data_17685 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 17685 _Entry.PDB_ID 2LDW 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 17685 _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 22 22 SER N N 347 116.741 116.741 120.798 -4.057 17685 2 1 1 . 1 1 22 22 SER HA H 347 4.355 4.355 4.755 -0.400 17685 3 1 1 . 1 1 22 22 SER C C 347 176.272 176.272 174.884 1.388 17685 4 1 1 . 1 1 22 22 SER CA C 347 59.651 59.651 57.305 2.346 17685 5 1 1 . 1 1 22 22 SER CB C 347 63.231 63.231 62.406 0.825 17685 6 1 1 . 1 1 22 22 SER H H 347 8.311 8.311 9.108 -0.797 17685 7 1 1 . 1 1 23 23 LYS N N 348 124.398 124.398 123.032 1.366 17685 8 1 1 . 1 1 23 23 LYS HA H 348 4.142 4.142 3.961 0.181 17685 9 1 1 . 1 1 23 23 LYS C C 348 178.743 178.743 177.669 1.074 17685 10 1 1 . 1 1 23 23 LYS CA C 348 59.304 59.304 59.489 -0.185 17685 11 1 1 . 1 1 23 23 LYS CB C 348 32.301 32.301 32.106 0.195 17685 12 1 1 . 1 1 23 23 LYS H H 348 8.611 8.611 7.789 0.822 17685 13 1 1 . 1 1 24 24 ALA N N 349 122.494 122.494 121.926 0.568 17685 14 1 1 . 1 1 24 24 ALA HA H 349 4.137 4.137 4.314 -0.177 17685 15 1 1 . 1 1 24 24 ALA C C 349 179.869 179.869 179.357 0.512 17685 16 1 1 . 1 1 24 24 ALA CA C 349 54.811 54.811 53.906 0.905 17685 17 1 1 . 1 1 24 24 ALA CB C 349 18.284 18.284 18.119 0.166 17685 18 1 1 . 1 1 24 24 ALA H H 349 8.245 8.245 8.222 0.023 17685 19 1 1 . 1 1 25 25 ALA N N 350 121.576 121.576 121.711 -0.135 17685 20 1 1 . 1 1 25 25 ALA HA H 350 4.136 4.136 4.111 0.025 17685 21 1 1 . 1 1 25 25 ALA C C 350 178.743 178.743 179.542 -0.799 17685 22 1 1 . 1 1 25 25 ALA CA C 350 54.632 54.632 54.678 -0.046 17685 23 1 1 . 1 1 25 25 ALA CB C 350 18.299 18.299 18.356 -0.057 17685 24 1 1 . 1 1 25 25 ALA H H 350 8.014 8.014 7.526 0.488 17685 25 1 1 . 1 1 26 26 LYS N N 351 119.618 119.618 119.146 0.472 17685 26 1 1 . 1 1 26 26 LYS HA H 351 4.196 4.196 3.851 0.345 17685 27 1 1 . 1 1 26 26 LYS C C 351 178.485 178.485 178.684 -0.199 17685 28 1 1 . 1 1 26 26 LYS CA C 351 60.014 60.014 60.088 -0.074 17685 29 1 1 . 1 1 26 26 LYS CB C 351 32.511 32.511 32.140 0.371 17685 30 1 1 . 1 1 26 26 LYS H H 351 7.831 7.831 8.610 -0.779 17685 31 1 1 . 1 1 27 27 LYS N N 352 118.080 118.080 118.461 -0.381 17685 32 1 1 . 1 1 27 27 LYS HA H 352 3.958 3.958 3.981 -0.023 17685 33 1 1 . 1 1 27 27 LYS C C 352 179.564 179.564 178.671 0.893 17685 34 1 1 . 1 1 27 27 LYS CA C 352 60.092 60.092 59.476 0.616 17685 35 1 1 . 1 1 27 27 LYS CB C 352 32.550 32.550 32.342 0.208 17685 36 1 1 . 1 1 27 27 LYS H H 352 7.905 7.905 7.593 0.312 17685 37 1 1 . 1 1 28 28 LYS N N 353 119.878 119.878 118.945 0.933 17685 38 1 1 . 1 1 28 28 LYS HA H 353 4.023 4.023 4.024 -0.001 17685 39 1 1 . 1 1 28 28 LYS C C 353 179.270 179.270 179.100 0.170 17685 40 1 1 . 1 1 28 28 LYS CA C 353 59.806 59.806 59.363 0.443 17685 41 1 1 . 1 1 28 28 LYS CB C 353 32.324 32.324 32.350 -0.026 17685 42 1 1 . 1 1 28 28 LYS H H 353 7.934 7.934 7.442 0.492 17685 43 1 1 . 1 1 29 29 ASN N N 354 119.780 119.780 117.832 1.948 17685 44 1 1 . 1 1 29 29 ASN HA H 354 4.557 4.557 4.487 0.070 17685 45 1 1 . 1 1 29 29 ASN C C 354 177.395 177.395 177.587 -0.192 17685 46 1 1 . 1 1 29 29 ASN CA C 354 56.167 56.167 55.461 0.707 17685 47 1 1 . 1 1 29 29 ASN CB C 354 37.928 37.928 38.026 -0.098 17685 48 1 1 . 1 1 29 29 ASN H H 354 8.524 8.524 8.564 -0.040 17685 49 1 1 . 1 1 30 30 LYS N N 355 118.850 118.850 121.467 -2.617 17685 50 1 1 . 1 1 30 30 LYS HA H 355 3.820 3.820 3.924 -0.104 17685 51 1 1 . 1 1 30 30 LYS C C 355 178.266 178.266 178.659 -0.393 17685 52 1 1 . 1 1 30 30 LYS CA C 355 61.698 61.698 59.201 2.497 17685 53 1 1 . 1 1 30 30 LYS CB C 355 33.000 33.000 32.341 0.659 17685 54 1 1 . 1 1 30 30 LYS H H 355 8.599 8.599 8.568 0.031 17685 55 1 1 . 1 1 31 31 ARG N N 356 118.226 118.226 117.507 0.719 17685 56 1 1 . 1 1 31 31 ARG HA H 356 3.940 3.940 4.212 -0.272 17685 57 1 1 . 1 1 31 31 ARG C C 356 177.676 177.676 178.310 -0.634 17685 58 1 1 . 1 1 31 31 ARG CA C 356 59.316 59.316 58.715 0.601 17685 59 1 1 . 1 1 31 31 ARG CB C 356 30.266 30.266 29.847 0.419 17685 60 1 1 . 1 1 31 31 ARG H H 356 7.809 7.809 7.508 0.301 17685 61 1 1 . 1 1 32 32 ALA N N 357 120.780 120.780 124.004 -3.224 17685 62 1 1 . 1 1 32 32 ALA HA H 357 4.104 4.104 4.086 0.018 17685 63 1 1 . 1 1 32 32 ALA C C 357 181.157 181.157 179.834 1.323 17685 64 1 1 . 1 1 32 32 ALA CA C 357 55.118 55.118 54.983 0.135 17685 65 1 1 . 1 1 32 32 ALA CB C 357 18.064 18.064 18.218 -0.154 17685 66 1 1 . 1 1 32 32 ALA H H 357 8.155 8.155 7.997 0.158 17685 67 1 1 . 1 1 33 33 ILE N N 358 116.468 116.468 117.173 -0.705 17685 68 1 1 . 1 1 33 33 ILE HA H 358 3.590 3.590 3.782 -0.192 17685 69 1 1 . 1 1 33 33 ILE C C 358 179.458 179.458 178.864 0.594 17685 70 1 1 . 1 1 33 33 ILE CA C 358 65.775 65.775 63.498 2.277 17685 71 1 1 . 1 1 33 33 ILE CB C 358 38.592 38.592 36.917 1.675 17685 72 1 1 . 1 1 33 33 ILE H H 358 7.929 7.929 8.102 -0.173 17685 73 1 1 . 1 1 34 34 ARG N N 359 119.937 119.937 120.277 -0.340 17685 74 1 1 . 1 1 34 34 ARG HA H 359 3.998 3.998 4.012 -0.014 17685 75 1 1 . 1 1 34 34 ARG C C 359 179.124 179.124 178.573 0.551 17685 76 1 1 . 1 1 34 34 ARG CA C 359 60.029 60.029 59.938 0.091 17685 77 1 1 . 1 1 34 34 ARG CB C 359 30.576 30.576 29.961 0.615 17685 78 1 1 . 1 1 34 34 ARG H H 359 8.672 8.672 7.538 1.134 17685 79 1 1 . 1 1 35 35 ASN N N 360 116.359 116.359 118.360 -2.001 17685 80 1 1 . 1 1 35 35 ASN HA H 360 4.575 4.575 4.490 0.085 17685 81 1 1 . 1 1 35 35 ASN C C 360 175.723 175.723 176.787 -1.064 17685 82 1 1 . 1 1 35 35 ASN CA C 360 54.215 54.215 55.775 -1.560 17685 83 1 1 . 1 1 35 35 ASN CB C 360 38.575 38.575 37.785 0.790 17685 84 1 1 . 1 1 35 35 ASN H H 360 8.454 8.454 8.641 -0.187 17685 85 1 1 . 1 1 36 36 SER N N 361 115.734 115.734 117.146 -1.412 17685 86 1 1 . 1 1 36 36 SER HA H 361 3.995 3.995 4.133 -0.138 17685 87 1 1 . 1 1 36 36 SER C C 361 176.129 176.129 175.745 0.384 17685 88 1 1 . 1 1 36 36 SER CA C 361 62.349 62.349 62.206 0.143 17685 89 1 1 . 1 1 36 36 SER CB C 361 63.664 63.664 62.828 0.836 17685 90 1 1 . 1 1 36 36 SER H H 361 7.617 7.617 7.553 0.064 17685 91 1 1 . 1 1 37 37 ALA N N 362 124.421 124.421 122.204 2.217 17685 92 1 1 . 1 1 37 37 ALA HA H 362 3.770 3.770 3.869 -0.099 17685 93 1 1 . 1 1 37 37 ALA C C 362 178.482 178.482 177.772 0.710 17685 94 1 1 . 1 1 37 37 ALA CA C 362 54.821 54.821 53.847 0.974 17685 95 1 1 . 1 1 37 37 ALA CB C 362 18.347 18.347 18.295 0.052 17685 96 1 1 . 1 1 37 37 ALA H H 362 6.868 6.868 7.587 -0.719 17685 97 1 1 . 1 1 38 38 LYS N N 363 122.319 122.319 117.583 4.736 17685 98 1 1 . 1 1 38 38 LYS HA H 363 2.913 2.913 4.077 -1.164 17685 99 1 1 . 1 1 38 38 LYS C C 363 180.669 180.669 179.730 0.939 17685 100 1 1 . 1 1 38 38 LYS CA C 363 59.567 59.567 58.828 0.739 17685 101 1 1 . 1 1 38 38 LYS CB C 363 31.563 31.563 32.431 -0.869 17685 102 1 1 . 1 1 38 38 LYS H H 363 8.317 8.317 7.356 0.961 17685 103 1 1 . 1 1 39 39 GLU N N 364 118.666 118.666 118.965 -0.299 17685 104 1 1 . 1 1 39 39 GLU HA H 364 4.015 4.015 4.113 -0.098 17685 105 1 1 . 1 1 39 39 GLU C C 364 176.609 176.609 178.112 -1.503 17685 106 1 1 . 1 1 39 39 GLU CA C 364 58.674 58.674 58.534 0.140 17685 107 1 1 . 1 1 39 39 GLU CB C 364 29.058 29.058 29.615 -0.557 17685 108 1 1 . 1 1 39 39 GLU H H 364 7.935 7.935 8.413 -0.478 17685 109 1 1 . 1 1 40 40 ALA N N 365 121.145 121.145 118.739 2.406 17685 110 1 1 . 1 1 40 40 ALA HA H 365 4.663 4.663 4.570 0.093 17685 111 1 1 . 1 1 40 40 ALA C C 365 177.688 177.688 175.854 1.834 17685 112 1 1 . 1 1 40 40 ALA CA C 365 50.931 50.931 50.754 0.177 17685 113 1 1 . 1 1 40 40 ALA CB C 365 18.566 18.566 20.174 -1.609 17685 114 1 1 . 1 1 40 40 ALA H H 365 7.049 7.049 7.966 -0.917 17685 115 1 1 . 1 1 41 41 ASP N N 366 121.103 121.103 116.781 4.322 17685 116 1 1 . 1 1 41 41 ASP HA H 366 4.338 4.338 4.175 0.163 17685 117 1 1 . 1 1 41 41 ASP C C 366 175.644 175.644 175.091 0.553 17685 118 1 1 . 1 1 41 41 ASP CA C 366 55.898 55.898 54.493 1.405 17685 119 1 1 . 1 1 41 41 ASP CB C 366 39.353 39.353 40.919 -1.567 17685 120 1 1 . 1 1 41 41 ASP H H 366 8.099 8.099 7.284 0.815 17685 121 1 1 . 1 1 42 42 TYR N N 367 110.700 110.700 120.407 -9.707 17685 122 1 1 . 1 1 42 42 TYR HA H 367 2.485 2.485 3.976 -1.491 17685 123 1 1 . 1 1 42 42 TYR C C 367 174.307 174.307 176.246 -1.939 17685 124 1 1 . 1 1 42 42 TYR CA C 367 61.064 61.064 58.741 2.323 17685 125 1 1 . 1 1 42 42 TYR CB C 367 34.242 34.242 38.075 -3.833 17685 126 1 1 . 1 1 42 42 TYR H H 367 8.364 8.364 8.828 -0.464 17685 127 1 1 . 1 1 43 43 PHE N N 368 111.305 111.305 115.538 -4.233 17685 128 1 1 . 1 1 43 43 PHE HA H 368 4.666 4.666 4.234 0.432 17685 129 1 1 . 1 1 43 43 PHE C C 368 177.162 177.162 175.998 1.164 17685 130 1 1 . 1 1 43 43 PHE CA C 368 56.561 56.561 59.064 -2.503 17685 131 1 1 . 1 1 43 43 PHE CB C 368 36.514 36.514 35.909 0.605 17685 132 1 1 . 1 1 43 43 PHE H H 368 7.666 7.666 7.679 -0.013 17685 133 1 1 . 1 1 44 44 GLY N N 369 106.300 106.300 105.375 0.925 17685 134 1 1 . 1 1 44 44 GLY C C 369 174.446 174.446 174.659 -0.213 17685 135 1 1 . 1 1 44 44 GLY CA C 369 45.780 45.780 45.069 0.710 17685 136 1 1 . 1 1 44 44 GLY H H 369 7.671 7.671 8.021 -0.350 17685 137 1 1 . 1 1 45 45 ASP N N 370 122.876 122.876 121.341 1.535 17685 138 1 1 . 1 1 45 45 ASP HA H 370 5.323 5.323 4.849 0.474 17685 139 1 1 . 1 1 45 45 ASP C C 370 176.360 176.360 176.327 0.033 17685 140 1 1 . 1 1 45 45 ASP CA C 370 53.322 53.322 53.523 -0.201 17685 141 1 1 . 1 1 45 45 ASP CB C 370 41.391 41.391 41.108 0.283 17685 142 1 1 . 1 1 45 45 ASP H H 370 8.331 8.331 8.086 0.245 17685 143 1 1 . 1 1 46 46 ALA N N 371 121.771 121.771 123.356 -1.585 17685 144 1 1 . 1 1 46 46 ALA HA H 371 3.600 3.600 3.793 -0.193 17685 145 1 1 . 1 1 46 46 ALA C C 371 179.111 179.111 178.815 0.296 17685 146 1 1 . 1 1 46 46 ALA CA C 371 56.038 56.038 54.540 1.498 17685 147 1 1 . 1 1 46 46 ALA CB C 371 17.942 17.942 18.254 -0.312 17685 148 1 1 . 1 1 46 46 ALA H H 371 8.282 8.282 8.355 -0.073 17685 149 1 1 . 1 1 47 47 ASP N N 372 116.273 116.273 117.814 -1.541 17685 150 1 1 . 1 1 47 47 ASP HA H 372 4.359 4.359 4.411 -0.052 17685 151 1 1 . 1 1 47 47 ASP C C 372 177.019 177.019 177.329 -0.310 17685 152 1 1 . 1 1 47 47 ASP CA C 372 55.832 55.832 56.599 -0.767 17685 153 1 1 . 1 1 47 47 ASP CB C 372 39.190 39.190 40.673 -1.483 17685 154 1 1 . 1 1 47 47 ASP H H 372 9.068 9.068 8.716 0.352 17685 155 1 1 . 1 1 48 48 LYS N N 373 120.180 120.180 116.342 3.838 17685 156 1 1 . 1 1 48 48 LYS HA H 373 4.723 4.723 4.641 0.082 17685 157 1 1 . 1 1 48 48 LYS C C 373 175.542 175.542 176.220 -0.678 17685 158 1 1 . 1 1 48 48 LYS CA C 373 54.787 54.787 55.190 -0.403 17685 159 1 1 . 1 1 48 48 LYS CB C 373 32.179 32.179 31.720 0.459 17685 160 1 1 . 1 1 48 48 LYS H H 373 8.050 8.050 7.809 0.241 17685 161 1 1 . 1 1 49 49 ALA N N 374 122.498 122.498 123.832 -1.334 17685 162 1 1 . 1 1 49 49 ALA HA H 374 3.068 3.068 4.108 -1.040 17685 163 1 1 . 1 1 49 49 ALA C C 374 177.781 177.781 179.175 -1.394 17685 164 1 1 . 1 1 49 49 ALA CA C 374 56.962 56.962 56.049 0.913 17685 165 1 1 . 1 1 49 49 ALA CB C 374 17.855 17.855 18.142 -0.287 17685 166 1 1 . 1 1 49 49 ALA H H 374 7.045 7.045 7.398 -0.353 17685 167 1 1 . 1 1 50 50 THR N N 375 108.573 108.573 112.690 -4.117 17685 168 1 1 . 1 1 50 50 THR HA H 375 4.044 4.044 4.024 0.020 17685 169 1 1 . 1 1 50 50 THR C C 375 177.647 177.647 176.500 1.147 17685 170 1 1 . 1 1 50 50 THR CA C 375 66.201 66.201 67.673 -1.472 17685 171 1 1 . 1 1 50 50 THR CB C 375 68.334 68.334 68.044 0.290 17685 172 1 1 . 1 1 50 50 THR H H 375 8.285 8.285 8.401 -0.116 17685 173 1 1 . 1 1 51 51 THR N N 376 120.018 120.018 119.905 0.113 17685 174 1 1 . 1 1 51 51 THR HA H 376 4.147 4.147 4.046 0.101 17685 175 1 1 . 1 1 51 51 THR C C 376 175.499 175.499 176.648 -1.149 17685 176 1 1 . 1 1 51 51 THR CA C 376 66.145 66.145 66.825 -0.680 17685 177 1 1 . 1 1 51 51 THR CB C 376 69.382 69.382 68.394 0.988 17685 178 1 1 . 1 1 51 51 THR H H 376 7.359 7.359 7.339 0.020 17685 179 1 1 . 1 1 52 52 ILE N N 377 122.319 122.319 122.475 -0.156 17685 180 1 1 . 1 1 52 52 ILE HA H 377 3.168 3.168 3.697 -0.529 17685 181 1 1 . 1 1 52 52 ILE C C 377 177.879 177.879 178.176 -0.297 17685 182 1 1 . 1 1 52 52 ILE CA C 377 67.070 67.070 65.763 1.307 17685 183 1 1 . 1 1 52 52 ILE CB C 377 38.257 38.257 37.778 0.479 17685 184 1 1 . 1 1 52 52 ILE H H 377 8.346 8.346 8.535 -0.189 17685 185 1 1 . 1 1 53 53 ASP N N 378 117.696 117.696 119.717 -2.021 17685 186 1 1 . 1 1 53 53 ASP HA H 378 4.739 4.739 4.389 0.350 17685 187 1 1 . 1 1 53 53 ASP C C 378 180.094 180.094 178.616 1.478 17685 188 1 1 . 1 1 53 53 ASP CA C 378 58.044 58.044 57.651 0.393 17685 189 1 1 . 1 1 53 53 ASP CB C 378 39.648 39.648 40.965 -1.317 17685 190 1 1 . 1 1 53 53 ASP H H 378 8.991 8.991 8.425 0.566 17685 191 1 1 . 1 1 54 54 GLU N N 379 121.956 121.956 119.984 1.972 17685 192 1 1 . 1 1 54 54 GLU HA H 379 4.174 4.174 3.964 0.210 17685 193 1 1 . 1 1 54 54 GLU C C 379 179.679 179.679 179.134 0.545 17685 194 1 1 . 1 1 54 54 GLU CA C 379 59.572 59.572 59.550 0.022 17685 195 1 1 . 1 1 54 54 GLU CB C 379 29.324 29.324 29.672 -0.348 17685 196 1 1 . 1 1 54 54 GLU H H 379 7.946 7.946 8.203 -0.257 17685 197 1 1 . 1 1 55 55 GLN N N 380 120.733 120.733 119.070 1.663 17685 198 1 1 . 1 1 55 55 GLN HA H 380 4.171 4.171 4.100 0.071 17685 199 1 1 . 1 1 55 55 GLN C C 380 178.288 178.288 178.782 -0.494 17685 200 1 1 . 1 1 55 55 GLN CA C 380 59.994 59.994 59.122 0.872 17685 201 1 1 . 1 1 55 55 GLN CB C 380 29.566 29.566 29.049 0.517 17685 202 1 1 . 1 1 55 55 GLN H H 380 8.357 8.357 8.359 -0.002 17685 203 1 1 . 1 1 56 56 VAL N N 381 120.353 120.353 118.732 1.621 17685 204 1 1 . 1 1 56 56 VAL HA H 381 3.536 3.536 3.662 -0.126 17685 205 1 1 . 1 1 56 56 VAL C C 381 178.220 178.220 178.194 0.026 17685 206 1 1 . 1 1 56 56 VAL CA C 381 67.557 67.557 66.048 1.509 17685 207 1 1 . 1 1 56 56 VAL CB C 381 31.349 31.349 30.559 0.790 17685 208 1 1 . 1 1 56 56 VAL H H 381 9.484 9.484 8.176 1.308 17685 209 1 1 . 1 1 57 57 GLY N N 382 106.926 106.926 108.931 -2.005 17685 210 1 1 . 1 1 57 57 GLY C C 382 174.843 174.843 176.203 -1.360 17685 211 1 1 . 1 1 57 57 GLY CA C 382 47.694 47.694 47.346 0.348 17685 212 1 1 . 1 1 57 57 GLY H H 382 8.169 8.169 7.921 0.248 17685 213 1 1 . 1 1 58 58 LEU N N 383 120.610 120.610 123.104 -2.494 17685 214 1 1 . 1 1 58 58 LEU HA H 383 4.151 4.151 4.024 0.127 17685 215 1 1 . 1 1 58 58 LEU C C 383 180.087 180.087 179.179 0.908 17685 216 1 1 . 1 1 58 58 LEU CA C 383 57.974 57.974 57.858 0.116 17685 217 1 1 . 1 1 58 58 LEU CB C 383 42.125 42.125 41.621 0.504 17685 218 1 1 . 1 1 58 58 LEU H H 383 7.568 7.568 8.246 -0.678 17685 219 1 1 . 1 1 59 59 ILE N N 384 120.213 120.213 120.140 0.073 17685 220 1 1 . 1 1 59 59 ILE HA H 384 3.416 3.416 3.657 -0.241 17685 221 1 1 . 1 1 59 59 ILE C C 384 178.310 178.310 178.569 -0.259 17685 222 1 1 . 1 1 59 59 ILE CA C 384 66.069 66.069 65.588 0.481 17685 223 1 1 . 1 1 59 59 ILE CB C 384 38.233 38.233 37.924 0.309 17685 224 1 1 . 1 1 59 59 ILE H H 384 8.057 8.057 8.137 -0.080 17685 225 1 1 . 1 1 60 60 VAL N N 385 115.546 115.546 114.404 1.142 17685 226 1 1 . 1 1 60 60 VAL HA H 385 3.560 3.560 3.645 -0.085 17685 227 1 1 . 1 1 60 60 VAL C C 385 177.921 177.921 177.069 0.852 17685 228 1 1 . 1 1 60 60 VAL CA C 385 66.702 66.702 65.287 1.415 17685 229 1 1 . 1 1 60 60 VAL CB C 385 31.565 31.565 31.698 -0.133 17685 230 1 1 . 1 1 60 60 VAL H H 385 8.672 8.672 8.103 0.569 17685 231 1 1 . 1 1 61 61 ASP N N 386 117.831 117.831 118.471 -0.640 17685 232 1 1 . 1 1 61 61 ASP HA H 386 4.571 4.571 4.590 -0.019 17685 233 1 1 . 1 1 61 61 ASP C C 386 177.238 177.238 177.462 -0.224 17685 234 1 1 . 1 1 61 61 ASP CA C 386 56.184 56.184 56.322 -0.138 17685 235 1 1 . 1 1 61 61 ASP CB C 386 40.632 40.632 41.461 -0.829 17685 236 1 1 . 1 1 61 61 ASP H H 386 7.988 7.988 8.318 -0.330 17685 237 1 1 . 1 1 62 62 SER N N 387 114.761 114.761 113.467 1.294 17685 238 1 1 . 1 1 62 62 SER HA H 387 4.577 4.577 4.452 0.125 17685 239 1 1 . 1 1 62 62 SER C C 387 173.645 173.645 174.811 -1.166 17685 240 1 1 . 1 1 62 62 SER CA C 387 59.694 59.694 60.125 -0.431 17685 241 1 1 . 1 1 62 62 SER CB C 387 64.588 64.588 64.334 0.254 17685 242 1 1 . 1 1 62 62 SER H H 387 7.755 7.755 7.810 -0.055 17685 243 1 1 . 1 1 63 63 LEU N N 388 121.610 121.610 122.799 -1.189 17685 244 1 1 . 1 1 63 63 LEU HA H 388 4.506 4.506 4.217 0.289 17685 245 1 1 . 1 1 63 63 LEU C C 388 177.071 177.071 175.907 1.164 17685 246 1 1 . 1 1 63 63 LEU CA C 388 54.490 54.490 55.158 -0.668 17685 247 1 1 . 1 1 63 63 LEU CB C 388 42.414 42.414 42.941 -0.527 17685 248 1 1 . 1 1 63 63 LEU H H 388 7.083 7.083 7.399 -0.316 17685 249 1 1 . 1 1 64 64 ASN N N 389 122.154 122.154 116.638 5.516 17685 250 1 1 . 1 1 64 64 ASN HA H 389 4.748 4.748 4.893 -0.145 17685 251 1 1 . 1 1 64 64 ASN C C 389 175.144 175.144 176.124 -0.980 17685 252 1 1 . 1 1 64 64 ASN CA C 389 51.898 51.898 51.850 0.048 17685 253 1 1 . 1 1 64 64 ASN CB C 389 37.762 37.762 41.566 -3.804 17685 254 1 1 . 1 1 64 64 ASN H H 389 9.587 9.587 7.844 1.743 17685 255 1 1 . 1 1 65 65 ASP N N 390 116.882 116.882 121.658 -4.776 17685 256 1 1 . 1 1 65 65 ASP HA H 390 4.288 4.288 4.263 0.025 17685 257 1 1 . 1 1 65 65 ASP C C 390 178.601 178.601 177.666 0.935 17685 258 1 1 . 1 1 65 65 ASP CA C 390 58.992 58.992 58.600 0.392 17685 259 1 1 . 1 1 65 65 ASP CB C 390 40.168 40.168 40.396 -0.228 17685 260 1 1 . 1 1 65 65 ASP H H 390 8.504 8.504 8.799 -0.295 17685 261 1 1 . 1 1 66 66 GLU N N 391 119.807 119.807 117.600 2.207 17685 262 1 1 . 1 1 66 66 GLU HA H 391 4.048 4.048 4.188 -0.140 17685 263 1 1 . 1 1 66 66 GLU C C 391 179.549 179.549 179.262 0.287 17685 264 1 1 . 1 1 66 66 GLU CA C 391 59.943 59.943 59.354 0.589 17685 265 1 1 . 1 1 66 66 GLU CB C 391 29.119 29.119 29.062 0.056 17685 266 1 1 . 1 1 66 66 GLU H H 391 8.318 8.318 8.844 -0.526 17685 267 1 1 . 1 1 67 67 GLU N N 392 121.747 121.747 121.133 0.614 17685 268 1 1 . 1 1 67 67 GLU HA H 392 4.151 4.151 4.164 -0.013 17685 269 1 1 . 1 1 67 67 GLU C C 392 180.544 180.544 179.088 1.456 17685 270 1 1 . 1 1 67 67 GLU CA C 392 58.307 58.307 59.206 -0.899 17685 271 1 1 . 1 1 67 67 GLU CB C 392 30.933 30.933 29.002 1.931 17685 272 1 1 . 1 1 67 67 GLU H H 392 8.709 8.709 7.599 1.110 17685 273 1 1 . 1 1 68 68 LEU N N 393 123.523 123.523 121.018 2.505 17685 274 1 1 . 1 1 68 68 LEU HA H 393 3.923 3.923 4.071 -0.148 17685 275 1 1 . 1 1 68 68 LEU C C 393 178.151 178.151 179.223 -1.072 17685 276 1 1 . 1 1 68 68 LEU CA C 393 58.642 58.642 57.864 0.778 17685 277 1 1 . 1 1 68 68 LEU CB C 393 42.304 42.304 41.462 0.843 17685 278 1 1 . 1 1 68 68 LEU H H 393 8.930 8.930 8.556 0.374 17685 279 1 1 . 1 1 69 69 VAL N N 394 118.071 118.071 118.877 -0.806 17685 280 1 1 . 1 1 69 69 VAL HA H 394 3.527 3.527 3.664 -0.137 17685 281 1 1 . 1 1 69 69 VAL C C 394 177.701 177.701 177.735 -0.034 17685 282 1 1 . 1 1 69 69 VAL CA C 394 66.494 66.494 65.588 0.906 17685 283 1 1 . 1 1 69 69 VAL CB C 394 32.103 32.103 31.154 0.949 17685 284 1 1 . 1 1 69 69 VAL H H 394 7.304 7.304 7.748 -0.444 17685 285 1 1 . 1 1 70 70 SER N N 395 112.686 112.686 115.730 -3.044 17685 286 1 1 . 1 1 70 70 SER HA H 395 4.238 4.238 4.152 0.086 17685 287 1 1 . 1 1 70 70 SER C C 395 177.618 177.618 176.805 0.813 17685 288 1 1 . 1 1 70 70 SER CA C 395 61.410 61.410 62.592 -1.182 17685 289 1 1 . 1 1 70 70 SER CB C 395 63.002 63.002 63.022 -0.020 17685 290 1 1 . 1 1 70 70 SER H H 395 7.906 7.906 8.172 -0.266 17685 291 1 1 . 1 1 71 71 THR N N 396 118.003 118.003 114.378 3.625 17685 292 1 1 . 1 1 71 71 THR HA H 396 3.767 3.767 4.083 -0.316 17685 293 1 1 . 1 1 71 71 THR C C 396 175.404 175.404 176.359 -0.955 17685 294 1 1 . 1 1 71 71 THR CA C 396 67.763 67.763 65.233 2.530 17685 295 1 1 . 1 1 71 71 THR CB C 396 68.498 68.498 68.850 -0.352 17685 296 1 1 . 1 1 71 71 THR H H 396 8.511 8.511 7.995 0.516 17685 297 1 1 . 1 1 72 72 ALA N N 397 123.373 123.373 125.272 -1.899 17685 298 1 1 . 1 1 72 72 ALA HA H 397 3.857 3.857 3.890 -0.033 17685 299 1 1 . 1 1 72 72 ALA C C 397 180.173 180.173 178.983 1.190 17685 300 1 1 . 1 1 72 72 ALA CA C 397 56.079 56.079 55.169 0.910 17685 301 1 1 . 1 1 72 72 ALA CB C 397 17.767 17.767 18.192 -0.425 17685 302 1 1 . 1 1 72 72 ALA H H 397 8.268 8.268 8.154 0.114 17685 303 1 1 . 1 1 73 73 ASP N N 398 118.963 118.963 117.645 1.318 17685 304 1 1 . 1 1 73 73 ASP HA H 398 4.382 4.382 4.234 0.148 17685 305 1 1 . 1 1 73 73 ASP C C 398 179.471 179.471 178.557 0.914 17685 306 1 1 . 1 1 73 73 ASP CA C 398 57.692 57.692 57.648 0.044 17685 307 1 1 . 1 1 73 73 ASP CB C 398 40.015 40.015 40.804 -0.789 17685 308 1 1 . 1 1 73 73 ASP H H 398 8.585 8.585 8.369 0.216 17685 309 1 1 . 1 1 74 74 LYS N N 399 120.591 120.591 118.247 2.344 17685 310 1 1 . 1 1 74 74 LYS HA H 399 4.050 4.050 4.066 -0.016 17685 311 1 1 . 1 1 74 74 LYS C C 399 180.082 180.082 179.009 1.073 17685 312 1 1 . 1 1 74 74 LYS CA C 399 60.001 60.001 58.974 1.027 17685 313 1 1 . 1 1 74 74 LYS CB C 399 34.080 34.080 32.418 1.662 17685 314 1 1 . 1 1 74 74 LYS H H 399 8.003 8.003 7.344 0.659 17685 315 1 1 . 1 1 75 75 ILE N N 400 120.602 120.602 119.917 0.685 17685 316 1 1 . 1 1 75 75 ILE HA H 400 3.687 3.687 3.774 -0.087 17685 317 1 1 . 1 1 75 75 ILE C C 400 177.770 177.770 177.871 -0.101 17685 318 1 1 . 1 1 75 75 ILE CA C 400 64.860 64.860 64.803 0.057 17685 319 1 1 . 1 1 75 75 ILE CB C 400 38.253 38.253 37.891 0.362 17685 320 1 1 . 1 1 75 75 ILE H H 400 7.877 7.877 7.910 -0.033 17685 321 1 1 . 1 1 76 76 LYS N N 401 120.036 120.036 118.455 1.581 17685 322 1 1 . 1 1 76 76 LYS HA H 401 4.032 4.032 4.136 -0.104 17685 323 1 1 . 1 1 76 76 LYS C C 401 178.423 178.423 178.514 -0.091 17685 324 1 1 . 1 1 76 76 LYS CA C 401 58.735 58.735 58.163 0.572 17685 325 1 1 . 1 1 76 76 LYS CB C 401 32.325 32.325 31.549 0.776 17685 326 1 1 . 1 1 76 76 LYS H H 401 8.260 8.260 7.829 0.431 17685 327 1 1 . 1 1 77 77 ALA N N 402 118.655 118.655 120.882 -2.227 17685 328 1 1 . 1 1 77 77 ALA HA H 402 4.205 4.205 4.259 -0.054 17685 329 1 1 . 1 1 77 77 ALA C C 402 177.949 177.949 178.116 -0.167 17685 330 1 1 . 1 1 77 77 ALA CA C 402 53.673 53.673 53.581 0.092 17685 331 1 1 . 1 1 77 77 ALA CB C 402 19.018 19.018 19.265 -0.247 17685 332 1 1 . 1 1 77 77 ALA H H 402 7.564 7.564 7.405 0.159 17685 333 1 1 . 1 1 78 78 ASN N N 403 113.964 113.964 117.108 -3.144 17685 334 1 1 . 1 1 78 78 ASN HA H 403 4.841 4.841 4.822 0.019 17685 335 1 1 . 1 1 78 78 ASN C C 403 174.866 174.866 175.158 -0.292 17685 336 1 1 . 1 1 78 78 ASN CA C 403 52.485 52.485 52.781 -0.296 17685 337 1 1 . 1 1 78 78 ASN CB C 403 37.659 37.659 39.201 -1.542 17685 338 1 1 . 1 1 78 78 ASN H H 403 7.397 7.397 7.653 -0.256 17685 339 1 1 . 1 1 79 79 ALA N N 404 131.057 131.057 126.567 4.490 17685 340 1 1 . 1 1 79 79 ALA HA H 404 4.160 4.160 4.371 -0.211 17685 341 1 1 . 1 1 79 79 ALA C C 404 180.575 180.575 178.636 1.939 17685 342 1 1 . 1 1 79 79 ALA CA C 404 56.271 56.271 54.478 1.793 17685 343 1 1 . 1 1 79 79 ALA CB C 404 18.357 18.357 19.015 -0.658 17685 344 1 1 . 1 1 79 79 ALA H H 404 9.143 9.143 8.510 0.633 17685 345 1 1 . 1 1 80 80 ALA N N 405 117.862 117.862 118.996 -1.134 17685 346 1 1 . 1 1 80 80 ALA HA H 405 4.362 4.362 4.286 0.076 17685 347 1 1 . 1 1 80 80 ALA C C 405 179.218 179.218 177.958 1.260 17685 348 1 1 . 1 1 80 80 ALA CA C 405 53.931 53.931 53.096 0.835 17685 349 1 1 . 1 1 80 80 ALA CB C 405 18.226 18.226 19.206 -0.980 17685 350 1 1 . 1 1 80 80 ALA H H 405 8.315 8.315 7.982 0.333 17685 351 1 1 . 1 1 81 81 GLY N N 406 106.895 106.895 105.932 0.963 17685 352 1 1 . 1 1 81 81 GLY C C 406 175.175 175.175 174.428 0.747 17685 353 1 1 . 1 1 81 81 GLY CA C 406 45.363 45.363 44.491 0.872 17685 354 1 1 . 1 1 81 81 GLY H H 406 7.908 7.908 7.613 0.295 17685 355 1 1 . 1 1 82 82 ALA N N 407 120.775 120.775 124.660 -3.885 17685 356 1 1 . 1 1 82 82 ALA HA H 407 3.971 3.971 4.021 -0.050 17685 357 1 1 . 1 1 82 82 ALA C C 407 177.879 177.879 178.605 -0.726 17685 358 1 1 . 1 1 82 82 ALA CA C 407 56.076 56.076 55.225 0.851 17685 359 1 1 . 1 1 82 82 ALA CB C 407 19.120 19.120 18.882 0.238 17685 360 1 1 . 1 1 82 82 ALA H H 407 7.574 7.574 7.549 0.025 17685 361 1 1 . 1 1 83 83 LYS N N 408 117.628 117.628 119.033 -1.405 17685 362 1 1 . 1 1 83 83 LYS HA H 408 3.352 3.352 3.922 -0.570 17685 363 1 1 . 1 1 83 83 LYS C C 408 178.064 178.064 178.261 -0.197 17685 364 1 1 . 1 1 83 83 LYS CA C 408 61.404 61.404 59.312 2.092 17685 365 1 1 . 1 1 83 83 LYS CB C 408 31.311 31.311 31.618 -0.307 17685 366 1 1 . 1 1 83 83 LYS H H 408 8.755 8.755 8.205 0.550 17685 367 1 1 . 1 1 84 84 GLU N N 409 116.005 116.005 118.268 -2.263 17685 368 1 1 . 1 1 84 84 GLU HA H 409 3.994 3.994 4.008 -0.014 17685 369 1 1 . 1 1 84 84 GLU C C 409 179.508 179.508 179.051 0.457 17685 370 1 1 . 1 1 84 84 GLU CA C 409 59.300 59.300 59.311 -0.011 17685 371 1 1 . 1 1 84 84 GLU CB C 409 28.978 28.978 29.146 -0.168 17685 372 1 1 . 1 1 84 84 GLU H H 409 7.708 7.708 8.131 -0.423 17685 373 1 1 . 1 1 85 85 VAL N N 410 120.216 120.216 120.235 -0.019 17685 374 1 1 . 1 1 85 85 VAL HA H 410 3.786 3.786 3.805 -0.019 17685 375 1 1 . 1 1 85 85 VAL C C 410 179.087 179.087 177.991 1.096 17685 376 1 1 . 1 1 85 85 VAL CA C 410 66.066 66.066 65.858 0.208 17685 377 1 1 . 1 1 85 85 VAL CB C 410 32.060 32.060 31.697 0.363 17685 378 1 1 . 1 1 85 85 VAL H H 410 7.494 7.494 7.633 -0.139 17685 379 1 1 . 1 1 86 86 LEU N N 411 121.293 121.293 121.064 0.229 17685 380 1 1 . 1 1 86 86 LEU HA H 411 3.871 3.871 3.715 0.156 17685 381 1 1 . 1 1 86 86 LEU C C 411 178.844 178.844 178.745 0.099 17685 382 1 1 . 1 1 86 86 LEU CA C 411 58.100 58.100 58.644 -0.544 17685 383 1 1 . 1 1 86 86 LEU CB C 411 42.047 42.047 40.678 1.369 17685 384 1 1 . 1 1 86 86 LEU H H 411 8.371 8.371 7.983 0.388 17685 385 1 1 . 1 1 87 87 LYS N N 412 119.536 119.536 118.062 1.474 17685 386 1 1 . 1 1 87 87 LYS HA H 412 4.206 4.206 3.931 0.275 17685 387 1 1 . 1 1 87 87 LYS C C 412 179.347 179.347 178.758 0.589 17685 388 1 1 . 1 1 87 87 LYS CA C 412 60.924 60.924 60.179 0.744 17685 389 1 1 . 1 1 87 87 LYS CB C 412 32.216 32.216 32.027 0.189 17685 390 1 1 . 1 1 87 87 LYS H H 412 8.818 8.818 8.703 0.115 17685 391 1 1 . 1 1 88 88 GLU N N 413 120.780 120.780 120.577 0.203 17685 392 1 1 . 1 1 88 88 GLU HA H 413 4.127 4.127 4.070 0.057 17685 393 1 1 . 1 1 88 88 GLU C C 413 179.469 179.469 178.977 0.492 17685 394 1 1 . 1 1 88 88 GLU CA C 413 59.720 59.720 59.496 0.224 17685 395 1 1 . 1 1 88 88 GLU CB C 413 29.021 29.021 29.407 -0.386 17685 396 1 1 . 1 1 88 88 GLU H H 413 7.882 7.882 7.647 0.235 17685 397 1 1 . 1 1 89 89 SER N N 414 116.823 116.823 117.035 -0.212 17685 398 1 1 . 1 1 89 89 SER HA H 414 3.765 3.765 4.068 -0.303 17685 399 1 1 . 1 1 89 89 SER C C 414 176.091 176.091 176.631 -0.540 17685 400 1 1 . 1 1 89 89 SER CA C 414 63.550 63.550 62.068 1.482 17685 401 1 1 . 1 1 89 89 SER CB C 414 63.718 63.718 62.644 1.074 17685 402 1 1 . 1 1 89 89 SER H H 414 8.296 8.296 8.406 -0.110 17685 403 1 1 . 1 1 90 90 ALA N N 415 123.230 123.230 124.942 -1.712 17685 404 1 1 . 1 1 90 90 ALA HA H 415 3.831 3.831 3.820 0.011 17685 405 1 1 . 1 1 90 90 ALA C C 415 177.963 177.963 179.035 -1.072 17685 406 1 1 . 1 1 90 90 ALA CA C 415 55.415 55.415 55.524 -0.109 17685 407 1 1 . 1 1 90 90 ALA CB C 415 19.432 19.432 18.169 1.263 17685 408 1 1 . 1 1 90 90 ALA H H 415 8.805 8.805 8.349 0.456 17685 409 1 1 . 1 1 91 91 LYS N N 416 117.753 117.753 118.231 -0.478 17685 410 1 1 . 1 1 91 91 LYS HA H 416 3.972 3.972 4.109 -0.137 17685 411 1 1 . 1 1 91 91 LYS C C 416 178.198 178.198 179.168 -0.970 17685 412 1 1 . 1 1 91 91 LYS CA C 416 59.817 59.817 58.876 0.941 17685 413 1 1 . 1 1 91 91 LYS CB C 416 32.247 32.247 32.124 0.123 17685 414 1 1 . 1 1 91 91 LYS H H 416 8.085 8.085 8.017 0.068 17685 415 1 1 . 1 1 92 92 THR N N 417 114.597 114.597 116.879 -2.282 17685 416 1 1 . 1 1 92 92 THR HA H 417 4.075 4.075 4.049 0.026 17685 417 1 1 . 1 1 92 92 THR C C 417 177.541 177.541 177.021 0.520 17685 418 1 1 . 1 1 92 92 THR CA C 417 66.473 66.473 66.865 -0.392 17685 419 1 1 . 1 1 92 92 THR CB C 417 69.070 69.070 68.477 0.593 17685 420 1 1 . 1 1 92 92 THR H H 417 7.923 7.923 7.936 -0.013 17685 421 1 1 . 1 1 93 93 ILE N N 418 124.160 124.160 122.375 1.785 17685 422 1 1 . 1 1 93 93 ILE HA H 418 3.662 3.662 3.813 -0.151 17685 423 1 1 . 1 1 93 93 ILE C C 418 178.114 178.114 177.932 0.182 17685 424 1 1 . 1 1 93 93 ILE CA C 418 65.626 65.626 65.309 0.316 17685 425 1 1 . 1 1 93 93 ILE CB C 418 38.297 38.297 37.798 0.499 17685 426 1 1 . 1 1 93 93 ILE H H 418 7.984 7.984 8.358 -0.374 17685 427 1 1 . 1 1 94 94 VAL N N 419 121.566 121.566 120.315 1.251 17685 428 1 1 . 1 1 94 94 VAL HA H 419 4.156 4.156 4.017 0.139 17685 429 1 1 . 1 1 94 94 VAL C C 419 181.424 181.424 178.634 2.790 17685 430 1 1 . 1 1 94 94 VAL CA C 419 65.808 65.808 65.695 0.112 17685 431 1 1 . 1 1 94 94 VAL CB C 419 31.892 31.892 30.893 0.999 17685 432 1 1 . 1 1 94 94 VAL H H 419 8.551 8.551 8.074 0.477 17685 433 1 1 . 1 1 95 95 ASP N N 420 123.788 123.788 120.006 3.782 17685 434 1 1 . 1 1 95 95 ASP HA H 420 4.477 4.477 4.436 0.041 17685 435 1 1 . 1 1 95 95 ASP C C 420 178.220 178.220 178.090 0.130 17685 436 1 1 . 1 1 95 95 ASP CA C 420 57.548 57.548 56.819 0.730 17685 437 1 1 . 1 1 95 95 ASP CB C 420 39.850 39.850 41.109 -1.259 17685 438 1 1 . 1 1 95 95 ASP H H 420 9.354 9.354 8.004 1.350 17685 439 1 1 . 1 1 96 96 SER N N 421 111.960 111.960 113.233 -1.273 17685 440 1 1 . 1 1 96 96 SER HA H 421 4.526 4.526 4.403 0.123 17685 441 1 1 . 1 1 96 96 SER C C 421 175.345 175.345 175.843 -0.498 17685 442 1 1 . 