57.549 57.929 -0.380 18097 5940 1 9 . 1 1 174 174 PHE H H 463 7.626 7.626 8.079 -0.453 18097 5941 1 9 . 1 1 175 175 LEU N N 464 125.969 125.969 125.287 0.682 18097 5942 1 9 . 1 1 175 175 LEU C C 464 176.780 176.780 176.303 0.477 18097 5943 1 9 . 1 1 175 175 LEU CA C 464 56.068 56.068 56.141 -0.073 18097 5944 1 9 . 1 1 175 175 LEU H H 464 8.561 8.561 8.684 -0.123 18097 5945 1 9 . 1 1 176 176 ILE N N 465 126.876 126.876 126.630 0.246 18097 5946 1 9 . 1 1 176 176 ILE C C 465 175.528 175.528 175.255 0.273 18097 5947 1 9 . 1 1 176 176 ILE CA C 465 63.169 63.169 63.643 -0.474 18097 5948 1 9 . 1 1 176 176 ILE H H 465 9.330 9.330 8.964 0.366 18097 5949 1 9 . 1 1 177 177 TYR N N 466 115.047 115.047 117.724 -2.677 18097 5950 1 9 . 1 1 177 177 TYR HA H 466 4.068 4.068 4.633 -0.565 18097 5951 1 9 . 1 1 177 177 TYR C C 466 171.006 171.006 172.740 -1.734 18097 5952 1 9 . 1 1 177 177 TYR CA C 466 59.097 59.097 57.183 1.914 18097 5953 1 9 . 1 1 177 177 TYR H H 466 7.212 7.212 7.534 -0.322 18097 5954 1 9 . 1 1 178 178 LYS N N 467 127.911 127.911 124.137 3.774 18097 5955 1 9 . 1 1 178 178 LYS C C 467 175.273 175.273 174.381 0.892 18097 5956 1 9 . 1 1 178 178 LYS CA C 467 54.520 54.520 55.277 -0.757 18097 5957 1 9 . 1 1 178 178 LYS H H 467 6.811 6.811 7.072 -0.261 18097 5958 1 9 . 1 1 179 179 PHE N N 468 126.383 126.383 126.546 -0.163 18097 5959 1 9 . 1 1 179 179 PHE HA H 468 4.632 4.632 4.777 -0.145 18097 5960 1 9 . 1 1 179 179 PHE C C 468 175.336 175.336 174.714 0.622 18097 5961 1 9 . 1 1 179 179 PHE CA C 468 58.289 58.289 58.639 -0.350 18097 5962 1 9 . 1 1 179 179 PHE H H 468 9.651 9.651 9.453 0.198 18097 5963 1 9 . 1 1 180 180 SER N N 469 115.506 115.506 117.182 -1.676 18097 5964 1 9 . 1 1 180 180 SER HA H 469 4.837 4.837 4.834 0.003 18097 5965 1 9 . 1 1 180 180 SER C C 469 172.861 172.861 173.955 -1.094 18097 5966 1 9 . 1 1 180 180 SER CA C 469 56.707 56.707 57.648 -0.941 18097 5967 1 9 . 1 1 180 180 SER H H 469 8.485 8.485 8.549 -0.064 18097 5968 1 9 . 1 1 181 181 GLN N N 470 117.133 117.133 118.169 -1.036 18097 5969 1 9 . 1 1 181 181 GLN HA H 470 3.629 3.629 3.807 -0.178 18097 5970 1 9 . 1 1 181 181 GLN C C 470 176.015 176.015 174.691 1.324 18097 5971 1 9 . 1 1 181 181 GLN CA C 470 56.472 56.472 56.615 -0.144 18097 5972 1 9 . 1 1 181 181 GLN H H 470 9.298 9.298 8.552 0.746 18097 5973 1 9 . 1 1 182 182 CYS N N 471 116.032 116.032 118.243 -2.211 18097 5974 1 9 . 1 1 182 182 CYS C C 471 175.899 175.899 175.439 0.460 18097 5975 1 9 . 1 1 182 182 CYS CA C 471 60.039 60.039 59.030 1.009 18097 5976 1 9 . 1 1 182 182 CYS H H 471 7.876 7.876 7.581 0.295 18097 5977 1 9 . 1 1 183 183 SER N N 472 118.074 118.074 120.595 -2.521 18097 5978 1 9 . 1 1 183 183 SER HA H 472 4.194 4.194 4.423 -0.229 18097 5979 1 9 . 1 1 183 183 SER C C 472 174.392 174.392 173.763 0.629 18097 5980 1 9 . 1 1 183 183 SER CA C 472 56.337 56.337 58.849 -2.512 18097 5981 1 9 . 1 1 183 183 SER H H 472 8.561 8.561 8.976 -0.415 18097 5982 1 9 . 1 1 184 184 PHE N N 473 125.605 125.605 126.587 -0.982 18097 5983 1 9 . 1 1 184 184 PHE HA H 473 4.825 4.825 4.560 0.265 18097 5984 1 9 . 1 1 184 184 PHE C C 473 175.157 175.157 176.339 -1.182 18097 5985 1 9 . 1 1 184 184 PHE CA C 473 52.534 52.534 54.679 -2.145 18097 5986 1 9 . 1 1 184 184 PHE H H 473 7.275 7.275 8.140 -0.865 18097 5987 1 9 . 1 1 188 188 VAL N N 477 111.123 111.123 118.433 -7.310 18097 5988 1 9 . 1 1 188 188 VAL C C 477 173.279 173.279 173.922 -0.643 18097 5989 1 9 . 1 1 188 188 VAL CA C 477 58.626 58.626 59.437 -0.811 18097 5990 1 9 . 1 1 188 188 VAL H H 477 7.959 7.959 7.791 0.168 18097 5991 1 9 . 1 1 189 189 PHE N N 478 114.592 114.592 119.039 -4.447 18097 5992 1 9 . 1 1 189 189 PHE CA C 478 54.957 54.957 54.486 0.471 18097 5993 1 9 . 1 1 189 189 PHE H H 478 8.774 8.774 9.610 -0.836 18097 5994 1 9 . 1 1 191 191 TYR N N 480 121.836 121.836 126.472 -4.636 18097 5995 1 9 . 1 1 191 191 TYR HA H 480 5.142 5.142 5.126 0.016 18097 5996 1 9 . 1 1 191 191 TYR C C 480 174.693 174.693 174.454 0.239 18097 5997 1 9 . 1 1 191 191 TYR CA C 480 57.078 57.078 57.179 -0.101 18097 5998 1 9 . 1 1 191 191 TYR H H 480 8.356 8.356 8.350 0.006 18097 5999 1 9 . 1 1 192 192 LEU N N 481 129.065 129.065 127.431 1.634 18097 6000 1 9 . 1 1 192 192 LEU HA H 481 4.605 4.605 4.863 -0.258 18097 6001 1 9 . 1 1 192 192 LEU C C 481 174.137 174.137 174.542 -0.405 18097 6002 1 9 . 1 1 192 192 LEU CA C 481 55.563 55.563 54.163 1.400 18097 6003 1 9 . 1 1 192 192 LEU H H 481 8.261 8.261 7.914 0.347 18097 6004 1 9 . 1 1 193 193 ASN N N 482 114.217 114.217 119.299 -5.082 18097 6005 1 9 . 1 1 193 193 ASN CA C 482 49.505 49.505 50.598 -1.093 18097 6006 1 9 . 1 1 193 193 ASN H H 482 8.007 8.007 8.164 -0.157 18097 6007 1 9 . 1 1 198 198 THR N N 487 121.563 121.563 122.715 -1.152 18097 6008 1 9 . 1 1 198 198 THR HA H 487 4.044 4.044 4.182 -0.138 18097 6009 1 9 . 1 1 198 198 THR C C 487 174.206 174.206 174.379 -0.173 18097 6010 1 9 . 1 1 198 198 THR CA C 487 63.203 63.203 64.088 -0.885 18097 6011 1 9 . 1 1 198 198 THR H H 487 8.265 8.265 8.462 -0.197 18097 6012 1 9 . 1 1 199 199 VAL N N 488 129.507 129.507 126.627 2.880 18097 6013 1 9 . 1 1 199 199 VAL C C 488 174.832 174.832 174.119 0.713 18097 6014 1 9 . 1 1 199 199 VAL CA C 488 61.419 61.419 60.806 0.613 18097 6015 1 9 . 1 1 199 199 VAL H H 488 8.737 8.737 7.510 1.227 18097 6016 1 9 . 1 1 201 201 MET N N 490 116.897 116.897 123.172 -6.275 18097 6017 1 9 . 1 1 201 201 MET HA H 490 5.073 5.073 5.223 -0.150 18097 6018 1 9 . 1 1 201 201 MET C C 490 175.180 175.180 175.367 -0.187 18097 6019 1 9 . 1 1 201 201 MET CA C 490 53.712 53.712 54.454 -0.742 18097 6020 1 9 . 1 1 201 201 MET H H 490 8.545 8.545 8.651 -0.106 18097 6021 1 9 . 1 1 202 202 THR N N 491 117.791 117.791 119.639 -1.848 18097 6022 1 9 . 1 1 202 202 THR HA H 491 4.977 4.977 5.023 -0.046 18097 6023 1 9 . 1 1 202 202 THR C C 491 173.981 173.981 174.086 -0.105 18097 6024 1 9 . 1 1 202 202 THR CA C 491 62.058 62.058 61.656 0.402 18097 6025 1 9 . 1 1 202 202 THR H H 491 8.312 8.312 8.242 0.070 18097 6026 1 9 . 1 1 203 203 LEU N N 492 129.237 129.237 123.411 5.826 18097 6027 1 9 . 1 1 203 203 LEU HA H 492 4.756 4.756 5.195 -0.439 18097 6028 1 9 . 1 1 203 203 LEU C C 492 176.131 176.131 176.900 -0.769 18097 6029 1 9 . 1 1 203 203 LEU CA C 492 55.294 55.294 53.706 1.588 18097 6030 1 9 . 1 1 203 203 LEU H H 492 9.048 9.048 8.322 0.726 18097 6031 1 9 . 1 1 204 204 CYS N N 493 122.012 122.012 121.600 0.412 18097 6032 1 9 . 1 1 204 204 CYS HA H 493 4.577 4.577 4.047 0.530 18097 6033 1 9 . 1 1 204 204 CYS C C 493 174.531 174.531 174.807 -0.276 18097 6034 1 9 . 1 1 204 204 CYS CA C 493 58.188 58.188 61.791 -3.603 18097 6035 1 9 . 1 1 204 204 CYS H H 493 8.609 8.609 8.965 -0.356 18097 6036 1 9 . 1 1 205 205 SER N N 494 120.249 120.249 111.454 8.795 18097 6037 1 9 . 1 1 205 205 SER C C 494 171.632 171.632 171.672 -0.040 18097 6038 1 9 . 1 1 205 205 SER CA C 494 56.909 56.909 57.797 -0.888 18097 6039 1 9 . 1 1 205 205 SER H H 494 8.665 8.665 8.466 0.199 18097 6040 1 10 . 1 1 3 3 GLU N N 292 122.345 122.345 122.370 -0.025 18097 6041 1 10 . 1 1 3 3 GLU HA H 292 3.992 3.992 3.992 -0.000 18097 6042 1 10 . 1 1 3 3 GLU C C 292 178.218 178.218 177.754 0.464 18097 6043 1 10 . 1 1 3 3 GLU CA C 292 58.828 58.828 59.560 -0.732 18097 6044 1 10 . 1 1 3 3 GLU H H 292 8.831 8.831 8.556 0.275 18097 6045 1 10 . 1 1 4 4 LEU N N 293 121.001 121.001 118.238 2.763 18097 6046 1 10 . 1 1 4 4 LEU C C 293 177.175 177.175 177.609 -0.434 18097 6047 1 10 . 1 1 4 4 LEU CA C 293 57.044 57.044 57.155 -0.111 18097 6048 1 10 . 1 1 4 4 LEU H H 293 7.976 7.976 7.923 0.053 18097 6049 1 10 . 1 1 5 5 THR N N 294 113.069 113.069 114.365 -1.296 18097 6050 1 10 . 1 1 5 5 THR HA H 294 3.916 3.916 3.715 0.201 18097 6051 1 10 . 1 1 5 5 THR C C 294 176.200 176.200 175.378 0.822 18097 6052 1 10 . 1 1 5 5 THR CA C 294 66.164 66.164 66.527 -0.363 18097 6053 1 10 . 1 1 5 5 THR H H 294 7.535 7.535 7.470 0.065 18097 6054 1 10 . 1 1 6 6 ASP N N 295 119.926 119.926 119.982 -0.056 18097 6055 1 10 . 1 1 6 6 ASP HA H 295 4.085 4.085 4.353 -0.268 18097 6056 1 10 . 1 1 6 6 ASP C C 295 177.314 177.314 178.108 -0.794 18097 6057 1 10 . 1 1 6 6 ASP CA C 295 56.808 56.808 56.428 0.380 18097 6058 1 10 . 1 1 6 6 ASP H H 295 7.530 7.530 7.994 -0.464 18097 6059 1 10 . 1 1 7 7 ALA N N 296 121.726 121.726 122.356 -0.630 18097 6060 1 10 . 1 1 7 7 ALA HA H 296 4.109 4.109 3.445 0.664 18097 6061 1 10 . 1 1 7 7 ALA C C 296 178.659 178.659 179.114 -0.455 18097 6062 1 10 . 1 1 7 7 ALA CA C 296 54.655 54.655 53.857 0.798 18097 6063 1 10 . 1 1 7 7 ALA H H 296 7.227 7.227 6.990 0.237 18097 6064 1 10 . 1 1 8 8 ARG N N 297 112.468 112.468 116.474 -4.006 18097 6065 1 10 . 1 1 8 8 ARG C C 297 178.033 178.033 177.954 0.079 18097 6066 1 10 . 1 1 8 8 ARG CA C 297 58.424 58.424 57.879 0.545 18097 6067 1 10 . 1 1 8 8 ARG H H 297 7.370 7.370 7.325 0.045 18097 6068 1 10 . 1 1 9 9 ARG N N 298 118.926 118.926 118.557 0.369 18097 6069 1 10 . 1 1 9 9 ARG HA H 298 3.832 3.832 3.906 -0.074 18097 6070 1 10 . 1 1 9 9 ARG C C 298 176.827 176.827 176.932 -0.105 18097 6071 1 10 . 1 1 9 9 ARG CA C 298 58.289 58.289 58.181 0.108 18097 6072 1 10 . 1 1 9 9 ARG H H 298 7.059 7.059 7.102 -0.043 18097 6073 1 10 . 1 1 10 10 TYR N N 299 118.201 118.201 116.186 2.015 18097 6074 1 10 . 1 1 10 10 TYR HA H 299 4.853 4.853 4.739 0.114 18097 6075 1 10 . 1 1 10 10 TYR C C 299 174.832 174.832 174.361 0.471 18097 6076 1 10 . 1 1 10 10 TYR CA C 299 56.943 56.943 56.128 0.815 18097 6077 1 10 . 1 1 10 10 TYR H H 299 7.800 7.800 7.437 0.363 18097 6078 1 10 . 1 1 11 11 TRP N N 300 123.427 123.427 123.322 0.105 18097 6079 1 10 . 1 1 11 11 TRP HA H 300 4.577 4.577 5.325 -0.748 18097 6080 1 10 . 1 1 11 11 TRP C C 300 177.082 177.082 176.589 0.493 18097 6081 1 10 . 1 1 11 11 TRP CA C 300 58.558 58.558 58.406 0.152 18097 6082 1 10 . 1 1 11 11 TRP H H 300 7.122 7.122 7.678 -0.556 18097 6083 1 10 . 1 1 13 13 ASP N N 302 122.160 122.160 123.603 -1.443 18097 6084 1 10 . 1 1 13 13 ASP HA H 302 4.605 4.605 4.742 -0.137 18097 6085 1 10 . 1 1 13 13 ASP C C 302 174.786 174.786 175.808 -1.022 18097 6086 1 10 . 1 1 13 13 ASP CA C 302 53.005 53.005 53.998 -0.993 18097 6087 1 10 . 1 1 13 13 ASP H H 302 8.496 8.496 8.565 -0.069 18097 6088 1 10 . 1 1 14 14 VAL N N 303 126.934 126.934 126.499 0.435 18097 6089 1 10 . 1 1 14 14 VAL HA H 303 4.096 4.096 4.166 -0.070 18097 6090 1 10 . 1 1 14 14 VAL C C 303 174.670 174.670 175.480 -0.810 18097 6091 1 10 . 1 1 14 14 VAL CA C 303 62.429 62.429 61.128 1.301 18097 6092 1 10 . 1 1 14 14 VAL H H 303 7.877 7.877 8.095 -0.218 18097 6093 1 10 . 1 1 15 15 THR N N 304 114.829 114.829 118.633 -3.804 18097 6094 1 10 . 1 1 15 15 THR HA H 304 4.536 4.536 4.800 -0.264 18097 6095 1 10 . 1 1 15 15 THR C C 304 173.951 173.951 174.140 -0.189 18097 6096 1 10 . 1 1 15 15 THR CA C 304 58.592 58.592 59.888 -1.296 18097 6097 1 10 . 1 1 15 15 THR H H 304 8.321 8.321 8.264 0.057 18097 6098 1 10 . 1 1 16 16 LEU N N 305 121.392 121.392 124.974 -3.582 18097 6099 1 10 . 1 1 16 16 LEU HA H 305 4.322 4.322 4.494 -0.172 18097 6100 1 10 . 1 1 16 16 LEU C C 305 175.876 175.876 176.891 -1.015 18097 6101 1 10 . 1 1 16 16 LEU CA C 305 54.526 54.526 54.805 -0.279 18097 6102 1 10 . 1 1 16 16 LEU H H 305 8.967 8.967 8.512 0.455 18097 6103 1 10 . 1 1 17 17 ALA N N 306 124.039 124.039 125.935 -1.896 18097 6104 1 10 . 1 1 17 17 ALA HA H 306 4.385 4.385 4.742 -0.357 18097 6105 1 10 . 1 1 17 17 ALA C C 306 177.360 177.360 176.628 0.732 18097 6106 1 10 . 1 1 17 17 ALA CA C 306 50.515 50.515 50.691 -0.175 18097 6107 1 10 . 1 1 17 17 ALA H H 306 8.409 8.409 8.246 0.163 18097 6108 1 10 . 1 1 18 18 THR N N 307 114.041 114.041 115.461 -1.420 18097 6109 1 10 . 1 1 18 18 THR HA H 307 4.398 4.398 4.239 0.159 18097 6110 1 10 . 1 1 18 18 THR C C 307 174.206 174.206 174.186 0.020 18097 6111 1 10 . 1 1 18 18 THR CA C 307 61.722 61.722 62.062 -0.340 18097 6112 1 10 . 1 1 18 18 THR H H 307 8.146 8.146 8.358 -0.212 18097 6113 1 10 . 1 1 19 19 ASN N N 308 119.841 119.841 123.659 -3.818 18097 6114 1 10 . 1 1 19 19 ASN HA H 308 4.687 4.687 4.817 -0.130 18097 6115 1 10 . 1 1 19 19 ASN C C 308 174.577 174.577 175.180 -0.603 18097 6116 1 10 . 1 1 19 19 ASN CA C 308 52.871 52.871 51.970 0.901 18097 6117 1 10 . 1 1 19 19 ASN H H 308 8.470 8.470 8.430 0.040 18097 6118 1 10 . 1 1 38 38 PRO HA H 327 4.207 4.207 4.231 -0.024 18097 6119 1 10 . 1 1 38 38 PRO C C 327 176.641 176.641 177.878 -1.237 18097 6120 1 10 . 1 1 38 38 PRO CA C 327 63.443 63.443 63.122 0.321 18097 6121 1 10 . 1 1 38 38 PRO CB C 327 31.714 31.714 32.128 -0.414 18097 6122 1 10 . 1 1 39 39 GLN N N 328 118.424 118.424 118.165 0.259 18097 6123 1 10 . 1 1 39 39 GLN HA H 328 4.111 4.111 4.047 0.064 18097 6124 1 10 . 1 1 39 39 GLN C C 328 175.853 175.853 176.360 -0.507 18097 6125 1 10 . 1 1 39 39 GLN CA C 328 56.136 56.136 58.192 -2.056 18097 6126 1 10 . 1 1 39 39 GLN CB C 328 28.981 28.981 28.629 0.352 18097 6127 1 10 . 1 1 39 39 GLN H H 328 8.139 8.139 8.490 -0.351 18097 6128 1 10 . 1 1 40 40 ILE N N 329 119.966 119.966 111.438 8.528 18097 6129 1 10 . 1 1 40 40 ILE HA H 329 3.998 3.998 4.660 -0.662 18097 6130 1 10 . 1 1 40 40 ILE C C 329 175.690 175.690 174.733 0.957 18097 6131 1 10 . 1 1 40 40 ILE CA C 329 60.601 60.601 60.538 0.063 18097 6132 1 10 . 1 1 40 40 ILE CB C 329 38.274 38.274 37.510 0.764 18097 6133 1 10 . 1 1 40 40 ILE H H 329 7.688 7.688 7.721 -0.033 18097 6134 1 10 . 1 1 41 41 MET N N 330 123.189 123.189 117.791 5.398 18097 6135 1 10 . 1 1 41 41 MET HA H 330 4.286 4.286 4.125 0.161 18097 6136 1 10 . 1 1 41 41 MET C C 330 175.389 175.389 174.758 0.631 18097 6137 1 10 . 1 1 41 41 MET CA C 330 55.046 55.046 56.529 -1.483 18097 6138 1 10 . 1 1 41 41 MET CB C 330 32.499 32.499 30.937 1.562 18097 6139 1 10 . 1 1 41 41 MET H H 330 8.044 8.044 8.207 -0.163 18097 6140 1 10 . 1 1 42 42 TYR N N 331 121.297 121.297 114.025 7.272 18097 6141 1 10 . 1 1 42 42 TYR HA H 331 4.398 4.398 4.184 0.214 18097 6142 1 10 . 1 1 42 42 TYR C C 331 174.879 174.879 175.289 -0.410 18097 6143 1 10 . 1 1 42 42 TYR CA C 331 57.599 57.599 59.144 -1.545 18097 6144 1 10 . 1 1 42 42 TYR CB C 331 38.825 38.825 36.033 2.792 18097 6145 1 10 . 1 1 42 42 TYR H H 331 8.024 8.024 8.217 -0.193 18097 6146 1 10 . 1 1 43 43 GLN N N 332 122.431 122.431 118.210 4.221 18097 6147 1 10 . 1 1 43 43 GLN HA H 332 4.148 4.148 4.352 -0.204 18097 6148 1 10 . 1 1 43 43 GLN C C 332 174.345 174.345 176.188 -1.843 18097 6149 1 10 . 1 1 43 43 GLN CA C 332 54.714 54.714 55.846 -1.132 18097 6150 1 10 . 1 1 43 43 GLN CB C 332 29.741 29.741 30.731 -0.990 18097 6151 1 10 . 1 1 43 43 GLN H H 332 7.894 7.894 7.492 0.402 18097 6152 1 10 . 1 1 44 44 ALA N N 333 126.670 126.670 126.188 0.482 18097 6153 1 10 . 1 1 44 44 ALA HA H 333 4.367 4.367 4.088 0.279 18097 6154 1 10 . 1 1 44 44 ALA C C 333 175.459 175.459 176.459 -1.000 18097 6155 1 10 . 1 1 44 44 ALA CA C 333 50.358 50.358 52.415 -2.057 18097 6156 1 10 . 1 1 44 44 ALA CB C 333 17.603 17.603 18.533 -0.930 18097 6157 1 10 . 1 1 44 44 ALA H H 333 8.141 8.141 7.651 0.490 18097 6158 1 10 . 1 1 45 45 PRO HA H 334 4.273 4.273 4.325 -0.052 18097 6159 1 10 . 1 1 45 45 PRO CA C 334 63.318 63.318 62.882 0.436 18097 6160 1 10 . 1 1 45 45 PRO CB C 334 31.697 31.697 30.153 1.544 18097 6161 1 10 . 1 1 46 46 GLY N N 335 109.630 109.630 107.655 1.975 18097 6162 1 10 . 1 1 46 46 GLY C C 335 174.322 174.322 174.076 0.246 18097 6163 1 10 . 1 1 46 46 GLY CA C 335 45.255 45.255 45.810 -0.555 18097 6164 1 10 . 1 1 46 46 GLY H H 335 8.478 8.478 8.412 0.066 18097 6165 1 10 . 1 1 47 47 THR N N 336 113.015 113.015 116.457 -3.442 18097 6166 1 10 . 1 1 47 47 THR HA H 336 4.210 4.210 4.586 -0.376 18097 6167 1 10 . 1 1 47 47 THR C C 336 174.067 174.067 174.261 -0.194 18097 6168 1 10 . 1 1 47 47 THR CA C 336 61.547 61.547 58.746 2.801 18097 6169 1 10 . 1 1 47 47 THR CB C 336 69.516 69.516 68.341 1.175 18097 6170 1 10 . 1 1 47 47 THR H H 336 7.734 7.734 7.601 0.133 18097 6171 1 10 . 1 1 48 48 LEU N N 337 123.635 123.635 121.614 2.021 18097 6172 1 10 . 1 1 48 48 LEU HA H 337 4.152 4.152 3.259 0.893 18097 6173 1 10 . 1 1 48 48 LEU C C 337 176.618 176.618 176.581 0.037 18097 6174 1 10 . 1 1 48 48 LEU CA C 337 55.025 55.025 57.704 -2.679 18097 6175 1 10 . 1 1 48 48 LEU CB C 337 42.098 42.098 39.038 3.060 18097 6176 1 10 . 1 1 48 48 LEU H H 337 8.087 8.087 8.320 -0.233 18097 6177 1 10 . 1 1 49 49 PHE N N 338 120.255 120.255 111.880 8.375 18097 6178 1 10 . 1 1 49 49 PHE HA H 338 4.496 4.496 4.775 -0.279 18097 6179 1 10 . 1 1 49 49 PHE C C 338 175.227 175.227 176.212 -0.985 18097 6180 1 10 . 1 1 49 49 PHE CA C 338 57.234 57.234 58.403 -1.169 18097 6181 1 10 . 1 1 49 49 PHE CB C 338 39.290 39.290 38.838 0.452 18097 6182 1 10 . 1 1 49 49 PHE H H 338 8.017 8.017 7.886 0.131 18097 6183 1 10 . 1 1 50 50 THR N N 339 115.141 115.141 114.252 0.889 18097 6184 1 10 . 1 1 50 50 THR HA H 339 4.137 4.137 4.233 -0.096 18097 6185 1 10 . 1 1 50 50 THR C C 339 173.255 173.255 173.900 -0.645 18097 6186 1 10 . 1 1 50 50 THR CA C 339 61.244 61.244 64.784 -3.540 18097 6187 1 10 . 1 1 50 50 THR CB C 339 69.643 69.643 67.841 1.802 18097 6188 1 10 . 1 1 50 50 THR H H 339 7.741 7.741 8.780 -1.039 18097 6189 1 10 . 1 1 51 51 PHE N N 340 122.603 122.603 115.330 7.273 18097 6190 1 10 . 1 1 51 51 PHE HA H 340 4.571 4.571 5.003 -0.432 18097 6191 1 10 . 1 1 51 51 PHE C C 340 173.858 173.858 172.883 0.975 18097 6192 1 10 . 1 1 51 51 PHE CA C 340 56.874 56.874 55.734 1.140 18097 6193 1 10 . 1 1 51 51 PHE CB C 340 39.250 39.250 38.305 0.945 18097 6194 1 10 . 1 1 51 51 PHE H H 340 7.996 7.996 7.403 0.593 18097 6195 1 10 . 1 1 52 52 PRO HA H 341 4.278 4.278 4.209 0.069 18097 6196 1 10 . 1 1 52 52 PRO CA C 341 63.297 63.297 63.350 -0.053 18097 6197 1 10 . 1 1 52 52 PRO CB C 341 31.190 31.190 32.376 -1.186 18097 6198 1 10 . 1 1 53 53 SER N N 342 114.918 114.918 117.227 -2.309 18097 6199 1 10 . 1 1 53 53 SER HA H 342 4.334 4.334 4.494 -0.160 18097 6200 1 10 . 1 1 53 53 SER C C 342 174.508 174.508 175.896 -1.388 18097 6201 1 10 . 1 1 53 53 SER CA C 342 58.019 58.019 60.498 -2.479 18097 6202 1 10 . 1 1 53 53 SER CB C 342 63.587 63.587 63.503 0.084 18097 6203 1 10 . 1 1 53 53 SER H H 342 8.119 8.119 8.240 -0.121 18097 6204 1 10 . 1 1 54 54 LEU N N 343 123.426 123.426 116.112 7.314 18097 6205 1 10 . 1 1 54 54 LEU HA H 343 4.307 4.307 4.159 0.148 18097 6206 1 10 . 1 1 54 54 LEU C C 343 177.314 177.314 177.347 -0.033 18097 6207 1 10 . 1 1 54 54 LEU CA C 343 55.224 55.224 56.627 -1.403 18097 6208 1 10 . 1 1 54 54 LEU CB C 343 41.934 41.934 41.252 0.682 18097 6209 1 10 . 1 1 54 54 LEU H H 343 8.180 8.180 7.752 0.428 18097 6210 1 10 . 1 1 55 55 THR N N 344 112.921 112.921 110.512 2.409 18097 6211 1 10 . 1 1 55 55 THR HA H 344 4.144 4.144 4.276 -0.132 18097 6212 1 10 . 1 1 55 55 THR C C 344 173.928 173.928 173.743 0.185 18097 6213 1 10 . 1 1 55 55 THR CA C 344 61.565 61.565 61.853 -0.288 18097 6214 1 10 . 1 1 55 55 THR CB C 344 69.396 69.396 68.489 0.907 18097 6215 1 10 . 1 1 55 55 THR H H 344 7.911 7.911 7.588 0.323 18097 6216 1 10 . 1 1 56 56 ASN N N 345 119.978 119.978 118.285 1.693 18097 6217 1 10 . 1 1 56 56 ASN HA H 345 4.482 4.482 4.573 -0.091 18097 6218 1 10 . 1 1 56 56 ASN C C 345 174.137 174.137 175.228 -1.091 18097 6219 1 10 . 1 1 56 56 ASN CA C 345 52.938 52.938 53.895 -0.957 18097 6220 1 10 . 1 1 56 56 ASN CB C 345 38.110 38.110 38.802 -0.692 18097 6221 1 10 . 1 1 56 56 ASN H H 345 8.097 8.097 7.958 0.139 18097 6222 1 10 . 1 1 57 57 PHE N N 346 120.030 120.030 118.390 1.640 18097 6223 1 10 . 1 1 57 57 PHE HA H 346 4.482 4.482 4.409 0.073 18097 6224 1 10 . 1 1 57 57 PHE C C 346 174.693 174.693 173.817 0.876 18097 6225 1 10 . 1 1 57 57 PHE CA C 346 57.381 57.381 59.867 -2.486 18097 6226 1 10 . 1 1 57 57 PHE CB C 346 39.313 39.313 38.432 0.881 18097 6227 1 10 . 1 1 57 57 PHE H H 346 7.919 7.919 9.138 -1.219 18097 6228 1 10 . 1 1 58 58 ASN N N 347 125.759 125.759 121.912 3.847 18097 6229 1 10 . 1 1 58 58 ASN CA C 347 57.145 57.145 52.718 4.427 18097 6230 1 10 . 1 1 58 58 ASN H H 347 7.656 7.656 7.939 -0.283 18097 6231 1 10 . 1 1 64 64 LEU N N 353 120.532 120.532 120.613 -0.081 18097 6232 1 10 . 1 1 64 64 LEU HA H 353 4.398 4.398 5.364 -0.966 18097 6233 1 10 . 1 1 64 64 LEU C C 353 178.380 178.380 177.255 1.125 18097 6234 1 10 . 1 1 64 64 LEU CA C 353 51.933 51.933 52.278 -0.345 18097 6235 1 10 . 1 1 64 64 LEU H H 353 8.518 8.518 8.732 -0.214 18097 6236 1 10 . 1 1 65 65 GLY N N 354 102.514 102.514 106.439 -3.925 18097 6237 1 10 . 1 1 65 65 GLY C C 354 172.884 172.884 174.397 -1.513 18097 6238 1 10 . 1 1 65 65 GLY CA C 354 44.491 44.491 44.699 -0.208 18097 6239 1 10 . 1 1 65 65 GLY H H 354 8.051 8.051 8.078 -0.027 18097 6240 1 10 . 1 1 66 66 SER N N 355 113.869 113.869 112.795 1.074 18097 6241 1 10 . 1 1 66 66 SER HA H 355 4.015 4.015 4.271 -0.256 18097 6242 1 10 . 1 1 66 66 SER C C 355 174.276 174.276 175.063 -0.787 18097 6243 1 10 . 1 1 66 66 SER CA C 355 59.770 59.770 59.696 0.074 18097 6244 1 10 . 1 1 66 66 SER H H 355 8.724 8.724 8.502 0.222 18097 6245 1 10 . 1 1 67 67 GLN N N 356 121.985 121.985 120.415 1.570 18097 6246 1 10 . 1 1 67 67 GLN HA H 356 4.474 4.474 4.647 -0.173 18097 6247 1 10 . 1 1 67 67 GLN C C 356 173.905 173.905 174.589 -0.684 18097 6248 1 10 . 1 1 67 67 GLN CA C 356 54.655 54.655 54.529 0.126 18097 6249 1 10 . 1 1 67 67 GLN H H 356 7.995 7.995 8.002 -0.007 18097 6250 1 10 . 1 1 68 68 SER N N 357 118.695 118.695 117.065 1.630 18097 6251 1 10 . 1 1 68 68 SER HA H 357 4.852 4.852 3.707 1.145 18097 6252 1 10 . 1 1 68 68 SER C C 357 173.835 173.835 173.843 -0.008 18097 6253 1 10 . 1 1 68 68 SER CA C 357 56.472 56.472 56.742 -0.270 18097 6254 1 10 . 1 1 68 68 SER H H 357 8.145 8.145 8.478 -0.333 18097 6255 1 10 . 1 1 69 69 ILE N N 358 123.370 123.370 122.099 1.271 18097 6256 1 10 . 1 1 69 69 ILE C C 358 175.018 175.018 174.591 0.427 18097 6257 1 10 . 1 1 69 69 ILE CA C 358 60.780 60.780 60.682 0.098 18097 6258 1 10 . 1 1 69 69 ILE H H 358 8.813 8.813 8.124 0.689 18097 6259 1 10 . 1 1 70 70 THR N N 359 113.324 113.324 116.477 -3.153 18097 6260 1 10 . 1 1 70 70 THR HA H 359 3.967 3.967 3.447 0.520 18097 6261 1 10 . 1 1 70 70 THR C C 359 172.026 172.026 173.028 -1.002 18097 6262 1 10 . 1 1 70 70 THR CA C 359 59.366 59.366 60.032 -0.666 18097 6263 1 10 . 1 1 70 70 THR H H 359 8.250 8.250 8.417 -0.167 18097 6264 1 10 . 1 1 71 71 SER N N 360 111.494 111.494 113.780 -2.286 18097 6265 1 10 . 1 1 71 71 SER HA H 360 4.085 4.085 4.453 -0.368 18097 6266 1 10 . 1 1 71 71 SER C C 360 173.835 173.835 173.617 0.218 18097 6267 1 10 . 1 1 71 71 SER CA C 360 57.818 57.818 58.336 -0.518 18097 6268 1 10 . 1 1 71 71 SER H H 360 6.964 6.964 7.043 -0.079 18097 6269 1 10 . 1 1 72 72 GLY N N 361 112.909 112.909 108.277 4.632 18097 6270 1 10 . 1 1 72 72 GLY C C 361 171.400 171.400 172.553 -1.153 18097 6271 1 10 . 1 1 72 72 GLY CA C 361 45.265 45.265 44.905 0.360 18097 6272 1 10 . 1 1 72 72 GLY H H 361 10.408 10.408 8.573 1.835 18097 6273 1 10 . 1 1 73 73 LYS N N 362 118.005 118.005 120.387 -2.382 18097 6274 1 10 . 1 1 73 73 LYS C C 362 175.366 175.366 175.562 -0.196 18097 6275 1 10 . 1 1 73 73 LYS CA C 362 54.621 54.621 55.289 -0.668 18097 6276 1 10 . 1 1 73 73 LYS H H 362 7.310 7.310 8.052 -0.742 18097 6277 1 10 . 1 1 74 74 HIS N N 363 118.405 118.405 119.361 -0.956 18097 6278 1 10 . 1 1 74 74 HIS HA H 363 4.880 4.880 5.384 -0.504 18097 6279 1 10 . 1 1 74 74 HIS C C 363 172.467 172.467 173.458 -0.991 18097 6280 1 10 . 1 1 74 74 HIS CA C 363 56.371 56.371 55.038 1.333 18097 6281 1 10 . 1 1 74 74 HIS H H 363 8.399 8.399 8.686 -0.287 18097 6282 1 10 . 1 1 75 75 TYR N N 364 125.182 125.182 124.075 1.107 18097 6283 1 10 . 1 1 75 75 TYR C C 364 172.852 172.852 172.975 -0.123 18097 6284 1 10 . 1 1 75 75 TYR CA C 364 55.361 55.361 56.274 -0.913 18097 6285 1 10 . 1 1 75 75 TYR H H 364 8.153 8.153 8.790 -0.637 18097 6286 1 10 . 1 1 76 76 TRP N N 365 123.210 123.210 124.039 -0.829 18097 6287 1 10 . 1 1 76 76 TRP C C 365 171.510 171.510 172.882 -1.372 18097 6288 1 10 . 1 1 76 76 TRP CA C 365 57.549 57.549 55.713 1.836 18097 6289 1 10 . 1 1 76 76 TRP H H 365 7.621 7.621 7.582 0.039 18097 6290 1 10 . 1 1 78 78 VAL N N 367 122.416 122.416 121.728 0.688 18097 6291 1 10 . 1 1 78 78 VAL HA H 367 4.756 4.756 4.745 0.011 18097 6292 1 10 . 1 1 78 78 VAL C C 367 174.461 174.461 174.006 0.455 18097 6293 1 10 . 1 1 78 78 VAL CA C 367 60.208 60.208 60.895 -0.687 18097 6294 1 10 . 1 1 78 78 VAL H H 367 8.910 8.910 8.913 -0.003 18097 6295 1 10 . 1 1 79 79 ASP N N 368 128.257 128.257 127.977 0.280 18097 6296 1 10 . 1 1 79 79 ASP C C 368 175.343 175.343 175.467 -0.124 18097 6297 1 10 . 1 1 79 79 ASP CA C 368 53.914 53.914 53.210 0.704 18097 6298 1 10 . 1 1 79 79 ASP H H 368 9.795 9.795 9.116 0.679 18097 6299 1 10 . 1 1 80 80 VAL N N 369 118.519 118.519 121.528 -3.009 18097 6300 1 10 . 1 1 80 80 VAL C C 369 176.131 176.131 175.141 0.990 18097 6301 1 10 . 1 1 80 80 VAL CA C 369 59.027 59.027 60.458 -1.431 18097 6302 1 10 . 1 1 80 80 VAL H H 369 8.394 8.394 7.782 0.612 18097 6303 1 10 . 1 1 81 81 SER N N 370 123.584 123.584 120.047 3.537 18097 6304 1 10 . 1 1 81 81 SER C C 370 174.829 174.829 175.046 -0.217 18097 6305 1 10 . 1 1 81 81 SER CA C 370 61.285 61.285 59.725 1.560 18097 6306 1 10 . 1 1 81 81 SER H H 370 8.754 8.754 8.273 0.481 18097 6307 1 10 . 1 1 82 82 LYS N N 371 115.025 115.025 121.089 -6.064 18097 6308 1 10 . 