1 1 96 96 SER CA C 421 59.433 59.433 58.949 0.484 17685 443 1 1 . 1 1 96 96 SER CB C 421 64.264 64.264 64.867 -0.603 17685 444 1 1 . 1 1 96 96 SER H H 421 7.862 7.862 7.864 -0.002 17685 445 1 1 . 1 1 97 97 GLY N N 422 110.240 110.240 110.842 -0.602 17685 446 1 1 . 1 1 97 97 GLY C C 422 175.158 175.158 175.026 0.132 17685 447 1 1 . 1 1 97 97 GLY CA C 422 45.606 45.606 45.439 0.167 17685 448 1 1 . 1 1 97 97 GLY H H 422 8.063 8.063 7.632 0.431 17685 449 1 1 . 1 1 98 98 LYS N N 423 120.213 120.213 119.520 0.693 17685 450 1 1 . 1 1 98 98 LYS HA H 423 4.083 4.083 4.200 -0.117 17685 451 1 1 . 1 1 98 98 LYS C C 423 176.681 176.681 176.606 0.075 17685 452 1 1 . 1 1 98 98 LYS CA C 423 59.417 59.417 58.023 1.394 17685 453 1 1 . 1 1 98 98 LYS CB C 423 33.453 33.453 33.387 0.066 17685 454 1 1 . 1 1 98 98 LYS H H 423 7.992 7.992 8.244 -0.252 17685 455 1 1 . 1 1 99 99 LEU N N 424 114.357 114.357 120.117 -5.760 17685 456 1 1 . 1 1 99 99 LEU HA H 424 4.848 4.848 4.875 -0.027 17685 457 1 1 . 1 1 99 99 LEU C C 424 174.161 174.161 174.218 -0.057 17685 458 1 1 . 1 1 99 99 LEU CA C 424 52.225 52.225 51.518 0.707 17685 459 1 1 . 1 1 99 99 LEU CB C 424 46.075 46.075 43.781 2.294 17685 460 1 1 . 1 1 99 99 LEU H H 424 6.865 6.865 7.441 -0.576 17685 461 1 1 . 1 1 100 100 PRO HA H 425 4.650 4.650 4.643 0.007 17685 462 1 1 . 1 1 100 100 PRO C C 425 177.559 177.559 178.142 -0.583 17685 463 1 1 . 1 1 100 100 PRO CA C 425 61.643 61.643 62.675 -1.032 17685 464 1 1 . 1 1 100 100 PRO CB C 425 32.422 32.422 32.396 0.026 17685 465 1 1 . 1 1 101 101 SER N N 426 117.043 117.043 118.540 -1.497 17685 466 1 1 . 1 1 101 101 SER HA H 426 3.824 3.824 4.040 -0.216 17685 467 1 1 . 1 1 101 101 SER C C 426 177.202 177.202 175.955 1.247 17685 468 1 1 . 1 1 101 101 SER CA C 426 61.708 61.708 61.432 0.276 17685 469 1 1 . 1 1 101 101 SER CB C 426 62.706 62.706 62.593 0.113 17685 470 1 1 . 1 1 101 101 SER H H 426 8.999 8.999 8.675 0.324 17685 471 1 1 . 1 1 102 102 SER N N 427 114.761 114.761 117.173 -2.412 17685 472 1 1 . 1 1 102 102 SER HA H 427 4.112 4.112 4.277 -0.165 17685 473 1 1 . 1 1 102 102 SER C C 427 176.526 176.526 175.924 0.602 17685 474 1 1 . 1 1 102 102 SER CA C 427 60.650 60.650 61.587 -0.937 17685 475 1 1 . 1 1 102 102 SER CB C 427 62.213 62.213 62.932 -0.719 17685 476 1 1 . 1 1 102 102 SER H H 427 8.115 8.115 8.208 -0.093 17685 477 1 1 . 1 1 103 103 LEU N N 428 120.408 120.408 118.347 2.061 17685 478 1 1 . 1 1 103 103 LEU HA H 428 4.435 4.435 4.292 0.143 17685 479 1 1 . 1 1 103 103 LEU C C 428 176.698 176.698 176.760 -0.062 17685 480 1 1 . 1 1 103 103 LEU CA C 428 55.847 55.847 55.998 -0.151 17685 481 1 1 . 1 1 103 103 LEU CB C 428 42.586 42.586 41.620 0.966 17685 482 1 1 . 1 1 103 103 LEU H H 428 7.320 7.320 7.796 -0.476 17685 483 1 1 . 1 1 104 104 LEU N N 429 117.860 117.860 115.671 2.189 17685 484 1 1 . 1 1 104 104 LEU HA H 429 4.995 4.995 4.763 0.232 17685 485 1 1 . 1 1 104 104 LEU C C 429 178.320 178.320 177.351 0.969 17685 486 1 1 . 1 1 104 104 LEU CA C 429 52.672 52.672 53.573 -0.901 17685 487 1 1 . 1 1 104 104 LEU CB C 429 43.039 43.039 41.407 1.632 17685 488 1 1 . 1 1 104 104 LEU H H 429 7.325 7.325 7.459 -0.134 17685 489 1 1 . 1 1 105 105 SER N N 430 112.664 112.664 116.278 -3.614 17685 490 1 1 . 1 1 105 105 SER HA H 430 4.259 4.259 4.278 -0.019 17685 491 1 1 . 1 1 105 105 SER C C 430 175.288 175.288 174.918 0.370 17685 492 1 1 . 1 1 105 105 SER CA C 430 61.247 61.247 61.165 0.082 17685 493 1 1 . 1 1 105 105 SER CB C 430 64.058 64.058 63.176 0.882 17685 494 1 1 . 1 1 105 105 SER H H 430 6.990 6.990 7.733 -0.743 17685 495 1 1 . 1 1 106 106 TYR N N 431 125.624 125.624 122.105 3.519 17685 496 1 1 . 1 1 106 106 TYR HA H 431 4.060 4.060 4.261 -0.201 17685 497 1 1 . 1 1 106 106 TYR C C 431 176.064 176.064 175.443 0.621 17685 498 1 1 . 1 1 106 106 TYR CA C 431 61.449 61.449 60.125 1.324 17685 499 1 1 . 1 1 106 106 TYR CB C 431 38.282 38.282 38.837 -0.555 17685 500 1 1 . 1 1 106 106 TYR H H 431 10.433 10.433 7.978 2.455 17685 501 1 1 . 1 1 107 107 PHE N N 432 113.203 113.203 114.972 -1.769 17685 502 1 1 . 1 1 107 107 PHE HA H 432 4.314 4.314 4.249 0.065 17685 503 1 1 . 1 1 107 107 PHE C C 432 173.901 173.901 176.089 -2.188 17685 504 1 1 . 1 1 107 107 PHE CA C 432 59.810 59.810 60.544 -0.734 17685 505 1 1 . 1 1 107 107 PHE CB C 432 43.249 43.249 40.142 3.107 17685 506 1 1 . 1 1 107 107 PHE H H 432 7.955 7.955 7.556 0.399 17685 507 1 2 . 1 1 22 22 SER N N 347 116.741 116.741 116.916 -0.175 17685 508 1 2 . 1 1 22 22 SER HA H 347 4.355 4.355 4.639 -0.284 17685 509 1 2 . 1 1 22 22 SER C C 347 176.272 176.272 174.784 1.488 17685 510 1 2 . 1 1 22 22 SER CA C 347 59.651 59.651 57.864 1.788 17685 511 1 2 . 1 1 22 22 SER CB C 347 63.231 63.231 65.193 -1.962 17685 512 1 2 . 1 1 22 22 SER H H 347 8.311 8.311 8.280 0.031 17685 513 1 2 . 1 1 23 23 LYS N N 348 124.398 124.398 123.610 0.788 17685 514 1 2 . 1 1 23 23 LYS HA H 348 4.142 4.142 4.186 -0.044 17685 515 1 2 . 1 1 23 23 LYS C C 348 178.743 178.743 177.939 0.804 17685 516 1 2 . 1 1 23 23 LYS CA C 348 59.304 59.304 58.220 1.084 17685 517 1 2 . 1 1 23 23 LYS CB C 348 32.301 32.301 32.540 -0.239 17685 518 1 2 . 1 1 23 23 LYS H H 348 8.611 8.611 8.500 0.111 17685 519 1 2 . 1 1 24 24 ALA N N 349 122.494 122.494 122.859 -0.365 17685 520 1 2 . 1 1 24 24 ALA HA H 349 4.137 4.137 4.210 -0.073 17685 521 1 2 . 1 1 24 24 ALA C C 349 179.869 179.869 179.661 0.208 17685 522 1 2 . 1 1 24 24 ALA CA C 349 54.811 54.811 54.490 0.321 17685 523 1 2 . 1 1 24 24 ALA CB C 349 18.284 18.284 17.856 0.428 17685 524 1 2 . 1 1 24 24 ALA H H 349 8.245 8.245 8.428 -0.183 17685 525 1 2 . 1 1 25 25 ALA N N 350 121.576 121.576 121.942 -0.366 17685 526 1 2 . 1 1 25 25 ALA HA H 350 4.136 4.136 4.132 0.004 17685 527 1 2 . 1 1 25 25 ALA C C 350 178.743 178.743 179.734 -0.991 17685 528 1 2 . 1 1 25 25 ALA CA C 350 54.632 54.632 54.869 -0.237 17685 529 1 2 . 1 1 25 25 ALA CB C 350 18.299 18.299 18.319 -0.020 17685 530 1 2 . 1 1 25 25 ALA H H 350 8.014 8.014 8.235 -0.221 17685 531 1 2 . 1 1 26 26 LYS N N 351 119.618 119.618 118.857 0.761 17685 532 1 2 . 1 1 26 26 LYS HA H 351 4.196 4.196 4.283 -0.087 17685 533 1 2 . 1 1 26 26 LYS C C 351 178.485 178.485 179.230 -0.745 17685 534 1 2 . 1 1 26 26 LYS CA C 351 60.014 60.014 59.261 0.753 17685 535 1 2 . 1 1 26 26 LYS CB C 351 32.511 32.511 32.314 0.197 17685 536 1 2 . 1 1 26 26 LYS H H 351 7.831 7.831 7.921 -0.090 17685 537 1 2 . 1 1 27 27 LYS N N 352 118.080 118.080 119.554 -1.474 17685 538 1 2 . 1 1 27 27 LYS HA H 352 3.958 3.958 4.009 -0.051 17685 539 1 2 . 1 1 27 27 LYS C C 352 179.564 179.564 178.821 0.743 17685 540 1 2 . 1 1 27 27 LYS CA C 352 60.092 60.092 59.642 0.450 17685 541 1 2 . 1 1 27 27 LYS CB C 352 32.550 32.550 32.385 0.165 17685 542 1 2 . 1 1 27 27 LYS H H 352 7.905 7.905 7.831 0.074 17685 543 1 2 . 1 1 28 28 LYS N N 353 119.878 119.878 119.721 0.157 17685 544 1 2 . 1 1 28 28 LYS HA H 353 4.023 4.023 4.020 0.003 17685 545 1 2 . 1 1 28 28 LYS C C 353 179.270 179.270 178.589 0.681 17685 546 1 2 . 1 1 28 28 LYS CA C 353 59.806 59.806 59.187 0.619 17685 547 1 2 . 1 1 28 28 LYS CB C 353 32.324 32.324 32.151 0.173 17685 548 1 2 . 1 1 28 28 LYS H H 353 7.934 7.934 7.908 0.026 17685 549 1 2 . 1 1 29 29 ASN N N 354 119.780 119.780 117.962 1.818 17685 550 1 2 . 1 1 29 29 ASN HA H 354 4.557 4.557 4.361 0.196 17685 551 1 2 . 1 1 29 29 ASN C C 354 177.395 177.395 177.344 0.051 17685 552 1 2 . 1 1 29 29 ASN CA C 354 56.167 56.167 56.395 -0.228 17685 553 1 2 . 1 1 29 29 ASN CB C 354 37.928 37.928 38.344 -0.416 17685 554 1 2 . 1 1 29 29 ASN H H 354 8.524 8.524 8.560 -0.036 17685 555 1 2 . 1 1 30 30 LYS N N 355 118.850 118.850 119.308 -0.458 17685 556 1 2 . 1 1 30 30 LYS HA H 355 3.820 3.820 3.948 -0.128 17685 557 1 2 . 1 1 30 30 LYS C C 355 178.266 178.266 178.703 -0.437 17685 558 1 2 . 1 1 30 30 LYS CA C 355 61.698 61.698 59.502 2.196 17685 559 1 2 . 1 1 30 30 LYS CB C 355 33.000 33.000 31.958 1.042 17685 560 1 2 . 1 1 30 30 LYS H H 355 8.599 8.599 7.672 0.927 17685 561 1 2 . 1 1 31 31 ARG N N 356 118.226 118.226 119.811 -1.585 17685 562 1 2 . 1 1 31 31 ARG HA H 356 3.940 3.940 4.034 -0.094 17685 563 1 2 . 1 1 31 31 ARG C C 356 177.676 177.676 177.966 -0.290 17685 564 1 2 . 1 1 31 31 ARG CA C 356 59.316 59.316 58.989 0.327 17685 565 1 2 . 1 1 31 31 ARG CB C 356 30.266 30.266 30.037 0.229 17685 566 1 2 . 1 1 31 31 ARG H H 356 7.809 7.809 7.675 0.134 17685 567 1 2 . 1 1 32 32 ALA N N 357 120.780 120.780 122.903 -2.123 17685 568 1 2 . 1 1 32 32 ALA HA H 357 4.104 4.104 4.063 0.041 17685 569 1 2 . 1 1 32 32 ALA C C 357 181.157 181.157 179.913 1.244 17685 570 1 2 . 1 1 32 32 ALA CA C 357 55.118 55.118 55.043 0.075 17685 571 1 2 . 1 1 32 32 ALA CB C 357 18.064 18.064 18.257 -0.193 17685 572 1 2 . 1 1 32 32 ALA H H 357 8.155 8.155 8.169 -0.014 17685 573 1 2 . 1 1 33 33 ILE N N 358 116.468 116.468 117.357 -0.889 17685 574 1 2 . 1 1 33 33 ILE HA H 358 3.590 3.590 3.727 -0.137 17685 575 1 2 . 1 1 33 33 ILE C C 358 179.458 179.458 178.011 1.447 17685 576 1 2 . 1 1 33 33 ILE CA C 358 65.775 65.775 63.039 2.736 17685 577 1 2 . 1 1 33 33 ILE CB C 358 38.592 38.592 36.628 1.964 17685 578 1 2 . 1 1 33 33 ILE H H 358 7.929 7.929 8.231 -0.302 17685 579 1 2 . 1 1 34 34 ARG N N 359 119.937 119.937 120.059 -0.122 17685 580 1 2 . 1 1 34 34 ARG HA H 359 3.998 3.998 4.020 -0.022 17685 581 1 2 . 1 1 34 34 ARG C C 359 179.124 179.124 179.101 0.023 17685 582 1 2 . 1 1 34 34 ARG CA C 359 60.029 60.029 59.679 0.350 17685 583 1 2 . 1 1 34 34 ARG CB C 359 30.576 30.576 29.764 0.812 17685 584 1 2 . 1 1 34 34 ARG H H 359 8.672 8.672 7.531 1.141 17685 585 1 2 . 1 1 35 35 ASN N N 360 116.359 116.359 118.231 -1.872 17685 586 1 2 . 1 1 35 35 ASN HA H 360 4.575 4.575 4.481 0.094 17685 587 1 2 . 1 1 35 35 ASN C C 360 175.723 175.723 176.820 -1.097 17685 588 1 2 . 1 1 35 35 ASN CA C 360 54.215 54.215 55.243 -1.028 17685 589 1 2 . 1 1 35 35 ASN CB C 360 38.575 38.575 37.667 0.908 17685 590 1 2 . 1 1 35 35 ASN H H 360 8.454 8.454 8.337 0.117 17685 591 1 2 . 1 1 36 36 SER N N 361 115.734 115.734 116.921 -1.187 17685 592 1 2 . 1 1 36 36 SER HA H 361 3.995 3.995 4.048 -0.053 17685 593 1 2 . 1 1 36 36 SER C C 361 176.129 176.129 176.006 0.123 17685 594 1 2 . 1 1 36 36 SER CA C 361 62.349 62.349 62.319 0.030 17685 595 1 2 . 1 1 36 36 SER CB C 361 63.664 63.664 62.738 0.926 17685 596 1 2 . 1 1 36 36 SER H H 361 7.617 7.617 7.825 -0.208 17685 597 1 2 . 1 1 37 37 ALA N N 362 124.421 124.421 123.548 0.873 17685 598 1 2 . 1 1 37 37 ALA HA H 362 3.770 3.770 3.671 0.099 17685 599 1 2 . 1 1 37 37 ALA C C 362 178.482 178.482 177.843 0.639 17685 600 1 2 . 1 1 37 37 ALA CA C 362 54.821 54.821 54.098 0.723 17685 601 1 2 . 1 1 37 37 ALA CB C 362 18.347 18.347 18.073 0.274 17685 602 1 2 . 1 1 37 37 ALA H H 362 6.868 6.868 7.548 -0.680 17685 603 1 2 . 1 1 38 38 LYS N N 363 122.319 122.319 116.482 5.837 17685 604 1 2 . 1 1 38 38 LYS HA H 363 2.913 2.913 4.003 -1.090 17685 605 1 2 . 1 1 38 38 LYS C C 363 180.669 180.669 179.210 1.459 17685 606 1 2 . 1 1 38 38 LYS CA C 363 59.567 59.567 58.784 0.783 17685 607 1 2 . 1 1 38 38 LYS CB C 363 31.563 31.563 32.453 -0.890 17685 608 1 2 . 1 1 38 38 LYS H H 363 8.317 8.317 7.228 1.089 17685 609 1 2 . 1 1 39 39 GLU N N 364 118.666 118.666 117.893 0.773 17685 610 1 2 . 1 1 39 39 GLU HA H 364 4.015 4.015 4.189 -0.174 17685 611 1 2 . 1 1 39 39 GLU C C 364 176.609 176.609 178.153 -1.544 17685 612 1 2 . 1 1 39 39 GLU CA C 364 58.674 58.674 58.396 0.278 17685 613 1 2 . 1 1 39 39 GLU CB C 364 29.058 29.058 29.700 -0.642 17685 614 1 2 . 1 1 39 39 GLU H H 364 7.935 7.935 8.341 -0.406 17685 615 1 2 . 1 1 40 40 ALA N N 365 121.145 121.145 119.894 1.251 17685 616 1 2 . 1 1 40 40 ALA HA H 365 4.663 4.663 4.523 0.140 17685 617 1 2 . 1 1 40 40 ALA C C 365 177.688 177.688 175.749 1.939 17685 618 1 2 . 1 1 40 40 ALA CA C 365 50.931 50.931 50.901 0.030 17685 619 1 2 . 1 1 40 40 ALA CB C 365 18.566 18.566 19.909 -1.343 17685 620 1 2 . 1 1 40 40 ALA H H 365 7.049 7.049 7.797 -0.748 17685 621 1 2 . 1 1 41 41 ASP N N 366 121.103 121.103 117.157 3.946 17685 622 1 2 . 1 1 41 41 ASP HA H 366 4.338 4.338 4.226 0.112 17685 623 1 2 . 1 1 41 41 ASP C C 366 175.644 175.644 174.778 0.866 17685 624 1 2 . 1 1 41 41 ASP CA C 366 55.898 55.898 54.635 1.264 17685 625 1 2 . 1 1 41 41 ASP CB C 366 39.353 39.353 40.760 -1.407 17685 626 1 2 . 1 1 41 41 ASP H H 366 8.099 8.099 7.254 0.845 17685 627 1 2 . 1 1 42 42 TYR N N 367 110.700 110.700 120.249 -9.549 17685 628 1 2 . 1 1 42 42 TYR HA H 367 2.485 2.485 3.985 -1.500 17685 629 1 2 . 1 1 42 42 TYR C C 367 174.307 174.307 176.303 -1.996 17685 630 1 2 . 1 1 42 42 TYR CA C 367 61.064 61.064 58.436 2.628 17685 631 1 2 . 1 1 42 42 TYR CB C 367 34.242 34.242 38.177 -3.935 17685 632 1 2 . 1 1 42 42 TYR H H 367 8.364 8.364 8.855 -0.491 17685 633 1 2 . 1 1 43 43 PHE N N 368 111.305 111.305 115.677 -4.372 17685 634 1 2 . 1 1 43 43 PHE HA H 368 4.666 4.666 4.207 0.459 17685 635 1 2 . 1 1 43 43 PHE C C 368 177.162 177.162 175.894 1.268 17685 636 1 2 . 1 1 43 43 PHE CA C 368 56.561 56.561 59.139 -2.578 17685 637 1 2 . 1 1 43 43 PHE CB C 368 36.514 36.514 35.761 0.753 17685 638 1 2 . 1 1 43 43 PHE H H 368 7.666 7.666 8.048 -0.382 17685 639 1 2 . 1 1 44 44 GLY N N 369 106.300 106.300 105.539 0.761 17685 640 1 2 . 1 1 44 44 GLY C C 369 174.446 174.446 174.590 -0.144 17685 641 1 2 . 1 1 44 44 GLY CA C 369 45.780 45.780 45.122 0.658 17685 642 1 2 . 1 1 44 44 GLY H H 369 7.671 7.671 8.158 -0.487 17685 643 1 2 . 1 1 45 45 ASP N N 370 122.876 122.876 120.606 2.270 17685 644 1 2 . 1 1 45 45 ASP HA H 370 5.323 5.323 4.876 0.447 17685 645 1 2 . 1 1 45 45 ASP C C 370 176.360 176.360 176.372 -0.012 17685 646 1 2 . 1 1 45 45 ASP CA C 370 53.322 53.322 53.690 -0.368 17685 647 1 2 . 1 1 45 45 ASP CB C 370 41.391 41.391 41.682 -0.291 17685 648 1 2 . 1 1 45 45 ASP H H 370 8.331 8.331 8.063 0.268 17685 649 1 2 . 1 1 46 46 ALA N N 371 121.771 121.771 123.183 -1.412 17685 650 1 2 . 1 1 46 46 ALA HA H 371 3.600 3.600 3.817 -0.217 17685 651 1 2 . 1 1 46 46 ALA C C 371 179.111 179.111 178.545 0.566 17685 652 1 2 . 1 1 46 46 ALA CA C 371 56.038 56.038 54.811 1.227 17685 653 1 2 . 1 1 46 46 ALA CB C 371 17.942 17.942 18.565 -0.623 17685 654 1 2 . 1 1 46 46 ALA H H 371 8.282 8.282 8.387 -0.105 17685 655 1 2 . 1 1 47 47 ASP N N 372 116.273 116.273 116.948 -0.675 17685 656 1 2 . 1 1 47 47 ASP HA H 372 4.359 4.359 4.463 -0.104 17685 657 1 2 . 1 1 47 47 ASP C C 372 177.019 177.019 177.170 -0.151 17685 658 1 2 . 1 1 47 47 ASP CA C 372 55.832 55.832 56.359 -0.527 17685 659 1 2 . 1 1 47 47 ASP CB C 372 39.190 39.190 40.755 -1.565 17685 660 1 2 . 1 1 47 47 ASP H H 372 9.068 9.068 8.463 0.605 17685 661 1 2 . 1 1 48 48 LYS N N 373 120.180 120.180 118.774 1.406 17685 662 1 2 . 1 1 48 48 LYS HA H 373 4.723 4.723 4.462 0.261 17685 663 1 2 . 1 1 48 48 LYS C C 373 175.542 175.542 176.159 -0.617 17685 664 1 2 . 1 1 48 48 LYS CA C 373 54.787 54.787 54.856 -0.069 17685 665 1 2 . 1 1 48 48 LYS CB C 373 32.179 32.179 32.498 -0.320 17685 666 1 2 . 1 1 48 48 LYS H H 373 8.050 8.050 7.860 0.190 17685 667 1 2 . 1 1 49 49 ALA N N 374 122.498 122.498 123.267 -0.769 17685 668 1 2 . 1 1 49 49 ALA HA H 374 3.068 3.068 4.044 -0.976 17685 669 1 2 . 1 1 49 49 ALA C C 374 177.781 177.781 178.857 -1.076 17685 670 1 2 . 1 1 49 49 ALA CA C 374 56.962 56.962 56.269 0.693 17685 671 1 2 . 1 1 49 49 ALA CB C 374 17.855 17.855 17.868 -0.013 17685 672 1 2 . 1 1 49 49 ALA H H 374 7.045 7.045 7.340 -0.295 17685 673 1 2 . 1 1 50 50 THR N N 375 108.573 108.573 111.128 -2.555 17685 674 1 2 . 1 1 50 50 THR HA H 375 4.044 4.044 4.038 0.006 17685 675 1 2 . 1 1 50 50 THR C C 375 177.647 177.647 176.478 1.169 17685 676 1 2 . 1 1 50 50 THR CA C 375 66.201 66.201 66.202 -0.001 17685 677 1 2 . 1 1 50 50 THR CB C 375 68.334 68.334 68.281 0.053 17685 678 1 2 . 1 1 50 50 THR H H 375 8.285 8.285 8.497 -0.212 17685 679 1 2 . 1 1 51 51 THR N N 376 120.018 120.018 118.796 1.222 17685 680 1 2 . 1 1 51 51 THR HA H 376 4.147 4.147 4.117 0.030 17685 681 1 2 . 1 1 51 51 THR C C 376 175.499 175.499 176.490 -0.991 17685 682 1 2 . 1 1 51 51 THR CA C 376 66.145 66.145 66.676 -0.531 17685 683 1 2 . 1 1 51 51 THR CB C 376 69.382 69.382 68.550 0.832 17685 684 1 2 . 1 1 51 51 THR H H 376 7.359 7.359 7.538 -0.179 17685 685 1 2 . 1 1 52 52 ILE N N 377 122.319 122.319 123.702 -1.383 17685 686 1 2 . 1 1 52 52 ILE HA H 377 3.168 3.168 3.834 -0.666 17685 687 1 2 . 1 1 52 52 ILE C C 377 177.879 177.879 178.120 -0.241 17685 688 1 2 . 1 1 52 52 ILE CA C 377 67.070 67.070 65.625 1.445 17685 689 1 2 . 1 1 52 52 ILE CB C 377 38.257 38.257 37.633 0.624 17685 690 1 2 . 1 1 52 52 ILE H H 377 8.346 8.346 8.558 -0.212 17685 691 1 2 . 1 1 53 53 ASP N N 378 117.696 117.696 119.600 -1.904 17685 692 1 2 . 1 1 53 53 ASP HA H 378 4.739 4.739 4.311 0.428 17685 693 1 2 . 1 1 53 53 ASP C C 378 180.094 180.094 178.706 1.388 17685 694 1 2 . 1 1 53 53 ASP CA C 378 58.044 58.044 58.386 -0.342 17685 695 1 2 . 1 1 53 53 ASP CB C 378 39.648 39.648 40.464 -0.816 17685 696 1 2 . 1 1 53 53 ASP H H 378 8.991 8.991 8.618 0.373 17685 697 1 2 . 1 1 54 54 GLU N N 379 121.956 121.956 120.775 1.181 17685 698 1 2 . 1 1 54 54 GLU HA H 379 4.174 4.174 3.971 0.203 17685 699 1 2 . 1 1 54 54 GLU C C 379 179.679 179.679 178.945 0.734 17685 700 1 2 . 1 1 54 54 GLU CA C 379 59.572 59.572 59.517 0.055 17685 701 1 2 . 1 1 54 54 GLU CB C 379 29.324 29.324 29.679 -0.355 17685 702 1 2 . 1 1 54 54 GLU H H 379 7.946 7.946 7.872 0.074 17685 703 1 2 . 1 1 55 55 GLN N N 380 120.733 120.733 119.112 1.621 17685 704 1 2 . 1 1 55 55 GLN HA H 380 4.171 4.171 4.101 0.070 17685 705 1 2 . 1 1 55 55 GLN C C 380 178.288 178.288 178.861 -0.573 17685 706 1 2 . 1 1 55 55 GLN CA C 380 59.994 59.994 58.991 1.003 17685 707 1 2 . 1 1 55 55 GLN CB C 380 29.566 29.566 29.240 0.326 17685 708 1 2 . 1 1 55 55 GLN H H 380 8.357 8.357 8.282 0.075 17685 709 1 2 . 1 1 56 56 VAL N N 381 120.353 120.353 119.432 0.921 17685 710 1 2 . 1 1 56 56 VAL HA H 381 3.536 3.536 3.574 -0.038 17685 711 1 2 . 1 1 56 56 VAL C C 381 178.220 178.220 178.224 -0.004 17685 712 1 2 . 1 1 56 56 VAL CA C 381 67.557 67.557 66.538 1.019 17685 713 1 2 . 1 1 56 56 VAL CB C 381 31.349 31.349 30.836 0.513 17685 714 1 2 . 1 1 56 56 VAL H H 381 9.484 9.484 8.672 0.812 17685 715 1 2 . 1 1 57 57 GLY N N 382 106.926 106.926 107.604 -0.678 17685 716 1 2 . 1 1 57 57 GLY C C 382 174.843 174.843 176.388 -1.545 17685 717 1 2 . 1 1 57 57 GLY CA C 382 47.694 47.694 47.125 0.569 17685 718 1 2 . 1 1 57 57 GLY H H 382 8.169 8.169 8.035 0.134 17685 719 1 2 . 1 1 58 58 LEU N N 383 120.610 120.610 122.612 -2.002 17685 720 1 2 . 1 1 58 58 LEU HA H 383 4.151 4.151 4.025 0.126 17685 721 1 2 . 1 1 58 58 LEU C C 383 180.087 180.087 178.949 1.138 17685 722 1 2 . 1 1 58 58 LEU CA C 383 57.974 57.974 57.483 0.491 17685 723 1 2 . 1 1 58 58 LEU CB C 383 42.125 42.125 41.751 0.374 17685 724 1 2 . 1 1 58 58 LEU H H 383 7.568 7.568 7.831 -0.263 17685 725 1 2 . 1 1 59 59 ILE N N 384 120.213 120.213 119.831 0.382 17685 726 1 2 . 1 1 59 59 ILE HA H 384 3.416 3.416 3.592 -0.176 17685 727 1 2 . 1 1 59 59 ILE C C 384 178.310 178.310 178.523 -0.213 17685 728 1 2 . 1 1 59 59 ILE CA C 384 66.069 66.069 65.458 0.611 17685 729 1 2 . 1 1 59 59 ILE CB C 384 38.233 38.233 37.639 0.594 17685 730 1 2 . 1 1 59 59 ILE H H 384 8.057 8.057 8.089 -0.032 17685 731 1 2 . 1 1 60 60 VAL N N 385 115.546 115.546 115.824 -0.278 17685 732 1 2 . 1 1 60 60 VAL HA H 385 3.560 3.560 3.648 -0.088 17685 733 1 2 . 1 1 60 60 VAL C C 385 177.921 177.921 177.765 0.156 17685 734 1 2 . 1 1 60 60 VAL CA C 385 66.702 66.702 65.630 1.072 17685 735 1 2 . 1 1 60 60 VAL CB C 385 31.565 31.565 31.467 0.098 17685 736 1 2 . 1 1 60 60 VAL H H 385 8.672 8.672 8.075 0.597 17685 737 1 2 . 1 1 61 61 ASP N N 386 117.831 117.831 120.321 -2.490 17685 738 1 2 . 1 1 61 61 ASP HA H 386 4.571 4.571 4.517 0.054 17685 739 1 2 . 1 1 61 61 ASP C C 386 177.238 177.238 177.348 -0.110 17685 740 1 2 . 1 1 61 61 ASP CA C 386 56.184 56.184 56.359 -0.176 17685 741 1 2 . 1 1 61 61 ASP CB C 386 40.632 40.632 41.263 -0.631 17685 742 1 2 . 1 1 61 61 ASP H H 386 7.988 7.988 7.980 0.008 17685 743 1 2 . 1 1 62 62 SER N N 387 114.761 114.761 113.512 1.249 17685 744 1 2 . 1 1 62 62 SER HA H 387 4.577 4.577 4.542 0.035 17685 745 1 2 . 1 1 62 62 SER C C 387 173.645 173.645 174.163 -0.518 17685 746 1 2 . 1 1 62 62 SER CA C 387 59.694 59.694 58.738 0.956 17685 747 1 2 . 1 1 62 62 SER CB C 387 64.588 64.588 63.561 1.027 17685 748 1 2 . 1 1 62 62 SER H H 387 7.755 7.755 7.613 0.142 17685 749 1 2 . 1 1 63 63 LEU N N 388 121.610 121.610 120.038 1.572 17685 750 1 2 . 1 1 63 63 LEU HA H 388 4.506 4.506 4.429 0.077 17685 751 1 2 . 1 1 63 63 LEU C C 388 177.071 177.071 175.072 1.999 17685 752 1 2 . 1 1 63 63 LEU CA C 388 54.490 54.490 53.585 0.905 17685 753 1 2 . 1 1 63 63 LEU CB C 388 42.414 42.414 44.214 -1.800 17685 754 1 2 . 1 1 63 63 LEU H H 388 7.083 7.083 7.105 -0.022 17685 755 1 2 . 1 1 64 64 ASN N N 389 122.154 122.154 116.186 5.968 17685 756 1 2 . 1 1 64 64 ASN HA H 389 4.748 4.748 4.845 -0.097 17685 757 1 2 . 1 1 64 64 ASN C C 389 175.144 175.144 175.219 -0.075 17685 758 1 2 . 1 1 64 64 ASN CA C 389 51.898 51.898 51.615 0.283 17685 759 1 2 . 1 1 64 64 ASN CB C 389 37.762 37.762 40.238 -2.476 17685 760 1 2 . 1 1 64 64 ASN H H 389 9.587 9.587 8.098 1.489 17685 761 1 2 . 1 1 65 65 ASP N N 390 116.882 116.882 120.082 -3.200 17685 762 1 2 . 1 1 65 65 ASP HA H 390 4.288 4.288 4.249 0.039 17685 763 1 2 . 1 1 65 65 ASP C C 390 178.601 178.601 178.039 0.562 17685 764 1 2 . 1 1 65 65 ASP CA C 390 58.992 58.992 58.816 0.176 17685 765 1 2 . 1 1 65 65 ASP CB C 390 40.168 40.168 40.771 -0.603 17685 766 1 2 . 1 1 65 65 ASP H H 390 8.504 8.504 8.851 -0.347 17685 767 1 2 . 1 1 66 66 GLU N N 391 119.807 119.807 117.780 2.027 17685 768 1 2 . 1 1 66 66 GLU HA H 391 4.048 4.048 4.032 0.016 17685 769 1 2 . 1 1 66 66 GLU C C 391 179.549 179.549 178.616 0.933 17685 770 1 2 . 1 1 66 66 GLU CA C 391 59.943 59.943 58.941 1.002 17685 771 1 2 . 1 1 66 66 GLU CB C 391 29.119 29.119 29.454 -0.335 17685 772 1 2 . 1 1 66 66 GLU H H 391 8.318 8.318 8.673 -0.355 17685 773 1 2 . 1 1 67 67 GLU N N 392 121.747 121.747 120.018 1.729 17685 774 1 2 . 1 1 67 67 GLU HA H 392 4.151 4.151 4.156 -0.005 17685 775 1 2 . 1 1 67 67 GLU C C 392 180.544 180.544 178.973 1.571 17685 776 1 2 . 1 1 67 67 GLU CA C 392 58.307 58.307 58.480 -0.173 17685 777 1 2 . 1 1 67 67 GLU CB C 392 30.933 30.933 29.206 1.727 17685 778 1 2 . 1 1 67 67 GLU H H 392 8.709 8.709 7.862 0.847 17685 779 1 2 . 1 1 68 68 LEU N N 393 123.523 123.523 120.912 2.611 17685 780 1 2 . 1 1 68 68 LEU HA H 393 3.923 3.923 4.078 -0.155 17685 781 1 2 . 1 1 68 68 LEU C C 393 178.151 178.151 179.429 -1.278 17685 782 1 2 . 1 1 68 68 LEU CA C 393 58.642 58.642 57.999 0.643 17685 783 1 2 . 1 1 68 68 LEU CB C 393 42.304 42.304 41.674 0.630 17685 784 1 2 . 1 1 68 68 LEU H H 393 8.930 8.930 7.793 1.137 17685 785 1 2 . 1 1 69 69 VAL N N 394 118.071 118.071 118.228 -0.157 17685 786 1 2 . 1 1 69 69 VAL HA H 394 3.527 3.527 3.499 0.028 17685 787 1 2 . 1 1 69 69 VAL C C 394 177.701 177.701 177.797 -0.096 17685 788 1 2 . 1 1 69 69 VAL CA C 394 66.494 66.494 67.023 -0.529 17685 789 1 2 . 1 1 69 69 VAL CB C 394 32.103 32.103 31.134 0.969 17685 790 1 2 . 1 1 69 69 VAL H H 394 7.304 7.304 7.775 -0.471 17685 791 1 2 . 1 1 70 70 SER N N 395 112.686 112.686 115.292 -2.606 17685 792 1 2 . 1 1 70 70 SER HA H 395 4.238 4.238 4.151 0.087 17685 793 1 2 . 1 1 70 70 SER C C 395 177.618 177.618 176.757 0.861 17685 794 1 2 . 1 1 70 70 SER CA C 395 61.410 61.410 61.909 -0.499 17685 795 1 2 . 1 1 70 70 SER CB C 395 63.002 63.002 62.933 0.069 17685 796 1 2 . 1 1 70 70 SER H H 395 7.906 7.906 7.797 0.109 17685 797 1 2 . 1 1 71 71 THR N N 396 118.003 118.003 114.953 3.050 17685 798 1 2 . 1 1 71 71 THR HA H 396 3.767 3.767 4.042 -0.275 17685 799 1 2 . 1 1 71 71 THR C C 396 175.404 175.404 176.555 -1.151 17685 800 1 2 . 1 1 71 71 THR CA C 396 67.763 67.763 65.308 2.455 17685 801 1 2 . 1 1 71 71 THR CB C 396 68.498 68.498 68.867 -0.368 17685 802 1 2 . 1 1 71 71 THR H H 396 8.511 8.511 8.257 0.254 17685 803 1 2 . 1 1 72 72 ALA N N 397 123.373 123.373 124.949 -1.576 17685 804 1 2 . 1 1 72 72 ALA HA H 397 3.857 3.857 3.896 -0.039 17685 805 1 2 . 1 1 72 72 ALA C C 397 180.173 180.173 179.050 1.123 17685 806 1 2 . 1 1 72 72 ALA CA C 397 56.079 56.079 55.239 0.841 17685 807 1 2 . 1 1 72 72 ALA CB C 397 17.767 17.767 18.282 -0.515 17685 808 1 2 . 1 1 72 72 ALA H H 397 8.268 8.268 8.293 -0.025 17685 809 1 2 . 1 1 73 73 ASP N N 398 118.963 118.963 117.963 1.000 17685 810 1 2 . 1 1 73 73 ASP HA H 398 4.382 4.382 4.332 0.050 17685 811 1 2 . 1 1 73 73 ASP C C 398 179.471 179.471 178.714 0.757 17685 812 1 2 . 1 1 73 73 ASP CA C 398 57.692 57.692 57.324 0.368 17685 813 1 2 . 1 1 73 73 ASP CB C 398 40.015 40.015 40.976 -0.961 17685 814 1 2 . 1 1 73 73 ASP H H 398 8.585 8.585 8.384 0.201 17685 815 1 2 . 1 1 74 74 LYS N N 399 120.591 120.591 118.581 2.010 17685 816 1 2 . 1 1 74 74 LYS HA H 399 4.050 4.050 4.116 -0.066 17685 817 1 2 . 1 1 74 74 LYS C C 399 180.082 180.082 179.015 1.067 17685 818 1 2 . 1 1 74 74 LYS CA C 399 60.001 60.001 58.591 1.410 17685 819 1 2 . 1 1 74 74 LYS CB C 399 34.080 34.080 32.167 1.913 17685 820 1 2 . 1 1 74 74 LYS H H 399 8.003 8.003 7.694 0.309 17685 821 1 2 . 1 1 75 75 ILE N N 400 120.602 120.602 120.429 0.173 17685 822 1 2 . 1 1 75 75 ILE HA H 400 3.687 3.687 3.776 -0.089 17685 823 1 2 . 1 1 75 75 ILE C C 400 177.770 177.770 177.946 -0.176 17685 824 1 2 . 1 1 75 75 ILE CA C 400 64.860 64.860 64.591 0.270 17685 825 1 2 . 1 1 75 75 ILE CB C 400 38.253 38.253 37.872 0.381 17685 826 1 2 . 1 1 75 75 ILE H H 400 7.877 7.877 7.687 0.190 17685 827 1 2 . 1 1 76 76 LYS N N 401 120.036 120.036 119.031 1.005 17685 828 1 2 . 1 1 76 76 LYS HA H 401 4.032 4.032 4.131 -0.099 17685 829 1 2 . 1 1 76 76 LYS C C 401 178.423 178.423 178.567 -0.144 17685 830 1 2 . 1 1 76 76 LYS CA C 401 58.735 58.735 58.345 0.390 17685 831 1 2 . 1 1 76 76 LYS CB C 401 32.325 32.325 31.661 0.664 17685 832 1 2 . 1 1 76 76 LYS H H 401 8.260 8.260 7.730 0.530 17685 833 1 2 . 1 1 77 77 ALA N N 402 118.655 118.655 120.829 -2.174 17685 834 1 2 . 1 1 77 77 ALA HA H 402 4.205 4.205 4.232 -0.027 17685 835 1 2 . 1 1 77 77 ALA C C 402 177.949 177.949 177.980 -0.031 17685 836 1 2 . 1 1 77 77 ALA CA C 402 53.673 53.673 53.874 -0.201 17685 837 1 2 . 1 1 77 77 ALA CB C 402 19.018 19.018 19.367 -0.349 17685 838 1 2 . 1 1 77 77 ALA H H 402 7.564 7.564 7.658 -0.094 17685 839 1 2 . 1 1 78 78 ASN N N 403 113.964 113.964 117.073 -3.109 17685 840 1 2 . 1 1 78 78 ASN HA H 403 4.841 4.841 4.820 0.021 17685 841 1 2 . 1 1 78 78 ASN C C 403 174.866 174.866 174.942 -0.076 17685 842 1 2 . 1 1 78 78 ASN CA C 403 52.485 52.485 53.008 -0.523 17685 843 1 2 . 1 1 78 78 ASN CB C 403 37.659 37.659 39.244 -1.585 17685 844 1 2 . 1 1 78 78 ASN H H 403 7.397 7.397 7.935 -0.538 17685 845 1 2 . 1 1 79 79 ALA N N 404 131.057 131.057 127.353 3.704 17685 846 1 2 . 1 1 79 79 ALA HA H 404 4.160 4.160 4.409 -0.249 17685 847 1 2 . 1 1 79 79 ALA C C 404 180.575 180.575 178.878 1.697 17685 848 1 2 . 1 1 79 79 ALA CA C 404 56.271 56.271 54.730 1.541 17685 849 1 2 . 1 1 79 79 ALA CB C 404 18.357 18.357 19.011 -0.654 17685 850 1 2 . 1 1 79 79 ALA H H 404 9.143 9.143 8.824 0.319 17685 851 1 2 . 1 1 80 80 ALA N N 405 117.862 117.862 120.047 -2.185 17685 852 1 2 . 1 1 80 80 ALA HA H 405 4.362 4.362 4.284 0.078 17685 853 1 2 . 1 1 80 80 ALA C C 405 179.218 179.218 178.774 0.444 17685 854 1 2 . 1 1 80 80 ALA CA C 405 53.931 53.931 53.523 0.408 17685 855 1 2 . 1 1 80 80 ALA CB C 405 18.226 18.226 18.963 -0.737 17685 856 1 2 . 1 1 80 80 ALA H H 405 8.315 8.315 8.110 0.205 17685 857 1 2 . 1 1 81 81 GLY N N 406 106.895 106.895 105.910 0.985 17685 858 1 2 . 1 1 81 81 GLY C C 406 175.175 175.175 174.236 0.939 17685 859 1 2 . 1 1 81 81 GLY CA C 406 45.363 45.363 43.972 1.391 17685 860 1 2 . 1 1 81 81 GLY H H 406 7.908 7.908 8.089 -0.181 17685 861 1 2 . 1 1 82 82 ALA N N 407 120.775 120.775 124.189 -3.414 17685 862 1 2 . 1 1 82 82 ALA HA H 407 3.971 3.971 4.107 -0.136 17685 863 1 2 . 1 1 82 82 ALA C C 407 177.879 177.879 178.685 -0.806 17685 864 1 2 . 1 1 82 82 ALA CA C 407 56.076 56.076 55.004 1.072 17685 865 1 2 . 1 1 82 82 ALA CB C 407 19.120 19.120 18.911 0.209 17685 866 1 2 . 1 1 82 82 ALA H H 407 7.574 7.574 7.392 0.182 17685 867 1 2 . 1 1 83 83 LYS N N 408 117.628 117.628 119.240 -1.612 17685 868 1 2 . 1 1 83 83 LYS HA H 408 3.352 3.352 3.945 -0.593 17685 869 1 2 . 1 1 83 83 LYS C C 408 178.064 178.064 177.985 0.079 17685 870 1 2 . 1 1 83 83 LYS CA C 408 61.404 61.404 59.580 1.824 17685 871 1 2 . 1 1 83 83 LYS CB C 408 31.311 31.311 31.574 -0.263 17685 872 1 2 . 1 1 83 83 LYS H H 408 8.755 8.755 8.182 0.573 17685 873 1 2 . 1 1 84 84 GLU N N 409 116.005 116.005 118.541 -2.536 17685 874 1 2 . 1 1 84 84 GLU HA H 409 3.994 3.994 4.064 -0.070 17685 875 1 2 . 1 1 84 84 GLU C C 409 179.508 179.508 178.564 0.944 17685 876 1 2 . 1 1 84 84 GLU CA C 409 59.300 59.300 59.030 0.270 17685 877 1 2 . 1 1 84 84 GLU CB C 409 28.978 28.978 28.617 0.361 17685 878 1 2 . 1 1 84 84 GLU H H 409 7.708 7.708 8.019 -0.311 17685 879 1 2 . 1 1 85 85 VAL N N 410 120.216 120.216 120.886 -0.670 17685 880 1 2 . 1 1 85 85 VAL HA H 410 3.786 3.786 3.715 0.071 17685 881 1 2 . 1 1 85 85 VAL C C 410 179.087 179.087 178.339 0.748 17685 882 1 2 . 