1 1 82 82 LYS C C 371 175.922 175.922 176.230 -0.308 18097 6309 1 10 . 1 1 82 82 LYS CA C 371 58.222 58.222 57.976 0.246 18097 6310 1 10 . 1 1 82 82 LYS H H 371 8.789 8.789 8.883 -0.094 18097 6311 1 10 . 1 1 83 83 LYS N N 372 117.904 117.904 119.865 -1.961 18097 6312 1 10 . 1 1 83 83 LYS C C 372 177.824 177.824 177.331 0.493 18097 6313 1 10 . 1 1 83 83 LYS CA C 372 57.784 57.784 56.209 1.575 18097 6314 1 10 . 1 1 83 83 LYS H H 372 7.825 7.825 7.548 0.277 18097 6315 1 10 . 1 1 84 84 SER N N 373 122.569 122.569 116.989 5.580 18097 6316 1 10 . 1 1 84 84 SER HA H 373 4.348 4.348 4.469 -0.121 18097 6317 1 10 . 1 1 84 84 SER C C 373 172.270 172.270 173.011 -0.741 18097 6318 1 10 . 1 1 84 84 SER CA C 373 58.996 58.996 57.721 1.275 18097 6319 1 10 . 1 1 84 84 SER H H 373 9.839 9.839 8.632 1.207 18097 6320 1 10 . 1 1 85 85 ALA N N 374 120.821 120.821 120.256 0.565 18097 6321 1 10 . 1 1 85 85 ALA C C 374 174.253 174.253 174.773 -0.520 18097 6322 1 10 . 1 1 85 85 ALA CA C 374 51.020 51.020 51.798 -0.778 18097 6323 1 10 . 1 1 85 85 ALA H H 374 7.130 7.130 7.353 -0.223 18097 6324 1 10 . 1 1 86 86 TRP N N 375 109.378 109.378 116.068 -6.690 18097 6325 1 10 . 1 1 86 86 TRP C C 375 176.096 176.096 173.251 2.845 18097 6326 1 10 . 1 1 86 86 TRP CA C 375 56.909 56.909 56.515 0.394 18097 6327 1 10 . 1 1 86 86 TRP H H 375 7.876 7.876 7.699 0.177 18097 6328 1 10 . 1 1 87 87 ILE N N 376 118.409 118.409 121.651 -3.242 18097 6329 1 10 . 1 1 87 87 ILE C C 376 175.405 175.405 174.824 0.581 18097 6330 1 10 . 1 1 87 87 ILE CA C 376 60.679 60.679 59.879 0.800 18097 6331 1 10 . 1 1 87 87 ILE H H 376 9.270 9.270 9.158 0.112 18097 6332 1 10 . 1 1 88 88 LEU N N 377 122.952 122.952 121.941 1.011 18097 6333 1 10 . 1 1 88 88 LEU C C 377 174.967 174.967 175.960 -0.993 18097 6334 1 10 . 1 1 88 88 LEU CA C 377 54.520 54.520 53.212 1.308 18097 6335 1 10 . 1 1 88 88 LEU H H 377 9.422 9.422 8.653 0.769 18097 6336 1 10 . 1 1 89 89 GLY N N 378 103.446 103.446 107.844 -4.398 18097 6337 1 10 . 1 1 89 89 GLY C C 378 171.976 171.976 172.915 -0.939 18097 6338 1 10 . 1 1 89 89 GLY CA C 378 47.251 47.251 46.675 0.576 18097 6339 1 10 . 1 1 89 89 GLY H H 378 8.366 8.366 8.728 -0.362 18097 6340 1 10 . 1 1 90 90 VAL N N 379 130.348 130.348 120.817 9.531 18097 6341 1 10 . 1 1 90 90 VAL HA H 379 4.164 4.164 5.245 -1.081 18097 6342 1 10 . 1 1 90 90 VAL C C 379 172.847 172.847 174.030 -1.183 18097 6343 1 10 . 1 1 90 90 VAL CA C 379 60.477 60.477 61.255 -0.778 18097 6344 1 10 . 1 1 90 90 VAL H H 379 9.224 9.224 8.532 0.692 18097 6345 1 10 . 1 1 91 91 CYS N N 380 122.658 122.658 124.006 -1.348 18097 6346 1 10 . 1 1 91 91 CYS C C 380 173.630 173.630 173.605 0.025 18097 6347 1 10 . 1 1 91 91 CYS CA C 380 55.429 55.429 55.878 -0.449 18097 6348 1 10 . 1 1 91 91 CYS H H 380 9.398 9.398 9.353 0.045 18097 6349 1 10 . 1 1 92 92 ALA N N 381 127.998 127.998 125.737 2.261 18097 6350 1 10 . 1 1 92 92 ALA HA H 381 5.049 5.049 5.063 -0.014 18097 6351 1 10 . 1 1 92 92 ALA C C 381 176.479 176.479 176.230 0.249 18097 6352 1 10 . 1 1 92 92 ALA CA C 381 52.400 52.400 51.233 1.167 18097 6353 1 10 . 1 1 92 92 ALA H H 381 9.478 9.478 7.975 1.503 18097 6354 1 10 . 1 1 93 93 GLY N N 382 108.533 108.533 105.565 2.968 18097 6355 1 10 . 1 1 93 93 GLY C C 382 173.580 173.580 173.023 0.557 18097 6356 1 10 . 1 1 93 93 GLY CA C 382 43.212 43.212 44.173 -0.961 18097 6357 1 10 . 1 1 93 93 GLY H H 382 8.194 8.194 7.192 1.002 18097 6358 1 10 . 1 1 94 94 PHE N N 383 116.476 116.476 118.421 -1.945 18097 6359 1 10 . 1 1 94 94 PHE HA H 383 4.536 4.536 4.953 -0.417 18097 6360 1 10 . 1 1 94 94 PHE C C 383 178.079 178.079 176.843 1.236 18097 6361 1 10 . 1 1 94 94 PHE CA C 383 56.627 56.627 56.399 0.228 18097 6362 1 10 . 1 1 94 94 PHE H H 383 8.290 8.290 8.245 0.045 18097 6363 1 10 . 1 1 105 105 ASN N N 394 112.033 112.033 115.698 -3.665 18097 6364 1 10 . 1 1 105 105 ASN HA H 394 4.715 4.715 4.899 -0.184 18097 6365 1 10 . 1 1 105 105 ASN C C 394 173.835 173.835 173.909 -0.074 18097 6366 1 10 . 1 1 105 105 ASN CA C 394 51.929 51.929 51.914 0.015 18097 6367 1 10 . 1 1 105 105 ASN H H 394 6.912 6.912 7.595 -0.683 18097 6368 1 10 . 1 1 106 106 GLU N N 395 117.585 117.585 115.641 1.944 18097 6369 1 10 . 1 1 106 106 GLU C C 395 175.574 175.574 175.226 0.348 18097 6370 1 10 . 1 1 106 106 GLU CA C 395 56.808 56.808 57.102 -0.294 18097 6371 1 10 . 1 1 106 106 GLU H H 395 7.354 7.354 7.595 -0.241 18097 6372 1 10 . 1 1 107 107 ASN N N 396 118.664 118.664 118.186 0.478 18097 6373 1 10 . 1 1 107 107 ASN HA H 396 4.536 4.536 4.667 -0.131 18097 6374 1 10 . 1 1 107 107 ASN C C 396 173.441 173.441 173.684 -0.243 18097 6375 1 10 . 1 1 107 107 ASN CA C 396 50.448 50.448 51.546 -1.098 18097 6376 1 10 . 1 1 107 107 ASN H H 396 8.082 8.082 7.532 0.550 18097 6377 1 10 . 1 1 108 108 TYR N N 397 117.301 117.301 120.809 -3.508 18097 6378 1 10 . 1 1 108 108 TYR HA H 397 4.605 4.605 3.902 0.703 18097 6379 1 10 . 1 1 108 108 TYR C C 397 173.186 173.186 174.723 -1.537 18097 6380 1 10 . 1 1 108 108 TYR CA C 397 55.530 55.530 58.277 -2.747 18097 6381 1 10 . 1 1 108 108 TYR H H 397 6.101 6.101 7.179 -1.078 18097 6382 1 10 . 1 1 109 109 GLN N N 398 114.934 114.934 120.912 -5.978 18097 6383 1 10 . 1 1 109 109 GLN C C 398 175.064 175.064 174.071 0.993 18097 6384 1 10 . 1 1 109 109 GLN CA C 398 53.241 53.241 52.768 0.473 18097 6385 1 10 . 1 1 109 109 GLN H H 398 6.115 6.115 8.373 -2.258 18097 6386 1 10 . 1 1 111 111 LYS N N 400 120.723 120.723 115.161 5.562 18097 6387 1 10 . 1 1 111 111 LYS HA H 400 4.068 4.068 4.036 0.032 18097 6388 1 10 . 1 1 111 111 LYS C C 400 177.244 177.244 177.267 -0.023 18097 6389 1 10 . 1 1 111 111 LYS CA C 400 58.289 58.289 58.126 0.163 18097 6390 1 10 . 1 1 111 111 LYS H H 400 10.775 10.775 7.987 2.788 18097 6391 1 10 . 1 1 112 112 TYR N N 401 120.182 120.182 117.197 2.985 18097 6392 1 10 . 1 1 112 112 TYR HA H 401 3.612 3.612 4.546 -0.934 18097 6393 1 10 . 1 1 112 112 TYR C C 401 175.853 175.853 175.017 0.836 18097 6394 1 10 . 1 1 112 112 TYR CA C 401 53.847 53.847 55.709 -1.862 18097 6395 1 10 . 1 1 112 112 TYR H H 401 7.647 7.647 7.437 0.210 18097 6396 1 10 . 1 1 113 113 GLY N N 402 107.764 107.764 106.508 1.256 18097 6397 1 10 . 1 1 113 113 GLY C C 402 171.679 171.679 172.395 -0.716 18097 6398 1 10 . 1 1 113 113 GLY CA C 402 45.972 45.972 44.672 1.300 18097 6399 1 10 . 1 1 113 113 GLY H H 402 8.057 8.057 7.091 0.966 18097 6400 1 10 . 1 1 114 114 TYR N N 403 115.659 115.659 118.464 -2.805 18097 6401 1 10 . 1 1 114 114 TYR C C 403 173.013 173.013 174.836 -1.823 18097 6402 1 10 . 1 1 114 114 TYR CA C 403 57.515 57.515 56.687 0.828 18097 6403 1 10 . 1 1 114 114 TYR H H 403 6.585 6.585 7.047 -0.462 18097 6404 1 10 . 1 1 115 115 TRP N N 404 125.437 125.437 127.096 -1.659 18097 6405 1 10 . 1 1 115 115 TRP C C 404 175.405 175.405 174.544 0.861 18097 6406 1 10 . 1 1 115 115 TRP CA C 404 57.650 57.650 55.755 1.895 18097 6407 1 10 . 1 1 115 115 TRP H H 404 8.420 8.420 9.088 -0.668 18097 6408 1 10 . 1 1 116 116 VAL N N 405 116.317 116.317 117.630 -1.313 18097 6409 1 10 . 1 1 116 116 VAL C C 405 174.368 174.368 174.111 0.257 18097 6410 1 10 . 1 1 116 116 VAL CA C 405 58.525 58.525 58.829 -0.304 18097 6411 1 10 . 1 1 116 116 VAL H H 405 9.825 9.825 7.814 2.010 18097 6412 1 10 . 1 1 117 117 ILE N N 406 110.464 110.464 114.377 -3.913 18097 6413 1 10 . 1 1 117 117 ILE C C 406 174.879 174.879 174.633 0.246 18097 6414 1 10 . 1 1 117 117 ILE CA C 406 58.929 58.929 58.704 0.225 18097 6415 1 10 . 1 1 117 117 ILE H H 406 8.268 8.268 8.511 -0.243 18097 6416 1 10 . 1 1 118 118 GLY N N 407 105.424 105.424 108.419 -2.995 18097 6417 1 10 . 1 1 118 118 GLY C C 407 169.418 169.418 170.967 -1.549 18097 6418 1 10 . 1 1 118 118 GLY CA C 407 45.770 45.770 43.712 2.058 18097 6419 1 10 . 1 1 118 118 GLY H H 407 9.115 9.115 8.905 0.210 18097 6420 1 10 . 1 1 119 119 LEU N N 408 118.628 118.628 119.909 -1.281 18097 6421 1 10 . 1 1 119 119 LEU C C 408 176.224 176.224 173.934 2.290 18097 6422 1 10 . 1 1 119 119 LEU CA C 408 52.265 52.265 52.439 -0.174 18097 6423 1 10 . 1 1 119 119 LEU H H 408 7.892 7.892 7.412 0.480 18097 6424 1 10 . 1 1 120 120 GLN N N 409 123.541 123.541 124.147 -0.606 18097 6425 1 10 . 1 1 120 120 GLN HA H 409 4.233 4.233 4.721 -0.488 18097 6426 1 10 . 1 1 120 120 GLN C C 409 173.000 173.000 175.165 -2.165 18097 6427 1 10 . 1 1 120 120 GLN CA C 409 54.284 54.284 54.604 -0.320 18097 6428 1 10 . 1 1 120 120 GLN H H 409 8.375 8.375 8.446 -0.071 18097 6429 1 10 . 1 1 121 121 GLU N N 410 117.179 117.179 120.593 -3.414 18097 6430 1 10 . 1 1 121 121 GLU C C 410 176.800 176.800 176.339 0.461 18097 6431 1 10 . 1 1 121 121 GLU CA C 410 56.809 56.809 57.175 -0.367 18097 6432 1 10 . 1 1 121 121 GLU H H 410 8.864 8.864 9.154 -0.290 18097 6433 1 10 . 1 1 125 125 TYR N N 414 128.783 128.783 123.475 5.308 18097 6434 1 10 . 1 1 125 125 TYR HA H 414 5.192 5.192 5.336 -0.144 18097 6435 1 10 . 1 1 125 125 TYR C C 414 176.827 176.827 176.310 0.517 18097 6436 1 10 . 1 1 125 125 TYR CA C 414 57.212 57.212 57.847 -0.635 18097 6437 1 10 . 1 1 125 125 TYR H H 414 9.145 9.145 8.478 0.667 18097 6438 1 10 . 1 1 126 126 SER N N 415 117.388 117.388 114.515 2.873 18097 6439 1 10 . 1 1 126 126 SER HA H 415 5.049 5.049 5.080 -0.031 18097 6440 1 10 . 1 1 126 126 SER C C 415 170.913 170.913 172.096 -1.183 18097 6441 1 10 . 1 1 126 126 SER CA C 415 57.482 57.482 58.200 -0.718 18097 6442 1 10 . 1 1 126 126 SER H H 415 9.192 9.192 9.115 0.077 18097 6443 1 10 . 1 1 127 127 VAL N N 416 119.557 119.557 121.526 -1.969 18097 6444 1 10 . 1 1 127 127 VAL C C 416 172.653 172.653 173.868 -1.215 18097 6445 1 10 . 1 1 127 127 VAL CA C 416 59.703 59.703 59.749 -0.046 18097 6446 1 10 . 1 1 127 127 VAL H H 416 8.761 8.761 8.750 0.011 18097 6447 1 10 . 1 1 128 128 PHE N N 417 127.341 127.341 129.407 -2.066 18097 6448 1 10 . 1 1 128 128 PHE HA H 417 4.267 4.267 4.639 -0.372 18097 6449 1 10 . 1 1 128 128 PHE C C 417 174.925 174.925 174.820 0.105 18097 6450 1 10 . 1 1 128 128 PHE CA C 417 58.458 58.458 59.311 -0.853 18097 6451 1 10 . 1 1 128 128 PHE H H 417 7.150 7.150 8.417 -1.267 18097 6452 1 10 . 1 1 129 129 GLN N N 418 122.834 122.834 121.135 1.699 18097 6453 1 10 . 1 1 129 129 GLN HA H 418 4.125 4.125 4.755 -0.630 18097 6454 1 10 . 1 1 129 129 GLN C C 418 176.038 176.038 175.059 0.979 18097 6455 1 10 . 1 1 129 129 GLN CA C 418 53.679 53.679 53.928 -0.249 18097 6456 1 10 . 1 1 129 129 GLN H H 418 8.693 8.693 7.720 0.973 18097 6457 1 10 . 1 1 130 130 ASP N N 419 119.994 119.994 120.369 -0.375 18097 6458 1 10 . 1 1 130 130 ASP HA H 419 4.964 4.964 4.694 0.270 18097 6459 1 10 . 1 1 130 130 ASP C C 419 178.218 178.218 176.702 1.516 18097 6460 1 10 . 1 1 130 130 ASP CA C 419 54.991 54.991 55.428 -0.437 18097 6461 1 10 . 1 1 130 130 ASP H H 419 8.425 8.425 8.503 -0.078 18097 6462 1 10 . 1 1 131 131 GLY N N 420 107.499 107.499 109.121 -1.622 18097 6463 1 10 . 1 1 131 131 GLY C C 420 174.415 174.415 173.302 1.113 18097 6464 1 10 . 1 1 131 131 GLY CA C 420 44.735 44.735 43.828 0.907 18097 6465 1 10 . 1 1 131 131 GLY H H 420 8.112 8.112 9.006 -0.894 18097 6466 1 10 . 1 1 132 132 SER N N 421 115.128 115.128 114.039 1.089 18097 6467 1 10 . 1 1 132 132 SER C C 421 176.177 176.177 176.647 -0.470 18097 6468 1 10 . 1 1 132 132 SER CA C 421 57.515 57.515 57.398 0.117 18097 6469 1 10 . 1 1 132 132 SER H H 421 8.016 8.016 8.401 -0.385 18097 6470 1 10 . 1 1 137 137 PHE N N 426 115.968 115.968 115.760 0.208 18097 6471 1 10 . 1 1 137 137 PHE HA H 426 4.525 4.525 4.603 -0.078 18097 6472 1 10 . 1 1 137 137 PHE C C 426 173.511 173.511 175.036 -1.525 18097 6473 1 10 . 1 1 137 137 PHE CA C 426 56.707 56.707 57.690 -0.983 18097 6474 1 10 . 1 1 137 137 PHE H H 426 7.817 7.817 7.669 0.148 18097 6475 1 10 . 1 1 138 138 ALA N N 427 124.435 124.435 121.106 3.329 18097 6476 1 10 . 1 1 138 138 ALA HA H 427 4.219 4.219 4.851 -0.632 18097 6477 1 10 . 1 1 138 138 ALA C C 427 173.835 173.835 174.317 -0.482 18097 6478 1 10 . 1 1 138 138 ALA CA C 427 48.933 48.933 49.463 -0.530 18097 6479 1 10 . 1 1 138 138 ALA H H 427 7.451 7.451 7.652 -0.201 18097 6480 1 10 . 1 1 140 140 PHE N N 429 122.819 122.819 121.936 0.883 18097 6481 1 10 . 1 1 140 140 PHE HA H 429 4.795 4.795 4.739 0.056 18097 6482 1 10 . 1 1 140 140 PHE C C 429 173.232 173.232 174.713 -1.481 18097 6483 1 10 . 1 1 140 140 PHE CA C 429 55.556 55.556 55.767 -0.211 18097 6484 1 10 . 1 1 140 140 PHE H H 429 8.009 8.009 8.104 -0.095 18097 6485 1 10 . 1 1 141 141 ILE N N 430 127.916 127.916 124.619 3.297 18097 6486 1 10 . 1 1 141 141 ILE HA H 430 3.992 3.992 3.704 0.288 18097 6487 1 10 . 1 1 141 141 ILE C C 430 175.459 175.459 175.523 -0.064 18097 6488 1 10 . 1 1 141 141 ILE CA C 430 60.443 60.443 62.236 -1.793 18097 6489 1 10 . 