1 1 85 85 VAL CA C 410 66.066 66.066 66.482 -0.416 17685 883 1 2 . 1 1 85 85 VAL CB C 410 32.060 32.060 31.343 0.717 17685 884 1 2 . 1 1 85 85 VAL H H 410 7.494 7.494 7.665 -0.171 17685 885 1 2 . 1 1 86 86 LEU N N 411 121.293 121.293 120.043 1.250 17685 886 1 2 . 1 1 86 86 LEU HA H 411 3.871 3.871 3.782 0.089 17685 887 1 2 . 1 1 86 86 LEU C C 411 178.844 178.844 178.761 0.083 17685 888 1 2 . 1 1 86 86 LEU CA C 411 58.100 58.100 58.378 -0.278 17685 889 1 2 . 1 1 86 86 LEU CB C 411 42.047 42.047 40.779 1.268 17685 890 1 2 . 1 1 86 86 LEU H H 411 8.371 8.371 7.633 0.738 17685 891 1 2 . 1 1 87 87 LYS N N 412 119.536 119.536 119.013 0.523 17685 892 1 2 . 1 1 87 87 LYS HA H 412 4.206 4.206 4.034 0.172 17685 893 1 2 . 1 1 87 87 LYS C C 412 179.347 179.347 179.388 -0.041 17685 894 1 2 . 1 1 87 87 LYS CA C 412 60.924 60.924 60.084 0.840 17685 895 1 2 . 1 1 87 87 LYS CB C 412 32.216 32.216 32.135 0.081 17685 896 1 2 . 1 1 87 87 LYS H H 412 8.818 8.818 8.543 0.275 17685 897 1 2 . 1 1 88 88 GLU N N 413 120.780 120.780 119.497 1.283 17685 898 1 2 . 1 1 88 88 GLU HA H 413 4.127 4.127 4.169 -0.042 17685 899 1 2 . 1 1 88 88 GLU C C 413 179.469 179.469 179.017 0.452 17685 900 1 2 . 1 1 88 88 GLU CA C 413 59.720 59.720 59.072 0.648 17685 901 1 2 . 1 1 88 88 GLU CB C 413 29.021 29.021 29.185 -0.164 17685 902 1 2 . 1 1 88 88 GLU H H 413 7.882 7.882 7.998 -0.116 17685 903 1 2 . 1 1 89 89 SER N N 414 116.823 116.823 115.862 0.961 17685 904 1 2 . 1 1 89 89 SER HA H 414 3.765 3.765 4.197 -0.432 17685 905 1 2 . 1 1 89 89 SER C C 414 176.091 176.091 176.367 -0.276 17685 906 1 2 . 1 1 89 89 SER CA C 414 63.550 63.550 61.064 2.486 17685 907 1 2 . 1 1 89 89 SER CB C 414 63.718 63.718 62.615 1.103 17685 908 1 2 . 1 1 89 89 SER H H 414 8.296 8.296 8.110 0.186 17685 909 1 2 . 1 1 90 90 ALA N N 415 123.230 123.230 123.867 -0.637 17685 910 1 2 . 1 1 90 90 ALA HA H 415 3.831 3.831 3.897 -0.066 17685 911 1 2 . 1 1 90 90 ALA C C 415 177.963 177.963 179.033 -1.070 17685 912 1 2 . 1 1 90 90 ALA CA C 415 55.415 55.415 55.482 -0.067 17685 913 1 2 . 1 1 90 90 ALA CB C 415 19.432 19.432 18.231 1.201 17685 914 1 2 . 1 1 90 90 ALA H H 415 8.805 8.805 8.503 0.302 17685 915 1 2 . 1 1 91 91 LYS N N 416 117.753 117.753 118.551 -0.798 17685 916 1 2 . 1 1 91 91 LYS HA H 416 3.972 3.972 4.082 -0.110 17685 917 1 2 . 1 1 91 91 LYS C C 416 178.198 178.198 178.953 -0.755 17685 918 1 2 . 1 1 91 91 LYS CA C 416 59.817 59.817 58.919 0.898 17685 919 1 2 . 1 1 91 91 LYS CB C 416 32.247 32.247 31.922 0.325 17685 920 1 2 . 1 1 91 91 LYS H H 416 8.085 8.085 7.619 0.466 17685 921 1 2 . 1 1 92 92 THR N N 417 114.597 114.597 116.970 -2.373 17685 922 1 2 . 1 1 92 92 THR HA H 417 4.075 4.075 4.082 -0.007 17685 923 1 2 . 1 1 92 92 THR C C 417 177.541 177.541 176.475 1.066 17685 924 1 2 . 1 1 92 92 THR CA C 417 66.473 66.473 66.905 -0.432 17685 925 1 2 . 1 1 92 92 THR CB C 417 69.070 69.070 68.379 0.691 17685 926 1 2 . 1 1 92 92 THR H H 417 7.923 7.923 7.740 0.183 17685 927 1 2 . 1 1 93 93 ILE N N 418 124.160 124.160 122.703 1.457 17685 928 1 2 . 1 1 93 93 ILE HA H 418 3.662 3.662 3.729 -0.067 17685 929 1 2 . 1 1 93 93 ILE C C 418 178.114 178.114 177.913 0.201 17685 930 1 2 . 1 1 93 93 ILE CA C 418 65.626 65.626 66.006 -0.380 17685 931 1 2 . 1 1 93 93 ILE CB C 418 38.297 38.297 37.747 0.550 17685 932 1 2 . 1 1 93 93 ILE H H 418 7.984 7.984 8.057 -0.073 17685 933 1 2 . 1 1 94 94 VAL N N 419 121.566 121.566 120.661 0.905 17685 934 1 2 . 1 1 94 94 VAL HA H 419 4.156 4.156 4.085 0.071 17685 935 1 2 . 1 1 94 94 VAL C C 419 181.424 181.424 178.458 2.966 17685 936 1 2 . 1 1 94 94 VAL CA C 419 65.808 65.808 65.314 0.494 17685 937 1 2 . 1 1 94 94 VAL CB C 419 31.892 31.892 32.150 -0.258 17685 938 1 2 . 1 1 94 94 VAL H H 419 8.551 8.551 8.195 0.356 17685 939 1 2 . 1 1 95 95 ASP N N 420 123.788 123.788 120.972 2.816 17685 940 1 2 . 1 1 95 95 ASP HA H 420 4.477 4.477 4.477 -0.000 17685 941 1 2 . 1 1 95 95 ASP C C 420 178.220 178.220 177.537 0.683 17685 942 1 2 . 1 1 95 95 ASP CA C 420 57.548 57.548 56.627 0.921 17685 943 1 2 . 1 1 95 95 ASP CB C 420 39.850 39.850 40.895 -1.045 17685 944 1 2 . 1 1 95 95 ASP H H 420 9.354 9.354 8.450 0.904 17685 945 1 2 . 1 1 96 96 SER N N 421 111.960 111.960 112.462 -0.502 17685 946 1 2 . 1 1 96 96 SER HA H 421 4.526 4.526 4.606 -0.080 17685 947 1 2 . 1 1 96 96 SER C C 421 175.345 175.345 174.203 1.142 17685 948 1 2 . 1 1 96 96 SER CA C 421 59.433 59.433 58.295 1.138 17685 949 1 2 . 1 1 96 96 SER CB C 421 64.264 64.264 64.069 0.195 17685 950 1 2 . 1 1 96 96 SER H H 421 7.862 7.862 7.482 0.380 17685 951 1 2 . 1 1 97 97 GLY N N 422 110.240 110.240 109.479 0.761 17685 952 1 2 . 1 1 97 97 GLY C C 422 175.158 175.158 175.491 -0.333 17685 953 1 2 . 1 1 97 97 GLY CA C 422 45.606 45.606 46.286 -0.680 17685 954 1 2 . 1 1 97 97 GLY H H 422 8.063 8.063 7.675 0.388 17685 955 1 2 . 1 1 98 98 LYS N N 423 120.213 120.213 118.801 1.412 17685 956 1 2 . 1 1 98 98 LYS HA H 423 4.083 4.083 4.206 -0.123 17685 957 1 2 . 1 1 98 98 LYS C C 423 176.681 176.681 177.004 -0.323 17685 958 1 2 . 1 1 98 98 LYS CA C 423 59.417 59.417 57.470 1.947 17685 959 1 2 . 1 1 98 98 LYS CB C 423 33.453 33.453 33.204 0.249 17685 960 1 2 . 1 1 98 98 LYS H H 423 7.992 7.992 8.414 -0.422 17685 961 1 2 . 1 1 99 99 LEU N N 424 114.357 114.357 119.176 -4.819 17685 962 1 2 . 1 1 99 99 LEU HA H 424 4.848 4.848 4.812 0.036 17685 963 1 2 . 1 1 99 99 LEU C C 424 174.161 174.161 173.994 0.167 17685 964 1 2 . 1 1 99 99 LEU CA C 424 52.225 52.225 51.846 0.379 17685 965 1 2 . 1 1 99 99 LEU CB C 424 46.075 46.075 44.366 1.709 17685 966 1 2 . 1 1 99 99 LEU H H 424 6.865 6.865 7.282 -0.417 17685 967 1 2 . 1 1 100 100 PRO HA H 425 4.650 4.650 4.769 -0.119 17685 968 1 2 . 1 1 100 100 PRO C C 425 177.559 177.559 177.931 -0.372 17685 969 1 2 . 1 1 100 100 PRO CA C 425 61.643 61.643 62.484 -0.841 17685 970 1 2 . 1 1 100 100 PRO CB C 425 32.422 32.422 32.380 0.042 17685 971 1 2 . 1 1 101 101 SER N N 426 117.043 117.043 118.865 -1.822 17685 972 1 2 . 1 1 101 101 SER HA H 426 3.824 3.824 4.107 -0.283 17685 973 1 2 . 1 1 101 101 SER C C 426 177.202 177.202 176.456 0.746 17685 974 1 2 . 1 1 101 101 SER CA C 426 61.708 61.708 61.697 0.011 17685 975 1 2 . 1 1 101 101 SER CB C 426 62.706 62.706 62.210 0.496 17685 976 1 2 . 1 1 101 101 SER H H 426 8.999 8.999 8.693 0.306 17685 977 1 2 . 1 1 102 102 SER N N 427 114.761 114.761 117.272 -2.511 17685 978 1 2 . 1 1 102 102 SER HA H 427 4.112 4.112 4.337 -0.225 17685 979 1 2 . 1 1 102 102 SER C C 427 176.526 176.526 176.118 0.408 17685 980 1 2 . 1 1 102 102 SER CA C 427 60.650 60.650 61.230 -0.580 17685 981 1 2 . 1 1 102 102 SER CB C 427 62.213 62.213 62.631 -0.418 17685 982 1 2 . 1 1 102 102 SER H H 427 8.115 8.115 8.492 -0.377 17685 983 1 2 . 1 1 103 103 LEU N N 428 120.408 120.408 120.019 0.389 17685 984 1 2 . 1 1 103 103 LEU HA H 428 4.435 4.435 4.338 0.097 17685 985 1 2 . 1 1 103 103 LEU C C 428 176.698 176.698 176.136 0.562 17685 986 1 2 . 1 1 103 103 LEU CA C 428 55.847 55.847 55.647 0.200 17685 987 1 2 . 1 1 103 103 LEU CB C 428 42.586 42.586 42.262 0.324 17685 988 1 2 . 1 1 103 103 LEU H H 428 7.320 7.320 7.729 -0.409 17685 989 1 2 . 1 1 104 104 LEU N N 429 117.860 117.860 116.002 1.858 17685 990 1 2 . 1 1 104 104 LEU HA H 429 4.995 4.995 4.752 0.243 17685 991 1 2 . 1 1 104 104 LEU C C 429 178.320 178.320 176.878 1.442 17685 992 1 2 . 1 1 104 104 LEU CA C 429 52.672 52.672 53.813 -1.141 17685 993 1 2 . 1 1 104 104 LEU CB C 429 43.039 43.039 42.001 1.038 17685 994 1 2 . 1 1 104 104 LEU H H 429 7.325 7.325 7.987 -0.661 17685 995 1 2 . 1 1 105 105 SER N N 430 112.664 112.664 117.656 -4.992 17685 996 1 2 . 1 1 105 105 SER HA H 430 4.259 4.259 4.617 -0.358 17685 997 1 2 . 1 1 105 105 SER C C 430 175.288 175.288 176.006 -0.718 17685 998 1 2 . 1 1 105 105 SER CA C 430 61.247 61.247 60.450 0.797 17685 999 1 2 . 1 1 105 105 SER CB C 430 64.058 64.058 62.843 1.215 17685 1000 1 2 . 1 1 105 105 SER H H 430 6.990 6.990 8.241 -1.251 17685 1001 1 2 . 1 1 106 106 TYR N N 431 125.624 125.624 119.013 6.611 17685 1002 1 2 . 1 1 106 106 TYR HA H 431 4.060 4.060 4.158 -0.098 17685 1003 1 2 . 1 1 106 106 TYR C C 431 176.064 176.064 175.117 0.947 17685 1004 1 2 . 1 1 106 106 TYR CA C 431 61.449 61.449 60.470 0.979 17685 1005 1 2 . 1 1 106 106 TYR CB C 431 38.282 38.282 38.677 -0.395 17685 1006 1 2 . 1 1 106 106 TYR H H 431 10.433 10.433 7.825 2.608 17685 1007 1 2 . 1 1 107 107 PHE N N 432 113.203 113.203 113.448 -0.245 17685 1008 1 2 . 1 1 107 107 PHE HA H 432 4.314 4.314 4.508 -0.194 17685 1009 1 2 . 1 1 107 107 PHE C C 432 173.901 173.901 175.608 -1.707 17685 1010 1 2 . 1 1 107 107 PHE CA C 432 59.810 59.810 60.151 -0.341 17685 1011 1 2 . 1 1 107 107 PHE CB C 432 43.249 43.249 40.846 2.403 17685 1012 1 2 . 1 1 107 107 PHE H H 432 7.955 7.955 7.869 0.086 17685 1013 1 3 . 1 1 22 22 SER N N 347 116.741 116.741 113.791 2.950 17685 1014 1 3 . 1 1 22 22 SER HA H 347 4.355 4.355 4.633 -0.278 17685 1015 1 3 . 1 1 22 22 SER C C 347 176.272 176.272 174.867 1.405 17685 1016 1 3 . 1 1 22 22 SER CA C 347 59.651 59.651 57.624 2.026 17685 1017 1 3 . 1 1 22 22 SER CB C 347 63.231 63.231 65.885 -2.654 17685 1018 1 3 . 1 1 22 22 SER H H 347 8.311 8.311 8.040 0.271 17685 1019 1 3 . 1 1 23 23 LYS N N 348 124.398 124.398 121.893 2.505 17685 1020 1 3 . 1 1 23 23 LYS HA H 348 4.142 4.142 4.205 -0.063 17685 1021 1 3 . 1 1 23 23 LYS C C 348 178.743 178.743 178.410 0.333 17685 1022 1 3 . 1 1 23 23 LYS CA C 348 59.304 59.304 58.269 1.035 17685 1023 1 3 . 1 1 23 23 LYS CB C 348 32.301 32.301 32.434 -0.133 17685 1024 1 3 . 1 1 23 23 LYS H H 348 8.611 8.611 8.650 -0.039 17685 1025 1 3 . 1 1 24 24 ALA N N 349 122.494 122.494 122.317 0.177 17685 1026 1 3 . 1 1 24 24 ALA HA H 349 4.137 4.137 4.222 -0.085 17685 1027 1 3 . 1 1 24 24 ALA C C 349 179.869 179.869 179.578 0.291 17685 1028 1 3 . 1 1 24 24 ALA CA C 349 54.811 54.811 54.388 0.423 17685 1029 1 3 . 1 1 24 24 ALA CB C 349 18.284 18.284 18.090 0.194 17685 1030 1 3 . 1 1 24 24 ALA H H 349 8.245 8.245 8.306 -0.061 17685 1031 1 3 . 1 1 25 25 ALA N N 350 121.576 121.576 120.277 1.299 17685 1032 1 3 . 1 1 25 25 ALA HA H 350 4.136 4.136 4.020 0.116 17685 1033 1 3 . 1 1 25 25 ALA C C 350 178.743 178.743 179.628 -0.885 17685 1034 1 3 . 1 1 25 25 ALA CA C 350 54.632 54.632 54.940 -0.308 17685 1035 1 3 . 1 1 25 25 ALA CB C 350 18.299 18.299 18.155 0.143 17685 1036 1 3 . 1 1 25 25 ALA H H 350 8.014 8.014 8.463 -0.449 17685 1037 1 3 . 1 1 26 26 LYS N N 351 119.618 119.618 118.605 1.013 17685 1038 1 3 . 1 1 26 26 LYS HA H 351 4.196 4.196 4.012 0.184 17685 1039 1 3 . 1 1 26 26 LYS C C 351 178.485 178.485 178.585 -0.100 17685 1040 1 3 . 1 1 26 26 LYS CA C 351 60.014 60.014 59.466 0.548 17685 1041 1 3 . 1 1 26 26 LYS CB C 351 32.511 32.511 31.944 0.567 17685 1042 1 3 . 1 1 26 26 LYS H H 351 7.831 7.831 7.625 0.206 17685 1043 1 3 . 1 1 27 27 LYS N N 352 118.080 118.080 119.724 -1.644 17685 1044 1 3 . 1 1 27 27 LYS HA H 352 3.958 3.958 3.928 0.030 17685 1045 1 3 . 1 1 27 27 LYS C C 352 179.564 179.564 178.620 0.944 17685 1046 1 3 . 1 1 27 27 LYS CA C 352 60.092 60.092 59.663 0.429 17685 1047 1 3 . 1 1 27 27 LYS CB C 352 32.550 32.550 32.444 0.106 17685 1048 1 3 . 1 1 27 27 LYS H H 352 7.905 7.905 7.530 0.375 17685 1049 1 3 . 1 1 28 28 LYS N N 353 119.878 119.878 118.661 1.217 17685 1050 1 3 . 1 1 28 28 LYS HA H 353 4.023 4.023 3.961 0.062 17685 1051 1 3 . 1 1 28 28 LYS C C 353 179.270 179.270 179.058 0.212 17685 1052 1 3 . 1 1 28 28 LYS CA C 353 59.806 59.806 59.731 0.075 17685 1053 1 3 . 1 1 28 28 LYS CB C 353 32.324 32.324 32.358 -0.034 17685 1054 1 3 . 1 1 28 28 LYS H H 353 7.934 7.934 8.417 -0.483 17685 1055 1 3 . 1 1 29 29 ASN N N 354 119.780 119.780 117.652 2.128 17685 1056 1 3 . 1 1 29 29 ASN HA H 354 4.557 4.557 4.495 0.062 17685 1057 1 3 . 1 1 29 29 ASN C C 354 177.395 177.395 177.694 -0.299 17685 1058 1 3 . 1 1 29 29 ASN CA C 354 56.167 56.167 55.580 0.588 17685 1059 1 3 . 1 1 29 29 ASN CB C 354 37.928 37.928 38.064 -0.136 17685 1060 1 3 . 1 1 29 29 ASN H H 354 8.524 8.524 8.292 0.232 17685 1061 1 3 . 1 1 30 30 LYS N N 355 118.850 118.850 120.323 -1.473 17685 1062 1 3 . 1 1 30 30 LYS HA H 355 3.820 3.820 3.915 -0.095 17685 1063 1 3 . 1 1 30 30 LYS C C 355 178.266 178.266 178.889 -0.623 17685 1064 1 3 . 1 1 30 30 LYS CA C 355 61.698 61.698 60.087 1.611 17685 1065 1 3 . 1 1 30 30 LYS CB C 355 33.000 33.000 32.352 0.648 17685 1066 1 3 . 1 1 30 30 LYS H H 355 8.599 8.599 8.460 0.139 17685 1067 1 3 . 1 1 31 31 ARG N N 356 118.226 118.226 118.027 0.199 17685 1068 1 3 . 1 1 31 31 ARG HA H 356 3.940 3.940 4.178 -0.238 17685 1069 1 3 . 1 1 31 31 ARG C C 356 177.676 177.676 178.386 -0.710 17685 1070 1 3 . 1 1 31 31 ARG CA C 356 59.316 59.316 58.895 0.421 17685 1071 1 3 . 1 1 31 31 ARG CB C 356 30.266 30.266 29.769 0.497 17685 1072 1 3 . 1 1 31 31 ARG H H 356 7.809 7.809 7.912 -0.103 17685 1073 1 3 . 1 1 32 32 ALA N N 357 120.780 120.780 123.736 -2.956 17685 1074 1 3 . 1 1 32 32 ALA HA H 357 4.104 4.104 4.117 -0.013 17685 1075 1 3 . 1 1 32 32 ALA C C 357 181.157 181.157 179.834 1.323 17685 1076 1 3 . 1 1 32 32 ALA CA C 357 55.118 55.118 54.907 0.211 17685 1077 1 3 . 1 1 32 32 ALA CB C 357 18.064 18.064 18.346 -0.282 17685 1078 1 3 . 1 1 32 32 ALA H H 357 8.155 8.155 8.199 -0.044 17685 1079 1 3 . 1 1 33 33 ILE N N 358 116.468 116.468 117.787 -1.319 17685 1080 1 3 . 1 1 33 33 ILE HA H 358 3.590 3.590 3.682 -0.092 17685 1081 1 3 . 1 1 33 33 ILE C C 358 179.458 179.458 177.959 1.499 17685 1082 1 3 . 1 1 33 33 ILE CA C 358 65.775 65.775 63.204 2.571 17685 1083 1 3 . 1 1 33 33 ILE CB C 358 38.592 38.592 36.484 2.108 17685 1084 1 3 . 1 1 33 33 ILE H H 358 7.929 7.929 8.482 -0.553 17685 1085 1 3 . 1 1 34 34 ARG N N 359 119.937 119.937 120.007 -0.070 17685 1086 1 3 . 1 1 34 34 ARG HA H 359 3.998 3.998 3.974 0.024 17685 1087 1 3 . 1 1 34 34 ARG C C 359 179.124 179.124 179.177 -0.053 17685 1088 1 3 . 1 1 34 34 ARG CA C 359 60.029 60.029 59.863 0.166 17685 1089 1 3 . 1 1 34 34 ARG CB C 359 30.576 30.576 29.734 0.842 17685 1090 1 3 . 1 1 34 34 ARG H H 359 8.672 8.672 7.578 1.094 17685 1091 1 3 . 1 1 35 35 ASN N N 360 116.359 116.359 118.168 -1.809 17685 1092 1 3 . 1 1 35 35 ASN HA H 360 4.575 4.575 4.480 0.095 17685 1093 1 3 . 1 1 35 35 ASN C C 360 175.723 175.723 176.748 -1.025 17685 1094 1 3 . 1 1 35 35 ASN CA C 360 54.215 54.215 56.098 -1.883 17685 1095 1 3 . 1 1 35 35 ASN CB C 360 38.575 38.575 38.354 0.221 17685 1096 1 3 . 1 1 35 35 ASN H H 360 8.454 8.454 8.364 0.090 17685 1097 1 3 . 1 1 36 36 SER N N 361 115.734 115.734 116.191 -0.457 17685 1098 1 3 . 1 1 36 36 SER HA H 361 3.995 3.995 4.211 -0.216 17685 1099 1 3 . 1 1 36 36 SER C C 361 176.129 176.129 176.074 0.055 17685 1100 1 3 . 1 1 36 36 SER CA C 361 62.349 62.349 61.960 0.389 17685 1101 1 3 . 1 1 36 36 SER CB C 361 63.664 63.664 62.914 0.750 17685 1102 1 3 . 1 1 36 36 SER H H 361 7.617 7.617 7.769 -0.152 17685 1103 1 3 . 1 1 37 37 ALA N N 362 124.421 124.421 124.037 0.384 17685 1104 1 3 . 1 1 37 37 ALA HA H 362 3.770 3.770 3.968 -0.198 17685 1105 1 3 . 1 1 37 37 ALA C C 362 178.482 178.482 178.134 0.348 17685 1106 1 3 . 1 1 37 37 ALA CA C 362 54.821 54.821 54.164 0.657 17685 1107 1 3 . 1 1 37 37 ALA CB C 362 18.347 18.347 18.106 0.241 17685 1108 1 3 . 1 1 37 37 ALA H H 362 6.868 6.868 7.707 -0.839 17685 1109 1 3 . 1 1 38 38 LYS N N 363 122.319 122.319 117.293 5.026 17685 1110 1 3 . 1 1 38 38 LYS HA H 363 2.913 2.913 4.205 -1.292 17685 1111 1 3 . 1 1 38 38 LYS C C 363 180.669 180.669 179.535 1.134 17685 1112 1 3 . 1 1 38 38 LYS CA C 363 59.567 59.567 58.697 0.870 17685 1113 1 3 . 1 1 38 38 LYS CB C 363 31.563 31.563 32.339 -0.776 17685 1114 1 3 . 1 1 38 38 LYS H H 363 8.317 8.317 7.391 0.926 17685 1115 1 3 . 1 1 39 39 GLU N N 364 118.666 118.666 117.960 0.706 17685 1116 1 3 . 1 1 39 39 GLU HA H 364 4.015 4.015 4.232 -0.217 17685 1117 1 3 . 1 1 39 39 GLU C C 364 176.609 176.609 178.360 -1.751 17685 1118 1 3 . 1 1 39 39 GLU CA C 364 58.674 58.674 58.197 0.477 17685 1119 1 3 . 1 1 39 39 GLU CB C 364 29.058 29.058 29.643 -0.585 17685 1120 1 3 . 1 1 39 39 GLU H H 364 7.935 7.935 8.280 -0.345 17685 1121 1 3 . 1 1 40 40 ALA N N 365 121.145 121.145 119.697 1.448 17685 1122 1 3 . 1 1 40 40 ALA HA H 365 4.663 4.663 4.428 0.235 17685 1123 1 3 . 1 1 40 40 ALA C C 365 177.688 177.688 176.432 1.256 17685 1124 1 3 . 1 1 40 40 ALA CA C 365 50.931 50.931 51.035 -0.104 17685 1125 1 3 . 1 1 40 40 ALA CB C 365 18.566 18.566 19.838 -1.272 17685 1126 1 3 . 1 1 40 40 ALA H H 365 7.049 7.049 7.918 -0.869 17685 1127 1 3 . 1 1 41 41 ASP N N 366 121.103 121.103 116.779 4.324 17685 1128 1 3 . 1 1 41 41 ASP HA H 366 4.338 4.338 4.273 0.065 17685 1129 1 3 . 1 1 41 41 ASP C C 366 175.644 175.644 174.993 0.651 17685 1130 1 3 . 1 1 41 41 ASP CA C 366 55.898 55.898 54.421 1.477 17685 1131 1 3 . 1 1 41 41 ASP CB C 366 39.353 39.353 40.696 -1.343 17685 1132 1 3 . 1 1 41 41 ASP H H 366 8.099 8.099 7.150 0.949 17685 1133 1 3 . 1 1 42 42 TYR N N 367 110.700 110.700 119.877 -9.177 17685 1134 1 3 . 1 1 42 42 TYR HA H 367 2.485 2.485 4.194 -1.709 17685 1135 1 3 . 1 1 42 42 TYR C C 367 174.307 174.307 176.137 -1.830 17685 1136 1 3 . 1 1 42 42 TYR CA C 367 61.064 61.064 57.863 3.201 17685 1137 1 3 . 1 1 42 42 TYR CB C 367 34.242 34.242 38.165 -3.923 17685 1138 1 3 . 1 1 42 42 TYR H H 367 8.364 8.364 8.838 -0.474 17685 1139 1 3 . 1 1 43 43 PHE N N 368 111.305 111.305 115.488 -4.183 17685 1140 1 3 . 1 1 43 43 PHE HA H 368 4.666 4.666 4.204 0.462 17685 1141 1 3 . 1 1 43 43 PHE C C 368 177.162 177.162 176.012 1.150 17685 1142 1 3 . 1 1 43 43 PHE CA C 368 56.561 56.561 59.324 -2.763 17685 1143 1 3 . 1 1 43 43 PHE CB C 368 36.514 36.514 35.905 0.609 17685 1144 1 3 . 1 1 43 43 PHE H H 368 7.666 7.666 7.888 -0.222 17685 1145 1 3 . 1 1 44 44 GLY N N 369 106.300 106.300 105.131 1.169 17685 1146 1 3 . 1 1 44 44 GLY C C 369 174.446 174.446 174.904 -0.458 17685 1147 1 3 . 1 1 44 44 GLY CA C 369 45.780 45.780 45.038 0.742 17685 1148 1 3 . 1 1 44 44 GLY H H 369 7.671 7.671 8.108 -0.437 17685 1149 1 3 . 1 1 45 45 ASP N N 370 122.876 122.876 122.274 0.602 17685 1150 1 3 . 1 1 45 45 ASP HA H 370 5.323 5.323 4.804 0.519 17685 1151 1 3 . 1 1 45 45 ASP C C 370 176.360 176.360 176.614 -0.254 17685 1152 1 3 . 1 1 45 45 ASP CA C 370 53.322 53.322 54.188 -0.866 17685 1153 1 3 . 1 1 45 45 ASP CB C 370 41.391 41.391 40.687 0.704 17685 1154 1 3 . 1 1 45 45 ASP H H 370 8.331 8.331 8.261 0.070 17685 1155 1 3 . 1 1 46 46 ALA N N 371 121.771 121.771 123.135 -1.364 17685 1156 1 3 . 1 1 46 46 ALA HA H 371 3.600 3.600 4.071 -0.471 17685 1157 1 3 . 1 1 46 46 ALA C C 371 179.111 179.111 178.577 0.534 17685 1158 1 3 . 1 1 46 46 ALA CA C 371 56.038 56.038 54.575 1.462 17685 1159 1 3 . 1 1 46 46 ALA CB C 371 17.942 17.942 18.491 -0.549 17685 1160 1 3 . 1 1 46 46 ALA H H 371 8.282 8.282 8.442 -0.160 17685 1161 1 3 . 1 1 47 47 ASP N N 372 116.273 116.273 116.269 0.004 17685 1162 1 3 . 1 1 47 47 ASP HA H 372 4.359 4.359 4.485 -0.126 17685 1163 1 3 . 1 1 47 47 ASP C C 372 177.019 177.019 176.667 0.352 17685 1164 1 3 . 1 1 47 47 ASP CA C 372 55.832 55.832 56.090 -0.258 17685 1165 1 3 . 1 1 47 47 ASP CB C 372 39.190 39.190 40.868 -1.678 17685 1166 1 3 . 1 1 47 47 ASP H H 372 9.068 9.068 8.695 0.373 17685 1167 1 3 . 1 1 48 48 LYS N N 373 120.180 120.180 115.915 4.265 17685 1168 1 3 . 1 1 48 48 LYS HA H 373 4.723 4.723 4.614 0.109 17685 1169 1 3 . 1 1 48 48 LYS C C 373 175.542 175.542 176.696 -1.154 17685 1170 1 3 . 1 1 48 48 LYS CA C 373 54.787 54.787 55.431 -0.644 17685 1171 1 3 . 1 1 48 48 LYS CB C 373 32.179 32.179 31.969 0.210 17685 1172 1 3 . 1 1 48 48 LYS H H 373 8.050 8.050 7.781 0.269 17685 1173 1 3 . 1 1 49 49 ALA N N 374 122.498 122.498 123.971 -1.473 17685 1174 1 3 . 1 1 49 49 ALA HA H 374 3.068 3.068 4.259 -1.191 17685 1175 1 3 . 1 1 49 49 ALA C C 374 177.781 177.781 179.201 -1.420 17685 1176 1 3 . 1 1 49 49 ALA CA C 374 56.962 56.962 56.335 0.627 17685 1177 1 3 . 1 1 49 49 ALA CB C 374 17.855 17.855 18.370 -0.515 17685 1178 1 3 . 1 1 49 49 ALA H H 374 7.045 7.045 7.619 -0.574 17685 1179 1 3 . 1 1 50 50 THR N N 375 108.573 108.573 112.805 -4.232 17685 1180 1 3 . 1 1 50 50 THR HA H 375 4.044 4.044 4.016 0.028 17685 1181 1 3 . 1 1 50 50 THR C C 375 177.647 177.647 176.624 1.023 17685 1182 1 3 . 1 1 50 50 THR CA C 375 66.201 66.201 67.540 -1.339 17685 1183 1 3 . 1 1 50 50 THR CB C 375 68.334 68.334 68.160 0.173 17685 1184 1 3 . 1 1 50 50 THR H H 375 8.285 8.285 8.441 -0.156 17685 1185 1 3 . 1 1 51 51 THR N N 376 120.018 120.018 119.252 0.766 17685 1186 1 3 . 1 1 51 51 THR HA H 376 4.147 4.147 4.090 0.057 17685 1187 1 3 . 1 1 51 51 THR C C 376 175.499 175.499 176.382 -0.883 17685 1188 1 3 . 1 1 51 51 THR CA C 376 66.145 66.145 66.516 -0.371 17685 1189 1 3 . 1 1 51 51 THR CB C 376 69.382 69.382 68.427 0.955 17685 1190 1 3 . 1 1 51 51 THR H H 376 7.359 7.359 7.571 -0.212 17685 1191 1 3 . 1 1 52 52 ILE N N 377 122.319 122.319 122.989 -0.670 17685 1192 1 3 . 1 1 52 52 ILE HA H 377 3.168 3.168 3.617 -0.449 17685 1193 1 3 . 1 1 52 52 ILE C C 377 177.879 177.879 177.594 0.285 17685 1194 1 3 . 1 1 52 52 ILE CA C 377 67.070 67.070 66.109 0.961 17685 1195 1 3 . 1 1 52 52 ILE CB C 377 38.257 38.257 37.664 0.593 17685 1196 1 3 . 1 1 52 52 ILE H H 377 8.346 8.346 8.436 -0.090 17685 1197 1 3 . 1 1 53 53 ASP N N 378 117.696 117.696 119.233 -1.537 17685 1198 1 3 . 1 1 53 53 ASP HA H 378 4.739 4.739 4.350 0.389 17685 1199 1 3 . 1 1 53 53 ASP C C 378 180.094 180.094 178.781 1.313 17685 1200 1 3 . 1 1 53 53 ASP CA C 378 58.044 58.044 58.432 -0.388 17685 1201 1 3 . 1 1 53 53 ASP CB C 378 39.648 39.648 40.479 -0.831 17685 1202 1 3 . 1 1 53 53 ASP H H 378 8.991 8.991 8.593 0.398 17685 1203 1 3 . 1 1 54 54 GLU N N 379 121.956 121.956 120.575 1.381 17685 1204 1 3 . 1 1 54 54 GLU HA H 379 4.174 4.174 3.989 0.185 17685 1205 1 3 . 1 1 54 54 GLU C C 379 179.679 179.679 178.760 0.919 17685 1206 1 3 . 1 1 54 54 GLU CA C 379 59.572 59.572 59.529 0.042 17685 1207 1 3 . 1 1 54 54 GLU CB C 379 29.324 29.324 29.720 -0.396 17685 1208 1 3 . 1 1 54 54 GLU H H 379 7.946 7.946 7.824 0.122 17685 1209 1 3 . 1 1 55 55 GLN N N 380 120.733 120.733 119.360 1.373 17685 1210 1 3 . 1 1 55 55 GLN HA H 380 4.171 4.171 4.048 0.123 17685 1211 1 3 . 1 1 55 55 GLN C C 380 178.288 178.288 178.668 -0.380 17685 1212 1 3 . 1 1 55 55 GLN CA C 380 59.994 59.994 59.126 0.868 17685 1213 1 3 . 1 1 55 55 GLN CB C 380 29.566 29.566 29.186 0.380 17685 1214 1 3 . 1 1 55 55 GLN H H 380 8.357 8.357 8.670 -0.313 17685 1215 1 3 . 1 1 56 56 VAL N N 381 120.353 120.353 119.248 1.105 17685 1216 1 3 . 1 1 56 56 VAL HA H 381 3.536 3.536 3.484 0.052 17685 1217 1 3 . 1 1 56 56 VAL C C 381 178.220 178.220 178.290 -0.070 17685 1218 1 3 . 1 1 56 56 VAL CA C 381 67.557 67.557 66.674 0.883 17685 1219 1 3 . 1 1 56 56 VAL CB C 381 31.349 31.349 30.629 0.720 17685 1220 1 3 . 1 1 56 56 VAL H H 381 9.484 9.484 8.620 0.864 17685 1221 1 3 . 1 1 57 57 GLY N N 382 106.926 106.926 107.656 -0.730 17685 1222 1 3 . 1 1 57 57 GLY C C 382 174.843 174.843 176.195 -1.352 17685 1223 1 3 . 1 1 57 57 GLY CA C 382 47.694 47.694 47.395 0.299 17685 1224 1 3 . 1 1 57 57 GLY H H 382 8.169 8.169 8.105 0.064 17685 1225 1 3 . 1 1 58 58 LEU N N 383 120.610 120.610 120.941 -0.331 17685 1226 1 3 . 1 1 58 58 LEU HA H 383 4.151 4.151 4.204 -0.053 17685 1227 1 3 . 1 1 58 58 LEU C C 383 180.087 180.087 178.676 1.411 17685 1228 1 3 . 1 1 58 58 LEU CA C 383 57.974 57.974 57.063 0.911 17685 1229 1 3 . 1 1 58 58 LEU CB C 383 42.125 42.125 41.031 1.094 17685 1230 1 3 . 1 1 58 58 LEU H H 383 7.568 7.568 8.194 -0.626 17685 1231 1 3 . 1 1 59 59 ILE N N 384 120.213 120.213 120.500 -0.287 17685 1232 1 3 . 1 1 59 59 ILE HA H 384 3.416 3.416 3.521 -0.105 17685 1233 1 3 . 1 1 59 59 ILE C C 384 178.310 178.310 178.084 0.226 17685 1234 1 3 . 1 1 59 59 ILE CA C 384 66.069 66.069 65.903 0.166 17685 1235 1 3 . 1 1 59 59 ILE CB C 384 38.233 38.233 37.663 0.570 17685 1236 1 3 . 1 1 59 59 ILE H H 384 8.057 8.057 8.261 -0.204 17685 1237 1 3 . 1 1 60 60 VAL N N 385 115.546 115.546 114.929 0.617 17685 1238 1 3 . 1 1 60 60 VAL HA H 385 3.560 3.560 3.592 -0.032 17685 1239 1 3 . 1 1 60 60 VAL C C 385 177.921 177.921 176.923 0.998 17685 1240 1 3 . 1 1 60 60 VAL CA C 385 66.702 66.702 65.595 1.107 17685 1241 1 3 . 1 1 60 60 VAL CB C 385 31.565 31.565 31.650 -0.085 17685 1242 1 3 . 1 1 60 60 VAL H H 385 8.672 8.672 8.039 0.633 17685 1243 1 3 . 1 1 61 61 ASP N N 386 117.831 117.831 119.024 -1.193 17685 1244 1 3 . 1 1 61 61 ASP HA H 386 4.571 4.571 4.446 0.125 17685 1245 1 3 . 1 1 61 61 ASP C C 386 177.238 177.238 178.241 -1.003 17685 1246 1 3 . 1 1 61 61 ASP CA C 386 56.184 56.184 56.618 -0.435 17685 1247 1 3 . 1 1 61 61 ASP CB C 386 40.632 40.632 41.474 -0.842 17685 1248 1 3 . 1 1 61 61 ASP H H 386 7.988 7.988 7.970 0.018 17685 1249 1 3 . 1 1 62 62 SER N N 387 114.761 114.761 115.513 -0.752 17685 1250 1 3 . 1 1 62 62 SER HA H 387 4.577 4.577 4.356 0.221 17685 1251 1 3 . 1 1 62 62 SER C C 387 173.645 173.645 174.511 -0.866 17685 1252 1 3 . 1 1 62 62 SER CA C 387 59.694 59.694 60.997 -1.303 17685 1253 1 3 . 1 1 62 62 SER CB C 387 64.588 64.588 63.647 0.941 17685 1254 1 3 . 1 1 62 62 SER H H 387 7.755 7.755 7.889 -0.134 17685 1255 1 3 . 1 1 63 63 LEU N N 388 121.610 121.610 120.308 1.302 17685 1256 1 3 . 1 1 63 63 LEU HA H 388 4.506 4.506 4.297 0.209 17685 1257 1 3 . 1 1 63 63 LEU C C 388 177.071 177.071 174.917 2.154 17685 1258 1 3 . 1 1 63 63 LEU CA C 388 54.490 54.490 54.087 0.403 17685 1259 1 3 . 1 1 63 63 LEU CB C 388 42.414 42.414 42.974 -0.560 17685 1260 1 3 . 1 1 63 63 LEU H H 388 7.083 7.083 7.476 -0.393 17685 1261 1 3 . 1 1 64 64 ASN N N 389 122.154 122.154 114.152 8.002 17685 1262 1 3 . 1 1 64 64 ASN HA H 389 4.748 4.748 4.896 -0.148 17685 1263 1 3 . 1 1 64 64 ASN C C 389 175.144 175.144 175.424 -0.280 17685 1264 1 3 . 1 1 64 64 ASN CA C 389 51.898 51.898 51.439 0.459 17685 1265 1 3 . 1 1 64 64 ASN CB C 389 37.762 37.762 40.879 -3.117 17685 1266 1 3 . 1 1 64 64 ASN H H 389 9.587 9.587 8.037 1.550 17685 1267 1 3 . 1 1 65 65 ASP N N 390 116.882 116.882 119.213 -2.331 17685 1268 1 3 . 1 1 65 65 ASP HA H 390 4.288 4.288 4.236 0.052 17685 1269 1 3 . 1 1 65 65 ASP C C 390 178.601 178.601 177.353 1.248 17685 1270 1 3 . 1 1 65 65 ASP CA C 390 58.992 58.992 57.482 1.510 17685 1271 1 3 . 1 1 65 65 ASP CB C 390 40.168 40.168 40.405 -0.237 17685 1272 1 3 . 1 1 65 65 ASP H H 390 8.504 8.504 8.893 -0.389 17685 1273 1 3 . 1 1 66 66 GLU N N 391 119.807 119.807 119.356 0.451 17685 1274 1 3 . 1 1 66 66 GLU HA H 391 4.048 4.048 4.101 -0.053 17685 1275 1 3 . 1 1 66 66 GLU C C 391 179.549 179.549 179.254 0.295 17685 1276 1 3 . 1 1 66 66 GLU CA C 391 59.943 59.943 59.247 0.696 17685 1277 1 3 . 1 1 66 66 GLU CB C 391 29.119 29.119 28.939 0.180 17685 1278 1 3 . 1 1 66 66 GLU H H 391 8.318 8.318 8.754 -0.436 17685 1279 1 3 . 1 1 67 67 GLU N N 392 121.747 121.747 119.349 2.398 17685 1280 1 3 . 1 1 67 67 GLU HA H 392 4.151 4.151 4.176 -0.025 17685 1281 1 3 . 1 1 67 67 GLU C C 392 180.544 180.544 179.153 1.391 17685 1282 1 3 . 1 1 67 67 GLU CA C 392 58.307 58.307 58.357 -0.050 17685 1283 1 3 . 1 1 67 67 GLU CB C 392 30.933 30.933 29.207 1.726 17685 1284 1 3 . 1 1 67 67 GLU H H 392 8.709 8.709 7.779 0.930 17685 1285 1 3 . 1 1 68 68 LEU N N 393 123.523 123.523 120.528 2.995 17685 1286 1 3 . 1 1 68 68 LEU HA H 393 3.923 3.923 4.104 -0.181 17685 1287 1 3 . 1 1 68 68 LEU C C 393 178.151 178.151 179.512 -1.361 17685 1288 1 3 . 1 1 68 68 LEU CA C 393 58.642 58.642 57.831 0.811 17685 1289 1 3 . 1 1 68 68 LEU CB C 393 42.304 42.304 41.651 0.653 17685 1290 1 3 . 1 1 68 68 LEU H H 393 8.930 8.930 8.169 0.761 17685 1291 1 3 . 1 1 69 69 VAL N N 394 118.071 118.071 119.388 -1.317 17685 1292 1 3 . 1 1 69 69 VAL HA H 394 3.527 3.527 3.526 0.001 17685 1293 1 3 . 1 1 69 69 VAL C C 394 177.701 177.701 178.039 -0.338 17685 1294 1 3 . 1 1 69 69 VAL CA C 394 66.494 66.494 66.893 -0.399 17685 1295 1 3 . 1 1 69 69 VAL CB C 394 32.103 32.103 31.207 0.896 17685 1296 1 3 . 1 1 69 69 VAL H H 394 7.304 7.304 7.819 -0.515 17685 1297 1 3 . 1 1 70 70 SER N N 395 112.686 112.686 116.191 -3.505 17685 1298 1 3 . 1 1 70 70 SER HA H 395 4.238 4.238 4.167 0.071 17685 1299 1 3 . 1 1 70 70 SER C C 395 177.618 177.618 176.974 0.644 17685 1300 1 3 . 1 1 70 70 SER CA C 395 61.410 61.410 62.334 -0.924 17685 1301 1 3 . 1 1 70 70 SER CB C 395 63.002 63.002 62.800 0.202 17685 1302 1 3 . 1 1 70 70 SER H H 395 7.906 7.906 7.833 0.073 17685 1303 1 3 . 1 1 71 71 THR N N 396 118.003 118.003 114.570 3.433 17685 1304 1 3 . 1 1 71 71 THR HA H 396 3.767 3.767 4.002 -0.235 17685 1305 1 3 . 1 1 71 71 THR C C 396 175.404 175.404 176.604 -1.200 17685 1306 1 3 . 1 1 71 71 THR CA C 396 67.763 67.763 65.517 2.246 17685 1307 1 3 . 1 1 71 71 THR CB C 396 68.498 68.498 68.737 -0.239 17685 1308 1 3 . 1 1 71 71 THR H H 396 8.511 8.511 8.265 0.246 17685 1309 1 3 . 1 1 72 72 ALA N N 397 123.373 123.373 124.715 -1.342 17685 1310 1 3 . 1 1 72 72 ALA HA H 397 3.857 3.857 3.906 -0.049 17685 1311 1 3 . 1 1 72 72 ALA C C 397 180.173 180.173 179.051 1.122 17685 1312 1 3 . 1 1 72 72 ALA CA C 397 56.079 56.079 55.186 0.893 17685 1313 1 3 . 1 1 72 72 ALA CB C 397 17.767 17.767 18.304 -0.537 17685 1314 1 3 . 1 1 72 72 ALA H H 397 8.268 8.268 8.261 0.007 17685 1315 1 3 . 1 1 73 73 ASP N N 398 118.963 118.963 117.909 1.054 17685 1316 1 3 . 1 1 73 73 ASP HA H 398 4.382 4.382 4.344 0.038 17685 1317 1 3 . 1 1 73 73 ASP C C 398 179.471 179.471 178.667 0.804 17685 1318 1 3 . 