1 1 141 141 ILE H H 430 8.069 8.069 7.689 0.380 18097 6490 1 10 . 1 1 142 142 VAL N N 431 131.283 131.283 127.442 3.841 18097 6491 1 10 . 1 1 142 142 VAL HA H 431 4.261 4.261 4.307 -0.046 18097 6492 1 10 . 1 1 142 142 VAL C C 431 173.580 173.580 173.806 -0.226 18097 6493 1 10 . 1 1 142 142 VAL CA C 431 58.828 58.828 58.496 0.332 18097 6494 1 10 . 1 1 142 142 VAL H H 431 8.332 8.332 8.216 0.116 18097 6495 1 10 . 1 1 145 145 SER N N 434 121.965 121.965 118.879 3.086 18097 6496 1 10 . 1 1 145 145 SER C C 434 174.529 174.529 173.944 0.585 18097 6497 1 10 . 1 1 145 145 SER H H 434 8.546 8.546 8.574 -0.028 18097 6498 1 10 . 1 1 149 149 CYS N N 438 126.863 126.863 127.784 -0.921 18097 6499 1 10 . 1 1 149 149 CYS C C 438 173.441 173.441 173.144 0.297 18097 6500 1 10 . 1 1 149 149 CYS CA C 438 58.256 58.256 58.238 0.018 18097 6501 1 10 . 1 1 149 149 CYS H H 438 8.557 8.557 8.507 0.050 18097 6502 1 10 . 1 1 151 151 ASP N N 440 123.283 123.283 120.657 2.626 18097 6503 1 10 . 1 1 151 151 ASP HA H 440 4.550 4.550 4.778 -0.228 18097 6504 1 10 . 1 1 151 151 ASP C C 440 175.505 175.505 175.895 -0.390 18097 6505 1 10 . 1 1 151 151 ASP CA C 440 55.227 55.227 54.783 0.444 18097 6506 1 10 . 1 1 151 151 ASP H H 440 9.027 9.027 9.128 -0.101 18097 6507 1 10 . 1 1 152 152 ARG N N 441 116.407 116.407 118.764 -2.357 18097 6508 1 10 . 1 1 152 152 ARG HA H 441 4.316 4.316 4.879 -0.563 18097 6509 1 10 . 1 1 152 152 ARG C C 441 173.858 173.858 173.316 0.542 18097 6510 1 10 . 1 1 152 152 ARG CA C 441 54.486 54.486 55.969 -1.483 18097 6511 1 10 . 1 1 152 152 ARG H H 441 6.962 6.962 7.346 -0.384 18097 6512 1 10 . 1 1 153 153 VAL N N 442 123.155 123.155 126.040 -2.885 18097 6513 1 10 . 1 1 153 153 VAL C C 442 174.967 174.967 174.857 0.110 18097 6514 1 10 . 1 1 153 153 VAL CA C 442 60.174 60.174 60.346 -0.172 18097 6515 1 10 . 1 1 153 153 VAL H H 442 8.689 8.689 8.780 -0.091 18097 6516 1 10 . 1 1 154 154 GLY N N 443 114.213 114.213 114.321 -0.108 18097 6517 1 10 . 1 1 154 154 GLY C C 443 171.584 171.584 172.822 -1.238 18097 6518 1 10 . 1 1 154 154 GLY CA C 443 44.827 44.827 43.689 1.138 18097 6519 1 10 . 1 1 154 154 GLY H H 443 9.100 9.100 8.879 0.222 18097 6520 1 10 . 1 1 155 155 VAL N N 444 126.435 126.435 125.163 1.272 18097 6521 1 10 . 1 1 155 155 VAL HA H 444 4.123 4.123 4.615 -0.492 18097 6522 1 10 . 1 1 155 155 VAL C C 444 171.856 171.856 173.588 -1.732 18097 6523 1 10 . 1 1 155 155 VAL CA C 444 60.712 60.712 59.977 0.735 18097 6524 1 10 . 1 1 155 155 VAL H H 444 8.485 8.485 8.387 0.098 18097 6525 1 10 . 1 1 156 156 PHE N N 445 122.110 122.110 128.924 -6.814 18097 6526 1 10 . 1 1 156 156 PHE HA H 445 4.580 4.580 5.392 -0.812 18097 6527 1 10 . 1 1 156 156 PHE C C 445 174.598 174.598 173.308 1.290 18097 6528 1 10 . 1 1 156 156 PHE CA C 445 53.174 53.174 54.926 -1.752 18097 6529 1 10 . 1 1 156 156 PHE H H 445 8.441 8.441 8.652 -0.211 18097 6530 1 10 . 1 1 157 157 VAL N N 446 130.057 130.057 126.799 3.258 18097 6531 1 10 . 1 1 157 157 VAL HA H 446 4.275 4.275 4.682 -0.407 18097 6532 1 10 . 1 1 157 157 VAL C C 446 172.086 172.086 173.592 -1.506 18097 6533 1 10 . 1 1 157 157 VAL CA C 446 59.837 59.837 60.791 -0.953 18097 6534 1 10 . 1 1 157 157 VAL H H 446 9.139 9.139 8.835 0.304 18097 6535 1 10 . 1 1 158 158 ASP N N 447 124.791 124.791 128.236 -3.445 18097 6536 1 10 . 1 1 158 158 ASP HA H 447 4.491 4.491 4.749 -0.258 18097 6537 1 10 . 1 1 158 158 ASP C C 447 176.456 176.456 176.460 -0.004 18097 6538 1 10 . 1 1 158 158 ASP CA C 447 51.794 51.794 51.317 0.477 18097 6539 1 10 . 1 1 158 158 ASP H H 447 7.608 7.608 8.408 -0.800 18097 6540 1 10 . 1 1 159 159 TYR N N 448 125.168 125.168 126.256 -1.088 18097 6541 1 10 . 1 1 159 159 TYR HA H 448 3.793 3.793 4.013 -0.220 18097 6542 1 10 . 1 1 159 159 TYR C C 448 177.894 177.894 176.895 0.999 18097 6543 1 10 . 1 1 159 159 TYR CA C 448 61.688 61.688 63.066 -1.378 18097 6544 1 10 . 1 1 159 159 TYR H H 448 8.778 8.778 7.902 0.876 18097 6545 1 10 . 1 1 160 160 GLU N N 449 116.788 116.788 116.996 -0.208 18097 6546 1 10 . 1 1 160 160 GLU HA H 449 3.967 3.967 3.988 -0.021 18097 6547 1 10 . 1 1 160 160 GLU C C 449 178.520 178.520 177.972 0.548 18097 6548 1 10 . 1 1 160 160 GLU CA C 449 60.578 60.578 59.072 1.506 18097 6549 1 10 . 1 1 160 160 GLU H H 449 8.003 8.003 8.743 -0.740 18097 6550 1 10 . 1 1 161 161 ALA N N 450 119.184 119.184 118.896 0.288 18097 6551 1 10 . 1 1 161 161 ALA HA H 450 4.026 4.026 4.163 -0.137 18097 6552 1 10 . 1 1 161 161 ALA C C 450 176.664 176.664 177.172 -0.508 18097 6553 1 10 . 1 1 161 161 ALA CA C 450 51.895 51.895 52.553 -0.658 18097 6554 1 10 . 1 1 161 161 ALA H H 450 7.695 7.695 8.328 -0.633 18097 6555 1 10 . 1 1 162 162 CYS N N 451 112.485 112.485 115.681 -3.196 18097 6556 1 10 . 1 1 162 162 CYS C C 451 173.047 173.047 172.891 0.156 18097 6557 1 10 . 1 1 162 162 CYS CA C 451 59.063 59.063 59.492 -0.430 18097 6558 1 10 . 1 1 162 162 CYS H H 451 7.880 7.880 8.394 -0.514 18097 6559 1 10 . 1 1 163 163 THR N N 452 106.985 106.985 110.152 -3.167 18097 6560 1 10 . 1 1 163 163 THR C C 452 173.335 173.335 172.903 0.432 18097 6561 1 10 . 1 1 163 163 THR CA C 452 58.727 58.727 60.043 -1.316 18097 6562 1 10 . 1 1 163 163 THR H H 452 7.623 7.623 7.399 0.224 18097 6563 1 10 . 1 1 164 164 VAL N N 453 119.085 119.085 124.207 -5.122 18097 6564 1 10 . 1 1 164 164 VAL C C 453 174.741 174.741 175.061 -0.320 18097 6565 1 10 . 1 1 164 164 VAL CA C 453 61.756 61.756 61.008 0.748 18097 6566 1 10 . 1 1 164 164 VAL H H 453 7.900 7.900 8.609 -0.709 18097 6567 1 10 . 1 1 165 165 SER N N 454 121.792 121.792 123.936 -2.144 18097 6568 1 10 . 1 1 165 165 SER C C 454 170.888 170.888 172.909 -2.021 18097 6569 1 10 . 1 1 165 165 SER CA C 454 57.482 57.482 57.354 0.128 18097 6570 1 10 . 1 1 165 165 SER H H 454 9.034 9.034 8.942 0.092 18097 6571 1 10 . 1 1 166 166 PHE N N 455 117.889 117.889 120.559 -2.670 18097 6572 1 10 . 1 1 166 166 PHE C C 455 175.064 175.064 174.428 0.636 18097 6573 1 10 . 1 1 166 166 PHE CA C 455 55.361 55.361 56.253 -0.892 18097 6574 1 10 . 1 1 166 166 PHE H H 455 8.076 8.076 8.841 -0.765 18097 6575 1 10 . 1 1 167 167 PHE N N 456 121.297 121.297 121.447 -0.150 18097 6576 1 10 . 1 1 167 167 PHE C C 456 175.018 175.018 175.416 -0.398 18097 6577 1 10 . 1 1 167 167 PHE CA C 456 56.808 56.808 56.471 0.337 18097 6578 1 10 . 1 1 167 167 PHE H H 456 10.023 10.023 9.320 0.703 18097 6579 1 10 . 1 1 168 168 ASN N N 457 120.535 120.535 122.442 -1.907 18097 6580 1 10 . 1 1 168 168 ASN HA H 457 4.591 4.591 5.114 -0.523 18097 6581 1 10 . 1 1 168 168 ASN C C 457 175.157 175.157 176.053 -0.896 18097 6582 1 10 . 1 1 168 168 ASN CA C 457 51.659 51.659 50.590 1.069 18097 6583 1 10 . 1 1 168 168 ASN H H 457 9.646 9.646 8.920 0.726 18097 6584 1 10 . 1 1 169 169 ILE N N 458 124.615 124.615 124.204 0.411 18097 6585 1 10 . 1 1 169 169 ILE C C 458 176.548 176.548 177.365 -0.817 18097 6586 1 10 . 1 1 169 169 ILE CA C 458 62.698 62.698 63.812 -1.114 18097 6587 1 10 . 1 1 169 169 ILE H H 458 7.792 7.792 8.026 -0.234 18097 6588 1 10 . 1 1 170 170 THR N N 459 114.704 114.704 112.309 2.395 18097 6589 1 10 . 1 1 170 170 THR HA H 459 4.004 4.004 4.082 -0.078 18097 6590 1 10 . 1 1 170 170 THR C C 459 173.719 173.719 175.019 -1.300 18097 6591 1 10 . 1 1 170 170 THR CA C 459 64.549 64.549 65.028 -0.479 18097 6592 1 10 . 1 1 170 170 THR H H 459 7.382 7.382 7.825 -0.443 18097 6593 1 10 . 1 1 171 171 ASN N N 460 119.172 119.172 119.057 0.115 18097 6594 1 10 . 1 1 171 171 ASN HA H 460 4.770 4.770 4.908 -0.138 18097 6595 1 10 . 1 1 171 171 ASN C C 460 173.835 173.835 174.243 -0.408 18097 6596 1 10 . 1 1 171 171 ASN CA C 460 49.674 49.674 51.168 -1.494 18097 6597 1 10 . 1 1 171 171 ASN H H 460 7.079 7.079 8.520 -1.441 18097 6598 1 10 . 1 1 172 172 HIS N N 461 111.334 111.334 116.901 -5.567 18097 6599 1 10 . 1 1 172 172 HIS HA H 461 3.942 3.942 4.041 -0.099 18097 6600 1 10 . 1 1 172 172 HIS C C 461 174.114 174.114 174.897 -0.783 18097 6601 1 10 . 1 1 172 172 HIS CA C 461 57.313 57.313 57.718 -0.405 18097 6602 1 10 . 1 1 172 172 HIS H H 461 7.350 7.350 7.786 -0.436 18097 6603 1 10 . 1 1 173 173 GLY N N 462 105.400 105.400 105.770 -0.370 18097 6604 1 10 . 1 1 173 173 GLY C C 462 173.603 173.603 174.463 -0.860 18097 6605 1 10 . 1 1 173 173 GLY CA C 462 47.486 47.486 45.532 1.954 18097 6606 1 10 . 1 1 173 173 GLY H H 462 7.818 7.818 7.914 -0.096 18097 6607 1 10 . 1 1 174 174 PHE N N 463 120.249 120.249 118.829 1.420 18097 6608 1 10 . 1 1 174 174 PHE HA H 463 4.423 4.423 4.538 -0.115 18097 6609 1 10 . 1 1 174 174 PHE C C 463 176.502 176.502 176.443 0.059 18097 6610 1 10 . 1 1 174 174 PHE CA C 463 57.549 57.549 57.927 -0.378 18097 6611 1 10 . 1 1 174 174 PHE H H 463 7.626 7.626 8.077 -0.451 18097 6612 1 10 . 1 1 175 175 LEU N N 464 125.969 125.969 125.284 0.685 18097 6613 1 10 . 1 1 175 175 LEU C C 464 176.780 176.780 176.301 0.479 18097 6614 1 10 . 1 1 175 175 LEU CA C 464 56.068 56.068 56.139 -0.071 18097 6615 1 10 . 1 1 175 175 LEU H H 464 8.561 8.561 8.682 -0.121 18097 6616 1 10 . 1 1 176 176 ILE N N 465 126.876 126.876 126.627 0.249 18097 6617 1 10 . 1 1 176 176 ILE C C 465 175.528 175.528 175.252 0.276 18097 6618 1 10 . 1 1 176 176 ILE CA C 465 63.169 63.169 63.640 -0.471 18097 6619 1 10 . 1 1 176 176 ILE H H 465 9.330 9.330 8.960 0.370 18097 6620 1 10 . 1 1 177 177 TYR N N 466 115.047 115.047 117.720 -2.673 18097 6621 1 10 . 1 1 177 177 TYR HA H 466 4.068 4.068 4.629 -0.561 18097 6622 1 10 . 1 1 177 177 TYR C C 466 171.006 171.006 172.736 -1.730 18097 6623 1 10 . 1 1 177 177 TYR CA C 466 59.097 59.097 57.179 1.917 18097 6624 1 10 . 1 1 177 177 TYR H H 466 7.212 7.212 7.531 -0.319 18097 6625 1 10 . 1 1 178 178 LYS N N 467 127.911 127.911 124.134 3.777 18097 6626 1 10 . 1 1 178 178 LYS C C 467 175.273 175.273 174.378 0.895 18097 6627 1 10 . 1 1 178 178 LYS CA C 467 54.520 54.520 55.274 -0.754 18097 6628 1 10 . 1 1 178 178 LYS H H 467 6.811 6.811 7.070 -0.259 18097 6629 1 10 . 1 1 179 179 PHE N N 468 126.383 126.383 126.934 -0.551 18097 6630 1 10 . 1 1 179 179 PHE HA H 468 4.632 4.632 4.716 -0.084 18097 6631 1 10 . 1 1 179 179 PHE C C 468 175.336 175.336 174.524 0.812 18097 6632 1 10 . 1 1 179 179 PHE CA C 468 58.289 58.289 58.688 -0.399 18097 6633 1 10 . 1 1 179 179 PHE H H 468 9.651 9.651 9.511 0.140 18097 6634 1 10 . 1 1 180 180 SER N N 469 115.506 115.506 116.466 -0.960 18097 6635 1 10 . 1 1 180 180 SER HA H 469 4.837 4.837 4.782 0.055 18097 6636 1 10 . 1 1 180 180 SER C C 469 172.861 172.861 174.551 -1.690 18097 6637 1 10 . 1 1 180 180 SER CA C 469 56.707 56.707 57.076 -0.369 18097 6638 1 10 . 1 1 180 180 SER H H 469 8.485 8.485 8.536 -0.051 18097 6639 1 10 . 1 1 181 181 GLN N N 470 117.133 117.133 118.973 -1.840 18097 6640 1 10 . 1 1 181 181 GLN HA H 470 3.629 3.629 3.794 -0.165 18097 6641 1 10 . 1 1 181 181 GLN C C 470 176.015 176.015 174.519 1.496 18097 6642 1 10 . 1 1 181 181 GLN CA C 470 56.472 56.472 56.725 -0.253 18097 6643 1 10 . 1 1 181 181 GLN H H 470 9.298 9.298 8.616 0.682 18097 6644 1 10 . 1 1 182 182 CYS N N 471 116.032 116.032 118.402 -2.370 18097 6645 1 10 . 1 1 182 182 CYS C C 471 175.899 175.899 175.365 0.534 18097 6646 1 10 . 1 1 182 182 CYS CA C 471 60.039 60.039 58.549 1.490 18097 6647 1 10 . 1 1 182 182 CYS H H 471 7.876 7.876 7.659 0.217 18097 6648 1 10 . 1 1 183 183 SER N N 472 118.074 118.074 120.519 -2.445 18097 6649 1 10 . 1 1 183 183 SER HA H 472 4.194 4.194 4.388 -0.194 18097 6650 1 10 . 1 1 183 183 SER C C 472 174.392 174.392 173.832 0.560 18097 6651 1 10 . 1 1 183 183 SER CA C 472 56.337 56.337 58.566 -2.228 18097 6652 1 10 . 1 1 183 183 SER H H 472 8.561 8.561 9.015 -0.454 18097 6653 1 10 . 1 1 184 184 PHE N N 473 125.605 125.605 126.658 -1.053 18097 6654 1 10 . 1 1 184 184 PHE HA H 473 4.825 4.825 4.519 0.306 18097 6655 1 10 . 1 1 184 184 PHE C C 473 175.157 175.157 176.173 -1.016 18097 6656 1 10 . 1 1 184 184 PHE CA C 473 52.534 52.534 54.662 -2.128 18097 6657 1 10 . 1 1 184 184 PHE H H 473 7.275 7.275 8.052 -0.777 18097 6658 1 10 . 1 1 188 188 VAL N N 477 111.123 111.123 117.662 -6.539 18097 6659 1 10 . 1 1 188 188 VAL C C 477 173.279 173.279 174.068 -0.789 18097 6660 1 10 . 1 1 188 188 VAL CA C 477 58.626 58.626 59.530 -0.904 18097 6661 1 10 . 1 1 188 188 VAL H H 477 7.959 7.959 7.724 0.235 18097 6662 1 10 . 1 1 189 189 PHE N N 478 114.592 114.592 118.657 -4.065 18097 6663 1 10 . 1 1 189 189 PHE CA C 478 54.957 54.957 54.388 0.569 18097 6664 1 10 . 1 1 189 189 PHE H H 478 8.774 8.774 9.586 -0.812 18097 6665 1 10 . 1 1 191 191 TYR N N 480 121.836 121.836 126.459 -4.623 18097 6666 1 10 . 1 1 191 191 TYR HA H 480 5.142 5.142 5.108 0.034 18097 6667 1 10 . 1 1 191 191 TYR C C 480 174.693 174.693 174.436 0.257 18097 6668 1 10 . 1 1 191 191 TYR CA C 480 57.078 57.078 57.162 -0.084 18097 6669 1 10 . 1 1 191 191 TYR H H 480 8.356 8.356 8.339 0.017 18097 6670 1 10 . 1 1 192 192 LEU N N 481 129.065 129.065 127.409 1.656 18097 6671 1 10 . 1 1 192 192 LEU HA H 481 4.605 4.605 4.843 -0.238 18097 6672 1 10 . 1 1 192 192 LEU C C 481 174.137 174.137 174.512 -0.375 18097 6673 1 10 . 1 1 192 192 LEU CA C 481 55.563 55.563 54.141 1.422 18097 6674 1 10 . 1 1 192 192 LEU H H 481 8.261 8.261 7.889 0.372 18097 6675 1 10 . 1 1 193 193 ASN N N 482 114.217 114.217 119.267 -5.050 18097 6676 1 10 . 1 1 193 193 ASN CA C 482 49.505 49.505 50.558 -1.053 18097 6677 1 10 . 1 1 193 193 ASN H H 482 8.007 8.007 8.140 -0.133 18097 6678 1 10 . 1 1 198 198 THR N N 487 121.563 121.563 121.366 0.197 18097 6679 1 10 . 1 1 198 198 THR HA H 487 4.044 4.044 4.158 -0.114 18097 6680 1 10 . 1 1 198 198 THR C C 487 174.206 174.206 174.633 -0.427 18097 6681 1 10 . 1 1 198 198 THR CA C 487 63.203 63.203 63.055 0.148 18097 6682 1 10 . 1 1 198 198 THR H H 487 8.265 8.265 8.483 -0.218 18097 6683 1 10 . 1 1 199 199 VAL N N 488 129.507 129.507 125.626 3.881 18097 6684 1 10 . 1 1 199 199 VAL C C 488 174.832 174.832 174.186 0.646 18097 6685 1 10 . 1 1 199 199 VAL CA C 488 61.419 61.419 60.264 1.155 18097 6686 1 10 . 1 1 199 199 VAL H H 488 8.737 8.737 7.496 1.241 18097 6687 1 10 . 1 1 201 201 MET N N 490 116.897 116.897 122.946 -6.049 18097 6688 1 10 . 1 1 201 201 MET HA H 490 5.073 5.073 5.241 -0.168 18097 6689 1 10 . 1 1 201 201 MET C C 490 175.180 175.180 175.382 -0.202 18097 6690 1 10 . 1 1 201 201 MET CA C 490 53.712 53.712 54.248 -0.536 18097 6691 1 10 . 1 1 201 201 MET H H 490 8.545 8.545 8.709 -0.164 18097 6692 1 10 . 1 1 202 202 THR N N 491 117.791 117.791 119.672 -1.881 18097 6693 1 10 . 1 1 202 202 THR HA H 491 4.977 4.977 5.003 -0.026 18097 6694 1 10 . 1 1 202 202 THR C C 491 173.981 173.981 174.293 -0.312 18097 6695 1 10 . 1 1 202 202 THR CA C 491 62.058 62.058 61.061 0.997 18097 6696 1 10 . 1 1 202 202 THR H H 491 8.312 8.312 8.311 0.001 18097 6697 1 10 . 1 1 203 203 LEU N N 492 129.237 129.237 123.497 5.740 18097 6698 1 10 . 1 1 203 203 LEU HA H 492 4.756 4.756 5.165 -0.409 18097 6699 1 10 . 1 1 203 203 LEU C C 492 176.131 176.131 176.942 -0.811 18097 6700 1 10 . 1 1 203 203 LEU CA C 492 55.294 55.294 53.788 1.506 18097 6701 1 10 . 1 1 203 203 LEU H H 492 9.048 9.048 8.085 0.963 18097 6702 1 10 . 1 1 204 204 CYS N N 493 122.012 122.012 120.775 1.237 18097 6703 1 10 . 1 1 204 204 CYS HA H 493 4.577 4.577 4.068 0.509 18097 6704 1 10 . 1 1 204 204 CYS C C 493 174.531 174.531 174.547 -0.016 18097 6705 1 10 . 1 1 204 204 CYS CA C 493 58.188 58.188 61.446 -3.258 18097 6706 1 10 . 1 1 204 204 CYS H H 493 8.609 8.609 8.832 -0.223 18097 6707 1 10 . 1 1 205 205 SER N N 494 120.249 120.249 112.151 8.098 18097 6708 1 10 . 1 1 205 205 SER C C 494 171.632 171.632 171.612 0.020 18097 6709 1 10 . 1 1 205 205 SER CA C 494 56.909 56.909 57.493 -0.584 18097 6710 1 10 . 1 1 205 205 SER H H 494 8.665 8.665 8.507 0.158 18097 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 141 3.573 0.029 3.585 18097 2 1 1 "Average Difference" HA 102 0.447 0.131 0.429 18097 3 1 1 "Average Difference" C 139 0.918 0.175 0.904 18097 4 1 1 "Average Difference" CA 143 1.207 0.196 1.195 18097 5 1 1 "Average Difference" CB 19 1.428 -0.801 1.215 18097 6 1 1 "Average Difference" HN 141 0.635 -0.047 0.635 18097 7 1 2 "Average Difference" N 141 3.525 0.094 3.536 18097 8 1 2 "Average Difference" HA 102 0.438 0.131 0.420 18097 9 1 2 "Average Difference" C 139 0.924 0.187 0.908 18097 10 1 2 "Average Difference" CA 143 1.223 0.185 1.213 18097 11 1 2 "Average Difference" CB 19 1.437 -0.776 1.243 18097 12 1 2 "Average Difference" HN 141 0.630 -0.040 0.631 18097 13 1 3 "Average Difference" N 141 3.604 -0.007 3.617 18097 14 1 3 "Average Difference" HA 102 0.430 0.138 0.409 18097 15 1 3 "Average Difference" C 139 0.920 0.184 0.905 18097 16 1 3 "Average Difference" CA 143 1.229 0.203 1.216 18097 17 1 3 "Average Difference" CB 19 1.164 -0.676 0.974 18097 18 1 3 "Average Difference" HN 141 0.625 -0.028 0.627 18097 19 1 4 "Average Difference" N 141 3.310 0.051 3.321 18097 20 1 4 "Average Difference" HA 102 0.447 0.128 0.430 18097 21 1 4 "Average Difference" C 139 0.908 0.165 0.896 18097 22 1 4 "Average Difference" CA 143 1.217 0.188 1.207 18097 23 1 4 "Average Difference" CB 19 1.336 -0.577 1.238 18097 24 1 4 "Average Difference" HN 141 0.618 -0.034 0.619 18097 25 1 5 "Average Difference" N 141 3.505 0.063 3.517 18097 26 1 5 "Average Difference" HA 102 0.436 0.142 0.414 18097 27 1 5 "Average Difference" C 139 0.921 0.171 0.908 18097 28 1 5 "Average Difference" CA 143 1.216 0.237 1.197 18097 29 1 5 "Average Difference" CB 19 1.214 -0.686 1.028 18097 30 1 5 "Average Difference" HN 141 0.621 -0.024 0.623 18097 31 1 6 "Average Difference" N 141 3.406 0.029 3.418 18097 32 1 6 "Average Difference" HA 102 0.440 0.135 0.420 18097 33 1 6 "Average Difference" C 139 0.925 0.184 0.910 18097 34 1 6 "Average Difference" CA 143 1.224 0.264 1.199 18097 35 1 6 "Average Difference" CB 19 1.145 -0.586 1.010 18097 36 1 6 "Average Difference" HN 141 0.625 -0.032 0.626 18097 37 1 7 "Average Difference" N 141 3.447 0.041 3.459 18097 38 1 7 "Average Difference" HA 102 0.434 0.134 0.415 18097 39 1 7 "Average Difference" C 139 0.928 0.203 0.909 18097 40 1 7 "Average Difference" CA 143 1.224 0.268 1.199 18097 41 1 7 "Average Difference" CB 19 1.123 -0.573 0.992 18097 42 1 7 "Average Difference" HN 141 0.627 -0.012 0.630 18097 43 1 8 "Average Difference" N 141 3.466 0.058 3.478 18097 44 1 8 "Average Difference" HA 102 0.427 0.128 0.410 18097 45 1 8 "Average Difference" C 139 0.936 0.168 0.924 18097 46 1 8 "Average Difference" CA 143 1.217 0.213 1.202 18097 47 1 8 "Average Difference" CB 19 1.142 -0.592 1.004 18097 48 1 8 "Average Difference" HN 141 0.624 -0.028 0.626 18097 49 1 9 "Average Difference" N 141 3.564 0.106 3.575 18097 50 1 9 "Average Difference" HA 102 0.441 0.135 0.422 18097 51 1 9 "Average Difference" C 139 0.914 0.196 0.896 18097 52 1 9 "Average Difference" CA 143 1.275 0.239 1.256 18097 53 1 9 "Average Difference" CB 19 1.406 -0.850 1.151 18097 54 1 9 "Average Difference" HN 141 0.619 -0.014 0.621 18097 55 1 10 "Average Difference" N 141 3.351 0.051 3.363 18097 56 1 10 "Average Difference" HA 102 0.443 0.145 0.421 18097 57 1 10 "Average Difference" C 139 0.908 0.177 0.894 18097 58 1 10 "Average Difference" CA 143 1.195 0.158 1.189 18097 59 1 10 "Average Difference" CB 19 1.345 -0.673 1.197 18097 60 1 10 "Average Difference" HN 141 0.628 -0.023 0.630 18097 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 18097 _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 3 3 GLU N N 292 122.345 122.345 122.620 -0.275 18097 2 1 . 1 1 3 3 GLU HA H 292 3.992 3.992 3.989 0.003 18097 3 1 . 1 1 3 3 GLU C C 292 178.218 178.218 177.657 0.561 18097 4 1 . 1 1 3 3 GLU CA C 292 58.828 58.828 59.537 -0.709 18097 5 1 . 1 1 3 3 GLU H H 292 8.831 8.831 8.542 0.289 18097 6 1 . 1 1 4 4 LEU N N 293 121.001 121.001 118.305 2.696 18097 7 1 . 1 1 4 4 LEU C C 293 177.175 177.175 177.611 -0.436 18097 8 1 . 1 1 4 4 LEU CA C 293 57.044 57.044 57.223 -0.179 18097 9 1 . 1 1 4 4 LEU H H 293 7.976 7.976 7.947 0.029 18097 10 1 . 1 1 5 5 THR N N 294 113.069 113.069 114.148 -1.079 18097 11 1 . 1 1 5 5 THR HA H 294 3.916 3.916 3.714 0.202 18097 12 1 . 1 1 5 5 THR C C 294 176.200 176.200 175.358 0.842 18097 13 1 . 1 1 5 5 THR CA C 294 66.164 66.164 66.452 -0.287 18097 14 1 . 1 1 5 5 THR H H 294 7.535 7.535 7.481 0.054 18097 15 1 . 1 1 6 6 ASP N N 295 119.926 119.926 119.871 0.055 18097 16 1 . 1 1 6 6 ASP HA H 295 4.085 4.085 4.353 -0.268 18097 17 1 . 1 1 6 6 ASP C C 295 177.314 177.314 178.037 -0.723 18097 18 1 . 1 1 6 6 ASP CA C 295 56.808 56.808 56.366 0.442 18097 19 1 . 1 1 6 6 ASP H H 295 7.530 7.530 7.982 -0.453 18097 20 1 . 1 1 7 7 ALA N N 296 121.726 121.726 122.357 -0.631 18097 21 1 . 1 1 7 7 ALA HA H 296 4.109 4.109 3.446 0.663 18097 22 1 . 1 1 7 7 ALA C C 296 178.659 178.659 179.115 -0.456 18097 23 1 . 1 1 7 7 ALA CA C 296 54.655 54.655 53.858 0.797 18097 24 1 . 1 1 7 7 ALA H H 296 7.227 7.227 6.991 0.236 18097 25 1 . 1 1 8 8 ARG N N 297 112.468 112.468 116.476 -4.008 18097 26 1 . 1 1 8 8 ARG C C 297 178.033 178.033 177.954 0.079 18097 27 1 . 1 1 8 8 ARG CA C 297 58.424 58.424 57.879 0.545 18097 28 1 . 1 1 8 8 ARG H H 297 7.370 7.370 7.326 0.044 18097 29 1 . 1 1 9 9 ARG N N 298 118.926 118.926 118.557 0.369 18097 30 1 . 1 1 9 9 ARG HA H 298 3.832 3.832 3.907 -0.075 18097 31 1 . 1 1 9 9 ARG C C 298 176.827 176.827 176.933 -0.105 18097 32 1 . 1 1 9 9 ARG CA C 298 58.289 58.289 58.182 0.107 18097 33 1 . 1 1 9 9 ARG H H 298 7.059 7.059 7.103 -0.043 18097 34 1 . 1 1 10 10 TYR N N 299 118.201 118.201 116.187 2.014 18097 35 1 . 1 1 10 10 TYR HA H 299 4.853 4.853 4.739 0.114 18097 36 1 . 1 1 10 10 TYR C C 299 174.832 174.832 174.362 0.470 18097 37 1 . 1 1 10 10 TYR CA C 299 56.943 56.943 56.129 0.814 18097 38 1 . 1 1 10 10 TYR H H 299 7.800 7.800 7.439 0.361 18097 39 1 . 1 1 11 11 TRP N N 300 123.427 123.427 123.251 0.176 18097 40 1 . 1 1 11 11 TRP HA H 300 4.577 4.577 5.312 -0.735 18097 41 1 . 1 1 11 11 TRP C C 300 177.082 177.082 176.788 0.294 18097 42 1 . 1 1 11 11 TRP CA C 300 58.558 58.558 58.474 0.084 18097 43 1 . 1 1 11 11 TRP H H 300 7.122 7.122 7.654 -0.532 18097 44 1 . 1 1 13 13 ASP N N 302 122.160 122.160 123.705 -1.545 18097 45 1 . 1 1 13 13 ASP HA H 302 4.605 4.605 4.738 -0.133 18097 46 1 . 1 1 13 13 ASP C C 302 174.786 174.786 175.819 -1.033 18097 47 1 . 1 1 13 13 ASP CA C 302 53.005 53.005 54.037 -1.033 18097 48 1 . 1 1 13 13 ASP H H 302 8.496 8.496 8.593 -0.097 18097 49 1 . 1 1 14 14 VAL N N 303 126.934 126.934 126.187 0.747 18097 50 1 . 1 1 14 14 VAL HA H 303 4.096 4.096 4.182 -0.086 18097 51 1 . 1 1 14 14 VAL C C 303 174.670 174.670 175.611 -0.941 18097 52 1 . 1 1 14 14 VAL CA C 303 62.429 62.429 61.272 1.158 18097 53 1 . 1 1 14 14 VAL H H 303 7.877 7.877 8.121 -0.244 18097 54 1 . 1 1 15 15 THR N N 304 114.829 114.829 118.787 -3.958 18097 55 1 . 1 1 15 15 THR HA H 304 4.536 4.536 4.752 -0.216 18097 56 1 . 1 1 15 15 THR C C 304 173.951 173.951 174.083 -0.132 18097 57 1 . 1 1 15 15 THR CA C 304 58.592 58.592 60.164 -1.571 18097 58 1 . 1 1 15 15 THR H H 304 8.321 8.321 8.270 0.051 18097 59 1 . 1 1 16 16 LEU N N 305 121.392 121.392 125.035 -3.643 18097 60 1 . 1 1 16 16 LEU HA H 305 4.322 4.322 4.494 -0.172 18097 61 1 . 1 1 16 16 LEU C C 305 175.876 175.876 176.778 -0.902 18097 62 1 . 1 1 16 16 LEU CA C 305 54.526 54.526 54.854 -0.328 18097 63 1 . 1 1 16 16 LEU H H 305 8.967 8.967 8.512 0.455 18097 64 1 . 1 1 17 17 ALA N N 306 124.039 124.039 125.877 -1.838 18097 65 1 . 1 1 17 17 ALA HA H 306 4.385 4.385 4.760 -0.375 18097 66 1 . 1 1 17 17 ALA C C 306 177.360 177.360 176.717 0.643 18097 67 1 . 1 1 17 17 ALA CA C 306 50.515 50.515 50.672 -0.157 18097 68 1 . 1 1 17 17 ALA H H 306 8.409 8.409 8.261 0.148 18097 69 1 . 1 1 18 18 THR N N 307 114.041 114.041 115.772 -1.731 18097 70 1 . 1 1 18 18 THR HA H 307 4.398 4.398 4.260 0.138 18097 71 1 . 1 1 18 18 THR C C 307 174.206 174.206 173.935 0.271 18097 72 1 . 1 1 18 18 THR CA C 307 61.722 61.722 62.331 -0.609 18097 73 1 . 1 1 18 18 THR H H 307 8.146 8.146 8.400 -0.254 18097 74 1 . 1 1 19 19 ASN N N 308 119.841 119.841 124.282 -4.441 18097 75 1 . 1 1 19 19 ASN HA H 308 4.687 4.687 4.825 -0.138 18097 76 1 . 1 1 19 19 ASN C C 308 174.577 174.577 174.945 -0.368 18097 77 1 . 1 1 19 19 ASN CA C 308 52.871 52.871 52.152 0.719 18097 78 1 . 1 1 19 19 ASN H H 308 8.470 8.470 8.449 0.021 18097 79 1 . 1 1 38 38 PRO HA H 327 4.207 4.207 4.384 -0.177 18097 80 1 . 1 1 38 38 PRO C C 327 176.641 176.641 177.693 -1.052 18097 81 1 . 1 1 38 38 PRO CA C 327 63.443 63.443 63.105 0.338 18097 82 1 . 1 1 38 38 PRO CB C 327 31.714 31.714 32.202 -0.488 18097 83 1 . 1 1 39 39 GLN N N 328 118.424 118.424 118.017 0.407 18097 84 1 . 1 1 39 39 GLN HA H 328 4.111 4.111 4.148 -0.037 18097 85 1 . 1 1 39 39 GLN C C 328 175.853 175.853 176.279 -0.426 18097 86 1 . 1 1 39 39 GLN CA C 328 56.136 56.136 58.058 -1.922 18097 87 1 . 1 1 39 39 GLN CB C 328 28.981 28.981 28.933 0.048 18097 88 1 . 1 1 39 39 GLN H H 328 8.139 8.139 8.536 -0.397 18097 89 1 . 1 1 40 40 ILE N N 329 119.966 119.966 110.967 8.999 18097 90 1 . 1 1 40 40 ILE HA H 329 3.998 3.998 4.417 -0.419 18097 91 1 . 1 1 40 40 ILE C C 329 175.690 175.690 174.927 0.763 18097 92 1 . 1 1 40 40 ILE CA C 329 60.601 60.601 60.228 0.373 18097 93 1 . 1 1 40 40 ILE CB C 329 38.274 38.274 37.679 0.595 18097 94 1 . 1 1 40 40 ILE H H 329 7.688 7.688 7.717 -0.029 18097 95 1 . 