1 1 73 73 ASP CA C 398 57.692 57.692 57.181 0.511 17685 1319 1 3 . 1 1 73 73 ASP CB C 398 40.015 40.015 40.951 -0.936 17685 1320 1 3 . 1 1 73 73 ASP H H 398 8.585 8.585 8.450 0.135 17685 1321 1 3 . 1 1 74 74 LYS N N 399 120.591 120.591 118.804 1.787 17685 1322 1 3 . 1 1 74 74 LYS HA H 399 4.050 4.050 4.084 -0.034 17685 1323 1 3 . 1 1 74 74 LYS C C 399 180.082 180.082 178.900 1.182 17685 1324 1 3 . 1 1 74 74 LYS CA C 399 60.001 60.001 58.572 1.429 17685 1325 1 3 . 1 1 74 74 LYS CB C 399 34.080 34.080 32.079 2.001 17685 1326 1 3 . 1 1 74 74 LYS H H 399 8.003 8.003 7.393 0.610 17685 1327 1 3 . 1 1 75 75 ILE N N 400 120.602 120.602 120.063 0.539 17685 1328 1 3 . 1 1 75 75 ILE HA H 400 3.687 3.687 3.926 -0.239 17685 1329 1 3 . 1 1 75 75 ILE C C 400 177.770 177.770 178.297 -0.527 17685 1330 1 3 . 1 1 75 75 ILE CA C 400 64.860 64.860 64.489 0.371 17685 1331 1 3 . 1 1 75 75 ILE CB C 400 38.253 38.253 37.780 0.473 17685 1332 1 3 . 1 1 75 75 ILE H H 400 7.877 7.877 7.777 0.100 17685 1333 1 3 . 1 1 76 76 LYS N N 401 120.036 120.036 118.789 1.247 17685 1334 1 3 . 1 1 76 76 LYS HA H 401 4.032 4.032 4.142 -0.110 17685 1335 1 3 . 1 1 76 76 LYS C C 401 178.423 178.423 177.682 0.741 17685 1336 1 3 . 1 1 76 76 LYS CA C 401 58.735 58.735 58.195 0.540 17685 1337 1 3 . 1 1 76 76 LYS CB C 401 32.325 32.325 31.655 0.670 17685 1338 1 3 . 1 1 76 76 LYS H H 401 8.260 8.260 7.897 0.363 17685 1339 1 3 . 1 1 77 77 ALA N N 402 118.655 118.655 120.646 -1.991 17685 1340 1 3 . 1 1 77 77 ALA HA H 402 4.205 4.205 4.370 -0.165 17685 1341 1 3 . 1 1 77 77 ALA C C 402 177.949 177.949 177.106 0.843 17685 1342 1 3 . 1 1 77 77 ALA CA C 402 53.673 53.673 53.225 0.448 17685 1343 1 3 . 1 1 77 77 ALA CB C 402 19.018 19.018 19.832 -0.814 17685 1344 1 3 . 1 1 77 77 ALA H H 402 7.564 7.564 7.353 0.211 17685 1345 1 3 . 1 1 78 78 ASN N N 403 113.964 113.964 115.442 -1.478 17685 1346 1 3 . 1 1 78 78 ASN HA H 403 4.841 4.841 4.823 0.018 17685 1347 1 3 . 1 1 78 78 ASN C C 403 174.866 174.866 174.947 -0.081 17685 1348 1 3 . 1 1 78 78 ASN CA C 403 52.485 52.485 53.029 -0.544 17685 1349 1 3 . 1 1 78 78 ASN CB C 403 37.659 37.659 39.139 -1.480 17685 1350 1 3 . 1 1 78 78 ASN H H 403 7.397 7.397 7.933 -0.536 17685 1351 1 3 . 1 1 79 79 ALA N N 404 131.057 131.057 125.662 5.395 17685 1352 1 3 . 1 1 79 79 ALA HA H 404 4.160 4.160 4.251 -0.091 17685 1353 1 3 . 1 1 79 79 ALA C C 404 180.575 180.575 179.045 1.530 17685 1354 1 3 . 1 1 79 79 ALA CA C 404 56.271 56.271 54.885 1.386 17685 1355 1 3 . 1 1 79 79 ALA CB C 404 18.357 18.357 18.826 -0.469 17685 1356 1 3 . 1 1 79 79 ALA H H 404 9.143 9.143 8.661 0.482 17685 1357 1 3 . 1 1 80 80 ALA N N 405 117.862 117.862 119.210 -1.348 17685 1358 1 3 . 1 1 80 80 ALA HA H 405 4.362 4.362 4.270 0.092 17685 1359 1 3 . 1 1 80 80 ALA C C 405 179.218 179.218 178.778 0.440 17685 1360 1 3 . 1 1 80 80 ALA CA C 405 53.931 53.931 53.770 0.161 17685 1361 1 3 . 1 1 80 80 ALA CB C 405 18.226 18.226 18.560 -0.334 17685 1362 1 3 . 1 1 80 80 ALA H H 405 8.315 8.315 8.326 -0.011 17685 1363 1 3 . 1 1 81 81 GLY N N 406 106.895 106.895 105.307 1.588 17685 1364 1 3 . 1 1 81 81 GLY C C 406 175.175 175.175 174.496 0.679 17685 1365 1 3 . 1 1 81 81 GLY CA C 406 45.363 45.363 43.897 1.466 17685 1366 1 3 . 1 1 81 81 GLY H H 406 7.908 7.908 7.393 0.515 17685 1367 1 3 . 1 1 82 82 ALA N N 407 120.775 120.775 124.503 -3.728 17685 1368 1 3 . 1 1 82 82 ALA HA H 407 3.971 3.971 4.044 -0.073 17685 1369 1 3 . 1 1 82 82 ALA C C 407 177.879 177.879 178.887 -1.008 17685 1370 1 3 . 1 1 82 82 ALA CA C 407 56.076 56.076 55.391 0.686 17685 1371 1 3 . 1 1 82 82 ALA CB C 407 19.120 19.120 18.913 0.207 17685 1372 1 3 . 1 1 82 82 ALA H H 407 7.574 7.574 7.803 -0.229 17685 1373 1 3 . 1 1 83 83 LYS N N 408 117.628 117.628 117.109 0.519 17685 1374 1 3 . 1 1 83 83 LYS HA H 408 3.352 3.352 4.082 -0.730 17685 1375 1 3 . 1 1 83 83 LYS C C 408 178.064 178.064 178.489 -0.425 17685 1376 1 3 . 1 1 83 83 LYS CA C 408 61.404 61.404 59.935 1.468 17685 1377 1 3 . 1 1 83 83 LYS CB C 408 31.311 31.311 31.935 -0.624 17685 1378 1 3 . 1 1 83 83 LYS H H 408 8.755 8.755 8.542 0.213 17685 1379 1 3 . 1 1 84 84 GLU N N 409 116.005 116.005 118.363 -2.358 17685 1380 1 3 . 1 1 84 84 GLU HA H 409 3.994 3.994 4.104 -0.110 17685 1381 1 3 . 1 1 84 84 GLU C C 409 179.508 179.508 178.288 1.220 17685 1382 1 3 . 1 1 84 84 GLU CA C 409 59.300 59.300 59.105 0.195 17685 1383 1 3 . 1 1 84 84 GLU CB C 409 28.978 28.978 28.464 0.514 17685 1384 1 3 . 1 1 84 84 GLU H H 409 7.708 7.708 7.649 0.059 17685 1385 1 3 . 1 1 85 85 VAL N N 410 120.216 120.216 119.767 0.449 17685 1386 1 3 . 1 1 85 85 VAL HA H 410 3.786 3.786 3.791 -0.005 17685 1387 1 3 . 1 1 85 85 VAL C C 410 179.087 179.087 177.678 1.409 17685 1388 1 3 . 1 1 85 85 VAL CA C 410 66.066 66.066 65.821 0.245 17685 1389 1 3 . 1 1 85 85 VAL CB C 410 32.060 32.060 31.856 0.204 17685 1390 1 3 . 1 1 85 85 VAL H H 410 7.494 7.494 7.115 0.379 17685 1391 1 3 . 1 1 86 86 LEU N N 411 121.293 121.293 120.617 0.676 17685 1392 1 3 . 1 1 86 86 LEU HA H 411 3.871 3.871 4.006 -0.135 17685 1393 1 3 . 1 1 86 86 LEU C C 411 178.844 178.844 179.439 -0.595 17685 1394 1 3 . 1 1 86 86 LEU CA C 411 58.100 58.100 57.863 0.237 17685 1395 1 3 . 1 1 86 86 LEU CB C 411 42.047 42.047 40.654 1.393 17685 1396 1 3 . 1 1 86 86 LEU H H 411 8.371 8.371 8.416 -0.045 17685 1397 1 3 . 1 1 87 87 LYS N N 412 119.536 119.536 118.999 0.537 17685 1398 1 3 . 1 1 87 87 LYS HA H 412 4.206 4.206 4.375 -0.169 17685 1399 1 3 . 1 1 87 87 LYS C C 412 179.347 179.347 179.128 0.219 17685 1400 1 3 . 1 1 87 87 LYS CA C 412 60.924 60.924 59.422 1.502 17685 1401 1 3 . 1 1 87 87 LYS CB C 412 32.216 32.216 32.177 0.039 17685 1402 1 3 . 1 1 87 87 LYS H H 412 8.818 8.818 8.500 0.318 17685 1403 1 3 . 1 1 88 88 GLU N N 413 120.780 120.780 120.818 -0.038 17685 1404 1 3 . 1 1 88 88 GLU HA H 413 4.127 4.127 4.039 0.088 17685 1405 1 3 . 1 1 88 88 GLU C C 413 179.469 179.469 178.761 0.708 17685 1406 1 3 . 1 1 88 88 GLU CA C 413 59.720 59.720 59.719 0.001 17685 1407 1 3 . 1 1 88 88 GLU CB C 413 29.021 29.021 29.493 -0.472 17685 1408 1 3 . 1 1 88 88 GLU H H 413 7.882 7.882 7.998 -0.116 17685 1409 1 3 . 1 1 89 89 SER N N 414 116.823 116.823 115.915 0.908 17685 1410 1 3 . 1 1 89 89 SER HA H 414 3.765 3.765 4.180 -0.415 17685 1411 1 3 . 1 1 89 89 SER C C 414 176.091 176.091 176.867 -0.776 17685 1412 1 3 . 1 1 89 89 SER CA C 414 63.550 63.550 61.319 2.231 17685 1413 1 3 . 1 1 89 89 SER CB C 414 63.718 63.718 62.920 0.797 17685 1414 1 3 . 1 1 89 89 SER H H 414 8.296 8.296 7.753 0.543 17685 1415 1 3 . 1 1 90 90 ALA N N 415 123.230 123.230 125.484 -2.254 17685 1416 1 3 . 1 1 90 90 ALA HA H 415 3.831 3.831 3.896 -0.065 17685 1417 1 3 . 1 1 90 90 ALA C C 415 177.963 177.963 179.269 -1.306 17685 1418 1 3 . 1 1 90 90 ALA CA C 415 55.415 55.415 55.196 0.219 17685 1419 1 3 . 1 1 90 90 ALA CB C 415 19.432 19.432 18.338 1.094 17685 1420 1 3 . 1 1 90 90 ALA H H 415 8.805 8.805 8.218 0.587 17685 1421 1 3 . 1 1 91 91 LYS N N 416 117.753 117.753 118.325 -0.572 17685 1422 1 3 . 1 1 91 91 LYS HA H 416 3.972 3.972 4.085 -0.113 17685 1423 1 3 . 1 1 91 91 LYS C C 416 178.198 178.198 179.057 -0.859 17685 1424 1 3 . 1 1 91 91 LYS CA C 416 59.817 59.817 58.946 0.871 17685 1425 1 3 . 1 1 91 91 LYS CB C 416 32.247 32.247 32.040 0.207 17685 1426 1 3 . 1 1 91 91 LYS H H 416 8.085 8.085 8.122 -0.037 17685 1427 1 3 . 1 1 92 92 THR N N 417 114.597 114.597 117.060 -2.463 17685 1428 1 3 . 1 1 92 92 THR HA H 417 4.075 4.075 4.070 0.005 17685 1429 1 3 . 1 1 92 92 THR C C 417 177.541 177.541 176.579 0.962 17685 1430 1 3 . 1 1 92 92 THR CA C 417 66.473 66.473 66.917 -0.444 17685 1431 1 3 . 1 1 92 92 THR CB C 417 69.070 69.070 68.409 0.661 17685 1432 1 3 . 1 1 92 92 THR H H 417 7.923 7.923 7.848 0.075 17685 1433 1 3 . 1 1 93 93 ILE N N 418 124.160 124.160 122.463 1.697 17685 1434 1 3 . 1 1 93 93 ILE HA H 418 3.662 3.662 3.609 0.053 17685 1435 1 3 . 1 1 93 93 ILE C C 418 178.114 178.114 177.520 0.594 17685 1436 1 3 . 1 1 93 93 ILE CA C 418 65.626 65.626 65.898 -0.272 17685 1437 1 3 . 1 1 93 93 ILE CB C 418 38.297 38.297 37.570 0.727 17685 1438 1 3 . 1 1 93 93 ILE H H 418 7.984 7.984 8.320 -0.336 17685 1439 1 3 . 1 1 94 94 VAL N N 419 121.566 121.566 120.154 1.412 17685 1440 1 3 . 1 1 94 94 VAL HA H 419 4.156 4.156 4.135 0.021 17685 1441 1 3 . 1 1 94 94 VAL C C 419 181.424 181.424 179.500 1.924 17685 1442 1 3 . 1 1 94 94 VAL CA C 419 65.808 65.808 65.540 0.268 17685 1443 1 3 . 1 1 94 94 VAL CB C 419 31.892 31.892 31.006 0.886 17685 1444 1 3 . 1 1 94 94 VAL H H 419 8.551 8.551 8.065 0.486 17685 1445 1 3 . 1 1 95 95 ASP N N 420 123.788 123.788 121.905 1.883 17685 1446 1 3 . 1 1 95 95 ASP HA H 420 4.477 4.477 4.443 0.034 17685 1447 1 3 . 1 1 95 95 ASP C C 420 178.220 178.220 177.958 0.262 17685 1448 1 3 . 1 1 95 95 ASP CA C 420 57.548 57.548 56.826 0.722 17685 1449 1 3 . 1 1 95 95 ASP CB C 420 39.850 39.850 40.890 -1.040 17685 1450 1 3 . 1 1 95 95 ASP H H 420 9.354 9.354 8.443 0.911 17685 1451 1 3 . 1 1 96 96 SER N N 421 111.960 111.960 112.457 -0.497 17685 1452 1 3 . 1 1 96 96 SER HA H 421 4.526 4.526 4.532 -0.006 17685 1453 1 3 . 1 1 96 96 SER C C 421 175.345 175.345 174.509 0.836 17685 1454 1 3 . 1 1 96 96 SER CA C 421 59.433 59.433 58.658 0.775 17685 1455 1 3 . 1 1 96 96 SER CB C 421 64.264 64.264 63.797 0.467 17685 1456 1 3 . 1 1 96 96 SER H H 421 7.862 7.862 7.803 0.059 17685 1457 1 3 . 1 1 97 97 GLY N N 422 110.240 110.240 109.183 1.057 17685 1458 1 3 . 1 1 97 97 GLY C C 422 175.158 175.158 175.153 0.005 17685 1459 1 3 . 1 1 97 97 GLY CA C 422 45.606 45.606 46.061 -0.455 17685 1460 1 3 . 1 1 97 97 GLY H H 422 8.063 8.063 7.911 0.152 17685 1461 1 3 . 1 1 98 98 LYS N N 423 120.213 120.213 119.546 0.667 17685 1462 1 3 . 1 1 98 98 LYS HA H 423 4.083 4.083 4.129 -0.046 17685 1463 1 3 . 1 1 98 98 LYS C C 423 176.681 176.681 176.330 0.351 17685 1464 1 3 . 1 1 98 98 LYS CA C 423 59.417 59.417 57.967 1.450 17685 1465 1 3 . 1 1 98 98 LYS CB C 423 33.453 33.453 33.255 0.198 17685 1466 1 3 . 1 1 98 98 LYS H H 423 7.992 7.992 8.102 -0.110 17685 1467 1 3 . 1 1 99 99 LEU N N 424 114.357 114.357 118.891 -4.534 17685 1468 1 3 . 1 1 99 99 LEU HA H 424 4.848 4.848 4.827 0.021 17685 1469 1 3 . 1 1 99 99 LEU C C 424 174.161 174.161 173.860 0.301 17685 1470 1 3 . 1 1 99 99 LEU CA C 424 52.225 52.225 51.492 0.733 17685 1471 1 3 . 1 1 99 99 LEU CB C 424 46.075 46.075 44.626 1.449 17685 1472 1 3 . 1 1 99 99 LEU H H 424 6.865 6.865 7.393 -0.528 17685 1473 1 3 . 1 1 100 100 PRO HA H 425 4.650 4.650 4.715 -0.065 17685 1474 1 3 . 1 1 100 100 PRO C C 425 177.559 177.559 177.999 -0.440 17685 1475 1 3 . 1 1 100 100 PRO CA C 425 61.643 61.643 62.626 -0.983 17685 1476 1 3 . 1 1 100 100 PRO CB C 425 32.422 32.422 32.295 0.127 17685 1477 1 3 . 1 1 101 101 SER N N 426 117.043 117.043 118.585 -1.542 17685 1478 1 3 . 1 1 101 101 SER HA H 426 3.824 3.824 4.069 -0.245 17685 1479 1 3 . 1 1 101 101 SER C C 426 177.202 177.202 176.226 0.976 17685 1480 1 3 . 1 1 101 101 SER CA C 426 61.708 61.708 61.663 0.045 17685 1481 1 3 . 1 1 101 101 SER CB C 426 62.706 62.706 62.342 0.364 17685 1482 1 3 . 1 1 101 101 SER H H 426 8.999 8.999 8.651 0.348 17685 1483 1 3 . 1 1 102 102 SER N N 427 114.761 114.761 116.490 -1.729 17685 1484 1 3 . 1 1 102 102 SER HA H 427 4.112 4.112 4.381 -0.269 17685 1485 1 3 . 1 1 102 102 SER C C 427 176.526 176.526 175.505 1.021 17685 1486 1 3 . 1 1 102 102 SER CA C 427 60.650 60.650 60.769 -0.119 17685 1487 1 3 . 1 1 102 102 SER CB C 427 62.213 62.213 62.729 -0.516 17685 1488 1 3 . 1 1 102 102 SER H H 427 8.115 8.115 8.336 -0.221 17685 1489 1 3 . 1 1 103 103 LEU N N 428 120.408 120.408 119.018 1.390 17685 1490 1 3 . 1 1 103 103 LEU HA H 428 4.435 4.435 4.237 0.198 17685 1491 1 3 . 1 1 103 103 LEU C C 428 176.698 176.698 177.103 -0.405 17685 1492 1 3 . 1 1 103 103 LEU CA C 428 55.847 55.847 55.638 0.209 17685 1493 1 3 . 1 1 103 103 LEU CB C 428 42.586 42.586 41.781 0.805 17685 1494 1 3 . 1 1 103 103 LEU H H 428 7.320 7.320 7.545 -0.225 17685 1495 1 3 . 1 1 104 104 LEU N N 429 117.860 117.860 115.942 1.918 17685 1496 1 3 . 1 1 104 104 LEU HA H 429 4.995 4.995 4.603 0.392 17685 1497 1 3 . 1 1 104 104 LEU C C 429 178.320 178.320 178.141 0.179 17685 1498 1 3 . 1 1 104 104 LEU CA C 429 52.672 52.672 56.005 -3.333 17685 1499 1 3 . 1 1 104 104 LEU CB C 429 43.039 43.039 43.711 -0.672 17685 1500 1 3 . 1 1 104 104 LEU H H 429 7.325 7.325 7.606 -0.281 17685 1501 1 3 . 1 1 105 105 SER N N 430 112.664 112.664 114.843 -2.179 17685 1502 1 3 . 1 1 105 105 SER HA H 430 4.259 4.259 3.982 0.277 17685 1503 1 3 . 1 1 105 105 SER C C 430 175.288 175.288 176.451 -1.163 17685 1504 1 3 . 1 1 105 105 SER CA C 430 61.247 61.247 61.294 -0.047 17685 1505 1 3 . 1 1 105 105 SER CB C 430 64.058 64.058 60.727 3.331 17685 1506 1 3 . 1 1 105 105 SER H H 430 6.990 6.990 8.841 -1.851 17685 1507 1 3 . 1 1 106 106 TYR N N 431 125.624 125.624 124.765 0.859 17685 1508 1 3 . 1 1 106 106 TYR HA H 431 4.060 4.060 4.081 -0.021 17685 1509 1 3 . 1 1 106 106 TYR C C 431 176.064 176.064 175.080 0.984 17685 1510 1 3 . 1 1 106 106 TYR CA C 431 61.449 61.449 61.205 0.244 17685 1511 1 3 . 1 1 106 106 TYR CB C 431 38.282 38.282 38.545 -0.263 17685 1512 1 3 . 1 1 106 106 TYR H H 431 10.433 10.433 8.274 2.159 17685 1513 1 3 . 1 1 107 107 PHE N N 432 113.203 113.203 112.614 0.589 17685 1514 1 3 . 1 1 107 107 PHE HA H 432 4.314 4.314 4.553 -0.239 17685 1515 1 3 . 1 1 107 107 PHE C C 432 173.901 173.901 174.489 -0.588 17685 1516 1 3 . 1 1 107 107 PHE CA C 432 59.810 59.810 58.164 1.645 17685 1517 1 3 . 1 1 107 107 PHE CB C 432 43.249 43.249 39.129 4.120 17685 1518 1 3 . 1 1 107 107 PHE H H 432 7.955 7.955 8.060 -0.105 17685 1519 1 4 . 1 1 22 22 SER N N 347 116.741 116.741 120.102 -3.361 17685 1520 1 4 . 1 1 22 22 SER HA H 347 4.355 4.355 4.308 0.047 17685 1521 1 4 . 1 1 22 22 SER C C 347 176.272 176.272 176.446 -0.174 17685 1522 1 4 . 1 1 22 22 SER CA C 347 59.651 59.651 60.251 -0.600 17685 1523 1 4 . 1 1 22 22 SER CB C 347 63.231 63.231 63.481 -0.250 17685 1524 1 4 . 1 1 22 22 SER H H 347 8.311 8.311 8.691 -0.380 17685 1525 1 4 . 1 1 23 23 LYS N N 348 124.398 124.398 121.430 2.968 17685 1526 1 4 . 1 1 23 23 LYS HA H 348 4.142 4.142 4.209 -0.067 17685 1527 1 4 . 1 1 23 23 LYS C C 348 178.743 178.743 178.697 0.046 17685 1528 1 4 . 1 1 23 23 LYS CA C 348 59.304 59.304 58.357 0.947 17685 1529 1 4 . 1 1 23 23 LYS CB C 348 32.301 32.301 31.888 0.413 17685 1530 1 4 . 1 1 23 23 LYS H H 348 8.611 8.611 8.306 0.305 17685 1531 1 4 . 1 1 24 24 ALA N N 349 122.494 122.494 121.631 0.863 17685 1532 1 4 . 1 1 24 24 ALA HA H 349 4.137 4.137 4.229 -0.092 17685 1533 1 4 . 1 1 24 24 ALA C C 349 179.869 179.869 179.453 0.416 17685 1534 1 4 . 1 1 24 24 ALA CA C 349 54.811 54.811 54.673 0.138 17685 1535 1 4 . 1 1 24 24 ALA CB C 349 18.284 18.284 18.110 0.174 17685 1536 1 4 . 1 1 24 24 ALA H H 349 8.245 8.245 8.097 0.148 17685 1537 1 4 . 1 1 25 25 ALA N N 350 121.576 121.576 120.790 0.786 17685 1538 1 4 . 1 1 25 25 ALA HA H 350 4.136 4.136 3.897 0.239 17685 1539 1 4 . 1 1 25 25 ALA C C 350 178.743 178.743 179.500 -0.757 17685 1540 1 4 . 1 1 25 25 ALA CA C 350 54.632 54.632 55.162 -0.530 17685 1541 1 4 . 1 1 25 25 ALA CB C 350 18.299 18.299 18.200 0.099 17685 1542 1 4 . 1 1 25 25 ALA H H 350 8.014 8.014 8.116 -0.102 17685 1543 1 4 . 1 1 26 26 LYS N N 351 119.618 119.618 118.448 1.170 17685 1544 1 4 . 1 1 26 26 LYS HA H 351 4.196 4.196 3.925 0.271 17685 1545 1 4 . 1 1 26 26 LYS C C 351 178.485 178.485 178.872 -0.387 17685 1546 1 4 . 1 1 26 26 LYS CA C 351 60.014 60.014 59.772 0.242 17685 1547 1 4 . 1 1 26 26 LYS CB C 351 32.511 32.511 32.204 0.307 17685 1548 1 4 . 1 1 26 26 LYS H H 351 7.831 7.831 7.583 0.248 17685 1549 1 4 . 1 1 27 27 LYS N N 352 118.080 118.080 119.432 -1.352 17685 1550 1 4 . 1 1 27 27 LYS HA H 352 3.958 3.958 4.011 -0.053 17685 1551 1 4 . 1 1 27 27 LYS C C 352 179.564 179.564 178.873 0.691 17685 1552 1 4 . 1 1 27 27 LYS CA C 352 60.092 60.092 59.335 0.757 17685 1553 1 4 . 1 1 27 27 LYS CB C 352 32.550 32.550 32.507 0.043 17685 1554 1 4 . 1 1 27 27 LYS H H 352 7.905 7.905 7.422 0.483 17685 1555 1 4 . 1 1 28 28 LYS N N 353 119.878 119.878 119.441 0.437 17685 1556 1 4 . 1 1 28 28 LYS HA H 353 4.023 4.023 3.996 0.027 17685 1557 1 4 . 1 1 28 28 LYS C C 353 179.270 179.270 179.170 0.100 17685 1558 1 4 . 1 1 28 28 LYS CA C 353 59.806 59.806 58.971 0.835 17685 1559 1 4 . 1 1 28 28 LYS CB C 353 32.324 32.324 32.067 0.257 17685 1560 1 4 . 1 1 28 28 LYS H H 353 7.934 7.934 8.394 -0.460 17685 1561 1 4 . 1 1 29 29 ASN N N 354 119.780 119.780 117.404 2.376 17685 1562 1 4 . 1 1 29 29 ASN HA H 354 4.557 4.557 4.435 0.122 17685 1563 1 4 . 1 1 29 29 ASN C C 354 177.395 177.395 177.565 -0.170 17685 1564 1 4 . 1 1 29 29 ASN CA C 354 56.167 56.167 55.819 0.348 17685 1565 1 4 . 1 1 29 29 ASN CB C 354 37.928 37.928 38.031 -0.103 17685 1566 1 4 . 1 1 29 29 ASN H H 354 8.524 8.524 8.452 0.072 17685 1567 1 4 . 1 1 30 30 LYS N N 355 118.850 118.850 119.944 -1.094 17685 1568 1 4 . 1 1 30 30 LYS HA H 355 3.820 3.820 3.923 -0.103 17685 1569 1 4 . 1 1 30 30 LYS C C 355 178.266 178.266 178.978 -0.712 17685 1570 1 4 . 1 1 30 30 LYS CA C 355 61.698 61.698 59.909 1.789 17685 1571 1 4 . 1 1 30 30 LYS CB C 355 33.000 33.000 32.184 0.816 17685 1572 1 4 . 1 1 30 30 LYS H H 355 8.599 8.599 7.659 0.940 17685 1573 1 4 . 1 1 31 31 ARG N N 356 118.226 118.226 119.466 -1.240 17685 1574 1 4 . 1 1 31 31 ARG HA H 356 3.940 3.940 4.116 -0.176 17685 1575 1 4 . 1 1 31 31 ARG C C 356 177.676 177.676 178.296 -0.620 17685 1576 1 4 . 1 1 31 31 ARG CA C 356 59.316 59.316 58.868 0.448 17685 1577 1 4 . 1 1 31 31 ARG CB C 356 30.266 30.266 30.338 -0.072 17685 1578 1 4 . 1 1 31 31 ARG H H 356 7.809 7.809 7.574 0.235 17685 1579 1 4 . 1 1 32 32 ALA N N 357 120.780 120.780 123.054 -2.274 17685 1580 1 4 . 1 1 32 32 ALA HA H 357 4.104 4.104 4.076 0.028 17685 1581 1 4 . 1 1 32 32 ALA C C 357 181.157 181.157 180.010 1.147 17685 1582 1 4 . 1 1 32 32 ALA CA C 357 55.118 55.118 55.040 0.078 17685 1583 1 4 . 1 1 32 32 ALA CB C 357 18.064 18.064 18.269 -0.205 17685 1584 1 4 . 1 1 32 32 ALA H H 357 8.155 8.155 8.247 -0.092 17685 1585 1 4 . 1 1 33 33 ILE N N 358 116.468 116.468 116.852 -0.384 17685 1586 1 4 . 1 1 33 33 ILE HA H 358 3.590 3.590 3.706 -0.116 17685 1587 1 4 . 1 1 33 33 ILE C C 358 179.458 179.458 177.939 1.519 17685 1588 1 4 . 1 1 33 33 ILE CA C 358 65.775 65.775 63.166 2.609 17685 1589 1 4 . 1 1 33 33 ILE CB C 358 38.592 38.592 36.685 1.907 17685 1590 1 4 . 1 1 33 33 ILE H H 358 7.929 7.929 8.454 -0.525 17685 1591 1 4 . 1 1 34 34 ARG N N 359 119.937 119.937 119.676 0.261 17685 1592 1 4 . 1 1 34 34 ARG HA H 359 3.998 3.998 4.010 -0.012 17685 1593 1 4 . 1 1 34 34 ARG C C 359 179.124 179.124 179.103 0.021 17685 1594 1 4 . 1 1 34 34 ARG CA C 359 60.029 60.029 59.686 0.343 17685 1595 1 4 . 1 1 34 34 ARG CB C 359 30.576 30.576 29.759 0.817 17685 1596 1 4 . 1 1 34 34 ARG H H 359 8.672 8.672 7.492 1.180 17685 1597 1 4 . 1 1 35 35 ASN N N 360 116.359 116.359 117.996 -1.637 17685 1598 1 4 . 1 1 35 35 ASN HA H 360 4.575 4.575 4.456 0.119 17685 1599 1 4 . 1 1 35 35 ASN C C 360 175.723 175.723 176.426 -0.703 17685 1600 1 4 . 1 1 35 35 ASN CA C 360 54.215 54.215 56.149 -1.934 17685 1601 1 4 . 1 1 35 35 ASN CB C 360 38.575 38.575 38.418 0.157 17685 1602 1 4 . 1 1 35 35 ASN H H 360 8.454 8.454 7.970 0.484 17685 1603 1 4 . 1 1 36 36 SER N N 361 115.734 115.734 116.243 -0.509 17685 1604 1 4 . 1 1 36 36 SER HA H 361 3.995 3.995 4.162 -0.167 17685 1605 1 4 . 1 1 36 36 SER C C 361 176.129 176.129 175.828 0.301 17685 1606 1 4 . 1 1 36 36 SER CA C 361 62.349 62.349 61.961 0.388 17685 1607 1 4 . 1 1 36 36 SER CB C 361 63.664 63.664 62.846 0.818 17685 1608 1 4 . 1 1 36 36 SER H H 361 7.617 7.617 7.603 0.014 17685 1609 1 4 . 1 1 37 37 ALA N N 362 124.421 124.421 123.629 0.792 17685 1610 1 4 . 1 1 37 37 ALA HA H 362 3.770 3.770 3.792 -0.022 17685 1611 1 4 . 1 1 37 37 ALA C C 362 178.482 178.482 178.079 0.403 17685 1612 1 4 . 1 1 37 37 ALA CA C 362 54.821 54.821 54.040 0.781 17685 1613 1 4 . 1 1 37 37 ALA CB C 362 18.347 18.347 17.828 0.519 17685 1614 1 4 . 1 1 37 37 ALA H H 362 6.868 6.868 7.622 -0.754 17685 1615 1 4 . 1 1 38 38 LYS N N 363 122.319 122.319 117.575 4.744 17685 1616 1 4 . 1 1 38 38 LYS HA H 363 2.913 2.913 4.076 -1.163 17685 1617 1 4 . 1 1 38 38 LYS C C 363 180.669 180.669 179.501 1.168 17685 1618 1 4 . 1 1 38 38 LYS CA C 363 59.567 59.567 58.477 1.090 17685 1619 1 4 . 1 1 38 38 LYS CB C 363 31.563 31.563 32.177 -0.614 17685 1620 1 4 . 1 1 38 38 LYS H H 363 8.317 8.317 7.551 0.766 17685 1621 1 4 . 1 1 39 39 GLU N N 364 118.666 118.666 118.300 0.366 17685 1622 1 4 . 1 1 39 39 GLU HA H 364 4.015 4.015 4.211 -0.196 17685 1623 1 4 . 1 1 39 39 GLU C C 364 176.609 176.609 177.516 -0.907 17685 1624 1 4 . 1 1 39 39 GLU CA C 364 58.674 58.674 58.276 0.398 17685 1625 1 4 . 1 1 39 39 GLU CB C 364 29.058 29.058 30.089 -1.031 17685 1626 1 4 . 1 1 39 39 GLU H H 364 7.935 7.935 8.133 -0.198 17685 1627 1 4 . 1 1 40 40 ALA N N 365 121.145 121.145 119.748 1.397 17685 1628 1 4 . 1 1 40 40 ALA HA H 365 4.663 4.663 4.652 0.011 17685 1629 1 4 . 1 1 40 40 ALA C C 365 177.688 177.688 175.431 2.257 17685 1630 1 4 . 1 1 40 40 ALA CA C 365 50.931 50.931 51.047 -0.117 17685 1631 1 4 . 1 1 40 40 ALA CB C 365 18.566 18.566 19.854 -1.288 17685 1632 1 4 . 1 1 40 40 ALA H H 365 7.049 7.049 8.049 -1.000 17685 1633 1 4 . 1 1 41 41 ASP N N 366 121.103 121.103 115.890 5.213 17685 1634 1 4 . 1 1 41 41 ASP HA H 366 4.338 4.338 4.263 0.075 17685 1635 1 4 . 1 1 41 41 ASP C C 366 175.644 175.644 175.087 0.557 17685 1636 1 4 . 1 1 41 41 ASP CA C 366 55.898 55.898 54.729 1.169 17685 1637 1 4 . 1 1 41 41 ASP CB C 366 39.353 39.353 40.874 -1.521 17685 1638 1 4 . 1 1 41 41 ASP H H 366 8.099 8.099 7.081 1.018 17685 1639 1 4 . 1 1 42 42 TYR N N 367 110.700 110.700 120.714 -10.014 17685 1640 1 4 . 1 1 42 42 TYR HA H 367 2.485 2.485 3.920 -1.435 17685 1641 1 4 . 1 1 42 42 TYR C C 367 174.307 174.307 175.561 -1.254 17685 1642 1 4 . 1 1 42 42 TYR CA C 367 61.064 61.064 58.751 2.313 17685 1643 1 4 . 1 1 42 42 TYR CB C 367 34.242 34.242 37.858 -3.616 17685 1644 1 4 . 1 1 42 42 TYR H H 367 8.364 8.364 8.689 -0.325 17685 1645 1 4 . 1 1 43 43 PHE N N 368 111.305 111.305 115.680 -4.375 17685 1646 1 4 . 1 1 43 43 PHE HA H 368 4.666 4.666 4.189 0.477 17685 1647 1 4 . 1 1 43 43 PHE C C 368 177.162 177.162 176.727 0.435 17685 1648 1 4 . 1 1 43 43 PHE CA C 368 56.561 56.561 58.376 -1.815 17685 1649 1 4 . 1 1 43 43 PHE CB C 368 36.514 36.514 36.239 0.275 17685 1650 1 4 . 1 1 43 43 PHE H H 368 7.666 7.666 7.285 0.381 17685 1651 1 4 . 1 1 44 44 GLY N N 369 106.300 106.300 106.509 -0.209 17685 1652 1 4 . 1 1 44 44 GLY C C 369 174.446 174.446 174.275 0.171 17685 1653 1 4 . 1 1 44 44 GLY CA C 369 45.780 45.780 45.226 0.554 17685 1654 1 4 . 1 1 44 44 GLY H H 369 7.671 7.671 8.746 -1.075 17685 1655 1 4 . 1 1 45 45 ASP N N 370 122.876 122.876 121.126 1.750 17685 1656 1 4 . 1 1 45 45 ASP HA H 370 5.323 5.323 4.994 0.329 17685 1657 1 4 . 1 1 45 45 ASP C C 370 176.360 176.360 176.472 -0.112 17685 1658 1 4 . 1 1 45 45 ASP CA C 370 53.322 53.322 53.027 0.295 17685 1659 1 4 . 1 1 45 45 ASP CB C 370 41.391 41.391 41.437 -0.046 17685 1660 1 4 . 1 1 45 45 ASP H H 370 8.331 8.331 7.949 0.382 17685 1661 1 4 . 1 1 46 46 ALA N N 371 121.771 121.771 123.374 -1.603 17685 1662 1 4 . 1 1 46 46 ALA HA H 371 3.600 3.600 3.803 -0.203 17685 1663 1 4 . 1 1 46 46 ALA C C 371 179.111 179.111 179.157 -0.046 17685 1664 1 4 . 1 1 46 46 ALA CA C 371 56.038 56.038 54.587 1.451 17685 1665 1 4 . 1 1 46 46 ALA CB C 371 17.942 17.942 18.550 -0.608 17685 1666 1 4 . 1 1 46 46 ALA H H 371 8.282 8.282 8.433 -0.151 17685 1667 1 4 . 1 1 47 47 ASP N N 372 116.273 116.273 118.495 -2.222 17685 1668 1 4 . 1 1 47 47 ASP HA H 372 4.359 4.359 4.353 0.006 17685 1669 1 4 . 1 1 47 47 ASP C C 372 177.019 177.019 177.404 -0.385 17685 1670 1 4 . 1 1 47 47 ASP CA C 372 55.832 55.832 57.029 -1.197 17685 1671 1 4 . 1 1 47 47 ASP CB C 372 39.190 39.190 40.614 -1.424 17685 1672 1 4 . 1 1 47 47 ASP H H 372 9.068 9.068 8.805 0.263 17685 1673 1 4 . 1 1 48 48 LYS N N 373 120.180 120.180 115.735 4.445 17685 1674 1 4 . 1 1 48 48 LYS HA H 373 4.723 4.723 4.617 0.106 17685 1675 1 4 . 1 1 48 48 LYS C C 373 175.542 175.542 176.037 -0.495 17685 1676 1 4 . 1 1 48 48 LYS CA C 373 54.787 54.787 54.779 0.008 17685 1677 1 4 . 1 1 48 48 LYS CB C 373 32.179 32.179 31.641 0.538 17685 1678 1 4 . 1 1 48 48 LYS H H 373 8.050 8.050 7.696 0.354 17685 1679 1 4 . 1 1 49 49 ALA N N 374 122.498 122.498 123.845 -1.347 17685 1680 1 4 . 1 1 49 49 ALA HA H 374 3.068 3.068 4.039 -0.971 17685 1681 1 4 . 1 1 49 49 ALA C C 374 177.781 177.781 179.093 -1.312 17685 1682 1 4 . 1 1 49 49 ALA CA C 374 56.962 56.962 56.072 0.890 17685 1683 1 4 . 1 1 49 49 ALA CB C 374 17.855 17.855 18.137 -0.282 17685 1684 1 4 . 1 1 49 49 ALA H H 374 7.045 7.045 7.748 -0.703 17685 1685 1 4 . 1 1 50 50 THR N N 375 108.573 108.573 112.777 -4.204 17685 1686 1 4 . 1 1 50 50 THR HA H 375 4.044 4.044 3.999 0.045 17685 1687 1 4 . 1 1 50 50 THR C C 375 177.647 177.647 176.546 1.101 17685 1688 1 4 . 1 1 50 50 THR CA C 375 66.201 66.201 67.458 -1.257 17685 1689 1 4 . 1 1 50 50 THR CB C 375 68.334 68.334 68.160 0.174 17685 1690 1 4 . 1 1 50 50 THR H H 375 8.285 8.285 8.324 -0.039 17685 1691 1 4 . 1 1 51 51 THR N N 376 120.018 120.018 119.596 0.422 17685 1692 1 4 . 1 1 51 51 THR HA H 376 4.147 4.147 4.083 0.064 17685 1693 1 4 . 1 1 51 51 THR C C 376 175.499 175.499 176.430 -0.931 17685 1694 1 4 . 1 1 51 51 THR CA C 376 66.145 66.145 66.596 -0.451 17685 1695 1 4 . 1 1 51 51 THR CB C 376 69.382 69.382 68.541 0.841 17685 1696 1 4 . 1 1 51 51 THR H H 376 7.359 7.359 7.544 -0.185 17685 1697 1 4 . 1 1 52 52 ILE N N 377 122.319 122.319 122.509 -0.190 17685 1698 1 4 . 1 1 52 52 ILE HA H 377 3.168 3.168 3.873 -0.705 17685 1699 1 4 . 1 1 52 52 ILE C C 377 177.879 177.879 178.174 -0.295 17685 1700 1 4 . 1 1 52 52 ILE CA C 377 67.070 67.070 65.582 1.488 17685 1701 1 4 . 1 1 52 52 ILE CB C 377 38.257 38.257 37.646 0.611 17685 1702 1 4 . 1 1 52 52 ILE H H 377 8.346 8.346 8.576 -0.230 17685 1703 1 4 . 1 1 53 53 ASP N N 378 117.696 117.696 119.611 -1.915 17685 1704 1 4 . 1 1 53 53 ASP HA H 378 4.739 4.739 4.313 0.426 17685 1705 1 4 . 1 1 53 53 ASP C C 378 180.094 180.094 178.426 1.668 17685 1706 1 4 . 1 1 53 53 ASP CA C 378 58.044 58.044 58.046 -0.002 17685 1707 1 4 . 1 1 53 53 ASP CB C 378 39.648 39.648 40.903 -1.255 17685 1708 1 4 . 1 1 53 53 ASP H H 378 8.991 8.991 8.535 0.456 17685 1709 1 4 . 1 1 54 54 GLU N N 379 121.956 121.956 119.208 2.748 17685 1710 1 4 . 1 1 54 54 GLU HA H 379 4.174 4.174 4.073 0.101 17685 1711 1 4 . 1 1 54 54 GLU C C 379 179.679 179.679 179.112 0.567 17685 1712 1 4 . 1 1 54 54 GLU CA C 379 59.572 59.572 59.100 0.472 17685 1713 1 4 . 1 1 54 54 GLU CB C 379 29.324 29.324 29.651 -0.327 17685 1714 1 4 . 1 1 54 54 GLU H H 379 7.946 7.946 7.644 0.302 17685 1715 1 4 . 1 1 55 55 GLN N N 380 120.733 120.733 119.737 0.996 17685 1716 1 4 . 1 1 55 55 GLN HA H 380 4.171 4.171 4.088 0.083 17685 1717 1 4 . 1 1 55 55 GLN C C 380 178.288 178.288 178.689 -0.401 17685 1718 1 4 . 1 1 55 55 GLN CA C 380 59.994 59.994 59.184 0.809 17685 1719 1 4 . 1 1 55 55 GLN CB C 380 29.566 29.566 29.106 0.460 17685 1720 1 4 . 1 1 55 55 GLN H H 380 8.357 8.357 8.531 -0.174 17685 1721 1 4 . 1 1 56 56 VAL N N 381 120.353 120.353 118.952 1.401 17685 1722 1 4 . 1 1 56 56 VAL HA H 381 3.536 3.536 3.664 -0.128 17685 1723 1 4 . 1 1 56 56 VAL C C 381 178.220 178.220 178.196 0.024 17685 1724 1 4 . 1 1 56 56 VAL CA C 381 67.557 67.557 66.366 1.191 17685 1725 1 4 . 1 1 56 56 VAL CB C 381 31.349 31.349 30.755 0.594 17685 1726 1 4 . 1 1 56 56 VAL H H 381 9.484 9.484 8.416 1.068 17685 1727 1 4 . 1 1 57 57 GLY N N 382 106.926 106.926 107.941 -1.015 17685 1728 1 4 . 1 1 57 57 GLY C C 382 174.843 174.843 176.430 -1.587 17685 1729 1 4 . 1 1 57 57 GLY CA C 382 47.694 47.694 47.186 0.508 17685 1730 1 4 . 1 1 57 57 GLY H H 382 8.169 8.169 7.905 0.264 17685 1731 1 4 . 1 1 58 58 LEU N N 383 120.610 120.610 122.528 -1.918 17685 1732 1 4 . 1 1 58 58 LEU HA H 383 4.151 4.151 4.034 0.117 17685 1733 1 4 . 1 1 58 58 LEU C C 383 180.087 180.087 178.909 1.178 17685 1734 1 4 . 1 1 58 58 LEU CA C 383 57.974 57.974 57.493 0.481 17685 1735 1 4 . 1 1 58 58 LEU CB C 383 42.125 42.125 41.749 0.376 17685 1736 1 4 . 1 1 58 58 LEU H H 383 7.568 7.568 8.049 -0.481 17685 1737 1 4 . 1 1 59 59 ILE N N 384 120.213 120.213 119.841 0.372 17685 1738 1 4 . 1 1 59 59 ILE HA H 384 3.416 3.416 3.580 -0.164 17685 1739 1 4 . 1 1 59 59 ILE C C 384 178.310 178.310 178.049 0.261 17685 1740 1 4 . 1 1 59 59 ILE CA C 384 66.069 66.069 65.692 0.377 17685 1741 1 4 . 1 1 59 59 ILE CB C 384 38.233 38.233 37.777 0.456 17685 1742 1 4 . 1 1 59 59 ILE H H 384 8.057 8.057 7.836 0.221 17685 1743 1 4 . 1 1 60 60 VAL N N 385 115.546 115.546 114.149 1.397 17685 1744 1 4 . 1 1 60 60 VAL HA H 385 3.560 3.560 3.639 -0.079 17685 1745 1 4 . 1 1 60 60 VAL C C 385 177.921 177.921 176.625 1.296 17685 1746 1 4 . 1 1 60 60 VAL CA C 385 66.702 66.702 65.421 1.282 17685 1747 1 4 . 1 1 60 60 VAL CB C 385 31.565 31.565 31.742 -0.177 17685 1748 1 4 . 1 1 60 60 VAL H H 385 8.672 8.672 8.157 0.515 17685 1749 1 4 . 1 1 61 61 ASP N N 386 117.831 117.831 118.190 -0.359 17685 1750 1 4 . 1 1 61 61 ASP HA H 386 4.571 4.571 4.530 0.041 17685 1751 1 4 . 1 1 61 61 ASP C C 386 177.238 177.238 177.764 -0.526 17685 1752 1 4 . 