1 1 41 41 MET N N 330 123.189 123.189 119.617 3.572 18097 96 1 . 1 1 41 41 MET HA H 330 4.286 4.286 3.981 0.305 18097 97 1 . 1 1 41 41 MET C C 330 175.389 175.389 174.820 0.569 18097 98 1 . 1 1 41 41 MET CA C 330 55.046 55.046 56.417 -1.371 18097 99 1 . 1 1 41 41 MET CB C 330 32.499 32.499 30.981 1.518 18097 100 1 . 1 1 41 41 MET H H 330 8.044 8.044 8.101 -0.057 18097 101 1 . 1 1 42 42 TYR N N 331 121.297 121.297 113.888 7.409 18097 102 1 . 1 1 42 42 TYR HA H 331 4.398 4.398 4.131 0.267 18097 103 1 . 1 1 42 42 TYR C C 331 174.879 174.879 174.890 -0.011 18097 104 1 . 1 1 42 42 TYR CA C 331 57.599 57.599 59.308 -1.709 18097 105 1 . 1 1 42 42 TYR CB C 331 38.825 38.825 36.150 2.675 18097 106 1 . 1 1 42 42 TYR H H 331 8.024 8.024 8.247 -0.223 18097 107 1 . 1 1 43 43 GLN N N 332 122.431 122.431 117.314 5.117 18097 108 1 . 1 1 43 43 GLN HA H 332 4.148 4.148 4.178 -0.030 18097 109 1 . 1 1 43 43 GLN C C 332 174.345 174.345 175.970 -1.625 18097 110 1 . 1 1 43 43 GLN CA C 332 54.714 54.714 55.700 -0.986 18097 111 1 . 1 1 43 43 GLN CB C 332 29.741 29.741 30.265 -0.524 18097 112 1 . 1 1 43 43 GLN H H 332 7.894 7.894 7.565 0.329 18097 113 1 . 1 1 44 44 ALA N N 333 126.670 126.670 125.826 0.844 18097 114 1 . 1 1 44 44 ALA HA H 333 4.367 4.367 4.101 0.266 18097 115 1 . 1 1 44 44 ALA C C 333 175.459 175.459 176.049 -0.590 18097 116 1 . 1 1 44 44 ALA CA C 333 50.358 50.358 52.082 -1.724 18097 117 1 . 1 1 44 44 ALA CB C 333 17.603 17.603 18.308 -0.705 18097 118 1 . 1 1 44 44 ALA H H 333 8.141 8.141 7.573 0.568 18097 119 1 . 1 1 45 45 PRO HA H 334 4.273 4.273 4.262 0.011 18097 120 1 . 1 1 45 45 PRO CA C 334 63.318 63.318 62.953 0.365 18097 121 1 . 1 1 45 45 PRO CB C 334 31.697 31.697 31.011 0.686 18097 122 1 . 1 1 46 46 GLY N N 335 109.630 109.630 107.407 2.223 18097 123 1 . 1 1 46 46 GLY C C 335 174.322 174.322 174.629 -0.307 18097 124 1 . 1 1 46 46 GLY CA C 335 45.255 45.255 45.307 -0.052 18097 125 1 . 1 1 46 46 GLY H H 335 8.478 8.478 8.228 0.251 18097 126 1 . 1 1 47 47 THR N N 336 113.015 113.015 117.768 -4.753 18097 127 1 . 1 1 47 47 THR HA H 336 4.210 4.210 4.434 -0.224 18097 128 1 . 1 1 47 47 THR C C 336 174.067 174.067 174.525 -0.458 18097 129 1 . 1 1 47 47 THR CA C 336 61.547 61.547 62.343 -0.796 18097 130 1 . 1 1 47 47 THR CB C 336 69.516 69.516 69.226 0.290 18097 131 1 . 1 1 47 47 THR H H 336 7.734 7.734 8.047 -0.313 18097 132 1 . 1 1 48 48 LEU N N 337 123.635 123.635 116.497 7.138 18097 133 1 . 1 1 48 48 LEU HA H 337 4.152 4.152 3.824 0.328 18097 134 1 . 1 1 48 48 LEU C C 337 176.618 176.618 177.140 -0.522 18097 135 1 . 1 1 48 48 LEU CA C 337 55.025 55.025 56.858 -1.834 18097 136 1 . 1 1 48 48 LEU CB C 337 42.098 42.098 39.607 2.491 18097 137 1 . 1 1 48 48 LEU H H 337 8.087 8.087 7.725 0.362 18097 138 1 . 1 1 49 49 PHE N N 338 120.255 120.255 118.457 1.798 18097 139 1 . 1 1 49 49 PHE HA H 338 4.496 4.496 4.369 0.127 18097 140 1 . 1 1 49 49 PHE C C 338 175.227 175.227 176.683 -1.456 18097 141 1 . 1 1 49 49 PHE CA C 338 57.234 57.234 60.126 -2.892 18097 142 1 . 1 1 49 49 PHE CB C 338 39.290 39.290 38.332 0.958 18097 143 1 . 1 1 49 49 PHE H H 338 8.017 8.017 7.701 0.316 18097 144 1 . 1 1 50 50 THR N N 339 115.141 115.141 112.239 2.902 18097 145 1 . 1 1 50 50 THR HA H 339 4.137 4.137 4.059 0.078 18097 146 1 . 1 1 50 50 THR C C 339 173.255 173.255 174.266 -1.010 18097 147 1 . 1 1 50 50 THR CA C 339 61.244 61.244 64.341 -3.097 18097 148 1 . 1 1 50 50 THR CB C 339 69.643 69.643 67.832 1.811 18097 149 1 . 1 1 50 50 THR H H 339 7.741 7.741 8.201 -0.460 18097 150 1 . 1 1 51 51 PHE N N 340 122.603 122.603 114.831 7.772 18097 151 1 . 1 1 51 51 PHE HA H 340 4.571 4.571 4.758 -0.187 18097 152 1 . 1 1 51 51 PHE C C 340 173.858 173.858 172.643 1.215 18097 153 1 . 1 1 51 51 PHE CA C 340 56.874 56.874 55.180 1.694 18097 154 1 . 1 1 51 51 PHE CB C 340 39.250 39.250 37.775 1.475 18097 155 1 . 1 1 51 51 PHE H H 340 7.996 7.996 7.355 0.641 18097 156 1 . 1 1 52 52 PRO HA H 341 4.278 4.278 4.121 0.157 18097 157 1 . 1 1 52 52 PRO CA C 341 63.297 63.297 63.569 -0.272 18097 158 1 . 1 1 52 52 PRO CB C 341 31.190 31.190 31.045 0.145 18097 159 1 . 1 1 53 53 SER N N 342 114.918 114.918 117.451 -2.533 18097 160 1 . 1 1 53 53 SER HA H 342 4.334 4.334 4.302 0.032 18097 161 1 . 1 1 53 53 SER C C 342 174.508 174.508 175.755 -1.247 18097 162 1 . 1 1 53 53 SER CA C 342 58.019 58.019 60.427 -2.407 18097 163 1 . 1 1 53 53 SER CB C 342 63.587 63.587 63.161 0.426 18097 164 1 . 1 1 53 53 SER H H 342 8.119 8.119 8.148 -0.029 18097 165 1 . 1 1 54 54 LEU N N 343 123.426 123.426 115.418 8.008 18097 166 1 . 1 1 54 54 LEU HA H 343 4.307 4.307 4.173 0.134 18097 167 1 . 1 1 54 54 LEU C C 343 177.314 177.314 177.576 -0.262 18097 168 1 . 1 1 54 54 LEU CA C 343 55.224 55.224 56.580 -1.356 18097 169 1 . 1 1 54 54 LEU CB C 343 41.934 41.934 41.374 0.559 18097 170 1 . 1 1 54 54 LEU H H 343 8.180 8.180 7.688 0.492 18097 171 1 . 1 1 55 55 THR N N 344 112.921 112.921 110.592 2.329 18097 172 1 . 1 1 55 55 THR HA H 344 4.144 4.144 4.269 -0.126 18097 173 1 . 1 1 55 55 THR C C 344 173.928 173.928 174.383 -0.455 18097 174 1 . 1 1 55 55 THR CA C 344 61.565 61.565 62.156 -0.591 18097 175 1 . 1 1 55 55 THR CB C 344 69.396 69.396 69.574 -0.178 18097 176 1 . 1 1 55 55 THR H H 344 7.911 7.911 7.629 0.282 18097 177 1 . 1 1 56 56 ASN N N 345 119.978 119.978 120.344 -0.366 18097 178 1 . 1 1 56 56 ASN HA H 345 4.482 4.482 4.384 0.098 18097 179 1 . 1 1 56 56 ASN C C 345 174.137 174.137 175.245 -1.108 18097 180 1 . 1 1 56 56 ASN CA C 345 52.938 52.938 55.411 -2.473 18097 181 1 . 1 1 56 56 ASN CB C 345 38.110 38.110 38.094 0.016 18097 182 1 . 1 1 56 56 ASN H H 345 8.097 8.097 8.376 -0.279 18097 183 1 . 1 1 57 57 PHE N N 346 120.030 120.030 118.961 1.069 18097 184 1 . 1 1 57 57 PHE HA H 346 4.482 4.482 4.212 0.270 18097 185 1 . 1 1 57 57 PHE C C 346 174.693 174.693 174.345 0.348 18097 186 1 . 1 1 57 57 PHE CA C 346 57.381 57.381 59.254 -1.873 18097 187 1 . 1 1 57 57 PHE CB C 346 39.313 39.313 38.210 1.103 18097 188 1 . 1 1 57 57 PHE H H 346 7.919 7.919 8.622 -0.703 18097 189 1 . 1 1 58 58 ASN N N 347 125.759 125.759 118.272 7.487 18097 190 1 . 1 1 58 58 ASN CA C 347 57.145 57.145 53.415 3.730 18097 191 1 . 1 1 58 58 ASN H H 347 7.656 7.656 8.037 -0.381 18097 192 1 . 1 1 64 64 LEU N N 353 120.532 120.532 120.678 -0.146 18097 193 1 . 1 1 64 64 LEU HA H 353 4.398 4.398 5.356 -0.958 18097 194 1 . 1 1 64 64 LEU C C 353 178.380 178.380 177.180 1.200 18097 195 1 . 1 1 64 64 LEU CA C 353 51.933 51.933 52.398 -0.465 18097 196 1 . 1 1 64 64 LEU H H 353 8.518 8.518 8.755 -0.237 18097 197 1 . 1 1 65 65 GLY N N 354 102.514 102.514 106.477 -3.963 18097 198 1 . 1 1 65 65 GLY C C 354 172.884 172.884 174.534 -1.650 18097 199 1 . 1 1 65 65 GLY CA C 354 44.491 44.491 44.745 -0.254 18097 200 1 . 1 1 65 65 GLY H H 354 8.051 8.051 8.089 -0.038 18097 201 1 . 1 1 66 66 SER N N 355 113.869 113.869 113.087 0.782 18097 202 1 . 1 1 66 66 SER HA H 355 4.015 4.015 4.257 -0.242 18097 203 1 . 1 1 66 66 SER C C 355 174.276 174.276 175.066 -0.790 18097 204 1 . 1 1 66 66 SER CA C 355 59.770 59.770 59.583 0.187 18097 205 1 . 1 1 66 66 SER H H 355 8.724 8.724 8.516 0.208 18097 206 1 . 1 1 67 67 GLN N N 356 121.985 121.985 120.621 1.364 18097 207 1 . 1 1 67 67 GLN HA H 356 4.474 4.474 4.632 -0.158 18097 208 1 . 1 1 67 67 GLN C C 356 173.905 173.905 174.596 -0.691 18097 209 1 . 1 1 67 67 GLN CA C 356 54.655 54.655 54.612 0.043 18097 210 1 . 1 1 67 67 GLN H H 356 7.995 7.995 8.034 -0.039 18097 211 1 . 1 1 68 68 SER N N 357 118.695 118.695 117.199 1.496 18097 212 1 . 1 1 68 68 SER HA H 357 4.852 4.852 3.687 1.165 18097 213 1 . 1 1 68 68 SER C C 357 173.835 173.835 173.780 0.055 18097 214 1 . 1 1 68 68 SER CA C 357 56.472 56.472 56.724 -0.252 18097 215 1 . 1 1 68 68 SER H H 357 8.145 8.145 8.473 -0.328 18097 216 1 . 1 1 69 69 ILE N N 358 123.370 123.370 121.894 1.476 18097 217 1 . 1 1 69 69 ILE C C 358 175.018 175.018 174.698 0.320 18097 218 1 . 1 1 69 69 ILE CA C 358 60.780 60.780 60.662 0.118 18097 219 1 . 1 1 69 69 ILE H H 358 8.813 8.813 8.111 0.702 18097 220 1 . 1 1 70 70 THR N N 359 113.324 113.324 116.184 -2.860 18097 221 1 . 1 1 70 70 THR HA H 359 3.967 3.967 3.409 0.558 18097 222 1 . 1 1 70 70 THR C C 359 172.026 172.026 173.065 -1.039 18097 223 1 . 1 1 70 70 THR CA C 359 59.366 59.366 60.116 -0.750 18097 224 1 . 1 1 70 70 THR H H 359 8.250 8.250 8.397 -0.148 18097 225 1 . 1 1 71 71 SER N N 360 111.494 111.494 113.978 -2.484 18097 226 1 . 1 1 71 71 SER HA H 360 4.085 4.085 4.448 -0.363 18097 227 1 . 1 1 71 71 SER C C 360 173.835 173.835 173.477 0.358 18097 228 1 . 1 1 71 71 SER CA C 360 57.818 57.818 58.353 -0.535 18097 229 1 . 1 1 71 71 SER H H 360 6.964 6.964 7.014 -0.051 18097 230 1 . 1 1 72 72 GLY N N 361 112.909 112.909 108.295 4.614 18097 231 1 . 1 1 72 72 GLY C C 361 171.400 171.400 172.484 -1.084 18097 232 1 . 1 1 72 72 GLY CA C 361 45.265 45.265 44.893 0.372 18097 233 1 . 1 1 72 72 GLY H H 361 10.408 10.408 8.629 1.779 18097 234 1 . 1 1 73 73 LYS N N 362 118.005 118.005 120.387 -2.382 18097 235 1 . 1 1 73 73 LYS C C 362 175.366 175.366 175.563 -0.197 18097 236 1 . 1 1 73 73 LYS CA C 362 54.621 54.621 55.290 -0.669 18097 237 1 . 1 1 73 73 LYS H H 362 7.310 7.310 8.053 -0.743 18097 238 1 . 1 1 74 74 HIS N N 363 118.405 118.405 119.363 -0.958 18097 239 1 . 1 1 74 74 HIS HA H 363 4.880 4.880 5.385 -0.505 18097 240 1 . 1 1 74 74 HIS C C 363 172.467 172.467 173.459 -0.992 18097 241 1 . 1 1 74 74 HIS CA C 363 56.371 56.371 55.039 1.332 18097 242 1 . 1 1 74 74 HIS H H 363 8.399 8.399 8.687 -0.288 18097 243 1 . 1 1 75 75 TYR N N 364 125.182 125.182 124.077 1.105 18097 244 1 . 1 1 75 75 TYR C C 364 172.852 172.852 172.977 -0.125 18097 245 1 . 1 1 75 75 TYR CA C 364 55.361 55.361 56.275 -0.914 18097 246 1 . 1 1 75 75 TYR H H 364 8.153 8.153 8.792 -0.639 18097 247 1 . 1 1 76 76 TRP N N 365 123.210 123.210 124.041 -0.831 18097 248 1 . 1 1 76 76 TRP C C 365 171.510 171.510 172.884 -1.374 18097 249 1 . 1 1 76 76 TRP CA C 365 57.549 57.549 55.714 1.835 18097 250 1 . 1 1 76 76 TRP H H 365 7.621 7.621 7.584 0.037 18097 251 1 . 1 1 78 78 VAL N N 367 122.416 122.416 121.749 0.667 18097 252 1 . 1 1 78 78 VAL HA H 367 4.756 4.756 4.755 0.001 18097 253 1 . 1 1 78 78 VAL C C 367 174.461 174.461 174.112 0.349 18097 254 1 . 1 1 78 78 VAL CA C 367 60.208 60.208 60.842 -0.634 18097 255 1 . 1 1 78 78 VAL H H 367 8.910 8.910 8.938 -0.028 18097 256 1 . 1 1 79 79 ASP N N 368 128.257 128.257 127.703 0.554 18097 257 1 . 1 1 79 79 ASP C C 368 175.343 175.343 175.543 -0.200 18097 258 1 . 1 1 79 79 ASP CA C 368 53.914 53.914 53.163 0.752 18097 259 1 . 1 1 79 79 ASP H H 368 9.795 9.795 9.119 0.676 18097 260 1 . 1 1 80 80 VAL N N 369 118.519 118.519 120.813 -2.294 18097 261 1 . 1 1 80 80 VAL C C 369 176.131 176.131 175.233 0.898 18097 262 1 . 1 1 80 80 VAL CA C 369 59.027 59.027 60.208 -1.181 18097 263 1 . 1 1 80 80 VAL H H 369 8.394 8.394 7.737 0.656 18097 264 1 . 1 1 81 81 SER N N 370 123.584 123.584 120.018 3.566 18097 265 1 . 1 1 81 81 SER C C 370 174.829 174.829 174.969 -0.140 18097 266 1 . 1 1 81 81 SER CA C 370 61.285 61.285 59.453 1.832 18097 267 1 . 1 1 81 81 SER H H 370 8.754 8.754 8.388 0.366 18097 268 1 . 1 1 82 82 LYS N N 371 115.025 115.025 120.568 -5.543 18097 269 1 . 1 1 82 82 LYS C C 371 175.922 175.922 175.929 -0.007 18097 270 1 . 1 1 82 82 LYS CA C 371 58.222 58.222 57.900 0.322 18097 271 1 . 1 1 82 82 LYS H H 371 8.789 8.789 8.907 -0.118 18097 272 1 . 1 1 83 83 LYS N N 372 117.904 117.904 119.839 -1.935 18097 273 1 . 1 1 83 83 LYS C C 372 177.824 177.824 177.385 0.439 18097 274 1 . 1 1 83 83 LYS CA C 372 57.784 57.784 56.273 1.511 18097 275 1 . 1 1 83 83 LYS H H 372 7.825 7.825 7.543 0.282 18097 276 1 . 1 1 84 84 SER N N 373 122.569 122.569 116.937 5.632 18097 277 1 . 1 1 84 84 SER HA H 373 4.348 4.348 4.484 -0.136 18097 278 1 . 1 1 84 84 SER C C 373 172.270 172.270 173.030 -0.760 18097 279 1 . 1 1 84 84 SER CA C 373 58.996 58.996 57.967 1.029 18097 280 1 . 1 1 84 84 SER H H 373 9.839 9.839 8.636 1.203 18097 281 1 . 1 1 85 85 ALA N N 374 120.821 120.821 120.772 0.049 18097 282 1 . 1 1 85 85 ALA C C 374 174.253 174.253 174.775 -0.522 18097 283 1 . 1 1 85 85 ALA CA C 374 51.020 51.020 51.715 -0.695 18097 284 1 . 1 1 85 85 ALA H H 374 7.130 7.130 7.387 -0.257 18097 285 1 . 1 1 86 86 TRP N N 375 109.378 109.378 116.039 -6.661 18097 286 1 . 1 1 86 86 TRP C C 375 176.096 176.096 173.272 2.824 18097 287 1 . 1 1 86 86 TRP CA C 375 56.909 56.909 56.507 0.402 18097 288 1 . 1 1 86 86 TRP H H 375 7.876 7.876 7.680 0.196 18097 289 1 . 1 1 87 87 ILE N N 376 118.409 118.409 121.654 -3.245 18097 290 1 . 1 1 87 87 ILE C C 376 175.405 175.405 174.829 0.576 18097 291 1 . 