1 1 61 61 ASP CA C 386 56.184 56.184 56.063 0.121 17685 1753 1 4 . 1 1 61 61 ASP CB C 386 40.632 40.632 41.635 -1.003 17685 1754 1 4 . 1 1 61 61 ASP H H 386 7.988 7.988 7.734 0.254 17685 1755 1 4 . 1 1 62 62 SER N N 387 114.761 114.761 115.133 -0.372 17685 1756 1 4 . 1 1 62 62 SER HA H 387 4.577 4.577 4.484 0.093 17685 1757 1 4 . 1 1 62 62 SER C C 387 173.645 173.645 174.119 -0.474 17685 1758 1 4 . 1 1 62 62 SER CA C 387 59.694 59.694 60.272 -0.578 17685 1759 1 4 . 1 1 62 62 SER CB C 387 64.588 64.588 63.864 0.724 17685 1760 1 4 . 1 1 62 62 SER H H 387 7.755 7.755 7.671 0.084 17685 1761 1 4 . 1 1 63 63 LEU N N 388 121.610 121.610 120.513 1.097 17685 1762 1 4 . 1 1 63 63 LEU HA H 388 4.506 4.506 4.323 0.183 17685 1763 1 4 . 1 1 63 63 LEU C C 388 177.071 177.071 174.792 2.279 17685 1764 1 4 . 1 1 63 63 LEU CA C 388 54.490 54.490 54.482 0.008 17685 1765 1 4 . 1 1 63 63 LEU CB C 388 42.414 42.414 43.112 -0.698 17685 1766 1 4 . 1 1 63 63 LEU H H 388 7.083 7.083 7.347 -0.264 17685 1767 1 4 . 1 1 64 64 ASN N N 389 122.154 122.154 116.704 5.450 17685 1768 1 4 . 1 1 64 64 ASN HA H 389 4.748 4.748 4.729 0.019 17685 1769 1 4 . 1 1 64 64 ASN C C 389 175.144 175.144 175.592 -0.448 17685 1770 1 4 . 1 1 64 64 ASN CA C 389 51.898 51.898 52.020 -0.123 17685 1771 1 4 . 1 1 64 64 ASN CB C 389 37.762 37.762 40.313 -2.551 17685 1772 1 4 . 1 1 64 64 ASN H H 389 9.587 9.587 8.090 1.497 17685 1773 1 4 . 1 1 65 65 ASP N N 390 116.882 116.882 119.013 -2.131 17685 1774 1 4 . 1 1 65 65 ASP HA H 390 4.288 4.288 4.242 0.046 17685 1775 1 4 . 1 1 65 65 ASP C C 390 178.601 178.601 177.949 0.652 17685 1776 1 4 . 1 1 65 65 ASP CA C 390 58.992 58.992 57.494 1.498 17685 1777 1 4 . 1 1 65 65 ASP CB C 390 40.168 40.168 40.535 -0.367 17685 1778 1 4 . 1 1 65 65 ASP H H 390 8.504 8.504 8.837 -0.333 17685 1779 1 4 . 1 1 66 66 GLU N N 391 119.807 119.807 118.788 1.019 17685 1780 1 4 . 1 1 66 66 GLU HA H 391 4.048 4.048 4.064 -0.016 17685 1781 1 4 . 1 1 66 66 GLU C C 391 179.549 179.549 179.118 0.431 17685 1782 1 4 . 1 1 66 66 GLU CA C 391 59.943 59.943 59.156 0.787 17685 1783 1 4 . 1 1 66 66 GLU CB C 391 29.119 29.119 29.407 -0.288 17685 1784 1 4 . 1 1 66 66 GLU H H 391 8.318 8.318 8.569 -0.251 17685 1785 1 4 . 1 1 67 67 GLU N N 392 121.747 121.747 119.251 2.496 17685 1786 1 4 . 1 1 67 67 GLU HA H 392 4.151 4.151 4.201 -0.050 17685 1787 1 4 . 1 1 67 67 GLU C C 392 180.544 180.544 179.045 1.499 17685 1788 1 4 . 1 1 67 67 GLU CA C 392 58.307 58.307 58.039 0.268 17685 1789 1 4 . 1 1 67 67 GLU CB C 392 30.933 30.933 29.331 1.603 17685 1790 1 4 . 1 1 67 67 GLU H H 392 8.709 8.709 7.813 0.896 17685 1791 1 4 . 1 1 68 68 LEU N N 393 123.523 123.523 121.153 2.370 17685 1792 1 4 . 1 1 68 68 LEU HA H 393 3.923 3.923 4.090 -0.167 17685 1793 1 4 . 1 1 68 68 LEU C C 393 178.151 178.151 179.529 -1.378 17685 1794 1 4 . 1 1 68 68 LEU CA C 393 58.642 58.642 57.918 0.724 17685 1795 1 4 . 1 1 68 68 LEU CB C 393 42.304 42.304 41.541 0.763 17685 1796 1 4 . 1 1 68 68 LEU H H 393 8.930 8.930 8.172 0.758 17685 1797 1 4 . 1 1 69 69 VAL N N 394 118.071 118.071 118.792 -0.721 17685 1798 1 4 . 1 1 69 69 VAL HA H 394 3.527 3.527 3.683 -0.156 17685 1799 1 4 . 1 1 69 69 VAL C C 394 177.701 177.701 177.345 0.356 17685 1800 1 4 . 1 1 69 69 VAL CA C 394 66.494 66.494 65.502 0.992 17685 1801 1 4 . 1 1 69 69 VAL CB C 394 32.103 32.103 30.949 1.154 17685 1802 1 4 . 1 1 69 69 VAL H H 394 7.304 7.304 7.580 -0.276 17685 1803 1 4 . 1 1 70 70 SER N N 395 112.686 112.686 116.071 -3.385 17685 1804 1 4 . 1 1 70 70 SER HA H 395 4.238 4.238 4.132 0.106 17685 1805 1 4 . 1 1 70 70 SER C C 395 177.618 177.618 176.727 0.891 17685 1806 1 4 . 1 1 70 70 SER CA C 395 61.410 61.410 62.176 -0.766 17685 1807 1 4 . 1 1 70 70 SER CB C 395 63.002 63.002 63.147 -0.145 17685 1808 1 4 . 1 1 70 70 SER H H 395 7.906 7.906 7.664 0.242 17685 1809 1 4 . 1 1 71 71 THR N N 396 118.003 118.003 114.783 3.220 17685 1810 1 4 . 1 1 71 71 THR HA H 396 3.767 3.767 3.888 -0.121 17685 1811 1 4 . 1 1 71 71 THR C C 396 175.404 175.404 176.437 -1.033 17685 1812 1 4 . 1 1 71 71 THR CA C 396 67.763 67.763 65.555 2.208 17685 1813 1 4 . 1 1 71 71 THR CB C 396 68.498 68.498 68.617 -0.119 17685 1814 1 4 . 1 1 71 71 THR H H 396 8.511 8.511 8.320 0.191 17685 1815 1 4 . 1 1 72 72 ALA N N 397 123.373 123.373 125.112 -1.739 17685 1816 1 4 . 1 1 72 72 ALA HA H 397 3.857 3.857 3.844 0.013 17685 1817 1 4 . 1 1 72 72 ALA C C 397 180.173 180.173 179.250 0.923 17685 1818 1 4 . 1 1 72 72 ALA CA C 397 56.079 56.079 55.254 0.825 17685 1819 1 4 . 1 1 72 72 ALA CB C 397 17.767 17.767 18.229 -0.462 17685 1820 1 4 . 1 1 72 72 ALA H H 397 8.268 8.268 8.003 0.265 17685 1821 1 4 . 1 1 73 73 ASP N N 398 118.963 118.963 119.088 -0.125 17685 1822 1 4 . 1 1 73 73 ASP HA H 398 4.382 4.382 4.297 0.085 17685 1823 1 4 . 1 1 73 73 ASP C C 398 179.471 179.471 178.935 0.536 17685 1824 1 4 . 1 1 73 73 ASP CA C 398 57.692 57.692 57.703 -0.011 17685 1825 1 4 . 1 1 73 73 ASP CB C 398 40.015 40.015 40.589 -0.574 17685 1826 1 4 . 1 1 73 73 ASP H H 398 8.585 8.585 8.475 0.110 17685 1827 1 4 . 1 1 74 74 LYS N N 399 120.591 120.591 119.532 1.059 17685 1828 1 4 . 1 1 74 74 LYS HA H 399 4.050 4.050 4.094 -0.044 17685 1829 1 4 . 1 1 74 74 LYS C C 399 180.082 180.082 179.239 0.843 17685 1830 1 4 . 1 1 74 74 LYS CA C 399 60.001 60.001 58.600 1.401 17685 1831 1 4 . 1 1 74 74 LYS CB C 399 34.080 34.080 32.110 1.970 17685 1832 1 4 . 1 1 74 74 LYS H H 399 8.003 8.003 7.755 0.248 17685 1833 1 4 . 1 1 75 75 ILE N N 400 120.602 120.602 119.956 0.646 17685 1834 1 4 . 1 1 75 75 ILE HA H 400 3.687 3.687 3.742 -0.055 17685 1835 1 4 . 1 1 75 75 ILE C C 400 177.770 177.770 177.904 -0.134 17685 1836 1 4 . 1 1 75 75 ILE CA C 400 64.860 64.860 64.637 0.223 17685 1837 1 4 . 1 1 75 75 ILE CB C 400 38.253 38.253 37.766 0.487 17685 1838 1 4 . 1 1 75 75 ILE H H 400 7.877 7.877 7.893 -0.016 17685 1839 1 4 . 1 1 76 76 LYS N N 401 120.036 120.036 119.475 0.561 17685 1840 1 4 . 1 1 76 76 LYS HA H 401 4.032 4.032 4.077 -0.045 17685 1841 1 4 . 1 1 76 76 LYS C C 401 178.423 178.423 178.906 -0.483 17685 1842 1 4 . 1 1 76 76 LYS CA C 401 58.735 58.735 58.799 -0.064 17685 1843 1 4 . 1 1 76 76 LYS CB C 401 32.325 32.325 31.752 0.573 17685 1844 1 4 . 1 1 76 76 LYS H H 401 8.260 8.260 7.994 0.266 17685 1845 1 4 . 1 1 77 77 ALA N N 402 118.655 118.655 119.659 -1.004 17685 1846 1 4 . 1 1 77 77 ALA HA H 402 4.205 4.205 4.389 -0.184 17685 1847 1 4 . 1 1 77 77 ALA C C 402 177.949 177.949 177.909 0.040 17685 1848 1 4 . 1 1 77 77 ALA CA C 402 53.673 53.673 53.352 0.321 17685 1849 1 4 . 1 1 77 77 ALA CB C 402 19.018 19.018 19.210 -0.192 17685 1850 1 4 . 1 1 77 77 ALA H H 402 7.564 7.564 7.792 -0.228 17685 1851 1 4 . 1 1 78 78 ASN N N 403 113.964 113.964 116.718 -2.754 17685 1852 1 4 . 1 1 78 78 ASN HA H 403 4.841 4.841 4.872 -0.031 17685 1853 1 4 . 1 1 78 78 ASN C C 403 174.866 174.866 175.072 -0.206 17685 1854 1 4 . 1 1 78 78 ASN CA C 403 52.485 52.485 52.809 -0.324 17685 1855 1 4 . 1 1 78 78 ASN CB C 403 37.659 37.659 38.897 -1.238 17685 1856 1 4 . 1 1 78 78 ASN H H 403 7.397 7.397 7.661 -0.264 17685 1857 1 4 . 1 1 79 79 ALA N N 404 131.057 131.057 124.204 6.853 17685 1858 1 4 . 1 1 79 79 ALA HA H 404 4.160 4.160 4.312 -0.152 17685 1859 1 4 . 1 1 79 79 ALA C C 404 180.575 180.575 179.238 1.337 17685 1860 1 4 . 1 1 79 79 ALA CA C 404 56.271 56.271 54.932 1.339 17685 1861 1 4 . 1 1 79 79 ALA CB C 404 18.357 18.357 18.746 -0.389 17685 1862 1 4 . 1 1 79 79 ALA H H 404 9.143 9.143 8.683 0.460 17685 1863 1 4 . 1 1 80 80 ALA N N 405 117.862 117.862 118.828 -0.966 17685 1864 1 4 . 1 1 80 80 ALA HA H 405 4.362 4.362 4.244 0.118 17685 1865 1 4 . 1 1 80 80 ALA C C 405 179.218 179.218 178.422 0.796 17685 1866 1 4 . 1 1 80 80 ALA CA C 405 53.931 53.931 53.212 0.719 17685 1867 1 4 . 1 1 80 80 ALA CB C 405 18.226 18.226 18.833 -0.607 17685 1868 1 4 . 1 1 80 80 ALA H H 405 8.315 8.315 8.184 0.131 17685 1869 1 4 . 1 1 81 81 GLY N N 406 106.895 106.895 106.255 0.640 17685 1870 1 4 . 1 1 81 81 GLY C C 406 175.175 175.175 174.035 1.140 17685 1871 1 4 . 1 1 81 81 GLY CA C 406 45.363 45.363 44.245 1.118 17685 1872 1 4 . 1 1 81 81 GLY H H 406 7.908 7.908 7.846 0.062 17685 1873 1 4 . 1 1 82 82 ALA N N 407 120.775 120.775 124.462 -3.687 17685 1874 1 4 . 1 1 82 82 ALA HA H 407 3.971 3.971 4.000 -0.029 17685 1875 1 4 . 1 1 82 82 ALA C C 407 177.879 177.879 178.583 -0.704 17685 1876 1 4 . 1 1 82 82 ALA CA C 407 56.076 56.076 55.486 0.590 17685 1877 1 4 . 1 1 82 82 ALA CB C 407 19.120 19.120 18.963 0.157 17685 1878 1 4 . 1 1 82 82 ALA H H 407 7.574 7.574 7.484 0.090 17685 1879 1 4 . 1 1 83 83 LYS N N 408 117.628 117.628 117.630 -0.002 17685 1880 1 4 . 1 1 83 83 LYS HA H 408 3.352 3.352 3.898 -0.546 17685 1881 1 4 . 1 1 83 83 LYS C C 408 178.064 178.064 177.955 0.109 17685 1882 1 4 . 1 1 83 83 LYS CA C 408 61.404 61.404 59.511 1.893 17685 1883 1 4 . 1 1 83 83 LYS CB C 408 31.311 31.311 31.597 -0.286 17685 1884 1 4 . 1 1 83 83 LYS H H 408 8.755 8.755 8.186 0.569 17685 1885 1 4 . 1 1 84 84 GLU N N 409 116.005 116.005 118.930 -2.925 17685 1886 1 4 . 1 1 84 84 GLU HA H 409 3.994 3.994 4.129 -0.135 17685 1887 1 4 . 1 1 84 84 GLU C C 409 179.508 179.508 178.898 0.610 17685 1888 1 4 . 1 1 84 84 GLU CA C 409 59.300 59.300 58.956 0.344 17685 1889 1 4 . 1 1 84 84 GLU CB C 409 28.978 28.978 28.636 0.342 17685 1890 1 4 . 1 1 84 84 GLU H H 409 7.708 7.708 7.737 -0.029 17685 1891 1 4 . 1 1 85 85 VAL N N 410 120.216 120.216 120.775 -0.559 17685 1892 1 4 . 1 1 85 85 VAL HA H 410 3.786 3.786 3.727 0.059 17685 1893 1 4 . 1 1 85 85 VAL C C 410 179.087 179.087 177.740 1.347 17685 1894 1 4 . 1 1 85 85 VAL CA C 410 66.066 66.066 66.454 -0.388 17685 1895 1 4 . 1 1 85 85 VAL CB C 410 32.060 32.060 31.565 0.495 17685 1896 1 4 . 1 1 85 85 VAL H H 410 7.494 7.494 7.290 0.204 17685 1897 1 4 . 1 1 86 86 LEU N N 411 121.293 121.293 120.907 0.386 17685 1898 1 4 . 1 1 86 86 LEU HA H 411 3.871 3.871 3.928 -0.057 17685 1899 1 4 . 1 1 86 86 LEU C C 411 178.844 178.844 179.302 -0.458 17685 1900 1 4 . 1 1 86 86 LEU CA C 411 58.100 58.100 57.376 0.724 17685 1901 1 4 . 1 1 86 86 LEU CB C 411 42.047 42.047 40.757 1.290 17685 1902 1 4 . 1 1 86 86 LEU H H 411 8.371 8.371 8.224 0.147 17685 1903 1 4 . 1 1 87 87 LYS N N 412 119.536 119.536 118.788 0.748 17685 1904 1 4 . 1 1 87 87 LYS HA H 412 4.206 4.206 4.220 -0.014 17685 1905 1 4 . 1 1 87 87 LYS C C 412 179.347 179.347 179.087 0.260 17685 1906 1 4 . 1 1 87 87 LYS CA C 412 60.924 60.924 59.732 1.192 17685 1907 1 4 . 1 1 87 87 LYS CB C 412 32.216 32.216 32.140 0.076 17685 1908 1 4 . 1 1 87 87 LYS H H 412 8.818 8.818 8.384 0.434 17685 1909 1 4 . 1 1 88 88 GLU N N 413 120.780 120.780 118.919 1.861 17685 1910 1 4 . 1 1 88 88 GLU HA H 413 4.127 4.127 4.078 0.049 17685 1911 1 4 . 1 1 88 88 GLU C C 413 179.469 179.469 178.868 0.601 17685 1912 1 4 . 1 1 88 88 GLU CA C 413 59.720 59.720 59.426 0.294 17685 1913 1 4 . 1 1 88 88 GLU CB C 413 29.021 29.021 29.191 -0.170 17685 1914 1 4 . 1 1 88 88 GLU H H 413 7.882 7.882 7.384 0.498 17685 1915 1 4 . 1 1 89 89 SER N N 414 116.823 116.823 116.132 0.691 17685 1916 1 4 . 1 1 89 89 SER HA H 414 3.765 3.765 4.064 -0.299 17685 1917 1 4 . 1 1 89 89 SER C C 414 176.091 176.091 176.590 -0.499 17685 1918 1 4 . 1 1 89 89 SER CA C 414 63.550 63.550 61.992 1.558 17685 1919 1 4 . 1 1 89 89 SER CB C 414 63.718 63.718 62.793 0.925 17685 1920 1 4 . 1 1 89 89 SER H H 414 8.296 8.296 7.987 0.309 17685 1921 1 4 . 1 1 90 90 ALA N N 415 123.230 123.230 125.531 -2.301 17685 1922 1 4 . 1 1 90 90 ALA HA H 415 3.831 3.831 3.892 -0.061 17685 1923 1 4 . 1 1 90 90 ALA C C 415 177.963 177.963 179.253 -1.290 17685 1924 1 4 . 1 1 90 90 ALA CA C 415 55.415 55.415 55.335 0.080 17685 1925 1 4 . 1 1 90 90 ALA CB C 415 19.432 19.432 18.271 1.161 17685 1926 1 4 . 1 1 90 90 ALA H H 415 8.805 8.805 8.334 0.471 17685 1927 1 4 . 1 1 91 91 LYS N N 416 117.753 117.753 118.513 -0.760 17685 1928 1 4 . 1 1 91 91 LYS HA H 416 3.972 3.972 4.051 -0.079 17685 1929 1 4 . 1 1 91 91 LYS C C 416 178.198 178.198 178.858 -0.660 17685 1930 1 4 . 1 1 91 91 LYS CA C 416 59.817 59.817 58.908 0.909 17685 1931 1 4 . 1 1 91 91 LYS CB C 416 32.247 32.247 31.725 0.522 17685 1932 1 4 . 1 1 91 91 LYS H H 416 8.085 8.085 7.751 0.334 17685 1933 1 4 . 1 1 92 92 THR N N 417 114.597 114.597 117.063 -2.466 17685 1934 1 4 . 1 1 92 92 THR HA H 417 4.075 4.075 4.028 0.047 17685 1935 1 4 . 1 1 92 92 THR C C 417 177.541 177.541 176.987 0.554 17685 1936 1 4 . 1 1 92 92 THR CA C 417 66.473 66.473 66.743 -0.270 17685 1937 1 4 . 1 1 92 92 THR CB C 417 69.070 69.070 68.439 0.631 17685 1938 1 4 . 1 1 92 92 THR H H 417 7.923 7.923 7.666 0.257 17685 1939 1 4 . 1 1 93 93 ILE N N 418 124.160 124.160 121.906 2.254 17685 1940 1 4 . 1 1 93 93 ILE HA H 418 3.662 3.662 3.654 0.008 17685 1941 1 4 . 1 1 93 93 ILE C C 418 178.114 178.114 177.491 0.623 17685 1942 1 4 . 1 1 93 93 ILE CA C 418 65.626 65.626 65.760 -0.134 17685 1943 1 4 . 1 1 93 93 ILE CB C 418 38.297 38.297 37.534 0.763 17685 1944 1 4 . 1 1 93 93 ILE H H 418 7.984 7.984 8.309 -0.325 17685 1945 1 4 . 1 1 94 94 VAL N N 419 121.566 121.566 120.184 1.382 17685 1946 1 4 . 1 1 94 94 VAL HA H 419 4.156 4.156 4.110 0.046 17685 1947 1 4 . 1 1 94 94 VAL C C 419 181.424 181.424 178.490 2.934 17685 1948 1 4 . 1 1 94 94 VAL CA C 419 65.808 65.808 65.325 0.483 17685 1949 1 4 . 1 1 94 94 VAL CB C 419 31.892 31.892 31.234 0.658 17685 1950 1 4 . 1 1 94 94 VAL H H 419 8.551 8.551 7.842 0.709 17685 1951 1 4 . 1 1 95 95 ASP N N 420 123.788 123.788 119.341 4.447 17685 1952 1 4 . 1 1 95 95 ASP HA H 420 4.477 4.477 4.489 -0.012 17685 1953 1 4 . 1 1 95 95 ASP C C 420 178.220 178.220 178.382 -0.162 17685 1954 1 4 . 1 1 95 95 ASP CA C 420 57.548 57.548 56.371 1.177 17685 1955 1 4 . 1 1 95 95 ASP CB C 420 39.850 39.850 41.082 -1.232 17685 1956 1 4 . 1 1 95 95 ASP H H 420 9.354 9.354 7.930 1.424 17685 1957 1 4 . 1 1 96 96 SER N N 421 111.960 111.960 113.880 -1.920 17685 1958 1 4 . 1 1 96 96 SER HA H 421 4.526 4.526 4.449 0.077 17685 1959 1 4 . 1 1 96 96 SER C C 421 175.345 175.345 175.184 0.161 17685 1960 1 4 . 1 1 96 96 SER CA C 421 59.433 59.433 59.267 0.166 17685 1961 1 4 . 1 1 96 96 SER CB C 421 64.264 64.264 63.782 0.482 17685 1962 1 4 . 1 1 96 96 SER H H 421 7.862 7.862 7.945 -0.083 17685 1963 1 4 . 1 1 97 97 GLY N N 422 110.240 110.240 108.966 1.274 17685 1964 1 4 . 1 1 97 97 GLY C C 422 175.158 175.158 175.052 0.106 17685 1965 1 4 . 1 1 97 97 GLY CA C 422 45.606 45.606 45.713 -0.107 17685 1966 1 4 . 1 1 97 97 GLY H H 422 8.063 8.063 7.520 0.543 17685 1967 1 4 . 1 1 98 98 LYS N N 423 120.213 120.213 119.214 0.999 17685 1968 1 4 . 1 1 98 98 LYS HA H 423 4.083 4.083 4.276 -0.193 17685 1969 1 4 . 1 1 98 98 LYS C C 423 176.681 176.681 176.405 0.276 17685 1970 1 4 . 1 1 98 98 LYS CA C 423 59.417 59.417 57.752 1.665 17685 1971 1 4 . 1 1 98 98 LYS CB C 423 33.453 33.453 33.635 -0.182 17685 1972 1 4 . 1 1 98 98 LYS H H 423 7.992 7.992 8.180 -0.188 17685 1973 1 4 . 1 1 99 99 LEU N N 424 114.357 114.357 119.554 -5.197 17685 1974 1 4 . 1 1 99 99 LEU HA H 424 4.848 4.848 4.857 -0.009 17685 1975 1 4 . 1 1 99 99 LEU C C 424 174.161 174.161 173.917 0.244 17685 1976 1 4 . 1 1 99 99 LEU CA C 424 52.225 52.225 51.521 0.704 17685 1977 1 4 . 1 1 99 99 LEU CB C 424 46.075 46.075 44.739 1.335 17685 1978 1 4 . 1 1 99 99 LEU H H 424 6.865 6.865 7.408 -0.543 17685 1979 1 4 . 1 1 100 100 PRO HA H 425 4.650 4.650 4.817 -0.167 17685 1980 1 4 . 1 1 100 100 PRO C C 425 177.559 177.559 177.850 -0.291 17685 1981 1 4 . 1 1 100 100 PRO CA C 425 61.643 61.643 62.344 -0.701 17685 1982 1 4 . 1 1 100 100 PRO CB C 425 32.422 32.422 32.567 -0.145 17685 1983 1 4 . 1 1 101 101 SER N N 426 117.043 117.043 117.747 -0.704 17685 1984 1 4 . 1 1 101 101 SER HA H 426 3.824 3.824 4.091 -0.267 17685 1985 1 4 . 1 1 101 101 SER C C 426 177.202 177.202 176.521 0.681 17685 1986 1 4 . 1 1 101 101 SER CA C 426 61.708 61.708 62.561 -0.853 17685 1987 1 4 . 1 1 101 101 SER CB C 426 62.706 62.706 62.464 0.242 17685 1988 1 4 . 1 1 101 101 SER H H 426 8.999 8.999 8.863 0.136 17685 1989 1 4 . 1 1 102 102 SER N N 427 114.761 114.761 117.010 -2.249 17685 1990 1 4 . 1 1 102 102 SER HA H 427 4.112 4.112 4.336 -0.224 17685 1991 1 4 . 1 1 102 102 SER C C 427 176.526 176.526 175.052 1.474 17685 1992 1 4 . 1 1 102 102 SER CA C 427 60.650 60.650 61.086 -0.436 17685 1993 1 4 . 1 1 102 102 SER CB C 427 62.213 62.213 62.879 -0.666 17685 1994 1 4 . 1 1 102 102 SER H H 427 8.115 8.115 8.545 -0.430 17685 1995 1 4 . 1 1 103 103 LEU N N 428 120.408 120.408 119.102 1.306 17685 1996 1 4 . 1 1 103 103 LEU HA H 428 4.435 4.435 4.380 0.055 17685 1997 1 4 . 1 1 103 103 LEU C C 428 176.698 176.698 176.934 -0.236 17685 1998 1 4 . 1 1 103 103 LEU CA C 428 55.847 55.847 56.150 -0.303 17685 1999 1 4 . 1 1 103 103 LEU CB C 428 42.586 42.586 42.123 0.463 17685 2000 1 4 . 1 1 103 103 LEU H H 428 7.320 7.320 7.823 -0.503 17685 2001 1 4 . 1 1 104 104 LEU N N 429 117.860 117.860 116.627 1.233 17685 2002 1 4 . 1 1 104 104 LEU HA H 429 4.995 4.995 4.508 0.487 17685 2003 1 4 . 1 1 104 104 LEU C C 429 178.320 178.320 178.312 0.008 17685 2004 1 4 . 1 1 104 104 LEU CA C 429 52.672 52.672 56.353 -3.681 17685 2005 1 4 . 1 1 104 104 LEU CB C 429 43.039 43.039 42.656 0.383 17685 2006 1 4 . 1 1 104 104 LEU H H 429 7.325 7.325 7.823 -0.498 17685 2007 1 4 . 1 1 105 105 SER N N 430 112.664 112.664 111.603 1.061 17685 2008 1 4 . 1 1 105 105 SER HA H 430 4.259 4.259 4.321 -0.062 17685 2009 1 4 . 1 1 105 105 SER C C 430 175.288 175.288 175.370 -0.082 17685 2010 1 4 . 1 1 105 105 SER CA C 430 61.247 61.247 61.120 0.127 17685 2011 1 4 . 1 1 105 105 SER CB C 430 64.058 64.058 61.075 2.982 17685 2012 1 4 . 1 1 105 105 SER H H 430 6.990 6.990 8.298 -1.308 17685 2013 1 4 . 1 1 106 106 TYR N N 431 125.624 125.624 122.045 3.579 17685 2014 1 4 . 1 1 106 106 TYR HA H 431 4.060 4.060 3.984 0.076 17685 2015 1 4 . 1 1 106 106 TYR C C 431 176.064 176.064 175.821 0.243 17685 2016 1 4 . 1 1 106 106 TYR CA C 431 61.449 61.449 61.675 -0.226 17685 2017 1 4 . 1 1 106 106 TYR CB C 431 38.282 38.282 38.525 -0.243 17685 2018 1 4 . 1 1 106 106 TYR H H 431 10.433 10.433 8.021 2.412 17685 2019 1 4 . 1 1 107 107 PHE N N 432 113.203 113.203 113.174 0.029 17685 2020 1 4 . 1 1 107 107 PHE HA H 432 4.314 4.314 4.607 -0.293 17685 2021 1 4 . 1 1 107 107 PHE C C 432 173.901 173.901 174.849 -0.948 17685 2022 1 4 . 1 1 107 107 PHE CA C 432 59.810 59.810 58.195 1.615 17685 2023 1 4 . 1 1 107 107 PHE CB C 432 43.249 43.249 39.167 4.082 17685 2024 1 4 . 1 1 107 107 PHE H H 432 7.955 7.955 8.267 -0.312 17685 2025 1 5 . 1 1 22 22 SER N N 347 116.741 116.741 119.151 -2.410 17685 2026 1 5 . 1 1 22 22 SER HA H 347 4.355 4.355 4.634 -0.279 17685 2027 1 5 . 1 1 22 22 SER C C 347 176.272 176.272 175.280 0.992 17685 2028 1 5 . 1 1 22 22 SER CA C 347 59.651 59.651 58.190 1.461 17685 2029 1 5 . 1 1 22 22 SER CB C 347 63.231 63.231 61.953 1.278 17685 2030 1 5 . 1 1 22 22 SER H H 347 8.311 8.311 8.662 -0.351 17685 2031 1 5 . 1 1 23 23 LYS N N 348 124.398 124.398 121.364 3.034 17685 2032 1 5 . 1 1 23 23 LYS HA H 348 4.142 4.142 3.965 0.177 17685 2033 1 5 . 1 1 23 23 LYS C C 348 178.743 178.743 177.628 1.115 17685 2034 1 5 . 1 1 23 23 LYS CA C 348 59.304 59.304 59.326 -0.022 17685 2035 1 5 . 1 1 23 23 LYS CB C 348 32.301 32.301 31.964 0.337 17685 2036 1 5 . 1 1 23 23 LYS H H 348 8.611 8.611 8.027 0.584 17685 2037 1 5 . 1 1 24 24 ALA N N 349 122.494 122.494 121.266 1.228 17685 2038 1 5 . 1 1 24 24 ALA HA H 349 4.137 4.137 4.310 -0.173 17685 2039 1 5 . 1 1 24 24 ALA C C 349 179.869 179.869 179.490 0.379 17685 2040 1 5 . 1 1 24 24 ALA CA C 349 54.811 54.811 54.050 0.761 17685 2041 1 5 . 1 1 24 24 ALA CB C 349 18.284 18.284 18.073 0.211 17685 2042 1 5 . 1 1 24 24 ALA H H 349 8.245 8.245 8.371 -0.126 17685 2043 1 5 . 1 1 25 25 ALA N N 350 121.576 121.576 121.861 -0.285 17685 2044 1 5 . 1 1 25 25 ALA HA H 350 4.136 4.136 3.982 0.154 17685 2045 1 5 . 1 1 25 25 ALA C C 350 178.743 178.743 179.434 -0.691 17685 2046 1 5 . 1 1 25 25 ALA CA C 350 54.632 54.632 54.598 0.034 17685 2047 1 5 . 1 1 25 25 ALA CB C 350 18.299 18.299 18.218 0.081 17685 2048 1 5 . 1 1 25 25 ALA H H 350 8.014 8.014 7.717 0.297 17685 2049 1 5 . 1 1 26 26 LYS N N 351 119.618 119.618 118.807 0.811 17685 2050 1 5 . 1 1 26 26 LYS HA H 351 4.196 4.196 3.907 0.289 17685 2051 1 5 . 1 1 26 26 LYS C C 351 178.485 178.485 179.083 -0.598 17685 2052 1 5 . 1 1 26 26 LYS CA C 351 60.014 60.014 59.882 0.132 17685 2053 1 5 . 1 1 26 26 LYS CB C 351 32.511 32.511 32.197 0.314 17685 2054 1 5 . 1 1 26 26 LYS H H 351 7.831 7.831 8.110 -0.279 17685 2055 1 5 . 1 1 27 27 LYS N N 352 118.080 118.080 118.575 -0.495 17685 2056 1 5 . 1 1 27 27 LYS HA H 352 3.958 3.958 4.085 -0.127 17685 2057 1 5 . 1 1 27 27 LYS C C 352 179.564 179.564 178.543 1.021 17685 2058 1 5 . 1 1 27 27 LYS CA C 352 60.092 60.092 59.071 1.021 17685 2059 1 5 . 1 1 27 27 LYS CB C 352 32.550 32.550 32.525 0.025 17685 2060 1 5 . 1 1 27 27 LYS H H 352 7.905 7.905 7.431 0.474 17685 2061 1 5 . 1 1 28 28 LYS N N 353 119.878 119.878 119.823 0.055 17685 2062 1 5 . 1 1 28 28 LYS HA H 353 4.023 4.023 4.001 0.022 17685 2063 1 5 . 1 1 28 28 LYS C C 353 179.270 179.270 178.959 0.311 17685 2064 1 5 . 1 1 28 28 LYS CA C 353 59.806 59.806 59.135 0.671 17685 2065 1 5 . 1 1 28 28 LYS CB C 353 32.324 32.324 32.039 0.285 17685 2066 1 5 . 1 1 28 28 LYS H H 353 7.934 7.934 7.977 -0.043 17685 2067 1 5 . 1 1 29 29 ASN N N 354 119.780 119.780 117.634 2.146 17685 2068 1 5 . 1 1 29 29 ASN HA H 354 4.557 4.557 4.447 0.110 17685 2069 1 5 . 1 1 29 29 ASN C C 354 177.395 177.395 177.395 0.000 17685 2070 1 5 . 1 1 29 29 ASN CA C 354 56.167 56.167 55.848 0.319 17685 2071 1 5 . 1 1 29 29 ASN CB C 354 37.928 37.928 37.966 -0.038 17685 2072 1 5 . 1 1 29 29 ASN H H 354 8.524 8.524 8.493 0.031 17685 2073 1 5 . 1 1 30 30 LYS N N 355 118.850 118.850 119.515 -0.665 17685 2074 1 5 . 1 1 30 30 LYS HA H 355 3.820 3.820 3.919 -0.099 17685 2075 1 5 . 1 1 30 30 LYS C C 355 178.266 178.266 178.743 -0.477 17685 2076 1 5 . 1 1 30 30 LYS CA C 355 61.698 61.698 59.844 1.854 17685 2077 1 5 . 1 1 30 30 LYS CB C 355 33.000 33.000 32.172 0.828 17685 2078 1 5 . 1 1 30 30 LYS H H 355 8.599 8.599 7.572 1.027 17685 2079 1 5 . 1 1 31 31 ARG N N 356 118.226 118.226 118.032 0.194 17685 2080 1 5 . 1 1 31 31 ARG HA H 356 3.940 3.940 4.179 -0.239 17685 2081 1 5 . 1 1 31 31 ARG C C 356 177.676 177.676 178.361 -0.685 17685 2082 1 5 . 1 1 31 31 ARG CA C 356 59.316 59.316 58.870 0.446 17685 2083 1 5 . 1 1 31 31 ARG CB C 356 30.266 30.266 29.695 0.571 17685 2084 1 5 . 1 1 31 31 ARG H H 356 7.809 7.809 7.625 0.184 17685 2085 1 5 . 1 1 32 32 ALA N N 357 120.780 120.780 123.064 -2.284 17685 2086 1 5 . 1 1 32 32 ALA HA H 357 4.104 4.104 4.116 -0.012 17685 2087 1 5 . 1 1 32 32 ALA C C 357 181.157 181.157 179.264 1.893 17685 2088 1 5 . 1 1 32 32 ALA CA C 357 55.118 55.118 54.753 0.365 17685 2089 1 5 . 1 1 32 32 ALA CB C 357 18.064 18.064 18.213 -0.149 17685 2090 1 5 . 1 1 32 32 ALA H H 357 8.155 8.155 7.970 0.185 17685 2091 1 5 . 1 1 33 33 ILE N N 358 116.468 116.468 117.474 -1.006 17685 2092 1 5 . 1 1 33 33 ILE HA H 358 3.590 3.590 3.657 -0.067 17685 2093 1 5 . 1 1 33 33 ILE C C 358 179.458 179.458 177.800 1.658 17685 2094 1 5 . 1 1 33 33 ILE CA C 358 65.775 65.775 64.614 1.161 17685 2095 1 5 . 1 1 33 33 ILE CB C 358 38.592 38.592 37.803 0.789 17685 2096 1 5 . 1 1 33 33 ILE H H 358 7.929 7.929 8.027 -0.098 17685 2097 1 5 . 1 1 34 34 ARG N N 359 119.937 119.937 120.190 -0.253 17685 2098 1 5 . 1 1 34 34 ARG HA H 359 3.998 3.998 4.044 -0.046 17685 2099 1 5 . 1 1 34 34 ARG C C 359 179.124 179.124 178.890 0.234 17685 2100 1 5 . 1 1 34 34 ARG CA C 359 60.029 60.029 59.561 0.468 17685 2101 1 5 . 1 1 34 34 ARG CB C 359 30.576 30.576 29.838 0.738 17685 2102 1 5 . 1 1 34 34 ARG H H 359 8.672 8.672 7.549 1.123 17685 2103 1 5 . 1 1 35 35 ASN N N 360 116.359 116.359 118.190 -1.831 17685 2104 1 5 . 1 1 35 35 ASN HA H 360 4.575 4.575 4.448 0.127 17685 2105 1 5 . 1 1 35 35 ASN C C 360 175.723 175.723 176.688 -0.965 17685 2106 1 5 . 1 1 35 35 ASN CA C 360 54.215 54.215 55.323 -1.108 17685 2107 1 5 . 1 1 35 35 ASN CB C 360 38.575 38.575 37.733 0.842 17685 2108 1 5 . 1 1 35 35 ASN H H 360 8.454 8.454 8.414 0.040 17685 2109 1 5 . 1 1 36 36 SER N N 361 115.734 115.734 116.559 -0.825 17685 2110 1 5 . 1 1 36 36 SER HA H 361 3.995 3.995 4.128 -0.133 17685 2111 1 5 . 1 1 36 36 SER C C 361 176.129 176.129 176.039 0.090 17685 2112 1 5 . 1 1 36 36 SER CA C 361 62.349 62.349 62.022 0.327 17685 2113 1 5 . 1 1 36 36 SER CB C 361 63.664 63.664 62.806 0.858 17685 2114 1 5 . 1 1 36 36 SER H H 361 7.617 7.617 7.714 -0.097 17685 2115 1 5 . 1 1 37 37 ALA N N 362 124.421 124.421 123.696 0.725 17685 2116 1 5 . 1 1 37 37 ALA HA H 362 3.770 3.770 3.740 0.030 17685 2117 1 5 . 1 1 37 37 ALA C C 362 178.482 178.482 178.212 0.270 17685 2118 1 5 . 1 1 37 37 ALA CA C 362 54.821 54.821 53.831 0.990 17685 2119 1 5 . 1 1 37 37 ALA CB C 362 18.347 18.347 17.887 0.460 17685 2120 1 5 . 1 1 37 37 ALA H H 362 6.868 6.868 7.521 -0.653 17685 2121 1 5 . 1 1 38 38 LYS N N 363 122.319 122.319 117.499 4.820 17685 2122 1 5 . 1 1 38 38 LYS HA H 363 2.913 2.913 4.104 -1.191 17685 2123 1 5 . 1 1 38 38 LYS C C 363 180.669 180.669 179.398 1.271 17685 2124 1 5 . 1 1 38 38 LYS CA C 363 59.567 59.567 58.778 0.789 17685 2125 1 5 . 1 1 38 38 LYS CB C 363 31.563 31.563 32.274 -0.711 17685 2126 1 5 . 1 1 38 38 LYS H H 363 8.317 8.317 7.381 0.936 17685 2127 1 5 . 1 1 39 39 GLU N N 364 118.666 118.666 117.438 1.228 17685 2128 1 5 . 1 1 39 39 GLU HA H 364 4.015 4.015 4.250 -0.235 17685 2129 1 5 . 1 1 39 39 GLU C C 364 176.609 176.609 178.009 -1.400 17685 2130 1 5 . 1 1 39 39 GLU CA C 364 58.674 58.674 58.266 0.409 17685 2131 1 5 . 1 1 39 39 GLU CB C 364 29.058 29.058 30.059 -1.001 17685 2132 1 5 . 1 1 39 39 GLU H H 364 7.935 7.935 8.336 -0.401 17685 2133 1 5 . 1 1 40 40 ALA N N 365 121.145 121.145 120.060 1.085 17685 2134 1 5 . 1 1 40 40 ALA HA H 365 4.663 4.663 4.578 0.085 17685 2135 1 5 . 1 1 40 40 ALA C C 365 177.688 177.688 175.577 2.111 17685 2136 1 5 . 1 1 40 40 ALA CA C 365 50.931 50.931 50.784 0.147 17685 2137 1 5 . 1 1 40 40 ALA CB C 365 18.566 18.566 19.853 -1.287 17685 2138 1 5 . 1 1 40 40 ALA H H 365 7.049 7.049 7.813 -0.764 17685 2139 1 5 . 1 1 41 41 ASP N N 366 121.103 121.103 116.424 4.679 17685 2140 1 5 . 1 1 41 41 ASP HA H 366 4.338 4.338 4.281 0.057 17685 2141 1 5 . 1 1 41 41 ASP C C 366 175.644 175.644 175.224 0.420 17685 2142 1 5 . 1 1 41 41 ASP CA C 366 55.898 55.898 54.600 1.298 17685 2143 1 5 . 1 1 41 41 ASP CB C 366 39.353 39.353 40.997 -1.644 17685 2144 1 5 . 1 1 41 41 ASP H H 366 8.099 8.099 7.213 0.886 17685 2145 1 5 . 1 1 42 42 TYR N N 367 110.700 110.700 121.945 -11.245 17685 2146 1 5 . 1 1 42 42 TYR HA H 367 2.485 2.485 3.950 -1.465 17685 2147 1 5 . 1 1 42 42 TYR C C 367 174.307 174.307 175.786 -1.479 17685 2148 1 5 . 1 1 42 42 TYR CA C 367 61.064 61.064 58.685 2.379 17685 2149 1 5 . 1 1 42 42 TYR CB C 367 34.242 34.242 37.810 -3.568 17685 2150 1 5 . 1 1 42 42 TYR H H 367 8.364 8.364 8.821 -0.457 17685 2151 1 5 . 1 1 43 43 PHE N N 368 111.305 111.305 116.076 -4.771 17685 2152 1 5 . 1 1 43 43 PHE HA H 368 4.666 4.666 4.223 0.443 17685 2153 1 5 . 1 1 43 43 PHE C C 368 177.162 177.162 176.159 1.003 17685 2154 1 5 . 1 1 43 43 PHE CA C 368 56.561 56.561 58.890 -2.329 17685 2155 1 5 . 1 1 43 43 PHE CB C 368 36.514 36.514 35.813 0.701 17685 2156 1 5 . 1 1 43 43 PHE H H 368 7.666 7.666 7.729 -0.063 17685 2157 1 5 . 1 1 44 44 GLY N N 369 106.300 106.300 105.645 0.655 17685 2158 1 5 . 1 1 44 44 GLY C C 369 174.446 174.446 174.497 -0.051 17685 2159 1 5 . 1 1 44 44 GLY CA C 369 45.780 45.780 45.055 0.725 17685 2160 1 5 . 1 1 44 44 GLY H H 369 7.671 7.671 8.181 -0.510 17685 2161 1 5 . 1 1 45 45 ASP N N 370 122.876 122.876 121.111 1.765 17685 2162 1 5 . 1 1 45 45 ASP HA H 370 5.323 5.323 4.837 0.486 17685 2163 1 5 . 1 1 45 45 ASP C C 370 176.360 176.360 176.365 -0.005 17685 2164 1 5 . 1 1 45 45 ASP CA C 370 53.322 53.322 53.552 -0.230 17685 2165 1 5 . 1 1 45 45 ASP CB C 370 41.391 41.391 41.236 0.155 17685 2166 1 5 . 1 1 45 45 ASP H H 370 8.331 8.331 8.050 0.281 17685 2167 1 5 . 1 1 46 46 ALA N N 371 121.771 121.771 123.438 -1.667 17685 2168 1 5 . 1 1 46 46 ALA HA H 371 3.600 3.600 3.830 -0.230 17685 2169 1 5 . 1 1 46 46 ALA C C 371 179.111 179.111 178.649 0.462 17685 2170 1 5 . 1 1 46 46 ALA CA C 371 56.038 56.038 54.614 1.424 17685 2171 1 5 . 1 1 46 46 ALA CB C 371 17.942 17.942 18.314 -0.371 17685 2172 1 5 . 1 1 46 46 ALA H H 371 8.282 8.282 8.370 -0.088 17685 2173 1 5 . 1 1 47 47 ASP N N 372 116.273 116.273 116.049 0.224 17685 2174 1 5 . 1 1 47 47 ASP HA H 372 4.359 4.359 4.480 -0.121 17685 2175 1 5 . 1 1 47 47 ASP C C 372 177.019 177.019 176.857 0.162 17685 2176 1 5 . 1 1 47 47 ASP CA C 372 55.832 55.832 55.696 0.136 17685 2177 1 5 . 1 1 47 47 ASP CB C 372 39.190 39.190 40.615 -1.425 17685 2178 1 5 . 1 1 47 47 ASP H H 372 9.068 9.068 8.745 0.323 17685 2179 1 5 . 1 1 48 48 LYS N N 373 120.180 120.180 116.277 3.903 17685 2180 1 5 . 1 1 48 48 LYS HA H 373 4.723 4.723 4.671 0.052 17685 2181 1 5 . 1 1 48 48 LYS C C 373 175.542 175.542 176.248 -0.706 17685 2182 1 5 . 1 1 48 48 LYS CA C 373 54.787 54.787 55.293 -0.506 17685 2183 1 5 . 1 1 48 48 LYS CB C 373 32.179 32.179 32.061 0.118 17685 2184 1 5 . 1 1 48 48 LYS H H 373 8.050 8.050 7.793 0.257 17685 2185 1 5 . 1 1 49 49 ALA N N 374 122.498 122.498 123.796 -1.298 17685 2186 1 5 . 1 1 49 49 ALA HA H 374 3.068 3.068 4.139 -1.071 17685 2187 1 5 . 1 1 49 49 ALA C C 374 177.781 177.781 179.253 -1.472 17685 2188 1 5 . 1 1 49 49 ALA CA C 374 56.962 56.962 56.258 0.704 17685 2189 1 5 . 1 1 49 49 ALA CB C 374 17.855 17.855 18.246 -0.391 17685 2190 1 5 . 1 1 49 49 ALA H H 374 7.045 7.045 7.454 -0.409 17685 2191 1 5 . 1 1 50 50 THR N N 375 108.573 108.573 112.712 -4.139 17685 2192 1 5 . 1 1 50 50 THR HA H 375 4.044 4.044 4.042 0.002 17685 2193 1 5 . 1 1 50 50 THR C C 375 177.647 177.647 176.481 1.166 17685 2194 1 5 . 1 1 50 50 THR CA C 375 66.201 66.201 67.531 -1.330 17685 2195 1 5 . 1 1 50 50 THR CB C 375 68.334 68.334 68.191 0.143 17685 2196 1 5 . 1 1 50 50 THR H H 375 8.285 8.285 8.355 -0.070 17685 2197 1 5 . 1 1 51 51 THR N N 376 120.018 120.018 119.922 0.096 17685 2198 1 5 . 1 1 51 51 THR HA H 376 4.147 4.147 4.098 0.049 17685 2199 1 5 . 1 1 51 51 THR C C 376 175.499 175.499 176.458 -0.959 17685 2200 1 5 . 1 1 51 51 THR CA C 376 66.145 66.145 66.666 -0.521 17685 2201 1 5 . 1 1 51 51 THR CB C 376 69.382 69.382 68.485 0.897 17685 2202 1 5 . 1 1 51 51 THR H H 376 7.359 7.359 7.477 -0.118 17685 2203 1 5 . 1 1 52 52 ILE N N 377 122.319 122.319 122.719 -0.400 17685 2204 1 5 . 1 1 52 52 ILE HA H 377 3.168 3.168 3.974 -0.806 17685 2205 1 5 . 1 1 52 52 ILE C C 377 177.879 177.879 178.143 -0.264 17685 2206 1 5 . 1 1 52 52 ILE CA C 377 67.070 67.070 65.743 1.327 17685 2207 1 5 . 1 1 52 52 ILE CB C 377 38.257 38.257 37.737 0.520 17685 2208 1 5 . 1 1 52 52 ILE H H 377 8.346 8.346 8.611 -0.265 17685 2209 1 5 . 1 1 53 53 ASP N N 378 117.696 117.696 120.267 -2.571 17685 2210 1 5 . 1 1 53 53 ASP HA H 378 4.739 4.739 4.298 0.441 17685 2211 1 5 . 1 1 53 53 ASP C C 378 180.094 180.094 178.463 1.631 17685 2212 1 5 . 1 1 53 53 ASP CA C 378 58.044 58.044 58.173 -0.129 17685 2213 1 5 . 1 1 53 53 ASP CB C 378 39.648 39.648 40.898 -1.250 17685 2214 1 5 . 1 1 53 53 ASP H H 378 8.991 8.991 8.441 0.550 17685 2215 1 5 . 1 1 54 54 GLU N N 379 121.956 121.956 119.640 2.316 17685 2216 1 5 . 1 1 54 54 GLU HA H 379 4.174 4.174 3.970 0.204 17685 2217 1 5 . 1 1 54 54 GLU C C 379 179.679 179.679 179.230 0.449 17685 2218 1 5 . 1 1 54 54 GLU CA C 379 59.572 59.572 59.482 0.090 17685 2219 1 5 . 1 1 54 54 GLU CB C 379 29.324 29.324 29.729 -0.405 17685 2220 1 5 . 1 1 54 54 GLU H H 379 7.946 7.946 7.898 0.048 17685 2221 1 5 . 1 1 55 55 GLN N N 380 120.733 120.733 119.594 1.139 17685 2222 1 5 . 1 1 55 55 GLN HA H 380 4.171 4.171 4.097 0.074 17685 2223 1 5 . 1 1 55 55 GLN C C 380 178.288 178.288 178.840 -0.552 17685 2224 1 5 . 1 1 55 55 GLN CA C 380 59.994 59.994 59.172 0.822 17685 2225 1 5 . 1 1 55 55 GLN CB C 380 29.566 29.566 29.151 0.415 17685 2226 1 5 . 1 1 55 55 GLN H H 380 8.357 8.357 8.541 -0.184 17685 2227 1 5 . 1 1 56 56 VAL N N 381 120.353 120.353 119.261 1.092 17685 2228 1 5 . 1 1 56 56 VAL HA H 381 3.536 3.536 3.548 -0.012 17685 2229 1 5 . 1 1 56 56 VAL C C 381 178.220 178.220 178.281 -0.061 17685 2230 1 5 . 1 1 56 56 VAL CA C 381 67.557 67.557 66.676 0.881 17685 2231 1 5 . 1 1 56 56 VAL CB C 381 31.349 31.349 30.773 0.576 17685 2232 1 5 . 1 1 56 56 VAL H H 381 9.484 9.484 8.677 0.807 17685 2233 1 5 . 1 1 57 57 GLY N N 382 106.926 106.926 107.917 -0.991 17685 2234 1 5 . 1 1 57 57 GLY C C 382 174.843 174.843 176.438 -1.595 17685 2235 1 5 . 1 1 57 57 GLY CA C 382 47.694 47.694 47.222 0.472 17685 2236 1 5 . 1 1 57 57 GLY H H 382 8.169 8.169 7.941 0.228 17685 2237 1 5 . 1 1 58 58 LEU N N 383 120.610 120.610 122.907 -2.297 17685 2238 1 5 . 1 1 58 58 LEU HA H 383 4.151 4.151 3.944 0.207 17685 2239 1 5 . 1 1 58 58 LEU C C 383 180.087 180.087 178.911 1.176 17685 2240 1 5 . 1 1 58 58 LEU CA C 383 57.974 57.974 57.663 0.311 17685 2241 1 5 . 1 1 58 58 LEU CB C 383 42.125 42.125 41.749 0.376 17685 2242 1 5 . 1 1 58 58 LEU H H 383 7.568 7.568 8.139 -0.571 17685 2243 1 5 . 1 1 59 59 ILE N N 384 120.213 120.213 119.425 0.788 17685 2244 1 5 . 1 1 59 59 ILE HA H 384 3.416 3.416 3.563 -0.147 17685 2245 1 5 . 1 1 59 59 ILE C C 384 178.310 178.310 178.058 0.252 17685 2246 1 5 . 1 1 59 59 ILE CA C 384 66.069 66.069 65.686 0.383 17685 2247 1 5 . 1 1 59 59 ILE CB C 384 38.233 38.233 37.686 0.547 17685 2248 1 5 . 1 1 59 59 ILE H H 384 8.057 8.057 8.213 -0.156 17685 2249 1 5 . 1 1 60 60 VAL N N 385 115.546 115.546 114.517 1.029 17685 2250 1 5 . 1 1 60 60 VAL HA H 385 3.560 3.560 3.627 -0.067 17685 2251 1 5 . 1 1 60 60 VAL C C 385 177.921 177.921 176.643 1.278 17685 2252 1 5 . 1 1 60 60 VAL CA C 385 66.702 66.702 65.481 1.221 17685 2253 1 5 . 1 1 60 60 VAL CB C 385 31.565 31.565 31.705 -0.140 17685 2254 1 5 . 1 1 60 60 VAL H H 385 8.672 8.672 8.157 0.515 17685 2255 1 5 . 1 1 61 61 ASP N N 386 117.831 117.831 118.296 -0.465 17685 2256 1 5 . 1 1 61 61 ASP HA H 386 4.571 4.571 4.507 0.064 17685 2257 1 5 . 1 1 61 61 ASP C C 386 177.238 177.238 177.866 -0.628 17685 2258 1 5 . 1 1 61 61 ASP CA C 386 56.184 56.184 56.185 -0.001 17685 2259 1 5 . 1 1 61 61 ASP CB C 386 40.632 40.632 41.558 -0.926 17685 2260 1 5 . 1 1 61 61 ASP H H 386 7.988 7.988 7.728 0.260 17685 2261 1 5 . 1 1 62 62 SER N N 387 114.761 114.761 114.138 0.623 17685 2262 1 5 . 1 1 62 62 SER HA H 387 4.577 4.577 4.387 0.190 17685 2263 1 5 . 1 1 62 62 SER C C 387 173.645 173.645 174.950 -1.305 17685 2264 1 5 . 1 1 62 62 SER CA C 387 59.694 59.694 60.022 -0.328 17685 2265 1 5 . 1 1 62 62 SER CB C 387 64.588 64.588 63.804 0.784 17685 2266 1 5 . 1 1 62 62 SER H H 387 7.755 7.755 8.040 -0.285 17685 2267 1 5 . 1 1 63 63 LEU N N 388 121.610 121.610 120.360 1.250 17685 2268 1 5 . 1 1 63 63 LEU HA H 388 4.506 4.506 4.300 0.206 17685 2269 1 5 . 1 1 63 63 LEU C C 388 177.071 177.071 175.091 1.980 17685 2270 1 5 . 1 1 63 63 LEU CA C 388 54.490 54.490 54.445 0.045 17685 2271 1 5 . 1 1 63 63 LEU CB C 388 42.414 42.414 42.837 -0.423 17685 2272 1 5 . 1 1 63 63 LEU H H 388 7.083 7.083 7.537 -0.454 17685 2273 1 5 . 1 1 64 64 ASN N N 389 122.154 122.154 115.901 6.253 17685 2274 1 5 . 1 1 64 64 ASN HA H 389 4.748 4.748 4.842 -0.094 17685 2275 1 5 . 1 1 64 64 ASN C C 389 175.144 175.144 175.785 -0.641 17685 2276 1 5 . 1 1 64 64 ASN CA C 389 51.898 51.898 51.649 0.249 17685 2277 1 5 . 1 1 64 64 ASN CB C 389 37.762 37.762 40.329 -2.567 17685 2278 1 5 . 1 1 64 64 ASN H H 389 9.587 9.587 8.109 1.478 17685 2279 1 5 . 1 1 65 65 ASP N N 390 116.882 116.882 119.330 -2.448 17685 2280 1 5 . 1 1 65 65 ASP HA H 390 4.288 4.288 4.236 0.052 17685 2281 1 5 . 1 1 65 65 ASP C C 390 178.601 178.601 177.778 0.823 17685 2282 1 5 . 1 1 65 65 ASP CA C 390 58.992 58.992 57.580 1.412 17685 2283 1 5 . 1 1 65 65 ASP CB C 390 40.168 40.168 40.395 -0.227 17685 2284 1 5 . 1 1 65 65 ASP H H 390 8.504 8.504 8.866 -0.362 17685 2285 1 5 . 1 1 66 66 GLU N N 391 119.807 119.807 119.312 0.495 17685 2286 1 5 . 1 1 66 66 GLU HA H 391 4.048 4.048 4.096 -0.048 17685 2287 1 5 . 1 1 66 66 GLU C C 391 179.549 179.549 179.125 0.424 17685 2288 1 5 . 1 1 66 66 GLU CA C 391 59.943 59.943 59.118 0.825 17685 2289 1 5 . 1 1 66 66 GLU CB C 391 29.119 29.119 29.438 -0.319 17685 2290 1 5 . 1 1 66 66 GLU H H 391 8.318 8.318 8.581 -0.263 17685 2291 1 5 . 1 1 67 67 GLU N N 392 121.747 121.747 119.169 2.578 17685 2292 1 5 . 1 1 67 67 GLU HA H 392 4.151 4.151 4.167 -0.016 17685 2293 1 5 . 1 1 67 67 GLU C C 392 180.544 180.544 179.069 1.475 17685 2294 1 5 . 1 1 67 67 GLU CA C 392 58.307 58.307 58.179 0.128 17685 2295 1 5 . 1 1 67 67 GLU CB C 392 30.933 30.933 29.252 1.681 17685 2296 1 5 . 1 1 67 67 GLU H H 392 8.709 8.709 7.783 0.926 17685 2297 1 5 . 1 1 68 68 LEU N N 393 123.523 123.523 120.489 3.034 17685 2298 1 5 . 1 1 68 68 LEU HA H 393 3.923 3.923 4.050 -0.127 17685 2299 1 5 . 1 1 68 68 LEU C C 393 178.151 178.151 179.459 -1.308 17685 2300 1 5 . 1 1 68 68 LEU CA C 393 58.642 58.642 57.968 0.674 17685 2301 1 5 . 1 1 68 68 LEU CB C 393 42.304 42.304 41.508 0.796 17685 2302 1 5 . 1 1 68 68 LEU H H 393 8.930 8.930 8.015 0.915 17685 2303 1 5 . 1 1 69 69 VAL N N 394 118.071 118.071 118.420 -0.349 17685 2304 1 5 . 1 1 69 69 VAL HA H 394 3.527 3.527 3.497 0.030 17685 2305 1 5 . 1 1 69 69 VAL C C 394 177.701 177.701 178.086 -0.385 17685 2306 1 5 . 1 1 69 69 VAL CA C 394 66.494 66.494 66.890 -0.396 17685 2307 1 5 . 1 1 69 69 VAL CB C 394 32.103 32.103 31.216 0.887 17685 2308 1 5 . 1 1 69 69 VAL H H 394 7.304 7.304 7.552 -0.248 17685 2309 1 5 . 1 1 70 70 SER N N 395 112.686 112.686 116.280 -3.594 17685 2310 1 5 . 1 1 70 70 SER HA H 395 4.238 4.238 4.202 0.036 17685 2311 1 5 . 1 1 70 70 SER C C 395 177.618 177.618 176.979 0.639 17685 2312 1 5 . 1 1 70 70 SER CA C 395 61.410 61.410 62.435 -1.026 17685 2313 1 5 . 1 1 70 70 SER CB C 395 63.002 63.002 62.938 0.064 17685 2314 1 5 . 1 1 70 70 SER H H 395 7.906 7.906 7.661 0.245 17685 2315 1 5 . 1 1 71 71 THR N N 396 118.003 118.003 114.863 3.140 17685 2316 1 5 . 1 1 71 71 THR HA H 396 3.767 3.767 4.047 -0.280 17685 2317 1 5 . 1 1 71 71 THR C C 396 175.404 175.404 176.415 -1.011 17685 2318 1 5 . 1 1 71 71 THR CA C 396 67.763 67.763 65.923 1.840 17685 2319 1 5 . 1 1 71 71 THR CB C 396 68.498 68.498 68.709 -0.211 17685 2320 1 5 . 1 1 71 71 THR H H 396 8.511 8.511 8.422 0.089 17685 2321 1 5 . 1 1 72 72 ALA N N 397 123.373 123.373 124.522 -1.149 17685 2322 1 5 . 1 1 72 72 ALA HA H 397 3.857 3.857 3.938 -0.081 17685 2323 1 5 . 1 1 72 72 ALA C C 397 180.173 180.173 178.969 1.204 17685 2324 1 5 . 1 1 72 72 ALA CA C 397 56.079 56.079 55.118 0.961 17685 2325 1 5 . 1 1 72 72 ALA CB C 397 17.767 17.767 18.258 -0.491 17685 2326 1 5 . 1 1 72 72 ALA H H 397 8.268 8.268 8.191 0.077 17685 2327 1 5 . 1 1 73 73 ASP N N 398 118.963 118.963 117.967 0.996 17685 2328 1 5 . 1 1 73 73 ASP HA H 398 4.382 4.382 4.342 0.040 17685 2329 1 5 . 1 1 73 73 ASP C C 398 179.471 179.471 178.673 0.798 17685 2330 1 5 . 1 1 73 73 ASP CA C 398 57.692 57.692 57.562 0.130 17685 2331 1 5 . 1 1 73 73 ASP CB C 398 40.015 40.015 40.914 -0.899 17685 2332 1 5 . 1 1 73 73 ASP H H 398 8.585 8.585 8.445 0.140 17685 2333 1 5 . 1 1 74 74 LYS N N 399 120.591 120.591 118.907 1.684 17685 2334 1 5 . 1 1 74 74 LYS HA H 399 4.050 4.050 4.123 -0.073 17685 2335 1 5 . 1 1 74 74 LYS C C 399 180.082 180.082 179.229 0.853 17685 2336 1 5 . 1 1 74 74 LYS CA C 399 60.001 60.001 58.505 1.496 17685 2337 1 5 . 1 1 74 74 LYS CB C 399 34.080 34.080 32.150 1.930 17685 2338 1 5 . 1 1 74 74 LYS H H 399 8.003 8.003 7.549 0.454 17685 2339 1 5 . 1 1 75 75 ILE N N 400 120.602 120.602 120.459 0.143 17685 2340 1 5 . 1 1 75 75 ILE HA H 400 3.687 3.687 3.916 -0.229 17685 2341 1 5 . 1 1 75 75 ILE C C 400 177.770 177.770 178.376 -0.606 17685 2342 1 5 . 1 1 75 75 ILE CA C 400 64.860 64.860 64.909 -0.049 17685 2343 1 5 . 1 1 75 75 ILE CB C 400 38.253 38.253 37.874 0.379 17685 2344 1 5 . 1 1 75 75 ILE H H 400 7.877 7.877 8.015 -0.138 17685 2345 1 5 . 1 1 76 76 LYS N N 401 120.036 120.036 120.286 -0.250 17685 2346 1 5 . 1 1 76 76 LYS HA H 401 4.032 4.032 4.000 0.032 17685 2347 1 5 . 1 1 76 76 LYS C C 401 178.423 178.423 178.364 0.059 17685 2348 1 5 . 1 1 76 76 LYS CA C 401 58.735 58.735 59.499 -0.764 17685 2349 1 5 . 1 1 76 76 LYS CB C 401 32.325 32.325 32.570 -0.245 17685 2350 1 5 . 1 1 76 76 LYS H H 401 8.260 8.260 8.410 -0.150 17685 2351 1 5 . 1 1 77 77 ALA N N 402 118.655 118.655 119.079 -0.424 17685 2352 1 5 . 1 1 77 77 ALA HA H 402 4.205 4.205 4.321 -0.116 17685 2353 1 5 . 1 1 77 77 ALA C C 402 177.949 177.949 177.859 0.090 17685 2354 1 5 . 1 1 77 77 ALA CA C 402 53.673 53.673 53.110 0.563 17685 2355 1 5 . 1 1 77 77 ALA CB C 402 19.018 19.018 19.574 -0.556 17685 2356 1 5 . 1 1 77 77 ALA H H 402 7.564 7.564 7.691 -0.127 17685 2357 1 5 . 1 1 78 78 ASN N N 403 113.964 113.964 117.332 -3.368 17685 2358 1 5 . 1 1 78 78 ASN HA H 403 4.841 4.841 4.815 0.026 17685 2359 1 5 . 1 1 78 78 ASN C C 403 174.866 174.866 175.212 -0.346 17685 2360 1 5 . 1 1 78 78 ASN CA C 403 52.485 52.485 52.747 -0.262 17685 2361 1 5 . 1 1 78 78 ASN CB C 403 37.659 37.659 39.384 -1.725 17685 2362 1 5 . 1 1 78 78 ASN H H 403 7.397 7.397 7.691 -0.294 17685 2363 1 5 . 1 1 79 79 ALA N N 404 131.057 131.057 127.688 3.369 17685 2364 1 5 . 1 1 79 79 ALA HA H 404 4.160 4.160 4.312 -0.152 17685 2365 1 5 . 1 1 79 79 ALA C C 404 180.575 180.575 178.695 1.880 17685 2366 1 5 . 1 1 79 79 ALA CA C 404 56.271 56.271 54.538 1.732 17685 2367 1 5 . 1 1 79 79 ALA CB C 404 18.357 18.357 18.928 -0.571 17685 2368 1 5 . 1 1 79 79 ALA H H 404 9.143 9.143 8.647 0.496 17685 2369 1 5 . 1 1 80 80 ALA N N 405 117.862 117.862 119.922 -2.060 17685 2370 1 5 . 1 1 80 80 ALA HA H 405 4.362 4.362 4.156 0.206 17685 2371 1 5 . 1 1 80 80 ALA C C 405 179.218 179.218 178.037 1.181 17685 2372 1 5 . 1 1 80 80 ALA CA C 405 53.931 53.931 53.562 0.369 17685 2373 1 5 . 1 1 80 80 ALA CB C 405 18.226 18.226 18.868 -0.642 17685 2374 1 5 . 1 1 80 80 ALA H H 405 8.315 8.315 8.027 0.288 17685 2375 1 5 . 1 1 81 81 GLY N N 406 106.895 106.895 105.244 1.651 17685 2376 1 5 . 1 1 81 81 GLY C C 406 175.175 175.175 174.257 0.918 17685 2377 1 5 . 1 1 81 81 GLY CA C 406 45.363 45.363 43.903 1.460 17685 2378 1 5 . 1 1 81 81 GLY H H 406 7.908 7.908 7.539 0.369 17685 2379 1 5 . 1 1 82 82 ALA N N 407 120.775 120.775 124.683 -3.908 17685 2380 1 5 . 1 1 82 82 ALA HA H 407 3.971 3.971 4.048 -0.077 17685 2381 1 5 . 1 1 82 82 ALA C C 407 177.879 177.879 178.618 -0.739 17685 2382 1 5 . 1 1 82 82 ALA CA C 407 56.076 56.076 55.640 0.436 17685 2383 1 5 . 1 1 82 82 ALA CB C 407 19.120 19.120 18.995 0.125 17685 2384 1 5 . 1 1 82 82 ALA H H 407 7.574 7.574 7.656 -0.082 17685 2385 1 5 . 1 1 83 83 LYS N N 408 117.628 117.628 118.658 -1.030 17685 2386 1 5 . 1 1 83 83 LYS HA H 408 3.352 3.352 3.930 -0.578 17685 2387 1 5 . 1 1 83 83 LYS C C 408 178.064 178.064 177.760 0.304 17685 2388 1 5 . 1 1 83 83 LYS CA C 408 61.404 61.404 59.685 1.719 17685 2389 1 5 . 1 1 83 83 LYS CB C 408 31.311 31.311 31.555 -0.244 17685 2390 1 5 . 1 1 83 83 LYS H H 408 8.755 8.755 8.501 0.254 17685 2391 1 5 . 1 1 84 84 GLU N N 409 116.005 116.005 118.132 -2.127 17685 2392 1 5 . 1 1 84 84 GLU HA H 409 3.994 3.994 4.018 -0.024 17685 2393 1 5 . 1 1 84 84 GLU C C 409 179.508 179.508 178.443 1.065 17685 2394 1 5 . 1 1 84 84 GLU CA C 409 59.300 59.300 58.948 0.352 17685 2395 1 5 . 1 1 84 84 GLU CB C 409 28.978 28.978 28.679 0.299 17685 2396 1 5 . 1 1 84 84 GLU H H 409 7.708 7.708 8.247 -0.539 17685 2397 1 5 . 1 1 85 85 VAL N N 410 120.216 120.216 121.269 -1.053 17685 2398 1 5 . 1 1 85 85 VAL HA H 410 3.786 3.786 3.725 0.061 17685 2399 1 5 . 1 1 85 85 VAL C C 410 179.087 179.087 177.867 1.220 17685 2400 1 5 . 1 1 85 85 VAL CA C 410 66.066 66.066 66.390 -0.324 17685 2401 1 5 . 1 1 85 85 VAL CB C 410 32.060 32.060 31.475 0.585 17685 2402 1 5 . 1 1 85 85 VAL H H 410 7.494 7.494 7.455 0.039 17685 2403 1 5 . 1 1 86 86 LEU N N 411 121.293 121.293 121.197 0.096 17685 2404 1 5 . 1 1 86 86 LEU HA H 411 3.871 3.871 3.945 -0.074 17685 2405 1 5 . 1 1 86 86 LEU C C 411 178.844 178.844 179.474 -0.630 17685 2406 1 5 . 1 1 86 86 LEU CA C 411 58.100 58.100 57.518 0.582 17685 2407 1 5 . 1 1 86 86 LEU CB C 411 42.047 42.047 40.110 1.937 17685 2408 1 5 . 1 1 86 86 LEU H H 411 8.371 8.371 7.894 0.477 17685 2409 1 5 . 1 1 87 87 LYS N N 412 119.536 119.536 118.692 0.844 17685 2410 1 5 . 1 1 87 87 LYS HA H 412 4.206 4.206 4.206 0.000 17685 2411 1 5 . 1 1 87 87 LYS C C 412 179.347 179.347 179.432 -0.085 17685 2412 1 5 . 1 1 87 87 LYS CA C 412 60.924 60.924 59.819 1.105 17685 2413 1 5 . 1 1 87 87 LYS CB C 412 32.216 32.216 32.059 0.157 17685 2414 1 5 . 1 1 87 87 LYS H H 412 8.818 8.818 8.601 0.217 17685 2415 1 5 . 1 1 88 88 GLU N N 413 120.780 120.780 120.371 0.409 17685 2416 1 5 . 1 1 88 88 GLU HA H 413 4.127 4.127 4.120 0.007 17685 2417 1 5 . 1 1 88 88 GLU C C 413 179.469 179.469 178.974 0.495 17685 2418 1 5 . 1 1 88 88 GLU CA C 413 59.720 59.720 59.129 0.591 17685 2419 1 5 . 1 1 88 88 GLU CB C 413 29.021 29.021 29.378 -0.357 17685 2420 1 5 . 1 1 88 88 GLU H H 413 7.882 7.882 7.831 0.051 17685 2421 1 5 . 1 1 89 89 SER N N 414 116.823 116.823 115.546 1.277 17685 2422 1 5 . 1 1 89 89 SER HA H 414 3.765 3.765 4.195 -0.430 17685 2423 1 5 . 1 1 89 89 SER C C 414 176.091 176.091 176.783 -0.692 17685 2424 1 5 . 1 1 89 89 SER CA C 414 63.550 63.550 61.740 1.810 17685 2425 1 5 . 1 1 89 89 SER CB C 414 63.718 63.718 62.898 0.820 17685 2426 1 5 . 1 1 89 89 SER H H 414 8.296 8.296 8.090 0.206 17685 2427 1 5 . 1 1 90 90 ALA N N 415 123.230 123.230 125.783 -2.553 17685 2428 1 5 . 1 1 90 90 ALA HA H 415 3.831 3.831 3.880 -0.049 17685 2429 1 5 . 1 1 90 90 ALA C C 415 177.963 177.963 179.170 -1.207 17685 2430 1 5 . 1 1 90 90 ALA CA C 415 55.415 55.415 55.329 0.086 17685 2431 1 5 . 1 1 90 90 ALA CB C 415 19.432 19.432 18.251 1.181 17685 2432 1 5 . 1 1 90 90 ALA H H 415 8.805 8.805 8.532 0.273 17685 2433 1 5 . 1 1 91 91 LYS N N 416 117.753 117.753 118.412 -0.659 17685 2434 1 5 . 1 1 91 91 LYS HA H 416 3.972 3.972 4.059 -0.087 17685 2435 1 5 . 1 1 91 91 LYS C C 416 178.198 178.198 179.091 -0.893 17685 2436 1 5 . 1 1 91 91 LYS CA C 416 59.817 59.817 58.940 0.878 17685 2437 1 5 . 1 1 91 91 LYS CB C 416 32.247 32.247 31.964 0.283 17685 2438 1 5 . 1 1 91 91 LYS H H 416 8.085 8.085 8.057 0.028 17685 2439 1 5 . 1 1 92 92 THR N N 417 114.597 114.597 117.099 -2.502 17685 2440 1 5 . 1 1 92 92 THR HA H 417 4.075 4.075 4.031 0.044 17685 2441 1 5 . 1 1 92 92 THR C C 417 177.541 177.541 176.472 1.069 17685 2442 1 5 . 1 1 92 92 THR CA C 417 66.473 66.473 67.117 -0.644 17685 2443 1 5 . 1 1 92 92 THR CB C 417 69.070 69.070 68.419 0.651 17685 2444 1 5 . 1 1 92 92 THR H H 417 7.923 7.923 7.775 0.148 17685 2445 1 5 . 1 1 93 93 ILE N N 418 124.160 124.160 122.126 2.034 17685 2446 1 5 . 1 1 93 93 ILE HA H 418 3.662 3.662 3.734 -0.072 17685 2447 1 5 . 1 1 93 93 ILE C C 418 178.114 178.114 177.764 0.350 17685 2448 1 5 . 1 1 93 93 ILE CA C 418 65.626 65.626 65.911 -0.285 17685 2449 1 5 . 1 1 93 93 ILE CB C 418 38.297 38.297 37.681 0.616 17685 2450 1 5 . 1 1 93 93 ILE H H 418 7.984 7.984 8.237 -0.253 17685 2451 1 5 . 1 1 94 94 VAL N N 419 121.566 121.566 121.134 0.432 17685 2452 1 5 . 1 1 94 94 VAL HA H 419 4.156 4.156 4.140 0.016 17685 2453 1 5 . 1 1 94 94 VAL C C 419 181.424 181.424 178.695 2.729 17685 2454 1 5 . 1 1 94 94 VAL CA C 419 65.808 65.808 65.159 0.649 17685 2455 1 5 . 1 1 94 94 VAL CB C 419 31.892 31.892 31.468 0.424 17685 2456 1 5 . 1 1 94 94 VAL H H 419 8.551 8.551 8.341 0.210 17685 2457 1 5 . 1 1 95 95 ASP N N 420 123.788 123.788 121.367 2.421 17685 2458 1 5 . 1 1 95 95 ASP HA H 420 4.477 4.477 4.515 -0.038 17685 2459 1 5 . 1 1 95 95 ASP C C 420 178.220 178.220 177.229 0.991 17685 2460 1 5 . 1 1 95 95 ASP CA C 420 57.548 57.548 56.495 1.053 17685 2461 1 5 . 1 1 95 95 ASP CB C 420 39.850 39.850 40.824 -0.974 17685 2462 1 5 . 1 1 95 95 ASP H H 420 9.354 9.354 8.386 0.968 17685 2463 1 5 . 1 1 96 96 SER N N 421 111.960 111.960 112.506 -0.546 17685 2464 1 5 . 1 1 96 96 SER HA H 421 4.526 4.526 4.576 -0.050 17685 2465 1 5 . 1 1 96 96 SER C C 421 175.345 175.345 174.387 0.958 17685 2466 1 5 . 1 1 96 96 SER CA C 421 59.433 59.433 58.183 1.250 17685 2467 1 5 . 1 1 96 96 SER CB C 421 64.264 64.264 64.156 0.107 17685 2468 1 5 . 1 1 96 96 SER H H 421 7.862 7.862 7.346 0.516 17685 2469 1 5 . 1 1 97 97 GLY N N 422 110.240 110.240 109.484 0.756 17685 2470 1 5 . 1 1 97 97 GLY C C 422 175.158 175.158 175.302 -0.144 17685 2471 1 5 . 1 1 97 97 GLY CA C 422 45.606 45.606 46.342 -0.736 17685 2472 1 5 . 1 1 97 97 GLY H H 422 8.063 8.063 7.752 0.311 17685 2473 1 5 . 1 1 98 98 LYS N N 423 120.213 120.213 119.164 1.049 17685 2474 1 5 . 1 1 98 98 LYS HA H 423 4.083 4.083 4.186 -0.103 17685 2475 1 5 . 1 1 98 98 LYS C C 423 176.681 176.681 176.648 0.033 17685 2476 1 5 . 1 1 98 98 LYS CA C 423 59.417 59.417 58.088 1.329 17685 2477 1 5 . 1 1 98 98 LYS CB C 423 33.453 33.453 33.251 0.202 17685 2478 1 5 . 1 1 98 98 LYS H H 423 7.992 7.992 7.992 -0.000 17685 2479 1 5 . 1 1 99 99 LEU N N 424 114.357 114.357 120.358 -6.001 17685 2480 1 5 . 1 1 99 99 LEU HA H 424 4.848 4.848 4.801 0.047 17685 2481 1 5 . 1 1 99 99 LEU C C 424 174.161 174.161 174.023 0.138 17685 2482 1 5 . 1 1 99 99 LEU CA C 424 52.225 52.225 51.643 0.582 17685 2483 1 5 . 1 1 99 99 LEU CB C 424 46.075 46.075 44.026 2.049 17685 2484 1 5 . 1 1 99 99 LEU H H 424 6.865 6.865 7.311 -0.446 17685 2485 1 5 . 1 1 100 100 PRO HA H 425 4.650 4.650 4.636 0.014 17685 2486 1 5 . 1 1 100 100 PRO C C 425 177.559 177.559 178.226 -0.667 17685 2487 1 5 . 1 1 100 100 PRO CA C 425 61.643 61.643 62.509 -0.866 17685 2488 1 5 . 1 1 100 100 PRO CB C 425 32.422 32.422 32.315 0.107 17685 2489 1 5 . 1 1 101 101 SER N N 426 117.043 117.043 118.656 -1.613 17685 2490 1 5 . 1 1 101 101 SER HA H 426 3.824 3.824 4.046 -0.222 17685 2491 1 5 . 1 1 101 101 SER C C 426 177.202 177.202 175.814 1.388 17685 2492 1 5 . 1 1 101 101 SER CA C 426 61.708 61.708 61.701 0.007 17685 2493 1 5 . 1 1 101 101 SER CB C 426 62.706 62.706 62.557 0.149 17685 2494 1 5 . 1 1 101 101 SER H H 426 8.999 8.999 8.748 0.251 17685 2495 1 5 . 1 1 102 102 SER N N 427 114.761 114.761 116.984 -2.223 17685 2496 1 5 . 1 1 102 102 SER HA H 427 4.112 4.112 4.302 -0.190 17685 2497 1 5 . 1 1 102 102 SER C C 427 176.526 176.526 175.996 0.530 17685 2498 1 5 . 1 1 102 102 SER CA C 427 60.650 60.650 61.330 -0.680 17685 2499 1 5 . 1 1 102 102 SER CB C 427 62.213 62.213 63.001 -0.788 17685 2500 1 5 . 1 1 102 102 SER H H 427 8.115 8.115 8.207 -0.092 17685 2501 1 5 . 1 1 103 103 LEU N N 428 120.408 120.408 118.581 1.827 17685 2502 1 5 . 1 1 103 103 LEU HA H 428 4.435 4.435 4.290 0.145 17685 2503 1 5 . 1 1 103 103 LEU C C 428 176.698 176.698 176.609 0.089 17685 2504 1 5 . 1 1 103 103 LEU CA C 428 55.847 55.847 55.943 -0.096 17685 2505 1 5 . 1 1 103 103 LEU CB C 428 42.586 42.586 42.316 0.270 17685 2506 1 5 . 1 1 103 103 LEU H H 428 7.320 7.320 7.789 -0.469 17685 2507 1 5 . 1 1 104 104 LEU N N 429 117.860 117.860 116.427 1.433 17685 2508 1 5 . 1 1 104 104 LEU HA H 429 4.995 4.995 4.719 0.276 17685 2509 1 5 . 1 1 104 104 LEU C C 429 178.320 178.320 177.121 1.199 17685 2510 1 5 . 1 1 104 104 LEU CA C 429 52.672 52.672 53.680 -1.008 17685 2511 1 5 . 1 1 104 104 LEU CB C 429 43.039 43.039 41.060 1.979 17685 2512 1 5 . 1 1 104 104 LEU H H 429 7.325 7.325 7.410 -0.085 17685 2513 1 5 . 1 1 105 105 SER N N 430 112.664 112.664 116.250 -3.586 17685 2514 1 5 . 1 1 105 105 SER HA H 430 4.259 4.259 4.351 -0.092 17685 2515 1 5 . 1 1 105 105 SER C C 430 175.288 175.288 175.063 0.225 17685 2516 1 5 . 1 1 105 105 SER CA C 430 61.247 61.247 61.117 0.130 17685 2517 1 5 . 1 1 105 105 SER CB C 430 64.058 64.058 63.154 0.904 17685 2518 1 5 . 1 1 105 105 SER H H 430 6.990 6.990 7.783 -0.793 17685 2519 1 5 . 1 1 106 106 TYR N N 431 125.624 125.624 119.779 5.845 17685 2520 1 5 . 1 1 106 106 TYR HA H 431 4.060 4.060 4.213 -0.153 17685 2521 1 5 . 1 1 106 106 TYR C C 431 176.064 176.064 175.151 0.913 17685 2522 1 5 . 1 1 106 106 TYR CA C 431 61.449 61.449 59.987 1.462 17685 2523 1 5 . 1 1 106 106 TYR CB C 431 38.282 38.282 38.727 -0.445 17685 2524 1 5 . 1 1 106 106 TYR H H 431 10.433 10.433 8.005 2.428 17685 2525 1 5 . 1 1 107 107 PHE N N 432 113.203 113.203 114.011 -0.808 17685 2526 1 5 . 1 1 107 107 PHE HA H 432 4.314 4.314 4.476 -0.162 17685 2527 1 5 . 1 1 107 107 PHE C C 432 173.901 173.901 175.203 -1.302 17685 2528 1 5 . 1 1 107 107 PHE CA C 432 59.810 59.810 59.204 0.606 17685 2529 1 5 . 1 1 107 107 PHE CB C 432 43.249 43.249 40.777 2.472 17685 2530 1 5 . 1 1 107 107 PHE H H 432 7.955 7.955 7.785 0.170 17685 2531 1 6 . 1 1 22 22 SER N N 347 116.741 116.741 115.451 1.290 17685 2532 1 6 . 1 1 22 22 SER HA H 347 4.355 4.355 4.280 0.075 17685 2533 1 6 . 1 1 22 22 SER C C 347 176.272 176.272 176.262 0.010 17685 2534 1 6 . 1 1 22 22 SER CA C 347 59.651 59.651 60.470 -0.819 17685 2535 1 6 . 1 1 22 22 SER CB C 347 63.231 63.231 63.372 -0.141 17685 2536 1 6 . 1 1 22 22 SER H H 347 8.311 8.311 8.617 -0.306 17685 2537 1 6 . 1 1 23 23 LYS N N 348 124.398 124.398 120.825 3.573 17685 2538 1 6 . 1 1 23 23 LYS HA H 348 4.142 4.142 4.328 -0.186 17685 2539 1 6 . 1 1 23 23 LYS C C 348 178.743 178.743 178.785 -0.042 17685 2540 1 6 . 1 1 23 23 LYS CA C 348 59.304 59.304 59.056 0.248 17685 2541 1 6 . 1 1 23 23 LYS CB C 348 32.301 32.301 32.024 0.277 17685 2542 1 6 . 1 1 23 23 LYS H H 348 8.611 8.611 8.235 0.376 17685 2543 1 6 . 1 1 24 24 ALA N N 349 122.494 122.494 120.351 2.143 17685 2544 1 6 . 1 1 24 24 ALA HA H 349 4.137 4.137 4.285 -0.148 17685 2545 1 6 . 1 1 24 24 ALA C C 349 179.869 179.869 179.474 0.395 17685 2546 1 6 . 1 1 24 24 ALA CA C 349 54.811 54.811 54.387 0.424 17685 2547 1 6 . 1 1 24 24 ALA CB C 349 18.284 18.284 17.996 0.288 17685 2548 1 6 . 1 1 24 24 ALA H H 349 8.245 8.245 7.713 0.532 17685 2549 1 6 . 1 1 25 25 ALA N N 350 121.576 121.576 121.102 0.474 17685 2550 1 6 . 1 1 25 25 ALA HA H 350 4.136 4.136 4.070 0.066 17685 2551 1 6 . 1 1 25 25 ALA C C 350 178.743 178.743 179.108 -0.365 17685 2552 1 6 . 1 1 25 25 ALA CA C 350 54.632 54.632 54.629 0.003 17685 2553 1 6 . 1 1 25 25 ALA CB C 350 18.299 18.299 18.233 0.066 17685 2554 1 6 . 1 1 25 25 ALA H H 350 8.014 8.014 7.577 0.437 17685 2555 1 6 . 1 1 26 26 LYS N N 351 119.618 119.618 120.142 -0.524 17685 2556 1 6 . 1 1 26 26 LYS HA H 351 4.196 4.196 3.872 0.324 17685 2557 1 6 . 1 1 26 26 LYS C C 351 178.485 178.485 178.163 0.322 17685 2558 1 6 . 1 1 26 26 LYS CA C 351 60.014 60.014 60.063 -0.049 17685 2559 1 6 . 1 1 26 26 LYS CB C 351 32.511 32.511 32.114 0.397 17685 2560 1 6 . 1 1 26 26 LYS H H 351 7.831 7.831 8.189 -0.358 17685 2561 1 6 . 1 1 27 27 LYS N N 352 118.080 118.080 118.261 -0.181 17685 2562 1 6 . 1 1 27 27 LYS HA H 352 3.958 3.958 3.989 -0.031 17685 2563 1 6 . 1 1 27 27 LYS C C 352 179.564 179.564 178.915 0.649 17685 2564 1 6 . 1 1 27 27 LYS CA C 352 60.092 60.092 59.526 0.566 17685 2565 1 6 . 1 1 27 27 LYS CB C 352 32.550 32.550 32.280 0.270 17685 2566 1 6 . 1 1 27 27 LYS H H 352 7.905 7.905 7.581 0.324 17685 2567 1 6 . 1 1 28 28 LYS N N 353 119.878 119.878 119.127 0.751 17685 2568 1 6 . 1 1 28 28 LYS HA H 353 4.023 4.023 3.992 0.031 17685 2569 1 6 . 1 1 28 28 LYS C C 353 179.270 179.270 179.034 0.236 17685 2570 1 6 . 1 1 28 28 LYS CA C 353 59.806 59.806 59.516 0.290 17685 2571 1 6 . 1 1 28 28 LYS CB C 353 32.324 32.324 32.296 0.028 17685 2572 1 6 . 1 1 28 28 LYS H H 353 7.934 7.934 7.457 0.477 17685 2573 1 6 . 1 1 29 29 ASN N N 354 119.780 119.780 118.329 1.451 17685 2574 1 6 . 1 1 29 29 ASN HA H 354 4.557 4.557 4.482 0.075 17685 2575 1 6 . 1 1 29 29 ASN C C 354 177.395 177.395 177.667 -0.272 17685 2576 1 6 . 1 1 29 29 ASN CA C 354 56.167 56.167 55.750 0.417 17685 2577 1 6 . 1 1 29 29 ASN CB C 354 37.928 37.928 38.111 -0.183 17685 2578 1 6 . 1 1 29 29 ASN H H 354 8.524 8.524 8.574 -0.050 17685 2579 1 6 . 1 1 30 30 LYS N N 355 118.850 118.850 119.870 -1.020 17685 2580 1 6 . 1 1 30 30 LYS HA H 355 3.820 3.820 3.908 -0.088 17685 2581 1 6 . 1 1 30 30 LYS C C 355 178.266 178.266 179.047 -0.781 17685 2582 1 6 . 1 1 30 30 LYS CA C 355 61.698 61.698 60.016 1.682 17685 2583 1 6 . 1 1 30 30 LYS CB C 355 33.000 33.000 32.136 0.864 17685 2584 1 6 . 1 1 30 30 LYS H H 355 8.599 8.599 8.664 -0.065 17685 2585 1 6 . 1 1 31 31 ARG N N 356 118.226 118.226 119.437 -1.211 17685 2586 1 6 . 1 1 31 31 ARG HA H 356 3.940 3.940 4.113 -0.173 17685 2587 1 6 . 1 1 31 31 ARG C C 356 177.676 177.676 178.234 -0.558 17685 2588 1 6 . 1 1 31 31 ARG CA C 356 59.316 59.316 58.927 0.389 17685 2589 1 6 . 1 1 31 31 ARG CB C 356 30.266 30.266 30.281 -0.015 17685 2590 1 6 . 1 1 31 31 ARG H H 356 7.809 7.809 7.543 0.266 17685 2591 1 6 . 1 1 32 32 ALA N N 357 120.780 120.780 122.640 -1.860 17685 2592 1 6 . 1 1 32 32 ALA HA H 357 4.104 4.104 3.990 0.114 17685 2593 1 6 . 1 1 32 32 ALA C C 357 181.157 181.157 179.681 1.476 17685 2594 1 6 . 1 1 32 32 ALA CA C 357 55.118 55.118 55.180 -0.062 17685 2595 1 6 . 1 1 32 32 ALA CB C 357 18.064 18.064 18.486 -0.423 17685 2596 1 6 . 1 1 32 32 ALA H H 357 8.155 8.155 8.017 0.138 17685 2597 1 6 . 1 1 33 33 ILE N N 358 116.468 116.468 116.943 -0.475 17685 2598 1 6 . 1 1 33 33 ILE HA H 358 3.590 3.590 3.710 -0.120 17685 2599 1 6 . 1 1 33 33 ILE C C 358 179.458 179.458 178.271 1.187 17685 2600 1 6 . 1 1 33 33 ILE CA C 358 65.775 65.775 63.560 2.215 17685 2601 1 6 . 1 1 33 33 ILE CB C 358 38.592 38.592 36.725 1.867 17685 2602 1 6 . 1 1 33 33 ILE H H 358 7.929 7.929 8.584 -0.655 17685 2603 1 6 . 1 1 34 34 ARG N N 359 119.937 119.937 120.016 -0.079 17685 2604 1 6 . 1 1 34 34 ARG HA H 359 3.998 3.998 4.014 -0.016 17685 2605 1 6 . 1 1 34 34 ARG C C 359 179.124 179.124 178.901 0.223 17685 2606 1 6 . 1 1 34 34 ARG CA C 359 60.029 60.029 60.141 -0.112 17685 2607 1 6 . 1 1 34 34 ARG CB C 359 30.576 30.576 29.804 0.772 17685 2608 1 6 . 1 1 34 34 ARG H H 359 8.672 8.672 7.544 1.128 17685 2609 1 6 . 1 1 35 35 ASN N N 360 116.359 116.359 117.834 -1.475 17685 2610 1 6 . 1 1 35 35 ASN HA H 360 4.575 4.575 4.521 0.054 17685 2611 1 6 . 1 1 35 35 ASN C C 360 175.723 175.723 176.632 -0.909 17685 2612 1 6 . 1 1 35 35 ASN CA C 360 54.215 54.215 55.768 -1.553 17685 2613 1 6 . 1 1 35 35 ASN CB C 360 38.575 38.575 37.913 0.663 17685 2614 1 6 . 1 1 35 35 ASN H H 360 8.454 8.454 8.401 0.053 17685 2615 1 6 . 1 1 36 36 SER N N 361 115.734 115.734 115.981 -0.247 17685 2616 1 6 . 1 1 36 36 SER HA H 361 3.995 3.995 4.196 -0.201 17685 2617 1 6 . 1 1 36 36 SER C C 361 176.129 176.129 175.929 0.200 17685 2618 1 6 . 1 1 36 36 SER CA C 361 62.349 62.349 61.811 0.538 17685 2619 1 6 . 1 1 36 36 SER CB C 361 63.664 63.664 62.930 0.734 17685 2620 1 6 . 1 1 36 36 SER H H 361 7.617 7.617 7.583 0.034 17685 2621 1 6 . 