1 1 87 87 ILE CA C 376 60.679 60.679 59.882 0.797 18097 292 1 . 1 1 87 87 ILE H H 376 9.270 9.270 9.162 0.108 18097 293 1 . 1 1 88 88 LEU N N 377 122.952 122.952 121.946 1.006 18097 294 1 . 1 1 88 88 LEU C C 377 174.967 174.967 175.964 -0.996 18097 295 1 . 1 1 88 88 LEU CA C 377 54.520 54.520 53.217 1.303 18097 296 1 . 1 1 88 88 LEU H H 377 9.422 9.422 8.656 0.766 18097 297 1 . 1 1 89 89 GLY N N 378 103.446 103.446 108.076 -4.630 18097 298 1 . 1 1 89 89 GLY C C 378 171.976 171.976 172.811 -0.835 18097 299 1 . 1 1 89 89 GLY CA C 378 47.251 47.251 46.721 0.530 18097 300 1 . 1 1 89 89 GLY H H 378 8.366 8.366 8.725 -0.359 18097 301 1 . 1 1 90 90 VAL N N 379 130.348 130.348 121.005 9.343 18097 302 1 . 1 1 90 90 VAL HA H 379 4.164 4.164 5.193 -1.029 18097 303 1 . 1 1 90 90 VAL C C 379 172.847 172.847 174.004 -1.157 18097 304 1 . 1 1 90 90 VAL CA C 379 60.477 60.477 61.376 -0.899 18097 305 1 . 1 1 90 90 VAL H H 379 9.224 9.224 8.515 0.709 18097 306 1 . 1 1 91 91 CYS N N 380 122.658 122.658 123.656 -0.998 18097 307 1 . 1 1 91 91 CYS C C 380 173.630 173.630 173.557 0.073 18097 308 1 . 1 1 91 91 CYS CA C 380 55.429 55.429 55.740 -0.311 18097 309 1 . 1 1 91 91 CYS H H 380 9.398 9.398 9.364 0.034 18097 310 1 . 1 1 92 92 ALA N N 381 127.998 127.998 125.392 2.606 18097 311 1 . 1 1 92 92 ALA HA H 381 5.049 5.049 5.094 -0.045 18097 312 1 . 1 1 92 92 ALA C C 381 176.479 176.479 176.324 0.155 18097 313 1 . 1 1 92 92 ALA CA C 381 52.400 52.400 51.210 1.190 18097 314 1 . 1 1 92 92 ALA H H 381 9.478 9.478 7.990 1.488 18097 315 1 . 1 1 93 93 GLY N N 382 108.533 108.533 105.511 3.022 18097 316 1 . 1 1 93 93 GLY C C 382 173.580 173.580 172.939 0.641 18097 317 1 . 1 1 93 93 GLY CA C 382 43.212 43.212 44.218 -1.006 18097 318 1 . 1 1 93 93 GLY H H 382 8.194 8.194 7.240 0.955 18097 319 1 . 1 1 94 94 PHE N N 383 116.476 116.476 118.323 -1.847 18097 320 1 . 1 1 94 94 PHE HA H 383 4.536 4.536 4.956 -0.420 18097 321 1 . 1 1 94 94 PHE C C 383 178.079 178.079 176.844 1.235 18097 322 1 . 1 1 94 94 PHE CA C 383 56.627 56.627 56.417 0.210 18097 323 1 . 1 1 94 94 PHE H H 383 8.290 8.290 8.245 0.045 18097 324 1 . 1 1 105 105 ASN N N 394 112.033 112.033 115.881 -3.848 18097 325 1 . 1 1 105 105 ASN HA H 394 4.715 4.715 4.899 -0.184 18097 326 1 . 1 1 105 105 ASN C C 394 173.835 173.835 173.723 0.111 18097 327 1 . 1 1 105 105 ASN CA C 394 51.929 51.929 52.024 -0.095 18097 328 1 . 1 1 105 105 ASN H H 394 6.912 6.912 7.614 -0.702 18097 329 1 . 1 1 106 106 GLU N N 395 117.585 117.585 116.281 1.304 18097 330 1 . 1 1 106 106 GLU C C 395 175.574 175.574 175.057 0.517 18097 331 1 . 1 1 106 106 GLU CA C 395 56.808 56.808 57.040 -0.232 18097 332 1 . 1 1 106 106 GLU H H 395 7.354 7.354 7.659 -0.305 18097 333 1 . 1 1 107 107 ASN N N 396 118.664 118.664 118.179 0.485 18097 334 1 . 1 1 107 107 ASN HA H 396 4.536 4.536 4.662 -0.126 18097 335 1 . 1 1 107 107 ASN C C 396 173.441 173.441 173.682 -0.241 18097 336 1 . 1 1 107 107 ASN CA C 396 50.448 50.448 51.542 -1.094 18097 337 1 . 1 1 107 107 ASN H H 396 8.082 8.082 7.525 0.557 18097 338 1 . 1 1 108 108 TYR N N 397 117.301 117.301 120.807 -3.506 18097 339 1 . 1 1 108 108 TYR HA H 397 4.605 4.605 3.904 0.701 18097 340 1 . 1 1 108 108 TYR C C 397 173.186 173.186 174.724 -1.538 18097 341 1 . 1 1 108 108 TYR CA C 397 55.530 55.530 58.278 -2.748 18097 342 1 . 1 1 108 108 TYR H H 397 6.101 6.101 7.177 -1.076 18097 343 1 . 1 1 109 109 GLN N N 398 114.934 114.934 120.915 -5.981 18097 344 1 . 1 1 109 109 GLN C C 398 175.064 175.064 174.072 0.992 18097 345 1 . 1 1 109 109 GLN CA C 398 53.241 53.241 52.769 0.472 18097 346 1 . 1 1 109 109 GLN H H 398 6.115 6.115 8.375 -2.260 18097 347 1 . 1 1 111 111 LYS N N 400 120.723 120.723 115.321 5.402 18097 348 1 . 1 1 111 111 LYS HA H 400 4.068 4.068 4.017 0.051 18097 349 1 . 1 1 111 111 LYS C C 400 177.244 177.244 177.205 0.039 18097 350 1 . 1 1 111 111 LYS CA C 400 58.289 58.289 58.097 0.192 18097 351 1 . 1 1 111 111 LYS H H 400 10.775 10.775 8.009 2.766 18097 352 1 . 1 1 112 112 TYR N N 401 120.182 120.182 117.225 2.957 18097 353 1 . 1 1 112 112 TYR HA H 401 3.612 3.612 4.553 -0.941 18097 354 1 . 1 1 112 112 TYR C C 401 175.853 175.853 175.061 0.792 18097 355 1 . 1 1 112 112 TYR CA C 401 53.847 53.847 56.104 -2.257 18097 356 1 . 1 1 112 112 TYR H H 401 7.647 7.647 7.514 0.133 18097 357 1 . 1 1 113 113 GLY N N 402 107.764 107.764 106.717 1.047 18097 358 1 . 1 1 113 113 GLY C C 402 171.679 171.679 172.402 -0.723 18097 359 1 . 1 1 113 113 GLY CA C 402 45.972 45.972 44.790 1.182 18097 360 1 . 1 1 113 113 GLY H H 402 8.057 8.057 7.081 0.976 18097 361 1 . 1 1 114 114 TYR N N 403 115.659 115.659 118.468 -2.809 18097 362 1 . 1 1 114 114 TYR C C 403 173.013 173.013 174.839 -1.826 18097 363 1 . 1 1 114 114 TYR CA C 403 57.515 57.515 56.690 0.825 18097 364 1 . 1 1 114 114 TYR H H 403 6.585 6.585 7.050 -0.465 18097 365 1 . 1 1 115 115 TRP N N 404 125.437 125.437 127.045 -1.608 18097 366 1 . 1 1 115 115 TRP C C 404 175.405 175.405 174.589 0.816 18097 367 1 . 1 1 115 115 TRP CA C 404 57.650 57.650 55.799 1.851 18097 368 1 . 1 1 115 115 TRP H H 404 8.420 8.420 9.073 -0.653 18097 369 1 . 1 1 116 116 VAL N N 405 116.317 116.317 116.734 -0.417 18097 370 1 . 1 1 116 116 VAL C C 405 174.368 174.368 174.056 0.312 18097 371 1 . 1 1 116 116 VAL CA C 405 58.525 58.525 59.225 -0.700 18097 372 1 . 1 1 116 116 VAL H H 405 9.825 9.825 7.769 2.055 18097 373 1 . 1 1 117 117 ILE N N 406 110.464 110.464 114.498 -4.034 18097 374 1 . 1 1 117 117 ILE C C 406 174.879 174.879 174.628 0.251 18097 375 1 . 1 1 117 117 ILE CA C 406 58.929 58.929 58.667 0.263 18097 376 1 . 1 1 117 117 ILE H H 406 8.268 8.268 8.517 -0.249 18097 377 1 . 1 1 118 118 GLY N N 407 105.424 105.424 108.420 -2.996 18097 378 1 . 1 1 118 118 GLY C C 407 169.418 169.418 170.969 -1.551 18097 379 1 . 1 1 118 118 GLY CA C 407 45.770 45.770 43.714 2.056 18097 380 1 . 1 1 118 118 GLY H H 407 9.115 9.115 8.906 0.209 18097 381 1 . 1 1 119 119 LEU N N 408 118.628 118.628 119.911 -1.283 18097 382 1 . 1 1 119 119 LEU C C 408 176.224 176.224 173.936 2.288 18097 383 1 . 1 1 119 119 LEU CA C 408 52.265 52.265 52.441 -0.176 18097 384 1 . 1 1 119 119 LEU H H 408 7.892 7.892 7.413 0.479 18097 385 1 . 1 1 120 120 GLN N N 409 123.541 123.541 124.150 -0.609 18097 386 1 . 1 1 120 120 GLN HA H 409 4.233 4.233 4.725 -0.492 18097 387 1 . 1 1 120 120 GLN C C 409 173.000 173.000 175.171 -2.171 18097 388 1 . 1 1 120 120 GLN CA C 409 54.284 54.284 54.607 -0.323 18097 389 1 . 1 1 120 120 GLN H H 409 8.375 8.375 8.449 -0.074 18097 390 1 . 1 1 121 121 GLU N N 410 117.179 117.179 120.600 -3.421 18097 391 1 . 1 1 121 121 GLU C C 410 176.800 176.800 176.345 0.455 18097 392 1 . 1 1 121 121 GLU CA C 410 56.809 56.809 57.183 -0.374 18097 393 1 . 1 1 121 121 GLU H H 410 8.864 8.864 9.161 -0.297 18097 394 1 . 1 1 125 125 TYR N N 414 128.783 128.783 123.749 5.034 18097 395 1 . 1 1 125 125 TYR HA H 414 5.192 5.192 5.354 -0.162 18097 396 1 . 1 1 125 125 TYR C C 414 176.827 176.827 176.254 0.573 18097 397 1 . 1 1 125 125 TYR CA C 414 57.212 57.212 57.807 -0.595 18097 398 1 . 1 1 125 125 TYR H H 414 9.145 9.145 8.495 0.650 18097 399 1 . 1 1 126 126 SER N N 415 117.388 117.388 114.669 2.719 18097 400 1 . 1 1 126 126 SER HA H 415 5.049 5.049 5.106 -0.057 18097 401 1 . 1 1 126 126 SER C C 415 170.913 170.913 172.041 -1.128 18097 402 1 . 1 1 126 126 SER CA C 415 57.482 57.482 58.010 -0.528 18097 403 1 . 1 1 126 126 SER H H 415 9.192 9.192 9.130 0.062 18097 404 1 . 1 1 127 127 VAL N N 416 119.557 119.557 121.294 -1.737 18097 405 1 . 1 1 127 127 VAL C C 416 172.653 172.653 173.881 -1.228 18097 406 1 . 1 1 127 127 VAL CA C 416 59.703 59.703 59.781 -0.077 18097 407 1 . 1 1 127 127 VAL H H 416 8.761 8.761 8.769 -0.008 18097 408 1 . 1 1 128 128 PHE N N 417 127.341 127.341 129.350 -2.009 18097 409 1 . 1 1 128 128 PHE HA H 417 4.267 4.267 4.649 -0.382 18097 410 1 . 1 1 128 128 PHE C C 417 174.925 174.925 174.881 0.044 18097 411 1 . 1 1 128 128 PHE CA C 417 58.458 58.458 59.320 -0.862 18097 412 1 . 1 1 128 128 PHE H H 417 7.150 7.150 8.399 -1.249 18097 413 1 . 1 1 129 129 GLN N N 418 122.834 122.834 121.135 1.699 18097 414 1 . 1 1 129 129 GLN HA H 418 4.125 4.125 4.756 -0.631 18097 415 1 . 1 1 129 129 GLN C C 418 176.038 176.038 175.061 0.977 18097 416 1 . 1 1 129 129 GLN CA C 418 53.679 53.679 53.930 -0.251 18097 417 1 . 1 1 129 129 GLN H H 418 8.693 8.693 7.720 0.973 18097 418 1 . 1 1 130 130 ASP N N 419 119.994 119.994 120.370 -0.376 18097 419 1 . 1 1 130 130 ASP HA H 419 4.964 4.964 4.694 0.270 18097 420 1 . 1 1 130 130 ASP C C 419 178.218 178.218 176.702 1.516 18097 421 1 . 1 1 130 130 ASP CA C 419 54.991 54.991 55.429 -0.438 18097 422 1 . 1 1 130 130 ASP H H 419 8.425 8.425 8.504 -0.079 18097 423 1 . 1 1 131 131 GLY N N 420 107.499 107.499 109.177 -1.678 18097 424 1 . 1 1 131 131 GLY C C 420 174.415 174.415 173.288 1.127 18097 425 1 . 1 1 131 131 GLY CA C 420 44.735 44.735 43.776 0.960 18097 426 1 . 1 1 131 131 GLY H H 420 8.112 8.112 8.996 -0.884 18097 427 1 . 1 1 132 132 SER N N 421 115.128 115.128 114.248 0.880 18097 428 1 . 1 1 132 132 SER C C 421 176.177 176.177 176.470 -0.293 18097 429 1 . 1 1 132 132 SER CA C 421 57.515 57.515 57.475 0.040 18097 430 1 . 1 1 132 132 SER H H 421 8.016 8.016 8.452 -0.436 18097 431 1 . 1 1 137 137 PHE N N 426 115.968 115.968 115.779 0.189 18097 432 1 . 1 1 137 137 PHE HA H 426 4.525 4.525 4.598 -0.072 18097 433 1 . 1 1 137 137 PHE C C 426 173.511 173.511 175.025 -1.514 18097 434 1 . 1 1 137 137 PHE CA C 426 56.707 56.707 57.657 -0.949 18097 435 1 . 1 1 137 137 PHE H H 426 7.817 7.817 7.676 0.141 18097 436 1 . 1 1 138 138 ALA N N 427 124.435 124.435 121.100 3.335 18097 437 1 . 1 1 138 138 ALA HA H 427 4.219 4.219 4.845 -0.626 18097 438 1 . 1 1 138 138 ALA C C 427 173.835 173.835 174.314 -0.479 18097 439 1 . 1 1 138 138 ALA CA C 427 48.933 48.933 49.459 -0.526 18097 440 1 . 1 1 138 138 ALA H H 427 7.451 7.451 7.648 -0.197 18097 441 1 . 1 1 140 140 PHE N N 429 122.819 122.819 121.936 0.883 18097 442 1 . 1 1 140 140 PHE HA H 429 4.795 4.795 4.739 0.056 18097 443 1 . 1 1 140 140 PHE C C 429 173.232 173.232 174.714 -1.482 18097 444 1 . 1 1 140 140 PHE CA C 429 55.556 55.556 55.767 -0.211 18097 445 1 . 1 1 140 140 PHE H H 429 8.009 8.009 8.104 -0.095 18097 446 1 . 1 1 141 141 ILE N N 430 127.916 127.916 124.863 3.053 18097 447 1 . 1 1 141 141 ILE HA H 430 3.992 3.992 3.705 0.287 18097 448 1 . 1 1 141 141 ILE C C 430 175.459 175.459 175.459 0.000 18097 449 1 . 1 1 141 141 ILE CA C 430 60.443 60.443 62.222 -1.779 18097 450 1 . 1 1 141 141 ILE H H 430 8.069 8.069 7.667 0.402 18097 451 1 . 1 1 142 142 VAL N N 431 131.283 131.283 127.763 3.520 18097 452 1 . 1 1 142 142 VAL HA H 431 4.261 4.261 4.320 -0.059 18097 453 1 . 1 1 142 142 VAL C C 431 173.580 173.580 173.805 -0.225 18097 454 1 . 1 1 142 142 VAL CA C 431 58.828 58.828 58.580 0.248 18097 455 1 . 1 1 142 142 VAL H H 431 8.332 8.332 8.193 0.139 18097 456 1 . 1 1 145 145 SER N N 434 121.965 121.965 118.817 3.148 18097 457 1 . 1 1 145 145 SER C C 434 174.529 174.529 173.984 0.545 18097 458 1 . 1 1 145 145 SER H H 434 8.546 8.546 8.585 -0.039 18097 459 1 . 1 1 149 149 CYS N N 438 126.863 126.863 127.699 -0.836 18097 460 1 . 1 1 149 149 CYS C C 438 173.441 173.441 173.201 0.240 18097 461 1 . 1 1 149 149 CYS CA C 438 58.256 58.256 58.523 -0.267 18097 462 1 . 1 1 149 149 CYS H H 438 8.557 8.557 8.532 0.025 18097 463 1 . 1 1 151 151 ASP N N 440 123.283 123.283 120.689 2.594 18097 464 1 . 1 1 151 151 ASP HA H 440 4.550 4.550 4.777 -0.228 18097 465 1 . 1 1 151 151 ASP C C 440 175.505 175.505 175.850 -0.345 18097 466 1 . 1 1 151 151 ASP CA C 440 55.227 55.227 54.785 0.442 18097 467 1 . 1 1 151 151 ASP H H 440 9.027 9.027 9.126 -0.099 18097 468 1 . 1 1 152 152 ARG N N 441 116.407 116.407 118.751 -2.344 18097 469 1 . 1 1 152 152 ARG HA H 441 4.316 4.316 4.878 -0.562 18097 470 1 . 1 1 152 152 ARG C C 441 173.858 173.858 173.341 0.517 18097 471 1 . 1 1 152 152 ARG CA C 441 54.486 54.486 55.932 -1.446 18097 472 1 . 1 1 152 152 ARG H H 441 6.962 6.962 7.354 -0.392 18097 473 1 . 1 1 153 153 VAL N N 442 123.155 123.155 125.822 -2.667 18097 474 1 . 1 1 153 153 VAL C C 442 174.967 174.967 175.051 -0.084 18097 475 1 . 1 1 153 153 VAL CA C 442 60.174 60.174 60.351 -0.177 18097 476 1 . 1 1 153 153 VAL H H 442 8.689 8.689 8.779 -0.090 18097 477 1 . 1 1 154 154 GLY N N 443 114.213 114.213 114.294 -0.081 18097 478 1 . 1 1 154 154 GLY C C 443 171.584 171.584 172.614 -1.030 18097 479 1 . 1 1 154 154 GLY CA C 443 44.827 44.827 43.684 1.143 18097 480 1 . 1 1 154 154 GLY H H 443 9.100 9.100 8.877 0.223 18097 481 1 . 1 1 155 155 VAL N N 444 126.435 126.435 125.380 1.055 18097 482 1 . 