1 1 37 37 ALA N N 362 124.421 124.421 123.748 0.673 17685 2622 1 6 . 1 1 37 37 ALA HA H 362 3.770 3.770 3.876 -0.106 17685 2623 1 6 . 1 1 37 37 ALA C C 362 178.482 178.482 178.283 0.199 17685 2624 1 6 . 1 1 37 37 ALA CA C 362 54.821 54.821 54.151 0.670 17685 2625 1 6 . 1 1 37 37 ALA CB C 362 18.347 18.347 17.950 0.397 17685 2626 1 6 . 1 1 37 37 ALA H H 362 6.868 6.868 7.649 -0.781 17685 2627 1 6 . 1 1 38 38 LYS N N 363 122.319 122.319 117.382 4.937 17685 2628 1 6 . 1 1 38 38 LYS HA H 363 2.913 2.913 4.110 -1.197 17685 2629 1 6 . 1 1 38 38 LYS C C 363 180.669 180.669 179.382 1.287 17685 2630 1 6 . 1 1 38 38 LYS CA C 363 59.567 59.567 59.203 0.364 17685 2631 1 6 . 1 1 38 38 LYS CB C 363 31.563 31.563 32.415 -0.852 17685 2632 1 6 . 1 1 38 38 LYS H H 363 8.317 8.317 7.578 0.739 17685 2633 1 6 . 1 1 39 39 GLU N N 364 118.666 118.666 118.020 0.646 17685 2634 1 6 . 1 1 39 39 GLU HA H 364 4.015 4.015 4.213 -0.198 17685 2635 1 6 . 1 1 39 39 GLU C C 364 176.609 176.609 178.186 -1.577 17685 2636 1 6 . 1 1 39 39 GLU CA C 364 58.674 58.674 58.518 0.156 17685 2637 1 6 . 1 1 39 39 GLU CB C 364 29.058 29.058 29.544 -0.486 17685 2638 1 6 . 1 1 39 39 GLU H H 364 7.935 7.935 7.659 0.276 17685 2639 1 6 . 1 1 40 40 ALA N N 365 121.145 121.145 120.570 0.575 17685 2640 1 6 . 1 1 40 40 ALA HA H 365 4.663 4.663 4.410 0.253 17685 2641 1 6 . 1 1 40 40 ALA C C 365 177.688 177.688 175.626 2.062 17685 2642 1 6 . 1 1 40 40 ALA CA C 365 50.931 50.931 51.585 -0.654 17685 2643 1 6 . 1 1 40 40 ALA CB C 365 18.566 18.566 19.516 -0.950 17685 2644 1 6 . 1 1 40 40 ALA H H 365 7.049 7.049 7.963 -0.914 17685 2645 1 6 . 1 1 41 41 ASP N N 366 121.103 121.103 116.607 4.496 17685 2646 1 6 . 1 1 41 41 ASP HA H 366 4.338 4.338 4.265 0.073 17685 2647 1 6 . 1 1 41 41 ASP C C 366 175.644 175.644 175.280 0.364 17685 2648 1 6 . 1 1 41 41 ASP CA C 366 55.898 55.898 55.056 0.842 17685 2649 1 6 . 1 1 41 41 ASP CB C 366 39.353 39.353 40.526 -1.173 17685 2650 1 6 . 1 1 41 41 ASP H H 366 8.099 8.099 7.161 0.938 17685 2651 1 6 . 1 1 42 42 TYR N N 367 110.700 110.700 119.845 -9.145 17685 2652 1 6 . 1 1 42 42 TYR HA H 367 2.485 2.485 4.116 -1.631 17685 2653 1 6 . 1 1 42 42 TYR C C 367 174.307 174.307 176.223 -1.916 17685 2654 1 6 . 1 1 42 42 TYR CA C 367 61.064 61.064 58.349 2.715 17685 2655 1 6 . 1 1 42 42 TYR CB C 367 34.242 34.242 38.195 -3.953 17685 2656 1 6 . 1 1 42 42 TYR H H 367 8.364 8.364 8.799 -0.435 17685 2657 1 6 . 1 1 43 43 PHE N N 368 111.305 111.305 117.266 -5.961 17685 2658 1 6 . 1 1 43 43 PHE HA H 368 4.666 4.666 4.192 0.474 17685 2659 1 6 . 1 1 43 43 PHE C C 368 177.162 177.162 176.368 0.794 17685 2660 1 6 . 1 1 43 43 PHE CA C 368 56.561 56.561 58.624 -2.063 17685 2661 1 6 . 1 1 43 43 PHE CB C 368 36.514 36.514 36.737 -0.223 17685 2662 1 6 . 1 1 43 43 PHE H H 368 7.666 7.666 7.858 -0.192 17685 2663 1 6 . 1 1 44 44 GLY N N 369 106.300 106.300 104.641 1.659 17685 2664 1 6 . 1 1 44 44 GLY C C 369 174.446 174.446 175.153 -0.707 17685 2665 1 6 . 1 1 44 44 GLY CA C 369 45.780 45.780 45.208 0.572 17685 2666 1 6 . 1 1 44 44 GLY H H 369 7.671 7.671 8.480 -0.809 17685 2667 1 6 . 1 1 45 45 ASP N N 370 122.876 122.876 121.003 1.873 17685 2668 1 6 . 1 1 45 45 ASP HA H 370 5.323 5.323 4.983 0.340 17685 2669 1 6 . 1 1 45 45 ASP C C 370 176.360 176.360 176.173 0.187 17685 2670 1 6 . 1 1 45 45 ASP CA C 370 53.322 53.322 53.635 -0.313 17685 2671 1 6 . 1 1 45 45 ASP CB C 370 41.391 41.391 41.245 0.146 17685 2672 1 6 . 1 1 45 45 ASP H H 370 8.331 8.331 8.230 0.101 17685 2673 1 6 . 1 1 46 46 ALA N N 371 121.771 121.771 122.745 -0.974 17685 2674 1 6 . 1 1 46 46 ALA HA H 371 3.600 3.600 3.879 -0.279 17685 2675 1 6 . 1 1 46 46 ALA C C 371 179.111 179.111 178.788 0.323 17685 2676 1 6 . 1 1 46 46 ALA CA C 371 56.038 56.038 54.726 1.312 17685 2677 1 6 . 1 1 46 46 ALA CB C 371 17.942 17.942 18.709 -0.767 17685 2678 1 6 . 1 1 46 46 ALA H H 371 8.282 8.282 8.178 0.104 17685 2679 1 6 . 1 1 47 47 ASP N N 372 116.273 116.273 117.068 -0.795 17685 2680 1 6 . 1 1 47 47 ASP HA H 372 4.359 4.359 4.465 -0.106 17685 2681 1 6 . 1 1 47 47 ASP C C 372 177.019 177.019 177.202 -0.183 17685 2682 1 6 . 1 1 47 47 ASP CA C 372 55.832 55.832 56.147 -0.315 17685 2683 1 6 . 1 1 47 47 ASP CB C 372 39.190 39.190 40.607 -1.417 17685 2684 1 6 . 1 1 47 47 ASP H H 372 9.068 9.068 8.718 0.350 17685 2685 1 6 . 1 1 48 48 LYS N N 373 120.180 120.180 116.187 3.993 17685 2686 1 6 . 1 1 48 48 LYS HA H 373 4.723 4.723 4.677 0.046 17685 2687 1 6 . 1 1 48 48 LYS C C 373 175.542 175.542 176.271 -0.729 17685 2688 1 6 . 1 1 48 48 LYS CA C 373 54.787 54.787 55.299 -0.512 17685 2689 1 6 . 1 1 48 48 LYS CB C 373 32.179 32.179 32.106 0.073 17685 2690 1 6 . 1 1 48 48 LYS H H 373 8.050 8.050 7.669 0.381 17685 2691 1 6 . 1 1 49 49 ALA N N 374 122.498 122.498 123.818 -1.320 17685 2692 1 6 . 1 1 49 49 ALA HA H 374 3.068 3.068 4.191 -1.123 17685 2693 1 6 . 1 1 49 49 ALA C C 374 177.781 177.781 179.202 -1.421 17685 2694 1 6 . 1 1 49 49 ALA CA C 374 56.962 56.962 56.388 0.574 17685 2695 1 6 . 1 1 49 49 ALA CB C 374 17.855 17.855 18.261 -0.406 17685 2696 1 6 . 1 1 49 49 ALA H H 374 7.045 7.045 7.542 -0.497 17685 2697 1 6 . 1 1 50 50 THR N N 375 108.573 108.573 112.711 -4.138 17685 2698 1 6 . 1 1 50 50 THR HA H 375 4.044 4.044 4.043 0.001 17685 2699 1 6 . 1 1 50 50 THR C C 375 177.647 177.647 176.578 1.069 17685 2700 1 6 . 1 1 50 50 THR CA C 375 66.201 66.201 67.677 -1.476 17685 2701 1 6 . 1 1 50 50 THR CB C 375 68.334 68.334 68.126 0.208 17685 2702 1 6 . 1 1 50 50 THR H H 375 8.285 8.285 8.370 -0.085 17685 2703 1 6 . 1 1 51 51 THR N N 376 120.018 120.018 119.603 0.415 17685 2704 1 6 . 1 1 51 51 THR HA H 376 4.147 4.147 4.054 0.093 17685 2705 1 6 . 1 1 51 51 THR C C 376 175.499 175.499 176.384 -0.885 17685 2706 1 6 . 1 1 51 51 THR CA C 376 66.145 66.145 66.975 -0.830 17685 2707 1 6 . 1 1 51 51 THR CB C 376 69.382 69.382 68.299 1.083 17685 2708 1 6 . 1 1 51 51 THR H H 376 7.359 7.359 7.390 -0.031 17685 2709 1 6 . 1 1 52 52 ILE N N 377 122.319 122.319 123.098 -0.779 17685 2710 1 6 . 1 1 52 52 ILE HA H 377 3.168 3.168 3.938 -0.770 17685 2711 1 6 . 1 1 52 52 ILE C C 377 177.879 177.879 178.210 -0.331 17685 2712 1 6 . 1 1 52 52 ILE CA C 377 67.070 67.070 65.805 1.265 17685 2713 1 6 . 1 1 52 52 ILE CB C 377 38.257 38.257 37.856 0.401 17685 2714 1 6 . 1 1 52 52 ILE H H 377 8.346 8.346 8.578 -0.232 17685 2715 1 6 . 1 1 53 53 ASP N N 378 117.696 117.696 119.622 -1.926 17685 2716 1 6 . 1 1 53 53 ASP HA H 378 4.739 4.739 4.321 0.418 17685 2717 1 6 . 1 1 53 53 ASP C C 378 180.094 180.094 178.563 1.531 17685 2718 1 6 . 1 1 53 53 ASP CA C 378 58.044 58.044 58.708 -0.664 17685 2719 1 6 . 1 1 53 53 ASP CB C 378 39.648 39.648 40.564 -0.916 17685 2720 1 6 . 1 1 53 53 ASP H H 378 8.991 8.991 8.511 0.480 17685 2721 1 6 . 1 1 54 54 GLU N N 379 121.956 121.956 120.176 1.780 17685 2722 1 6 . 1 1 54 54 GLU HA H 379 4.174 4.174 3.957 0.217 17685 2723 1 6 . 1 1 54 54 GLU C C 379 179.679 179.679 178.787 0.892 17685 2724 1 6 . 1 1 54 54 GLU CA C 379 59.572 59.572 59.482 0.090 17685 2725 1 6 . 1 1 54 54 GLU CB C 379 29.324 29.324 29.743 -0.419 17685 2726 1 6 . 1 1 54 54 GLU H H 379 7.946 7.946 8.136 -0.190 17685 2727 1 6 . 1 1 55 55 GLN N N 380 120.733 120.733 119.146 1.587 17685 2728 1 6 . 1 1 55 55 GLN HA H 380 4.171 4.171 4.057 0.114 17685 2729 1 6 . 1 1 55 55 GLN C C 380 178.288 178.288 178.749 -0.461 17685 2730 1 6 . 1 1 55 55 GLN CA C 380 59.994 59.994 58.955 1.039 17685 2731 1 6 . 1 1 55 55 GLN CB C 380 29.566 29.566 29.092 0.474 17685 2732 1 6 . 1 1 55 55 GLN H H 380 8.357 8.357 8.501 -0.144 17685 2733 1 6 . 1 1 56 56 VAL N N 381 120.353 120.353 118.849 1.504 17685 2734 1 6 . 1 1 56 56 VAL HA H 381 3.536 3.536 3.549 -0.013 17685 2735 1 6 . 1 1 56 56 VAL C C 381 178.220 178.220 178.012 0.208 17685 2736 1 6 . 1 1 56 56 VAL CA C 381 67.557 67.557 66.795 0.762 17685 2737 1 6 . 1 1 56 56 VAL CB C 381 31.349 31.349 30.606 0.743 17685 2738 1 6 . 1 1 56 56 VAL H H 381 9.484 9.484 8.531 0.953 17685 2739 1 6 . 1 1 57 57 GLY N N 382 106.926 106.926 108.197 -1.271 17685 2740 1 6 . 1 1 57 57 GLY C C 382 174.843 174.843 176.432 -1.589 17685 2741 1 6 . 1 1 57 57 GLY CA C 382 47.694 47.694 47.244 0.450 17685 2742 1 6 . 1 1 57 57 GLY H H 382 8.169 8.169 7.438 0.731 17685 2743 1 6 . 1 1 58 58 LEU N N 383 120.610 120.610 122.898 -2.288 17685 2744 1 6 . 1 1 58 58 LEU HA H 383 4.151 4.151 4.027 0.124 17685 2745 1 6 . 1 1 58 58 LEU C C 383 180.087 180.087 179.226 0.861 17685 2746 1 6 . 1 1 58 58 LEU CA C 383 57.974 57.974 58.204 -0.230 17685 2747 1 6 . 1 1 58 58 LEU CB C 383 42.125 42.125 41.493 0.631 17685 2748 1 6 . 1 1 58 58 LEU H H 383 7.568 7.568 7.882 -0.314 17685 2749 1 6 . 1 1 59 59 ILE N N 384 120.213 120.213 118.962 1.251 17685 2750 1 6 . 1 1 59 59 ILE HA H 384 3.416 3.416 3.529 -0.113 17685 2751 1 6 . 1 1 59 59 ILE C C 384 178.310 178.310 177.916 0.394 17685 2752 1 6 . 1 1 59 59 ILE CA C 384 66.069 66.069 65.597 0.472 17685 2753 1 6 . 1 1 59 59 ILE CB C 384 38.233 38.233 37.827 0.406 17685 2754 1 6 . 1 1 59 59 ILE H H 384 8.057 8.057 7.871 0.186 17685 2755 1 6 . 1 1 60 60 VAL N N 385 115.546 115.546 114.451 1.095 17685 2756 1 6 . 1 1 60 60 VAL HA H 385 3.560 3.560 3.706 -0.146 17685 2757 1 6 . 1 1 60 60 VAL C C 385 177.921 177.921 177.118 0.803 17685 2758 1 6 . 1 1 60 60 VAL CA C 385 66.702 66.702 65.125 1.577 17685 2759 1 6 . 1 1 60 60 VAL CB C 385 31.565 31.565 31.735 -0.170 17685 2760 1 6 . 1 1 60 60 VAL H H 385 8.672 8.672 8.180 0.492 17685 2761 1 6 . 1 1 61 61 ASP N N 386 117.831 117.831 119.071 -1.240 17685 2762 1 6 . 1 1 61 61 ASP HA H 386 4.571 4.571 4.560 0.011 17685 2763 1 6 . 1 1 61 61 ASP C C 386 177.238 177.238 177.352 -0.114 17685 2764 1 6 . 1 1 61 61 ASP CA C 386 56.184 56.184 55.987 0.196 17685 2765 1 6 . 1 1 61 61 ASP CB C 386 40.632 40.632 41.631 -0.999 17685 2766 1 6 . 1 1 61 61 ASP H H 386 7.988 7.988 8.335 -0.347 17685 2767 1 6 . 1 1 62 62 SER N N 387 114.761 114.761 114.347 0.414 17685 2768 1 6 . 1 1 62 62 SER HA H 387 4.577 4.577 4.503 0.074 17685 2769 1 6 . 1 1 62 62 SER C C 387 173.645 173.645 173.932 -0.287 17685 2770 1 6 . 1 1 62 62 SER CA C 387 59.694 59.694 59.864 -0.170 17685 2771 1 6 . 1 1 62 62 SER CB C 387 64.588 64.588 63.812 0.776 17685 2772 1 6 . 1 1 62 62 SER H H 387 7.755 7.755 7.554 0.201 17685 2773 1 6 . 1 1 63 63 LEU N N 388 121.610 121.610 121.015 0.595 17685 2774 1 6 . 1 1 63 63 LEU HA H 388 4.506 4.506 4.402 0.104 17685 2775 1 6 . 1 1 63 63 LEU C C 388 177.071 177.071 174.704 2.367 17685 2776 1 6 . 1 1 63 63 LEU CA C 388 54.490 54.490 53.706 0.784 17685 2777 1 6 . 1 1 63 63 LEU CB C 388 42.414 42.414 43.454 -1.040 17685 2778 1 6 . 1 1 63 63 LEU H H 388 7.083 7.083 7.184 -0.101 17685 2779 1 6 . 1 1 64 64 ASN N N 389 122.154 122.154 116.992 5.162 17685 2780 1 6 . 1 1 64 64 ASN HA H 389 4.748 4.748 4.768 -0.020 17685 2781 1 6 . 1 1 64 64 ASN C C 389 175.144 175.144 175.599 -0.455 17685 2782 1 6 . 1 1 64 64 ASN CA C 389 51.898 51.898 51.491 0.407 17685 2783 1 6 . 1 1 64 64 ASN CB C 389 37.762 37.762 39.372 -1.610 17685 2784 1 6 . 1 1 64 64 ASN H H 389 9.587 9.587 8.152 1.435 17685 2785 1 6 . 1 1 65 65 ASP N N 390 116.882 116.882 119.625 -2.743 17685 2786 1 6 . 1 1 65 65 ASP HA H 390 4.288 4.288 4.221 0.068 17685 2787 1 6 . 1 1 65 65 ASP C C 390 178.601 178.601 178.074 0.527 17685 2788 1 6 . 1 1 65 65 ASP CA C 390 58.992 58.992 58.601 0.391 17685 2789 1 6 . 1 1 65 65 ASP CB C 390 40.168 40.168 40.705 -0.537 17685 2790 1 6 . 1 1 65 65 ASP H H 390 8.504 8.504 8.829 -0.325 17685 2791 1 6 . 1 1 66 66 GLU N N 391 119.807 119.807 117.946 1.861 17685 2792 1 6 . 1 1 66 66 GLU HA H 391 4.048 4.048 4.019 0.029 17685 2793 1 6 . 1 1 66 66 GLU C C 391 179.549 179.549 178.562 0.987 17685 2794 1 6 . 1 1 66 66 GLU CA C 391 59.943 59.943 59.264 0.679 17685 2795 1 6 . 1 1 66 66 GLU CB C 391 29.119 29.119 29.527 -0.408 17685 2796 1 6 . 1 1 66 66 GLU H H 391 8.318 8.318 8.595 -0.277 17685 2797 1 6 . 1 1 67 67 GLU N N 392 121.747 121.747 119.936 1.811 17685 2798 1 6 . 1 1 67 67 GLU HA H 392 4.151 4.151 4.111 0.040 17685 2799 1 6 . 1 1 67 67 GLU C C 392 180.544 180.544 179.062 1.482 17685 2800 1 6 . 1 1 67 67 GLU CA C 392 58.307 58.307 58.458 -0.151 17685 2801 1 6 . 1 1 67 67 GLU CB C 392 30.933 30.933 29.137 1.796 17685 2802 1 6 . 1 1 67 67 GLU H H 392 8.709 8.709 7.813 0.896 17685 2803 1 6 . 1 1 68 68 LEU N N 393 123.523 123.523 120.836 2.687 17685 2804 1 6 . 1 1 68 68 LEU HA H 393 3.923 3.923 4.098 -0.175 17685 2805 1 6 . 1 1 68 68 LEU C C 393 178.151 178.151 179.584 -1.433 17685 2806 1 6 . 1 1 68 68 LEU CA C 393 58.642 58.642 57.902 0.740 17685 2807 1 6 . 1 1 68 68 LEU CB C 393 42.304 42.304 41.577 0.727 17685 2808 1 6 . 1 1 68 68 LEU H H 393 8.930 8.930 8.236 0.694 17685 2809 1 6 . 1 1 69 69 VAL N N 394 118.071 118.071 118.990 -0.919 17685 2810 1 6 . 1 1 69 69 VAL HA H 394 3.527 3.527 3.744 -0.217 17685 2811 1 6 . 1 1 69 69 VAL C C 394 177.701 177.701 177.727 -0.026 17685 2812 1 6 . 1 1 69 69 VAL CA C 394 66.494 66.494 65.031 1.463 17685 2813 1 6 . 1 1 69 69 VAL CB C 394 32.103 32.103 30.927 1.177 17685 2814 1 6 . 1 1 69 69 VAL H H 394 7.304 7.304 7.665 -0.361 17685 2815 1 6 . 1 1 70 70 SER N N 395 112.686 112.686 115.334 -2.648 17685 2816 1 6 . 1 1 70 70 SER HA H 395 4.238 4.238 4.177 0.061 17685 2817 1 6 . 1 1 70 70 SER C C 395 177.618 177.618 176.767 0.851 17685 2818 1 6 . 1 1 70 70 SER CA C 395 61.410 61.410 62.122 -0.712 17685 2819 1 6 . 1 1 70 70 SER CB C 395 63.002 63.002 62.930 0.072 17685 2820 1 6 . 1 1 70 70 SER H H 395 7.906 7.906 8.043 -0.137 17685 2821 1 6 . 1 1 71 71 THR N N 396 118.003 118.003 115.775 2.228 17685 2822 1 6 . 1 1 71 71 THR HA H 396 3.767 3.767 3.957 -0.190 17685 2823 1 6 . 1 1 71 71 THR C C 396 175.404 175.404 176.460 -1.056 17685 2824 1 6 . 1 1 71 71 THR CA C 396 67.763 67.763 65.692 2.071 17685 2825 1 6 . 1 1 71 71 THR CB C 396 68.498 68.498 68.727 -0.229 17685 2826 1 6 . 1 1 71 71 THR H H 396 8.511 8.511 8.364 0.147 17685 2827 1 6 . 1 1 72 72 ALA N N 397 123.373 123.373 124.311 -0.938 17685 2828 1 6 . 1 1 72 72 ALA HA H 397 3.857 3.857 3.919 -0.062 17685 2829 1 6 . 1 1 72 72 ALA C C 397 180.173 180.173 178.970 1.203 17685 2830 1 6 . 1 1 72 72 ALA CA C 397 56.079 56.079 55.136 0.943 17685 2831 1 6 . 1 1 72 72 ALA CB C 397 17.767 17.767 18.206 -0.439 17685 2832 1 6 . 1 1 72 72 ALA H H 397 8.268 8.268 7.853 0.415 17685 2833 1 6 . 1 1 73 73 ASP N N 398 118.963 118.963 117.796 1.167 17685 2834 1 6 . 1 1 73 73 ASP HA H 398 4.382 4.382 4.363 0.019 17685 2835 1 6 . 1 1 73 73 ASP C C 398 179.471 179.471 178.679 0.792 17685 2836 1 6 . 1 1 73 73 ASP CA C 398 57.692 57.692 57.248 0.444 17685 2837 1 6 . 1 1 73 73 ASP CB C 398 40.015 40.015 40.932 -0.917 17685 2838 1 6 . 1 1 73 73 ASP H H 398 8.585 8.585 8.381 0.204 17685 2839 1 6 . 1 1 74 74 LYS N N 399 120.591 120.591 119.351 1.240 17685 2840 1 6 . 1 1 74 74 LYS HA H 399 4.050 4.050 4.109 -0.059 17685 2841 1 6 . 1 1 74 74 LYS C C 399 180.082 180.082 179.104 0.978 17685 2842 1 6 . 1 1 74 74 LYS CA C 399 60.001 60.001 59.210 0.791 17685 2843 1 6 . 1 1 74 74 LYS CB C 399 34.080 34.080 32.710 1.370 17685 2844 1 6 . 1 1 74 74 LYS H H 399 8.003 8.003 7.651 0.352 17685 2845 1 6 . 1 1 75 75 ILE N N 400 120.602 120.602 119.519 1.083 17685 2846 1 6 . 1 1 75 75 ILE HA H 400 3.687 3.687 3.898 -0.211 17685 2847 1 6 . 1 1 75 75 ILE C C 400 177.770 177.770 177.969 -0.199 17685 2848 1 6 . 1 1 75 75 ILE CA C 400 64.860 64.860 64.916 -0.056 17685 2849 1 6 . 1 1 75 75 ILE CB C 400 38.253 38.253 37.912 0.341 17685 2850 1 6 . 1 1 75 75 ILE H H 400 7.877 7.877 8.302 -0.425 17685 2851 1 6 . 1 1 76 76 LYS N N 401 120.036 120.036 118.797 1.239 17685 2852 1 6 . 1 1 76 76 LYS HA H 401 4.032 4.032 4.082 -0.050 17685 2853 1 6 . 1 1 76 76 LYS C C 401 178.423 178.423 178.485 -0.062 17685 2854 1 6 . 1 1 76 76 LYS CA C 401 58.735 58.735 59.040 -0.305 17685 2855 1 6 . 1 1 76 76 LYS CB C 401 32.325 32.325 32.064 0.261 17685 2856 1 6 . 1 1 76 76 LYS H H 401 8.260 8.260 8.320 -0.060 17685 2857 1 6 . 1 1 77 77 ALA N N 402 118.655 118.655 120.804 -2.149 17685 2858 1 6 . 1 1 77 77 ALA HA H 402 4.205 4.205 4.293 -0.088 17685 2859 1 6 . 1 1 77 77 ALA C C 402 177.949 177.949 177.806 0.143 17685 2860 1 6 . 1 1 77 77 ALA CA C 402 53.673 53.673 53.141 0.532 17685 2861 1 6 . 1 1 77 77 ALA CB C 402 19.018 19.018 19.040 -0.022 17685 2862 1 6 . 1 1 77 77 ALA H H 402 7.564 7.564 7.557 0.007 17685 2863 1 6 . 1 1 78 78 ASN N N 403 113.964 113.964 117.048 -3.084 17685 2864 1 6 . 1 1 78 78 ASN HA H 403 4.841 4.841 4.811 0.030 17685 2865 1 6 . 1 1 78 78 ASN C C 403 174.866 174.866 175.086 -0.220 17685 2866 1 6 . 1 1 78 78 ASN CA C 403 52.485 52.485 52.739 -0.254 17685 2867 1 6 . 1 1 78 78 ASN CB C 403 37.659 37.659 39.228 -1.569 17685 2868 1 6 . 1 1 78 78 ASN H H 403 7.397 7.397 7.607 -0.210 17685 2869 1 6 . 1 1 79 79 ALA N N 404 131.057 131.057 126.498 4.559 17685 2870 1 6 . 1 1 79 79 ALA HA H 404 4.160 4.160 4.392 -0.232 17685 2871 1 6 . 1 1 79 79 ALA C C 404 180.575 180.575 178.789 1.786 17685 2872 1 6 . 1 1 79 79 ALA CA C 404 56.271 56.271 54.506 1.765 17685 2873 1 6 . 1 1 79 79 ALA CB C 404 18.357 18.357 19.076 -0.719 17685 2874 1 6 . 1 1 79 79 ALA H H 404 9.143 9.143 8.620 0.523 17685 2875 1 6 . 1 1 80 80 ALA N N 405 117.862 117.862 120.111 -2.249 17685 2876 1 6 . 1 1 80 80 ALA HA H 405 4.362 4.362 4.191 0.171 17685 2877 1 6 . 1 1 80 80 ALA C C 405 179.218 179.218 178.333 0.885 17685 2878 1 6 . 1 1 80 80 ALA CA C 405 53.931 53.931 53.989 -0.058 17685 2879 1 6 . 1 1 80 80 ALA CB C 405 18.226 18.226 18.609 -0.383 17685 2880 1 6 . 1 1 80 80 ALA H H 405 8.315 8.315 8.307 0.008 17685 2881 1 6 . 1 1 81 81 GLY N N 406 106.895 106.895 104.537 2.358 17685 2882 1 6 . 1 1 81 81 GLY C C 406 175.175 175.175 174.598 0.577 17685 2883 1 6 . 1 1 81 81 GLY CA C 406 45.363 45.363 43.969 1.394 17685 2884 1 6 . 1 1 81 81 GLY H H 406 7.908 7.908 7.534 0.374 17685 2885 1 6 . 1 1 82 82 ALA N N 407 120.775 120.775 124.667 -3.892 17685 2886 1 6 . 1 1 82 82 ALA HA H 407 3.971 3.971 4.022 -0.051 17685 2887 1 6 . 1 1 82 82 ALA C C 407 177.879 177.879 178.576 -0.697 17685 2888 1 6 . 1 1 82 82 ALA CA C 407 56.076 56.076 55.519 0.557 17685 2889 1 6 . 1 1 82 82 ALA CB C 407 19.120 19.120 18.833 0.287 17685 2890 1 6 . 1 1 82 82 ALA H H 407 7.574 7.574 7.771 -0.197 17685 2891 1 6 . 1 1 83 83 LYS N N 408 117.628 117.628 117.579 0.049 17685 2892 1 6 . 1 1 83 83 LYS HA H 408 3.352 3.352 3.895 -0.543 17685 2893 1 6 . 1 1 83 83 LYS C C 408 178.064 178.064 177.937 0.127 17685 2894 1 6 . 1 1 83 83 LYS CA C 408 61.404 61.404 59.946 1.458 17685 2895 1 6 . 1 1 83 83 LYS CB C 408 31.311 31.311 31.694 -0.383 17685 2896 1 6 . 1 1 83 83 LYS H H 408 8.755 8.755 8.521 0.234 17685 2897 1 6 . 1 1 84 84 GLU N N 409 116.005 116.005 118.904 -2.899 17685 2898 1 6 . 1 1 84 84 GLU HA H 409 3.994 3.994 4.090 -0.096 17685 2899 1 6 . 1 1 84 84 GLU C C 409 179.508 179.508 178.751 0.757 17685 2900 1 6 . 1 1 84 84 GLU CA C 409 59.300 59.300 59.083 0.217 17685 2901 1 6 . 1 1 84 84 GLU CB C 409 28.978 28.978 28.281 0.697 17685 2902 1 6 . 1 1 84 84 GLU H H 409 7.708 7.708 7.561 0.147 17685 2903 1 6 . 1 1 85 85 VAL N N 410 120.216 120.216 120.725 -0.509 17685 2904 1 6 . 1 1 85 85 VAL HA H 410 3.786 3.786 3.692 0.094 17685 2905 1 6 . 1 1 85 85 VAL C C 410 179.087 179.087 177.924 1.163 17685 2906 1 6 . 1 1 85 85 VAL CA C 410 66.066 66.066 66.510 -0.444 17685 2907 1 6 . 1 1 85 85 VAL CB C 410 32.060 32.060 31.496 0.564 17685 2908 1 6 . 1 1 85 85 VAL H H 410 7.494 7.494 7.452 0.042 17685 2909 1 6 . 1 1 86 86 LEU N N 411 121.293 121.293 120.291 1.002 17685 2910 1 6 . 1 1 86 86 LEU HA H 411 3.871 3.871 3.766 0.105 17685 2911 1 6 . 1 1 86 86 LEU C C 411 178.844 178.844 178.897 -0.053 17685 2912 1 6 . 1 1 86 86 LEU CA C 411 58.100 58.100 58.717 -0.617 17685 2913 1 6 . 1 1 86 86 LEU CB C 411 42.047 42.047 40.596 1.452 17685 2914 1 6 . 1 1 86 86 LEU H H 411 8.371 8.371 8.108 0.263 17685 2915 1 6 . 1 1 87 87 LYS N N 412 119.536 119.536 118.672 0.864 17685 2916 1 6 . 1 1 87 87 LYS HA H 412 4.206 4.206 4.221 -0.015 17685 2917 1 6 . 1 1 87 87 LYS C C 412 179.347 179.347 179.048 0.299 17685 2918 1 6 . 1 1 87 87 LYS CA C 412 60.924 60.924 59.758 1.166 17685 2919 1 6 . 1 1 87 87 LYS CB C 412 32.216 32.216 32.221 -0.005 17685 2920 1 6 . 1 1 87 87 LYS H H 412 8.818 8.818 8.635 0.183 17685 2921 1 6 . 1 1 88 88 GLU N N 413 120.780 120.780 120.266 0.514 17685 2922 1 6 . 1 1 88 88 GLU HA H 413 4.127 4.127 3.984 0.143 17685 2923 1 6 . 1 1 88 88 GLU C C 413 179.469 179.469 178.662 0.807 17685 2924 1 6 . 1 1 88 88 GLU CA C 413 59.720 59.720 59.863 -0.143 17685 2925 1 6 . 1 1 88 88 GLU CB C 413 29.021 29.021 29.445 -0.424 17685 2926 1 6 . 1 1 88 88 GLU H H 413 7.882 7.882 7.463 0.419 17685 2927 1 6 . 1 1 89 89 SER N N 414 116.823 116.823 116.373 0.450 17685 2928 1 6 . 1 1 89 89 SER HA H 414 3.765 3.765 4.092 -0.327 17685 2929 1 6 . 1 1 89 89 SER C C 414 176.091 176.091 176.571 -0.480 17685 2930 1 6 . 1 1 89 89 SER CA C 414 63.550 63.550 62.209 1.341 17685 2931 1 6 . 1 1 89 89 SER CB C 414 63.718 63.718 63.195 0.523 17685 2932 1 6 . 1 1 89 89 SER H H 414 8.296 8.296 7.975 0.321 17685 2933 1 6 . 1 1 90 90 ALA N N 415 123.230 123.230 125.335 -2.105 17685 2934 1 6 . 1 1 90 90 ALA HA H 415 3.831 3.831 3.834 -0.003 17685 2935 1 6 . 1 1 90 90 ALA C C 415 177.963 177.963 179.273 -1.310 17685 2936 1 6 . 1 1 90 90 ALA CA C 415 55.415 55.415 55.615 -0.200 17685 2937 1 6 . 1 1 90 90 ALA CB C 415 19.432 19.432 18.241 1.192 17685 2938 1 6 . 1 1 90 90 ALA H H 415 8.805 8.805 8.563 0.242 17685 2939 1 6 . 1 1 91 91 LYS N N 416 117.753 117.753 117.228 0.525 17685 2940 1 6 . 1 1 91 91 LYS HA H 416 3.972 3.972 4.080 -0.108 17685 2941 1 6 . 1 1 91 91 LYS C C 416 178.198 178.198 179.452 -1.254 17685 2942 1 6 . 1 1 91 91 LYS CA C 416 59.817 59.817 58.878 0.939 17685 2943 1 6 . 1 1 91 91 LYS CB C 416 32.247 32.247 31.878 0.369 17685 2944 1 6 . 1 1 91 91 LYS H H 416 8.085 8.085 8.038 0.047 17685 2945 1 6 . 1 1 92 92 THR N N 417 114.597 114.597 117.318 -2.721 17685 2946 1 6 . 1 1 92 92 THR HA H 417 4.075 4.075 4.102 -0.027 17685 2947 1 6 . 1 1 92 92 THR C C 417 177.541 177.541 176.754 0.787 17685 2948 1 6 . 1 1 92 92 THR CA C 417 66.473 66.473 66.458 0.015 17685 2949 1 6 . 1 1 92 92 THR CB C 417 69.070 69.070 68.520 0.550 17685 2950 1 6 . 1 1 92 92 THR H H 417 7.923 7.923 7.449 0.474 17685 2951 1 6 . 1 1 93 93 ILE N N 418 124.160 124.160 122.853 1.307 17685 2952 1 6 . 1 1 93 93 ILE HA H 418 3.662 3.662 3.813 -0.151 17685 2953 1 6 . 1 1 93 93 ILE C C 418 178.114 178.114 177.951 0.163 17685 2954 1 6 . 1 1 93 93 ILE CA C 418 65.626 65.626 65.447 0.179 17685 2955 1 6 . 1 1 93 93 ILE CB C 418 38.297 38.297 37.763 0.534 17685 2956 1 6 . 1 1 93 93 ILE H H 418 7.984 7.984 8.580 -0.596 17685 2957 1 6 . 1 1 94 94 VAL N N 419 121.566 121.566 119.836 1.730 17685 2958 1 6 . 1 1 94 94 VAL HA H 419 4.156 4.156 4.135 0.021 17685 2959 1 6 . 1 1 94 94 VAL C C 419 181.424 181.424 178.485 2.939 17685 2960 1 6 . 1 1 94 94 VAL CA C 419 65.808 65.808 65.234 0.575 17685 2961 1 6 . 1 1 94 94 VAL CB C 419 31.892 31.892 31.166 0.726 17685 2962 1 6 . 1 1 94 94 VAL H H 419 8.551 8.551 8.006 0.545 17685 2963 1 6 . 1 1 95 95 ASP N N 420 123.788 123.788 120.057 3.731 17685 2964 1 6 . 1 1 95 95 ASP HA H 420 4.477 4.477 4.465 0.012 17685 2965 1 6 . 1 1 95 95 ASP C C 420 178.220 178.220 178.346 -0.126 17685 2966 1 6 . 1 1 95 95 ASP CA C 420 57.548 57.548 56.685 0.863 17685 2967 1 6 . 1 1 95 95 ASP CB C 420 39.850 39.850 41.196 -1.346 17685 2968 1 6 . 1 1 95 95 ASP H H 420 9.354 9.354 7.779 1.575 17685 2969 1 6 . 1 1 96 96 SER N N 421 111.960 111.960 113.098 -1.138 17685 2970 1 6 . 1 1 96 96 SER HA H 421 4.526 4.526 4.381 0.145 17685 2971 1 6 . 1 1 96 96 SER C C 421 175.345 175.345 175.952 -0.607 17685 2972 1 6 . 1 1 96 96 SER CA C 421 59.433 59.433 59.014 0.419 17685 2973 1 6 . 1 1 96 96 SER CB C 421 64.264 64.264 64.541 -0.277 17685 2974 1 6 . 1 1 96 96 SER H H 421 7.862 7.862 8.192 -0.330 17685 2975 1 6 . 1 1 97 97 GLY N N 422 110.240 110.240 110.498 -0.258 17685 2976 1 6 . 1 1 97 97 GLY C C 422 175.158 175.158 174.959 0.199 17685 2977 1 6 . 1 1 97 97 GLY CA C 422 45.606 45.606 45.357 0.249 17685 2978 1 6 . 1 1 97 97 GLY H H 422 8.063 8.063 7.612 0.451 17685 2979 1 6 . 1 1 98 98 LYS N N 423 120.213 120.213 119.581 0.632 17685 2980 1 6 . 1 1 98 98 LYS HA H 423 4.083 4.083 4.246 -0.163 17685 2981 1 6 . 1 1 98 98 LYS C C 423 176.681 176.681 176.569 0.112 17685 2982 1 6 . 1 1 98 98 LYS CA C 423 59.417 59.417 57.924 1.493 17685 2983 1 6 . 1 1 98 98 LYS CB C 423 33.453 33.453 33.546 -0.093 17685 2984 1 6 . 1 1 98 98 LYS H H 423 7.992 7.992 8.342 -0.350 17685 2985 1 6 . 1 1 99 99 LEU N N 424 114.357 114.357 119.902 -5.545 17685 2986 1 6 . 1 1 99 99 LEU HA H 424 4.848 4.848 4.860 -0.012 17685 2987 1 6 . 1 1 99 99 LEU C C 424 174.161 174.161 174.050 0.111 17685 2988 1 6 . 1 1 99 99 LEU CA C 424 52.225 52.225 51.515 0.710 17685 2989 1 6 . 1 1 99 99 LEU CB C 424 46.075 46.075 44.143 1.932 17685 2990 1 6 . 1 1 99 99 LEU H H 424 6.865 6.865 7.455 -0.590 17685 2991 1 6 . 1 1 100 100 PRO HA H 425 4.650 4.650 4.739 -0.089 17685 2992 1 6 . 1 1 100 100 PRO C C 425 177.559 177.559 178.001 -0.442 17685 2993 1 6 . 1 1 100 100 PRO CA C 425 61.643 61.643 62.559 -0.916 17685 2994 1 6 . 1 1 100 100 PRO CB C 425 32.422 32.422 32.355 0.068 17685 2995 1 6 . 1 1 101 101 SER N N 426 117.043 117.043 119.094 -2.051 17685 2996 1 6 . 1 1 101 101 SER HA H 426 3.824 3.824 4.107 -0.283 17685 2997 1 6 . 1 1 101 101 SER C C 426 177.202 177.202 176.582 0.620 17685 2998 1 6 . 1 1 101 101 SER CA C 426 61.708 61.708 61.486 0.222 17685 2999 1 6 . 1 1 101 101 SER CB C 426 62.706 62.706 62.365 0.341 17685 3000 1 6 . 1 1 101 101 SER H H 426 8.999 8.999 8.664 0.335 17685 3001 1 6 . 1 1 102 102 SER N N 427 114.761 114.761 117.892 -3.131 17685 3002 1 6 . 1 1 102 102 SER HA H 427 4.112 4.112 4.315 -0.203 17685 3003 1 6 . 1 1 102 102 SER C C 427 176.526 176.526 174.991 1.535 17685 3004 1 6 . 1 1 102 102 SER CA C 427 60.650 60.650 60.393 0.257 17685 3005 1 6 . 1 1 102 102 SER CB C 427 62.213 62.213 62.934 -0.721 17685 3006 1 6 . 1 1 102 102 SER H H 427 8.115 8.115 8.402 -0.287 17685 3007 1 6 . 1 1 103 103 LEU N N 428 120.408 120.408 119.080 1.328 17685 3008 1 6 . 1 1 103 103 LEU HA H 428 4.435 4.435 4.386 0.049 17685 3009 1 6 . 1 1 103 103 LEU C C 428 176.698 176.698 176.198 0.500 17685 3010 1 6 . 1 1 103 103 LEU CA C 428 55.847 55.847 55.746 0.101 17685 3011 1 6 . 1 1 103 103 LEU CB C 428 42.586 42.586 41.229 1.357 17685 3012 1 6 . 1 1 103 103 LEU H H 428 7.320 7.320 7.731 -0.411 17685 3013 1 6 . 1 1 104 104 LEU N N 429 117.860 117.860 117.244 0.616 17685 3014 1 6 . 1 1 104 104 LEU HA H 429 4.995 4.995 4.751 0.244 17685 3015 1 6 . 1 1 104 104 LEU C C 429 178.320 178.320 178.850 -0.530 17685 3016 1 6 . 1 1 104 104 LEU CA C 429 52.672 52.672 54.977 -2.305 17685 3017 1 6 . 1 1 104 104 LEU CB C 429 43.039 43.039 42.065 0.974 17685 3018 1 6 . 1 1 104 104 LEU H H 429 7.325 7.325 7.856 -0.531 17685 3019 1 6 . 1 1 105 105 SER N N 430 112.664 112.664 113.174 -0.510 17685 3020 1 6 . 1 1 105 105 SER HA H 430 4.259 4.259 4.045 0.214 17685 3021 1 6 . 1 1 105 105 SER C C 430 175.288 175.288 174.736 0.552 17685 3022 1 6 . 1 1 105 105 SER CA C 430 61.247 61.247 61.022 0.225 17685 3023 1 6 . 1 1 105 105 SER CB C 430 64.058 64.058 61.941 2.117 17685 3024 1 6 . 1 1 105 105 SER H H 430 6.990 6.990 8.371 -1.381 17685 3025 1 6 . 1 1 106 106 TYR N N 431 125.624 125.624 121.062 4.562 17685 3026 1 6 . 1 1 106 106 TYR HA H 431 4.060 4.060 4.238 -0.178 17685 3027 1 6 . 1 1 106 106 TYR C C 431 176.064 176.064 175.972 0.092 17685 3028 1 6 . 1 1 106 106 TYR CA C 431 61.449 61.449 61.011 0.438 17685 3029 1 6 . 1 1 106 106 TYR CB C 431 38.282 38.282 38.608 -0.326 17685 3030 1 6 . 1 1 106 106 TYR H H 431 10.433 10.433 8.082 2.351 17685 3031 1 6 . 1 1 107 107 PHE N N 432 113.203 113.203 114.510 -1.307 17685 3032 1 6 . 1 1 107 107 PHE HA H 432 4.314 4.314 4.404 -0.090 17685 3033 1 6 . 1 1 107 107 PHE C C 432 173.901 173.901 175.402 -1.501 17685 3034 1 6 . 1 1 107 107 PHE CA C 432 59.810 59.810 58.963 0.847 17685 3035 1 6 . 1 1 107 107 PHE CB C 432 43.249 43.249 38.647 4.602 17685 3036 1 6 . 1 1 107 107 PHE H H 432 7.955 7.955 7.954 0.001 17685 3037 1 7 . 1 1 22 22 SER N N 347 116.741 116.741 120.008 -3.267 17685 3038 1 7 . 1 1 22 22 SER HA H 347 4.355 4.355 4.120 0.235 17685 3039 1 7 . 1 1 22 22 SER C C 347 176.272 176.272 176.328 -0.056 17685 3040 1 7 . 1 1 22 22 SER CA C 347 59.651 59.651 60.999 -1.348 17685 3041 1 7 . 1 1 22 22 SER CB C 347 63.231 63.231 63.415 -0.184 17685 3042 1 7 . 1 1 22 22 SER H H 347 8.311 8.311 8.679 -0.368 17685 3043 1 7 . 1 1 23 23 LYS N N 348 124.398 124.398 120.400 3.998 17685 3044 1 7 . 1 1 23 23 LYS HA H 348 4.142 4.142 4.240 -0.098 17685 3045 1 7 . 1 1 23 23 LYS C C 348 178.743 178.743 178.849 -0.106 17685 3046 1 7 . 1 1 23 23 LYS CA C 348 59.304 59.304 57.989 1.315 17685 3047 1 7 . 1 1 23 23 LYS CB C 348 32.301 32.301 32.007 0.294 17685 3048 1 7 . 1 1 23 23 LYS H H 348 8.611 8.611 8.419 0.192 17685 3049 1 7 . 1 1 24 24 ALA N N 349 122.494 122.494 122.314 0.180 17685 3050 1 7 . 1 1 24 24 ALA HA H 349 4.137 4.137 4.255 -0.118 17685 3051 1 7 . 1 1 24 24 ALA C C 349 179.869 179.869 179.471 0.398 17685 3052 1 7 . 1 1 24 24 ALA CA C 349 54.811 54.811 54.723 0.088 17685 3053 1 7 . 1 1 24 24 ALA CB C 349 18.284 18.284 18.122 0.162 17685 3054 1 7 . 1 1 24 24 ALA H H 349 8.245 8.245 8.051 0.194 17685 3055 1 7 . 