1 1 155 155 VAL HA H 444 4.123 4.123 4.610 -0.487 18097 483 1 . 1 1 155 155 VAL C C 444 171.856 171.856 173.617 -1.761 18097 484 1 . 1 1 155 155 VAL CA C 444 60.712 60.712 60.250 0.462 18097 485 1 . 1 1 155 155 VAL H H 444 8.485 8.485 8.365 0.120 18097 486 1 . 1 1 156 156 PHE N N 445 122.110 122.110 128.907 -6.797 18097 487 1 . 1 1 156 156 PHE HA H 445 4.580 4.580 5.410 -0.830 18097 488 1 . 1 1 156 156 PHE C C 445 174.598 174.598 173.346 1.252 18097 489 1 . 1 1 156 156 PHE CA C 445 53.174 53.174 54.805 -1.631 18097 490 1 . 1 1 156 156 PHE H H 445 8.441 8.441 8.649 -0.208 18097 491 1 . 1 1 157 157 VAL N N 446 130.057 130.057 127.035 3.022 18097 492 1 . 1 1 157 157 VAL HA H 446 4.275 4.275 4.664 -0.389 18097 493 1 . 1 1 157 157 VAL C C 446 172.086 172.086 173.588 -1.502 18097 494 1 . 1 1 157 157 VAL CA C 446 59.837 59.837 60.765 -0.928 18097 495 1 . 1 1 157 157 VAL H H 446 9.139 9.139 8.839 0.300 18097 496 1 . 1 1 158 158 ASP N N 447 124.791 124.791 127.815 -3.025 18097 497 1 . 1 1 158 158 ASP HA H 447 4.491 4.491 4.743 -0.252 18097 498 1 . 1 1 158 158 ASP C C 447 176.456 176.456 176.414 0.042 18097 499 1 . 1 1 158 158 ASP CA C 447 51.794 51.794 51.332 0.462 18097 500 1 . 1 1 158 158 ASP H H 447 7.608 7.608 8.408 -0.800 18097 501 1 . 1 1 159 159 TYR N N 448 125.168 125.168 126.408 -1.240 18097 502 1 . 1 1 159 159 TYR HA H 448 3.793 3.793 4.058 -0.265 18097 503 1 . 1 1 159 159 TYR C C 448 177.894 177.894 176.817 1.077 18097 504 1 . 1 1 159 159 TYR CA C 448 61.688 61.688 62.846 -1.158 18097 505 1 . 1 1 159 159 TYR H H 448 8.778 8.778 7.990 0.789 18097 506 1 . 1 1 160 160 GLU N N 449 116.788 116.788 116.755 0.033 18097 507 1 . 1 1 160 160 GLU HA H 449 3.967 3.967 4.002 -0.035 18097 508 1 . 1 1 160 160 GLU C C 449 178.520 178.520 177.744 0.776 18097 509 1 . 1 1 160 160 GLU CA C 449 60.578 60.578 59.033 1.545 18097 510 1 . 1 1 160 160 GLU H H 449 8.003 8.003 8.736 -0.733 18097 511 1 . 1 1 161 161 ALA N N 450 119.184 119.184 118.699 0.485 18097 512 1 . 1 1 161 161 ALA HA H 450 4.026 4.026 4.188 -0.162 18097 513 1 . 1 1 161 161 ALA C C 450 176.664 176.664 177.134 -0.470 18097 514 1 . 1 1 161 161 ALA CA C 450 51.895 51.895 52.487 -0.592 18097 515 1 . 1 1 161 161 ALA H H 450 7.695 7.695 8.346 -0.651 18097 516 1 . 1 1 162 162 CYS N N 451 112.485 112.485 115.550 -3.065 18097 517 1 . 1 1 162 162 CYS C C 451 173.047 173.047 172.842 0.205 18097 518 1 . 1 1 162 162 CYS CA C 451 59.063 59.063 59.287 -0.224 18097 519 1 . 1 1 162 162 CYS H H 451 7.880 7.880 8.397 -0.517 18097 520 1 . 1 1 163 163 THR N N 452 106.985 106.985 110.476 -3.491 18097 521 1 . 1 1 163 163 THR C C 452 173.335 173.335 173.079 0.256 18097 522 1 . 1 1 163 163 THR CA C 452 58.727 58.727 60.119 -1.392 18097 523 1 . 1 1 163 163 THR H H 452 7.623 7.623 7.436 0.187 18097 524 1 . 1 1 164 164 VAL N N 453 119.085 119.085 124.692 -5.607 18097 525 1 . 1 1 164 164 VAL C C 453 174.741 174.741 175.080 -0.339 18097 526 1 . 1 1 164 164 VAL CA C 453 61.756 61.756 61.086 0.670 18097 527 1 . 1 1 164 164 VAL H H 453 7.900 7.900 8.603 -0.703 18097 528 1 . 1 1 165 165 SER N N 454 121.792 121.792 123.348 -1.557 18097 529 1 . 1 1 165 165 SER C C 454 170.888 170.888 173.011 -2.123 18097 530 1 . 1 1 165 165 SER CA C 454 57.482 57.482 57.000 0.482 18097 531 1 . 1 1 165 165 SER H H 454 9.034 9.034 8.893 0.141 18097 532 1 . 1 1 166 166 PHE N N 455 117.889 117.889 120.583 -2.694 18097 533 1 . 1 1 166 166 PHE C C 455 175.064 175.064 174.433 0.631 18097 534 1 . 1 1 166 166 PHE CA C 455 55.361 55.361 56.296 -0.935 18097 535 1 . 1 1 166 166 PHE H H 455 8.076 8.076 8.827 -0.751 18097 536 1 . 1 1 167 167 PHE N N 456 121.297 121.297 121.449 -0.152 18097 537 1 . 1 1 167 167 PHE C C 456 175.018 175.018 175.418 -0.400 18097 538 1 . 1 1 167 167 PHE CA C 456 56.808 56.808 56.472 0.336 18097 539 1 . 1 1 167 167 PHE H H 456 10.023 10.023 9.322 0.702 18097 540 1 . 1 1 168 168 ASN N N 457 120.535 120.535 122.443 -1.908 18097 541 1 . 1 1 168 168 ASN HA H 457 4.591 4.591 5.115 -0.524 18097 542 1 . 1 1 168 168 ASN C C 457 175.157 175.157 176.054 -0.897 18097 543 1 . 1 1 168 168 ASN CA C 457 51.659 51.659 50.592 1.068 18097 544 1 . 1 1 168 168 ASN H H 457 9.646 9.646 8.922 0.724 18097 545 1 . 1 1 169 169 ILE N N 458 124.615 124.615 124.350 0.265 18097 546 1 . 1 1 169 169 ILE C C 458 176.548 176.548 177.367 -0.819 18097 547 1 . 1 1 169 169 ILE CA C 458 62.698 62.698 63.752 -1.054 18097 548 1 . 1 1 169 169 ILE H H 458 7.792 7.792 8.069 -0.277 18097 549 1 . 1 1 170 170 THR N N 459 114.704 114.704 112.102 2.602 18097 550 1 . 1 1 170 170 THR HA H 459 4.004 4.004 4.077 -0.072 18097 551 1 . 1 1 170 170 THR C C 459 173.719 173.719 175.093 -1.374 18097 552 1 . 1 1 170 170 THR CA C 459 64.549 64.549 64.897 -0.348 18097 553 1 . 1 1 170 170 THR H H 459 7.382 7.382 7.795 -0.413 18097 554 1 . 1 1 171 171 ASN N N 460 119.172 119.172 119.175 -0.003 18097 555 1 . 1 1 171 171 ASN HA H 460 4.770 4.770 4.893 -0.123 18097 556 1 . 1 1 171 171 ASN C C 460 173.835 173.835 174.251 -0.416 18097 557 1 . 1 1 171 171 ASN CA C 460 49.674 49.674 51.194 -1.520 18097 558 1 . 1 1 171 171 ASN H H 460 7.079 7.079 8.496 -1.417 18097 559 1 . 1 1 172 172 HIS N N 461 111.334 111.334 116.901 -5.567 18097 560 1 . 1 1 172 172 HIS HA H 461 3.942 3.942 4.041 -0.099 18097 561 1 . 1 1 172 172 HIS C C 461 174.114 174.114 174.898 -0.784 18097 562 1 . 1 1 172 172 HIS CA C 461 57.313 57.313 57.719 -0.406 18097 563 1 . 1 1 172 172 HIS H H 461 7.350 7.350 7.786 -0.436 18097 564 1 . 1 1 173 173 GLY N N 462 105.400 105.400 105.771 -0.371 18097 565 1 . 1 1 173 173 GLY C C 462 173.603 173.603 174.464 -0.861 18097 566 1 . 1 1 173 173 GLY CA C 462 47.486 47.486 45.533 1.953 18097 567 1 . 1 1 173 173 GLY H H 462 7.818 7.818 7.915 -0.096 18097 568 1 . 1 1 174 174 PHE N N 463 120.249 120.249 118.830 1.419 18097 569 1 . 1 1 174 174 PHE HA H 463 4.423 4.423 4.539 -0.116 18097 570 1 . 1 1 174 174 PHE C C 463 176.502 176.502 176.444 0.058 18097 571 1 . 1 1 174 174 PHE CA C 463 57.549 57.549 57.928 -0.379 18097 572 1 . 1 1 174 174 PHE H H 463 7.626 7.626 8.078 -0.452 18097 573 1 . 1 1 175 175 LEU N N 464 125.969 125.969 125.285 0.684 18097 574 1 . 1 1 175 175 LEU C C 464 176.780 176.780 176.302 0.478 18097 575 1 . 1 1 175 175 LEU CA C 464 56.068 56.068 56.139 -0.071 18097 576 1 . 1 1 175 175 LEU H H 464 8.561 8.561 8.683 -0.122 18097 577 1 . 1 1 176 176 ILE N N 465 126.876 126.876 126.629 0.247 18097 578 1 . 1 1 176 176 ILE C C 465 175.528 175.528 175.253 0.275 18097 579 1 . 1 1 176 176 ILE CA C 465 63.169 63.169 63.641 -0.472 18097 580 1 . 1 1 176 176 ILE H H 465 9.330 9.330 8.962 0.368 18097 581 1 . 1 1 177 177 TYR N N 466 115.047 115.047 117.722 -2.675 18097 582 1 . 1 1 177 177 TYR HA H 466 4.068 4.068 4.631 -0.563 18097 583 1 . 1 1 177 177 TYR C C 466 171.006 171.006 172.738 -1.732 18097 584 1 . 1 1 177 177 TYR CA C 466 59.097 59.097 57.181 1.916 18097 585 1 . 1 1 177 177 TYR H H 466 7.212 7.212 7.532 -0.320 18097 586 1 . 1 1 178 178 LYS N N 467 127.911 127.911 124.135 3.776 18097 587 1 . 1 1 178 178 LYS C C 467 175.273 175.273 174.379 0.894 18097 588 1 . 1 1 178 178 LYS CA C 467 54.520 54.520 55.275 -0.755 18097 589 1 . 1 1 178 178 LYS H H 467 6.811 6.811 7.071 -0.260 18097 590 1 . 1 1 179 179 PHE N N 468 126.383 126.383 126.733 -0.350 18097 591 1 . 1 1 179 179 PHE HA H 468 4.632 4.632 4.742 -0.110 18097 592 1 . 1 1 179 179 PHE C C 468 175.336 175.336 174.638 0.698 18097 593 1 . 1 1 179 179 PHE CA C 468 58.289 58.289 58.648 -0.359 18097 594 1 . 1 1 179 179 PHE H H 468 9.651 9.651 9.470 0.181 18097 595 1 . 1 1 180 180 SER N N 469 115.506 115.506 116.832 -1.326 18097 596 1 . 1 1 180 180 SER HA H 469 4.837 4.837 4.803 0.034 18097 597 1 . 1 1 180 180 SER C C 469 172.861 172.861 174.356 -1.495 18097 598 1 . 1 1 180 180 SER CA C 469 56.707 56.707 57.519 -0.812 18097 599 1 . 1 1 180 180 SER H H 469 8.485 8.485 8.575 -0.089 18097 600 1 . 1 1 181 181 GLN N N 470 117.133 117.133 118.462 -1.329 18097 601 1 . 1 1 181 181 GLN HA H 470 3.629 3.629 3.807 -0.178 18097 602 1 . 1 1 181 181 GLN C C 470 176.015 176.015 174.620 1.395 18097 603 1 . 1 1 181 181 GLN CA C 470 56.472 56.472 56.715 -0.243 18097 604 1 . 1 1 181 181 GLN H H 470 9.298 9.298 8.591 0.707 18097 605 1 . 1 1 182 182 CYS N N 471 116.032 116.032 118.367 -2.335 18097 606 1 . 1 1 182 182 CYS C C 471 175.899 175.899 175.463 0.436 18097 607 1 . 1 1 182 182 CYS CA C 471 60.039 60.039 58.435 1.603 18097 608 1 . 1 1 182 182 CYS H H 471 7.876 7.876 7.610 0.266 18097 609 1 . 1 1 183 183 SER N N 472 118.074 118.074 120.531 -2.457 18097 610 1 . 1 1 183 183 SER HA H 472 4.194 4.194 4.407 -0.213 18097 611 1 . 1 1 183 183 SER C C 472 174.392 174.392 173.778 0.614 18097 612 1 . 1 1 183 183 SER CA C 472 56.337 56.337 58.606 -2.269 18097 613 1 . 1 1 183 183 SER H H 472 8.561 8.561 8.992 -0.431 18097 614 1 . 1 1 184 184 PHE N N 473 125.605 125.605 126.457 -0.852 18097 615 1 . 1 1 184 184 PHE HA H 473 4.825 4.825 4.545 0.280 18097 616 1 . 1 1 184 184 PHE C C 473 175.157 175.157 175.998 -0.841 18097 617 1 . 1 1 184 184 PHE CA C 473 52.534 52.534 54.865 -2.331 18097 618 1 . 1 1 184 184 PHE H H 473 7.275 7.275 8.046 -0.771 18097 619 1 . 1 1 188 188 VAL N N 477 111.123 111.123 118.596 -7.473 18097 620 1 . 1 1 188 188 VAL C C 477 173.279 173.279 174.033 -0.754 18097 621 1 . 1 1 188 188 VAL CA C 477 58.626 58.626 59.882 -1.256 18097 622 1 . 1 1 188 188 VAL H H 477 7.959 7.959 7.783 0.176 18097 623 1 . 1 1 189 189 PHE N N 478 114.592 114.592 118.771 -4.179 18097 624 1 . 1 1 189 189 PHE CA C 478 54.957 54.957 54.383 0.574 18097 625 1 . 1 1 189 189 PHE H H 478 8.774 8.774 9.584 -0.810 18097 626 1 . 1 1 191 191 TYR N N 480 121.836 121.836 126.465 -4.629 18097 627 1 . 1 1 191 191 TYR HA H 480 5.142 5.142 5.117 0.025 18097 628 1 . 1 1 191 191 TYR C C 480 174.693 174.693 174.445 0.248 18097 629 1 . 1 1 191 191 TYR CA C 480 57.078 57.078 57.170 -0.092 18097 630 1 . 1 1 191 191 TYR H H 480 8.356 8.356 8.344 0.012 18097 631 1 . 1 1 192 192 LEU N N 481 129.065 129.065 127.419 1.646 18097 632 1 . 1 1 192 192 LEU HA H 481 4.605 4.605 4.851 -0.246 18097 633 1 . 1 1 192 192 LEU C C 481 174.137 174.137 174.525 -0.388 18097 634 1 . 1 1 192 192 LEU CA C 481 55.563 55.563 54.151 1.412 18097 635 1 . 1 1 192 192 LEU H H 481 8.261 8.261 7.901 0.360 18097 636 1 . 1 1 193 193 ASN N N 482 114.217 114.217 119.280 -5.063 18097 637 1 . 1 1 193 193 ASN CA C 482 49.505 49.505 50.573 -1.068 18097 638 1 . 1 1 193 193 ASN H H 482 8.007 8.007 8.148 -0.141 18097 639 1 . 1 1 198 198 THR N N 487 121.563 121.563 121.883 -0.320 18097 640 1 . 1 1 198 198 THR HA H 487 4.044 4.044 4.159 -0.115 18097 641 1 . 1 1 198 198 THR C C 487 174.206 174.206 174.412 -0.206 18097 642 1 . 1 1 198 198 THR CA C 487 63.203 63.203 63.742 -0.539 18097 643 1 . 1 1 198 198 THR H H 487 8.265 8.265 8.405 -0.140 18097 644 1 . 1 1 199 199 VAL N N 488 129.507 129.507 125.459 4.048 18097 645 1 . 1 1 199 199 VAL C C 488 174.832 174.832 174.272 0.560 18097 646 1 . 1 1 199 199 VAL CA C 488 61.419 61.419 60.427 0.992 18097 647 1 . 1 1 199 199 VAL H H 488 8.737 8.737 7.473 1.264 18097 648 1 . 1 1 201 201 MET N N 490 116.897 116.897 123.031 -6.134 18097 649 1 . 1 1 201 201 MET HA H 490 5.073 5.073 5.231 -0.158 18097 650 1 . 1 1 201 201 MET C C 490 175.180 175.180 175.375 -0.196 18097 651 1 . 1 1 201 201 MET CA C 490 53.712 53.712 54.365 -0.653 18097 652 1 . 1 1 201 201 MET H H 490 8.545 8.545 8.669 -0.124 18097 653 1 . 1 1 202 202 THR N N 491 117.791 117.791 119.668 -1.877 18097 654 1 . 1 1 202 202 THR HA H 491 4.977 4.977 5.010 -0.033 18097 655 1 . 1 1 202 202 THR C C 491 173.981 173.981 174.183 -0.202 18097 656 1 . 1 1 202 202 THR CA C 491 62.058 62.058 61.352 0.706 18097 657 1 . 1 1 202 202 THR H H 491 8.312 8.312 8.269 0.043 18097 658 1 . 1 1 203 203 LEU N N 492 129.237 129.237 123.347 5.890 18097 659 1 . 1 1 203 203 LEU HA H 492 4.756 4.756 5.188 -0.432 18097 660 1 . 1 1 203 203 LEU C C 492 176.131 176.131 176.939 -0.808 18097 661 1 . 1 1 203 203 LEU CA C 492 55.294 55.294 53.714 1.580 18097 662 1 . 1 1 203 203 LEU H H 492 9.048 9.048 8.230 0.818 18097 663 1 . 1 1 204 204 CYS N N 493 122.012 122.012 121.341 0.671 18097 664 1 . 1 1 204 204 CYS HA H 493 4.577 4.577 4.030 0.547 18097 665 1 . 1 1 204 204 CYS C C 493 174.531 174.531 174.357 0.174 18097 666 1 . 1 1 204 204 CYS CA C 493 58.188 58.188 62.034 -3.847 18097 667 1 . 1 1 204 204 CYS H H 493 8.609 8.609 8.850 -0.241 18097 668 1 . 1 1 205 205 SER N N 494 120.249 120.249 111.725 8.524 18097 669 1 . 1 1 205 205 SER C C 494 171.632 171.632 171.735 -0.103 18097 670 1 . 1 1 205 205 SER CA C 494 56.909 56.909 57.772 -0.863 18097 671 1 . 1 1 205 205 SER H H 494 8.665 8.665 8.451 0.214 18097 stop_ save_