1 1 25 25 ALA N N 350 121.576 121.576 120.469 1.107 17685 3056 1 7 . 1 1 25 25 ALA HA H 350 4.136 4.136 4.092 0.044 17685 3057 1 7 . 1 1 25 25 ALA C C 350 178.743 178.743 179.212 -0.469 17685 3058 1 7 . 1 1 25 25 ALA CA C 350 54.632 54.632 54.714 -0.082 17685 3059 1 7 . 1 1 25 25 ALA CB C 350 18.299 18.299 18.173 0.126 17685 3060 1 7 . 1 1 25 25 ALA H H 350 8.014 8.014 8.269 -0.255 17685 3061 1 7 . 1 1 26 26 LYS N N 351 119.618 119.618 119.654 -0.036 17685 3062 1 7 . 1 1 26 26 LYS HA H 351 4.196 4.196 3.990 0.206 17685 3063 1 7 . 1 1 26 26 LYS C C 351 178.485 178.485 178.356 0.129 17685 3064 1 7 . 1 1 26 26 LYS CA C 351 60.014 60.014 59.390 0.624 17685 3065 1 7 . 1 1 26 26 LYS CB C 351 32.511 32.511 32.008 0.503 17685 3066 1 7 . 1 1 26 26 LYS H H 351 7.831 7.831 8.062 -0.231 17685 3067 1 7 . 1 1 27 27 LYS N N 352 118.080 118.080 118.787 -0.707 17685 3068 1 7 . 1 1 27 27 LYS HA H 352 3.958 3.958 3.991 -0.033 17685 3069 1 7 . 1 1 27 27 LYS C C 352 179.564 179.564 178.708 0.856 17685 3070 1 7 . 1 1 27 27 LYS CA C 352 60.092 60.092 59.743 0.349 17685 3071 1 7 . 1 1 27 27 LYS CB C 352 32.550 32.550 32.346 0.204 17685 3072 1 7 . 1 1 27 27 LYS H H 352 7.905 7.905 7.631 0.274 17685 3073 1 7 . 1 1 28 28 LYS N N 353 119.878 119.878 119.057 0.821 17685 3074 1 7 . 1 1 28 28 LYS HA H 353 4.023 4.023 3.982 0.041 17685 3075 1 7 . 1 1 28 28 LYS C C 353 179.270 179.270 179.147 0.123 17685 3076 1 7 . 1 1 28 28 LYS CA C 353 59.806 59.806 59.562 0.244 17685 3077 1 7 . 1 1 28 28 LYS CB C 353 32.324 32.324 32.302 0.022 17685 3078 1 7 . 1 1 28 28 LYS H H 353 7.934 7.934 7.474 0.460 17685 3079 1 7 . 1 1 29 29 ASN N N 354 119.780 119.780 117.887 1.893 17685 3080 1 7 . 1 1 29 29 ASN HA H 354 4.557 4.557 4.478 0.079 17685 3081 1 7 . 1 1 29 29 ASN C C 354 177.395 177.395 177.467 -0.072 17685 3082 1 7 . 1 1 29 29 ASN CA C 354 56.167 56.167 55.740 0.427 17685 3083 1 7 . 1 1 29 29 ASN CB C 354 37.928 37.928 38.069 -0.140 17685 3084 1 7 . 1 1 29 29 ASN H H 354 8.524 8.524 8.422 0.102 17685 3085 1 7 . 1 1 30 30 LYS N N 355 118.850 118.850 121.573 -2.723 17685 3086 1 7 . 1 1 30 30 LYS HA H 355 3.820 3.820 3.880 -0.060 17685 3087 1 7 . 1 1 30 30 LYS C C 355 178.266 178.266 178.673 -0.407 17685 3088 1 7 . 1 1 30 30 LYS CA C 355 61.698 61.698 59.872 1.826 17685 3089 1 7 . 1 1 30 30 LYS CB C 355 33.000 33.000 32.515 0.485 17685 3090 1 7 . 1 1 30 30 LYS H H 355 8.599 8.599 8.442 0.157 17685 3091 1 7 . 1 1 31 31 ARG N N 356 118.226 118.226 117.079 1.147 17685 3092 1 7 . 1 1 31 31 ARG HA H 356 3.940 3.940 4.070 -0.130 17685 3093 1 7 . 1 1 31 31 ARG C C 356 177.676 177.676 178.222 -0.546 17685 3094 1 7 . 1 1 31 31 ARG CA C 356 59.316 59.316 58.943 0.374 17685 3095 1 7 . 1 1 31 31 ARG CB C 356 30.266 30.266 29.752 0.514 17685 3096 1 7 . 1 1 31 31 ARG H H 356 7.809 7.809 7.638 0.171 17685 3097 1 7 . 1 1 32 32 ALA N N 357 120.780 120.780 123.556 -2.776 17685 3098 1 7 . 1 1 32 32 ALA HA H 357 4.104 4.104 4.085 0.019 17685 3099 1 7 . 1 1 32 32 ALA C C 357 181.157 181.157 179.841 1.316 17685 3100 1 7 . 1 1 32 32 ALA CA C 357 55.118 55.118 54.916 0.202 17685 3101 1 7 . 1 1 32 32 ALA CB C 357 18.064 18.064 18.224 -0.161 17685 3102 1 7 . 1 1 32 32 ALA H H 357 8.155 8.155 8.019 0.136 17685 3103 1 7 . 1 1 33 33 ILE N N 358 116.468 116.468 117.335 -0.867 17685 3104 1 7 . 1 1 33 33 ILE HA H 358 3.590 3.590 3.803 -0.213 17685 3105 1 7 . 1 1 33 33 ILE C C 358 179.458 179.458 178.668 0.790 17685 3106 1 7 . 1 1 33 33 ILE CA C 358 65.775 65.775 63.190 2.585 17685 3107 1 7 . 1 1 33 33 ILE CB C 358 38.592 38.592 36.607 1.985 17685 3108 1 7 . 1 1 33 33 ILE H H 358 7.929 7.929 8.155 -0.226 17685 3109 1 7 . 1 1 34 34 ARG N N 359 119.937 119.937 119.717 0.220 17685 3110 1 7 . 1 1 34 34 ARG HA H 359 3.998 3.998 4.012 -0.014 17685 3111 1 7 . 1 1 34 34 ARG C C 359 179.124 179.124 178.871 0.253 17685 3112 1 7 . 1 1 34 34 ARG CA C 359 60.029 60.029 59.697 0.333 17685 3113 1 7 . 1 1 34 34 ARG CB C 359 30.576 30.576 29.828 0.748 17685 3114 1 7 . 1 1 34 34 ARG H H 359 8.672 8.672 7.524 1.148 17685 3115 1 7 . 1 1 35 35 ASN N N 360 116.359 116.359 118.244 -1.885 17685 3116 1 7 . 1 1 35 35 ASN HA H 360 4.575 4.575 4.461 0.114 17685 3117 1 7 . 1 1 35 35 ASN C C 360 175.723 175.723 176.445 -0.722 17685 3118 1 7 . 1 1 35 35 ASN CA C 360 54.215 54.215 56.285 -2.070 17685 3119 1 7 . 1 1 35 35 ASN CB C 360 38.575 38.575 38.398 0.177 17685 3120 1 7 . 1 1 35 35 ASN H H 360 8.454 8.454 8.474 -0.020 17685 3121 1 7 . 1 1 36 36 SER N N 361 115.734 115.734 116.881 -1.147 17685 3122 1 7 . 1 1 36 36 SER HA H 361 3.995 3.995 4.156 -0.161 17685 3123 1 7 . 1 1 36 36 SER C C 361 176.129 176.129 175.571 0.558 17685 3124 1 7 . 1 1 36 36 SER CA C 361 62.349 62.349 61.965 0.384 17685 3125 1 7 . 1 1 36 36 SER CB C 361 63.664 63.664 62.856 0.808 17685 3126 1 7 . 1 1 36 36 SER H H 361 7.617 7.617 7.800 -0.183 17685 3127 1 7 . 1 1 37 37 ALA N N 362 124.421 124.421 122.492 1.929 17685 3128 1 7 . 1 1 37 37 ALA HA H 362 3.770 3.770 3.795 -0.025 17685 3129 1 7 . 1 1 37 37 ALA C C 362 178.482 178.482 177.745 0.737 17685 3130 1 7 . 1 1 37 37 ALA CA C 362 54.821 54.821 53.925 0.895 17685 3131 1 7 . 1 1 37 37 ALA CB C 362 18.347 18.347 17.970 0.377 17685 3132 1 7 . 1 1 37 37 ALA H H 362 6.868 6.868 7.573 -0.705 17685 3133 1 7 . 1 1 38 38 LYS N N 363 122.319 122.319 117.406 4.913 17685 3134 1 7 . 1 1 38 38 LYS HA H 363 2.913 2.913 4.058 -1.145 17685 3135 1 7 . 1 1 38 38 LYS C C 363 180.669 180.669 179.500 1.169 17685 3136 1 7 . 1 1 38 38 LYS CA C 363 59.567 59.567 58.475 1.092 17685 3137 1 7 . 1 1 38 38 LYS CB C 363 31.563 31.563 32.090 -0.527 17685 3138 1 7 . 1 1 38 38 LYS H H 363 8.317 8.317 7.407 0.910 17685 3139 1 7 . 1 1 39 39 GLU N N 364 118.666 118.666 117.813 0.853 17685 3140 1 7 . 1 1 39 39 GLU HA H 364 4.015 4.015 4.230 -0.215 17685 3141 1 7 . 1 1 39 39 GLU C C 364 176.609 176.609 178.068 -1.459 17685 3142 1 7 . 1 1 39 39 GLU CA C 364 58.674 58.674 58.108 0.566 17685 3143 1 7 . 1 1 39 39 GLU CB C 364 29.058 29.058 29.776 -0.718 17685 3144 1 7 . 1 1 39 39 GLU H H 364 7.935 7.935 8.156 -0.221 17685 3145 1 7 . 1 1 40 40 ALA N N 365 121.145 121.145 120.122 1.023 17685 3146 1 7 . 1 1 40 40 ALA HA H 365 4.663 4.663 4.542 0.121 17685 3147 1 7 . 1 1 40 40 ALA C C 365 177.688 177.688 175.709 1.979 17685 3148 1 7 . 1 1 40 40 ALA CA C 365 50.931 50.931 50.849 0.082 17685 3149 1 7 . 1 1 40 40 ALA CB C 365 18.566 18.566 19.784 -1.218 17685 3150 1 7 . 1 1 40 40 ALA H H 365 7.049 7.049 7.902 -0.853 17685 3151 1 7 . 1 1 41 41 ASP N N 366 121.103 121.103 116.454 4.649 17685 3152 1 7 . 1 1 41 41 ASP HA H 366 4.338 4.338 4.217 0.121 17685 3153 1 7 . 1 1 41 41 ASP C C 366 175.644 175.644 174.989 0.655 17685 3154 1 7 . 1 1 41 41 ASP CA C 366 55.898 55.898 54.656 1.242 17685 3155 1 7 . 1 1 41 41 ASP CB C 366 39.353 39.353 40.896 -1.543 17685 3156 1 7 . 1 1 41 41 ASP H H 366 8.099 8.099 7.101 0.998 17685 3157 1 7 . 1 1 42 42 TYR N N 367 110.700 110.700 120.604 -9.904 17685 3158 1 7 . 1 1 42 42 TYR HA H 367 2.485 2.485 3.991 -1.506 17685 3159 1 7 . 1 1 42 42 TYR C C 367 174.307 174.307 175.286 -0.979 17685 3160 1 7 . 1 1 42 42 TYR CA C 367 61.064 61.064 58.151 2.913 17685 3161 1 7 . 1 1 42 42 TYR CB C 367 34.242 34.242 38.043 -3.801 17685 3162 1 7 . 1 1 42 42 TYR H H 367 8.364 8.364 8.694 -0.330 17685 3163 1 7 . 1 1 43 43 PHE N N 368 111.305 111.305 115.465 -4.160 17685 3164 1 7 . 1 1 43 43 PHE HA H 368 4.666 4.666 4.212 0.454 17685 3165 1 7 . 1 1 43 43 PHE C C 368 177.162 177.162 176.254 0.908 17685 3166 1 7 . 1 1 43 43 PHE CA C 368 56.561 56.561 58.636 -2.075 17685 3167 1 7 . 1 1 43 43 PHE CB C 368 36.514 36.514 36.170 0.344 17685 3168 1 7 . 1 1 43 43 PHE H H 368 7.666 7.666 7.323 0.343 17685 3169 1 7 . 1 1 44 44 GLY N N 369 106.300 106.300 105.730 0.570 17685 3170 1 7 . 1 1 44 44 GLY C C 369 174.446 174.446 174.635 -0.189 17685 3171 1 7 . 1 1 44 44 GLY CA C 369 45.780 45.780 45.132 0.648 17685 3172 1 7 . 1 1 44 44 GLY H H 369 7.671 7.671 8.568 -0.897 17685 3173 1 7 . 1 1 45 45 ASP N N 370 122.876 122.876 122.059 0.817 17685 3174 1 7 . 1 1 45 45 ASP HA H 370 5.323 5.323 4.901 0.422 17685 3175 1 7 . 1 1 45 45 ASP C C 370 176.360 176.360 176.445 -0.085 17685 3176 1 7 . 1 1 45 45 ASP CA C 370 53.322 53.322 53.911 -0.589 17685 3177 1 7 . 1 1 45 45 ASP CB C 370 41.391 41.391 41.102 0.289 17685 3178 1 7 . 1 1 45 45 ASP H H 370 8.331 8.331 8.055 0.276 17685 3179 1 7 . 1 1 46 46 ALA N N 371 121.771 121.771 123.464 -1.693 17685 3180 1 7 . 1 1 46 46 ALA HA H 371 3.600 3.600 3.693 -0.093 17685 3181 1 7 . 1 1 46 46 ALA C C 371 179.111 179.111 178.330 0.781 17685 3182 1 7 . 1 1 46 46 ALA CA C 371 56.038 56.038 54.446 1.592 17685 3183 1 7 . 1 1 46 46 ALA CB C 371 17.942 17.942 18.622 -0.680 17685 3184 1 7 . 1 1 46 46 ALA H H 371 8.282 8.282 8.418 -0.136 17685 3185 1 7 . 1 1 47 47 ASP N N 372 116.273 116.273 115.956 0.317 17685 3186 1 7 . 1 1 47 47 ASP HA H 372 4.359 4.359 4.458 -0.099 17685 3187 1 7 . 1 1 47 47 ASP C C 372 177.019 177.019 176.540 0.479 17685 3188 1 7 . 1 1 47 47 ASP CA C 372 55.832 55.832 55.877 -0.045 17685 3189 1 7 . 1 1 47 47 ASP CB C 372 39.190 39.190 40.581 -1.391 17685 3190 1 7 . 1 1 47 47 ASP H H 372 9.068 9.068 8.615 0.453 17685 3191 1 7 . 1 1 48 48 LYS N N 373 120.180 120.180 119.404 0.776 17685 3192 1 7 . 1 1 48 48 LYS HA H 373 4.723 4.723 4.400 0.323 17685 3193 1 7 . 1 1 48 48 LYS C C 373 175.542 175.542 176.411 -0.869 17685 3194 1 7 . 1 1 48 48 LYS CA C 373 54.787 54.787 55.321 -0.534 17685 3195 1 7 . 1 1 48 48 LYS CB C 373 32.179 32.179 32.237 -0.058 17685 3196 1 7 . 1 1 48 48 LYS H H 373 8.050 8.050 7.760 0.290 17685 3197 1 7 . 1 1 49 49 ALA N N 374 122.498 122.498 122.822 -0.324 17685 3198 1 7 . 1 1 49 49 ALA HA H 374 3.068 3.068 3.794 -0.726 17685 3199 1 7 . 1 1 49 49 ALA C C 374 177.781 177.781 179.253 -1.472 17685 3200 1 7 . 1 1 49 49 ALA CA C 374 56.962 56.962 55.807 1.155 17685 3201 1 7 . 1 1 49 49 ALA CB C 374 17.855 17.855 17.862 -0.007 17685 3202 1 7 . 1 1 49 49 ALA H H 374 7.045 7.045 7.250 -0.205 17685 3203 1 7 . 1 1 50 50 THR N N 375 108.573 108.573 112.409 -3.836 17685 3204 1 7 . 1 1 50 50 THR HA H 375 4.044 4.044 4.024 0.020 17685 3205 1 7 . 1 1 50 50 THR C C 375 177.647 177.647 176.563 1.084 17685 3206 1 7 . 1 1 50 50 THR CA C 375 66.201 66.201 67.170 -0.969 17685 3207 1 7 . 1 1 50 50 THR CB C 375 68.334 68.334 68.177 0.157 17685 3208 1 7 . 1 1 50 50 THR H H 375 8.285 8.285 8.441 -0.156 17685 3209 1 7 . 1 1 51 51 THR N N 376 120.018 120.018 119.151 0.867 17685 3210 1 7 . 1 1 51 51 THR HA H 376 4.147 4.147 4.071 0.076 17685 3211 1 7 . 1 1 51 51 THR C C 376 175.499 175.499 176.105 -0.606 17685 3212 1 7 . 1 1 51 51 THR CA C 376 66.145 66.145 66.512 -0.367 17685 3213 1 7 . 1 1 51 51 THR CB C 376 69.382 69.382 68.449 0.933 17685 3214 1 7 . 1 1 51 51 THR H H 376 7.359 7.359 7.393 -0.034 17685 3215 1 7 . 1 1 52 52 ILE N N 377 122.319 122.319 122.416 -0.097 17685 3216 1 7 . 1 1 52 52 ILE HA H 377 3.168 3.168 3.459 -0.291 17685 3217 1 7 . 1 1 52 52 ILE C C 377 177.879 177.879 177.473 0.406 17685 3218 1 7 . 1 1 52 52 ILE CA C 377 67.070 67.070 65.772 1.298 17685 3219 1 7 . 1 1 52 52 ILE CB C 377 38.257 38.257 37.578 0.679 17685 3220 1 7 . 1 1 52 52 ILE H H 377 8.346 8.346 8.564 -0.218 17685 3221 1 7 . 1 1 53 53 ASP N N 378 117.696 117.696 119.400 -1.704 17685 3222 1 7 . 1 1 53 53 ASP HA H 378 4.739 4.739 4.331 0.408 17685 3223 1 7 . 1 1 53 53 ASP C C 378 180.094 180.094 178.254 1.840 17685 3224 1 7 . 1 1 53 53 ASP CA C 378 58.044 58.044 58.037 0.007 17685 3225 1 7 . 1 1 53 53 ASP CB C 378 39.648 39.648 40.907 -1.259 17685 3226 1 7 . 1 1 53 53 ASP H H 378 8.991 8.991 8.634 0.357 17685 3227 1 7 . 1 1 54 54 GLU N N 379 121.956 121.956 119.384 2.572 17685 3228 1 7 . 1 1 54 54 GLU HA H 379 4.174 4.174 4.075 0.099 17685 3229 1 7 . 1 1 54 54 GLU C C 379 179.679 179.679 178.792 0.887 17685 3230 1 7 . 1 1 54 54 GLU CA C 379 59.572 59.572 59.118 0.454 17685 3231 1 7 . 1 1 54 54 GLU CB C 379 29.324 29.324 29.605 -0.281 17685 3232 1 7 . 1 1 54 54 GLU H H 379 7.946 7.946 7.621 0.325 17685 3233 1 7 . 1 1 55 55 GLN N N 380 120.733 120.733 119.111 1.622 17685 3234 1 7 . 1 1 55 55 GLN HA H 380 4.171 4.171 4.154 0.017 17685 3235 1 7 . 1 1 55 55 GLN C C 380 178.288 178.288 178.985 -0.697 17685 3236 1 7 . 1 1 55 55 GLN CA C 380 59.994 59.994 58.716 1.278 17685 3237 1 7 . 1 1 55 55 GLN CB C 380 29.566 29.566 28.782 0.784 17685 3238 1 7 . 1 1 55 55 GLN H H 380 8.357 8.357 8.398 -0.041 17685 3239 1 7 . 1 1 56 56 VAL N N 381 120.353 120.353 118.463 1.890 17685 3240 1 7 . 1 1 56 56 VAL HA H 381 3.536 3.536 3.743 -0.207 17685 3241 1 7 . 1 1 56 56 VAL C C 381 178.220 178.220 178.157 0.063 17685 3242 1 7 . 1 1 56 56 VAL CA C 381 67.557 67.557 66.016 1.541 17685 3243 1 7 . 1 1 56 56 VAL CB C 381 31.349 31.349 30.684 0.665 17685 3244 1 7 . 1 1 56 56 VAL H H 381 9.484 9.484 8.759 0.725 17685 3245 1 7 . 1 1 57 57 GLY N N 382 106.926 106.926 108.519 -1.593 17685 3246 1 7 . 1 1 57 57 GLY C C 382 174.843 174.843 176.476 -1.633 17685 3247 1 7 . 1 1 57 57 GLY CA C 382 47.694 47.694 47.286 0.408 17685 3248 1 7 . 1 1 57 57 GLY H H 382 8.169 8.169 7.814 0.355 17685 3249 1 7 . 1 1 58 58 LEU N N 383 120.610 120.610 122.359 -1.749 17685 3250 1 7 . 1 1 58 58 LEU HA H 383 4.151 4.151 4.041 0.110 17685 3251 1 7 . 1 1 58 58 LEU C C 383 180.087 180.087 178.863 1.224 17685 3252 1 7 . 1 1 58 58 LEU CA C 383 57.974 57.974 57.535 0.439 17685 3253 1 7 . 1 1 58 58 LEU CB C 383 42.125 42.125 41.742 0.383 17685 3254 1 7 . 1 1 58 58 LEU H H 383 7.568 7.568 8.271 -0.703 17685 3255 1 7 . 1 1 59 59 ILE N N 384 120.213 120.213 119.714 0.499 17685 3256 1 7 . 1 1 59 59 ILE HA H 384 3.416 3.416 3.618 -0.202 17685 3257 1 7 . 1 1 59 59 ILE C C 384 178.310 178.310 178.662 -0.352 17685 3258 1 7 . 1 1 59 59 ILE CA C 384 66.069 66.069 65.487 0.581 17685 3259 1 7 . 1 1 59 59 ILE CB C 384 38.233 38.233 37.748 0.485 17685 3260 1 7 . 1 1 59 59 ILE H H 384 8.057 8.057 7.552 0.505 17685 3261 1 7 . 1 1 60 60 VAL N N 385 115.546 115.546 115.388 0.158 17685 3262 1 7 . 1 1 60 60 VAL HA H 385 3.560 3.560 3.701 -0.141 17685 3263 1 7 . 1 1 60 60 VAL C C 385 177.921 177.921 177.529 0.392 17685 3264 1 7 . 1 1 60 60 VAL CA C 385 66.702 66.702 65.632 1.070 17685 3265 1 7 . 1 1 60 60 VAL CB C 385 31.565 31.565 31.525 0.040 17685 3266 1 7 . 1 1 60 60 VAL H H 385 8.672 8.672 8.373 0.299 17685 3267 1 7 . 1 1 61 61 ASP N N 386 117.831 117.831 120.499 -2.668 17685 3268 1 7 . 1 1 61 61 ASP HA H 386 4.571 4.571 4.536 0.035 17685 3269 1 7 . 1 1 61 61 ASP C C 386 177.238 177.238 177.584 -0.346 17685 3270 1 7 . 1 1 61 61 ASP CA C 386 56.184 56.184 56.385 -0.201 17685 3271 1 7 . 1 1 61 61 ASP CB C 386 40.632 40.632 41.249 -0.617 17685 3272 1 7 . 1 1 61 61 ASP H H 386 7.988 7.988 7.998 -0.010 17685 3273 1 7 . 1 1 62 62 SER N N 387 114.761 114.761 114.392 0.369 17685 3274 1 7 . 1 1 62 62 SER HA H 387 4.577 4.577 4.508 0.069 17685 3275 1 7 . 1 1 62 62 SER C C 387 173.645 173.645 173.379 0.266 17685 3276 1 7 . 1 1 62 62 SER CA C 387 59.694 59.694 59.779 -0.085 17685 3277 1 7 . 1 1 62 62 SER CB C 387 64.588 64.588 63.660 0.928 17685 3278 1 7 . 1 1 62 62 SER H H 387 7.755 7.755 7.783 -0.028 17685 3279 1 7 . 1 1 63 63 LEU N N 388 121.610 121.610 120.257 1.353 17685 3280 1 7 . 1 1 63 63 LEU HA H 388 4.506 4.506 4.492 0.014 17685 3281 1 7 . 1 1 63 63 LEU C C 388 177.071 177.071 174.778 2.293 17685 3282 1 7 . 1 1 63 63 LEU CA C 388 54.490 54.490 53.412 1.078 17685 3283 1 7 . 1 1 63 63 LEU CB C 388 42.414 42.414 44.445 -2.031 17685 3284 1 7 . 1 1 63 63 LEU H H 388 7.083 7.083 6.989 0.094 17685 3285 1 7 . 1 1 64 64 ASN N N 389 122.154 122.154 117.423 4.731 17685 3286 1 7 . 1 1 64 64 ASN HA H 389 4.748 4.748 4.847 -0.099 17685 3287 1 7 . 1 1 64 64 ASN C C 389 175.144 175.144 175.829 -0.685 17685 3288 1 7 . 1 1 64 64 ASN CA C 389 51.898 51.898 51.755 0.143 17685 3289 1 7 . 1 1 64 64 ASN CB C 389 37.762 37.762 40.215 -2.453 17685 3290 1 7 . 1 1 64 64 ASN H H 389 9.587 9.587 8.124 1.463 17685 3291 1 7 . 1 1 65 65 ASP N N 390 116.882 116.882 118.230 -1.348 17685 3292 1 7 . 1 1 65 65 ASP HA H 390 4.288 4.288 4.247 0.041 17685 3293 1 7 . 1 1 65 65 ASP C C 390 178.601 178.601 177.697 0.904 17685 3294 1 7 . 1 1 65 65 ASP CA C 390 58.992 58.992 57.932 1.060 17685 3295 1 7 . 1 1 65 65 ASP CB C 390 40.168 40.168 40.183 -0.015 17685 3296 1 7 . 1 1 65 65 ASP H H 390 8.504 8.504 8.864 -0.360 17685 3297 1 7 . 1 1 66 66 GLU N N 391 119.807 119.807 118.274 1.533 17685 3298 1 7 . 1 1 66 66 GLU HA H 391 4.048 4.048 4.198 -0.150 17685 3299 1 7 . 1 1 66 66 GLU C C 391 179.549 179.549 179.143 0.406 17685 3300 1 7 . 1 1 66 66 GLU CA C 391 59.943 59.943 58.775 1.168 17685 3301 1 7 . 1 1 66 66 GLU CB C 391 29.119 29.119 29.047 0.072 17685 3302 1 7 . 1 1 66 66 GLU H H 391 8.318 8.318 8.774 -0.456 17685 3303 1 7 . 1 1 67 67 GLU N N 392 121.747 121.747 120.343 1.404 17685 3304 1 7 . 1 1 67 67 GLU HA H 392 4.151 4.151 4.194 -0.043 17685 3305 1 7 . 1 1 67 67 GLU C C 392 180.544 180.544 179.048 1.496 17685 3306 1 7 . 1 1 67 67 GLU CA C 392 58.307 58.307 58.384 -0.077 17685 3307 1 7 . 1 1 67 67 GLU CB C 392 30.933 30.933 29.394 1.539 17685 3308 1 7 . 1 1 67 67 GLU H H 392 8.709 8.709 7.791 0.918 17685 3309 1 7 . 1 1 68 68 LEU N N 393 123.523 123.523 120.938 2.585 17685 3310 1 7 . 1 1 68 68 LEU HA H 393 3.923 3.923 4.148 -0.225 17685 3311 1 7 . 1 1 68 68 LEU C C 393 178.151 178.151 179.474 -1.323 17685 3312 1 7 . 1 1 68 68 LEU CA C 393 58.642 58.642 57.882 0.760 17685 3313 1 7 . 1 1 68 68 LEU CB C 393 42.304 42.304 41.676 0.628 17685 3314 1 7 . 1 1 68 68 LEU H H 393 8.930 8.930 8.525 0.405 17685 3315 1 7 . 1 1 69 69 VAL N N 394 118.071 118.071 118.514 -0.443 17685 3316 1 7 . 1 1 69 69 VAL HA H 394 3.527 3.527 3.689 -0.162 17685 3317 1 7 . 1 1 69 69 VAL C C 394 177.701 177.701 177.835 -0.134 17685 3318 1 7 . 1 1 69 69 VAL CA C 394 66.494 66.494 65.597 0.897 17685 3319 1 7 . 1 1 69 69 VAL CB C 394 32.103 32.103 30.918 1.185 17685 3320 1 7 . 1 1 69 69 VAL H H 394 7.304 7.304 7.675 -0.371 17685 3321 1 7 . 1 1 70 70 SER N N 395 112.686 112.686 115.038 -2.352 17685 3322 1 7 . 1 1 70 70 SER HA H 395 4.238 4.238 4.171 0.067 17685 3323 1 7 . 1 1 70 70 SER C C 395 177.618 177.618 176.711 0.907 17685 3324 1 7 . 1 1 70 70 SER CA C 395 61.410 61.410 62.033 -0.623 17685 3325 1 7 . 1 1 70 70 SER CB C 395 63.002 63.002 62.911 0.091 17685 3326 1 7 . 1 1 70 70 SER H H 395 7.906 7.906 7.727 0.179 17685 3327 1 7 . 1 1 71 71 THR N N 396 118.003 118.003 114.908 3.095 17685 3328 1 7 . 1 1 71 71 THR HA H 396 3.767 3.767 4.022 -0.255 17685 3329 1 7 . 1 1 71 71 THR C C 396 175.404 175.404 176.541 -1.137 17685 3330 1 7 . 1 1 71 71 THR CA C 396 67.763 67.763 65.382 2.381 17685 3331 1 7 . 1 1 71 71 THR CB C 396 68.498 68.498 68.853 -0.355 17685 3332 1 7 . 1 1 71 71 THR H H 396 8.511 8.511 8.113 0.398 17685 3333 1 7 . 1 1 72 72 ALA N N 397 123.373 123.373 124.514 -1.141 17685 3334 1 7 . 1 1 72 72 ALA HA H 397 3.857 3.857 3.932 -0.075 17685 3335 1 7 . 1 1 72 72 ALA C C 397 180.173 180.173 178.917 1.256 17685 3336 1 7 . 1 1 72 72 ALA CA C 397 56.079 56.079 55.085 0.994 17685 3337 1 7 . 1 1 72 72 ALA CB C 397 17.767 17.767 18.211 -0.444 17685 3338 1 7 . 1 1 72 72 ALA H H 397 8.268 8.268 8.274 -0.006 17685 3339 1 7 . 1 1 73 73 ASP N N 398 118.963 118.963 116.723 2.240 17685 3340 1 7 . 1 1 73 73 ASP HA H 398 4.382 4.382 4.393 -0.011 17685 3341 1 7 . 1 1 73 73 ASP C C 398 179.471 179.471 178.412 1.059 17685 3342 1 7 . 1 1 73 73 ASP CA C 398 57.692 57.692 57.296 0.396 17685 3343 1 7 . 1 1 73 73 ASP CB C 398 40.015 40.015 40.947 -0.932 17685 3344 1 7 . 1 1 73 73 ASP H H 398 8.585 8.585 8.158 0.427 17685 3345 1 7 . 1 1 74 74 LYS N N 399 120.591 120.591 119.034 1.557 17685 3346 1 7 . 1 1 74 74 LYS HA H 399 4.050 4.050 4.147 -0.097 17685 3347 1 7 . 1 1 74 74 LYS C C 399 180.082 180.082 178.954 1.128 17685 3348 1 7 . 1 1 74 74 LYS CA C 399 60.001 60.001 58.237 1.764 17685 3349 1 7 . 1 1 74 74 LYS CB C 399 34.080 34.080 32.261 1.819 17685 3350 1 7 . 1 1 74 74 LYS H H 399 8.003 8.003 7.404 0.599 17685 3351 1 7 . 1 1 75 75 ILE N N 400 120.602 120.602 119.508 1.094 17685 3352 1 7 . 1 1 75 75 ILE HA H 400 3.687 3.687 3.889 -0.202 17685 3353 1 7 . 1 1 75 75 ILE C C 400 177.770 177.770 178.078 -0.308 17685 3354 1 7 . 1 1 75 75 ILE CA C 400 64.860 64.860 64.936 -0.076 17685 3355 1 7 . 1 1 75 75 ILE CB C 400 38.253 38.253 37.788 0.465 17685 3356 1 7 . 1 1 75 75 ILE H H 400 7.877 7.877 8.196 -0.319 17685 3357 1 7 . 1 1 76 76 LYS N N 401 120.036 120.036 118.333 1.703 17685 3358 1 7 . 1 1 76 76 LYS HA H 401 4.032 4.032 4.045 -0.013 17685 3359 1 7 . 1 1 76 76 LYS C C 401 178.423 178.423 178.117 0.306 17685 3360 1 7 . 1 1 76 76 LYS CA C 401 58.735 58.735 59.080 -0.345 17685 3361 1 7 . 1 1 76 76 LYS CB C 401 32.325 32.325 31.997 0.328 17685 3362 1 7 . 1 1 76 76 LYS H H 401 8.260 8.260 8.388 -0.128 17685 3363 1 7 . 1 1 77 77 ALA N N 402 118.655 118.655 120.767 -2.112 17685 3364 1 7 . 1 1 77 77 ALA HA H 402 4.205 4.205 4.393 -0.188 17685 3365 1 7 . 1 1 77 77 ALA C C 402 177.949 177.949 177.848 0.101 17685 3366 1 7 . 1 1 77 77 ALA CA C 402 53.673 53.673 52.774 0.899 17685 3367 1 7 . 1 1 77 77 ALA CB C 402 19.018 19.018 19.449 -0.431 17685 3368 1 7 . 1 1 77 77 ALA H H 402 7.564 7.564 7.573 -0.009 17685 3369 1 7 . 1 1 78 78 ASN N N 403 113.964 113.964 117.573 -3.609 17685 3370 1 7 . 1 1 78 78 ASN HA H 403 4.841 4.841 4.845 -0.004 17685 3371 1 7 . 1 1 78 78 ASN C C 403 174.866 174.866 175.292 -0.426 17685 3372 1 7 . 1 1 78 78 ASN CA C 403 52.485 52.485 52.086 0.399 17685 3373 1 7 . 1 1 78 78 ASN CB C 403 37.659 37.659 38.655 -0.996 17685 3374 1 7 . 1 1 78 78 ASN H H 403 7.397 7.397 7.788 -0.391 17685 3375 1 7 . 1 1 79 79 ALA N N 404 131.057 131.057 125.705 5.352 17685 3376 1 7 . 1 1 79 79 ALA HA H 404 4.160 4.160 4.278 -0.118 17685 3377 1 7 . 1 1 79 79 ALA C C 404 180.575 180.575 178.750 1.825 17685 3378 1 7 . 1 1 79 79 ALA CA C 404 56.271 56.271 54.620 1.651 17685 3379 1 7 . 1 1 79 79 ALA CB C 404 18.357 18.357 18.961 -0.604 17685 3380 1 7 . 1 1 79 79 ALA H H 404 9.143 9.143 8.465 0.678 17685 3381 1 7 . 1 1 80 80 ALA N N 405 117.862 117.862 119.213 -1.351 17685 3382 1 7 . 1 1 80 80 ALA HA H 405 4.362 4.362 4.169 0.193 17685 3383 1 7 . 1 1 80 80 ALA C C 405 179.218 179.218 177.987 1.231 17685 3384 1 7 . 1 1 80 80 ALA CA C 405 53.931 53.931 53.464 0.467 17685 3385 1 7 . 1 1 80 80 ALA CB C 405 18.226 18.226 18.723 -0.496 17685 3386 1 7 . 1 1 80 80 ALA H H 405 8.315 8.315 8.475 -0.160 17685 3387 1 7 . 1 1 81 81 GLY N N 406 106.895 106.895 105.436 1.459 17685 3388 1 7 . 1 1 81 81 GLY C C 406 175.175 175.175 174.150 1.025 17685 3389 1 7 . 1 1 81 81 GLY CA C 406 45.363 45.363 44.019 1.344 17685 3390 1 7 . 1 1 81 81 GLY H H 406 7.908 7.908 7.518 0.390 17685 3391 1 7 . 1 1 82 82 ALA N N 407 120.775 120.775 124.524 -3.749 17685 3392 1 7 . 1 1 82 82 ALA HA H 407 3.971 3.971 4.068 -0.097 17685 3393 1 7 . 1 1 82 82 ALA C C 407 177.879 177.879 178.519 -0.640 17685 3394 1 7 . 1 1 82 82 ALA CA C 407 56.076 56.076 55.451 0.625 17685 3395 1 7 . 1 1 82 82 ALA CB C 407 19.120 19.120 19.051 0.069 17685 3396 1 7 . 1 1 82 82 ALA H H 407 7.574 7.574 7.548 0.026 17685 3397 1 7 . 1 1 83 83 LYS N N 408 117.628 117.628 119.474 -1.846 17685 3398 1 7 . 1 1 83 83 LYS HA H 408 3.352 3.352 3.868 -0.516 17685 3399 1 7 . 1 1 83 83 LYS C C 408 178.064 178.064 177.975 0.089 17685 3400 1 7 . 1 1 83 83 LYS CA C 408 61.404 61.404 59.453 1.951 17685 3401 1 7 . 1 1 83 83 LYS CB C 408 31.311 31.311 31.205 0.106 17685 3402 1 7 . 1 1 83 83 LYS H H 408 8.755 8.755 8.371 0.384 17685 3403 1 7 . 1 1 84 84 GLU N N 409 116.005 116.005 117.977 -1.972 17685 3404 1 7 . 1 1 84 84 GLU HA H 409 3.994 3.994 4.041 -0.047 17685 3405 1 7 . 1 1 84 84 GLU C C 409 179.508 179.508 178.445 1.063 17685 3406 1 7 . 1 1 84 84 GLU CA C 409 59.300 59.300 58.999 0.301 17685 3407 1 7 . 1 1 84 84 GLU CB C 409 28.978 28.978 28.643 0.335 17685 3408 1 7 . 1 1 84 84 GLU H H 409 7.708 7.708 8.155 -0.447 17685 3409 1 7 . 1 1 85 85 VAL N N 410 120.216 120.216 120.940 -0.724 17685 3410 1 7 . 1 1 85 85 VAL HA H 410 3.786 3.786 3.705 0.081 17685 3411 1 7 . 1 1 85 85 VAL C C 410 179.087 179.087 178.007 1.080 17685 3412 1 7 . 1 1 85 85 VAL CA C 410 66.066 66.066 66.315 -0.249 17685 3413 1 7 . 1 1 85 85 VAL CB C 410 32.060 32.060 31.471 0.589 17685 3414 1 7 . 1 1 85 85 VAL H H 410 7.494 7.494 7.624 -0.130 17685 3415 1 7 . 1 1 86 86 LEU N N 411 121.293 121.293 120.562 0.731 17685 3416 1 7 . 1 1 86 86 LEU HA H 411 3.871 3.871 3.725 0.146 17685 3417 1 7 . 1 1 86 86 LEU C C 411 178.844 178.844 178.765 0.079 17685 3418 1 7 . 1 1 86 86 LEU CA C 411 58.100 58.100 58.406 -0.306 17685 3419 1 7 . 1 1 86 86 LEU CB C 411 42.047 42.047 40.629 1.418 17685 3420 1 7 . 1 1 86 86 LEU H H 411 8.371 8.371 7.880 0.491 17685 3421 1 7 . 1 1 87 87 LYS N N 412 119.536 119.536 118.323 1.213 17685 3422 1 7 . 1 1 87 87 LYS HA H 412 4.206 4.206 3.973 0.233 17685 3423 1 7 . 1 1 87 87 LYS C C 412 179.347 179.347 179.023 0.324 17685 3424 1 7 . 1 1 87 87 LYS CA C 412 60.924 60.924 60.181 0.743 17685 3425 1 7 . 1 1 87 87 LYS CB C 412 32.216 32.216 32.106 0.110 17685 3426 1 7 . 1 1 87 87 LYS H H 412 8.818 8.818 8.731 0.087 17685 3427 1 7 . 1 1 88 88 GLU N N 413 120.780 120.780 120.030 0.750 17685 3428 1 7 . 1 1 88 88 GLU HA H 413 4.127 4.127 4.133 -0.006 17685 3429 1 7 . 1 1 88 88 GLU C C 413 179.469 179.469 178.919 0.550 17685 3430 1 7 . 1 1 88 88 GLU CA C 413 59.720 59.720 59.024 0.696 17685 3431 1 7 . 1 1 88 88 GLU CB C 413 29.021 29.021 29.091 -0.070 17685 3432 1 7 . 1 1 88 88 GLU H H 413 7.882 7.882 7.771 0.111 17685 3433 1 7 . 1 1 89 89 SER N N 414 116.823 116.823 115.765 1.058 17685 3434 1 7 . 1 1 89 89 SER HA H 414 3.765 3.765 4.165 -0.400 17685 3435 1 7 . 1 1 89 89 SER C C 414 176.091 176.091 176.457 -0.366 17685 3436 1 7 . 1 1 89 89 SER CA C 414 63.550 63.550 61.514 2.035 17685 3437 1 7 . 1 1 89 89 SER CB C 414 63.718 63.718 62.668 1.050 17685 3438 1 7 . 1 1 89 89 SER H H 414 8.296 8.296 8.174 0.122 17685 3439 1 7 . 1 1 90 90 ALA N N 415 123.230 123.230 124.497 -1.267 17685 3440 1 7 . 1 1 90 90 ALA HA H 415 3.831 3.831 3.836 -0.005 17685 3441 1 7 . 1 1 90 90 ALA C C 415 177.963 177.963 179.166 -1.203 17685 3442 1 7 . 1 1 90 90 ALA CA C 415 55.415 55.415 55.663 -0.248 17685 3443 1 7 . 1 1 90 90 ALA CB C 415 19.432 19.432 18.238 1.194 17685 3444 1 7 . 1 1 90 90 ALA H H 415 8.805 8.805 8.539 0.266 17685 3445 1 7 . 1 1 91 91 LYS N N 416 117.753 117.753 118.154 -0.401 17685 3446 1 7 . 1 1 91 91 LYS HA H 416 3.972 3.972 4.095 -0.123 17685 3447 1 7 . 1 1 91 91 LYS C C 416 178.198 178.198 179.057 -0.859 17685 3448 1 7 . 1 1 91 91 LYS CA C 416 59.817 59.817 58.804 1.013 17685 3449 1 7 . 1 1 91 91 LYS CB C 416 32.247 32.247 31.983 0.264 17685 3450 1 7 . 1 1 91 91 LYS H H 416 8.085 8.085 8.009 0.076 17685 3451 1 7 . 1 1 92 92 THR N N 417 114.597 114.597 116.814 -2.217 17685 3452 1 7 . 1 1 92 92 THR HA H 417 4.075 4.075 4.037 0.038 17685 3453 1 7 . 1 1 92 92 THR C C 417 177.541 177.541 177.098 0.443 17685 3454 1 7 . 1 1 92 92 THR CA C 417 66.473 66.473 66.517 -0.044 17685 3455 1 7 . 1 1 92 92 THR CB C 417 69.070 69.070 68.505 0.565 17685 3456 1 7 . 1 1 92 92 THR H H 417 7.923 7.923 7.681 0.242 17685 3457 1 7 . 1 1 93 93 ILE N N 418 124.160 124.160 122.107 2.053 17685 3458 1 7 . 1 1 93 93 ILE HA H 418 3.662 3.662 3.727 -0.065 17685 3459 1 7 . 1 1 93 93 ILE C C 418 178.114 178.114 177.598 0.516 17685 3460 1 7 . 1 1 93 93 ILE CA C 418 65.626 65.626 65.745 -0.119 17685 3461 1 7 . 1 1 93 93 ILE CB C 418 38.297 38.297 37.771 0.526 17685 3462 1 7 . 1 1 93 93 ILE H H 418 7.984 7.984 8.399 -0.415 17685 3463 1 7 . 1 1 94 94 VAL N N 419 121.566 121.566 120.737 0.829 17685 3464 1 7 . 1 1 94 94 VAL HA H 419 4.156 4.156 4.023 0.133 17685 3465 1 7 . 1 1 94 94 VAL C C 419 181.424 181.424 177.268 4.156 17685 3466 1 7 . 1 1 94 94 VAL CA C 419 65.808 65.808 64.888 0.920 17685 3467 1 7 . 1 1 94 94 VAL CB C 419 31.892 31.892 32.311 -0.419 17685 3468 1 7 . 1 1 94 94 VAL H H 419 8.551 8.551 8.048 0.503 17685 3469 1 7 . 1 1 95 95 ASP N N 420 123.788 123.788 119.368 4.420 17685 3470 1 7 . 1 1 95 95 ASP HA H 420 4.477 4.477 4.416 0.061 17685 3471 1 7 . 1 1 95 95 ASP C C 420 178.220 178.220 177.863 0.357 17685 3472 1 7 . 1 1 95 95 ASP CA C 420 57.548 57.548 56.596 0.952 17685 3473 1 7 . 1 1 95 95 ASP CB C 420 39.850 39.850 40.933 -1.083 17685 3474 1 7 . 1 1 95 95 ASP H H 420 9.354 9.354 8.167 1.187 17685 3475 1 7 . 1 1 96 96 SER N N 421 111.960 111.960 113.463 -1.503 17685 3476 1 7 . 1 1 96 96 SER HA H 421 4.526 4.526 4.555 -0.029 17685 3477 1 7 . 1 1 96 96 SER C C 421 175.345 175.345 174.872 0.473 17685 3478 1 7 . 1 1 96 96 SER CA C 421 59.433 59.433 58.412 1.021 17685 3479 1 7 . 1 1 96 96 SER CB C 421 64.264 64.264 63.852 0.412 17685 3480 1 7 . 1 1 96 96 SER H H 421 7.862 7.862 7.607 0.255 17685 3481 1 7 . 1 1 97 97 GLY N N 422 110.240 110.240 108.867 1.373 17685 3482 1 7 . 1 1 97 97 GLY C C 422 175.158 175.158 175.307 -0.149 17685 3483 1 7 . 1 1 97 97 GLY CA C 422 45.606 45.606 45.684 -0.079 17685 3484 1 7 . 1 1 97 97 GLY H H 422 8.063 8.063 7.544 0.519 17685 3485 1 7 . 1 1 98 98 LYS N N 423 120.213 120.213 119.254 0.959 17685 3486 1 7 . 1 1 98 98 LYS HA H 423 4.083 4.083 4.230 -0.147 17685 3487 1 7 . 1 1 98 98 LYS C C 423 176.681 176.681 176.520 0.161 17685 3488 1 7 . 1 1 98 98 LYS CA C 423 59.417 59.417 57.988 1.429 17685 3489 1 7 . 1 1 98 98 LYS CB C 423 33.453 33.453 33.458 -0.005 17685 3490 1 7 . 1 1 98 98 LYS H H 423 7.992 7.992 8.175 -0.183 17685 3491 1 7 . 1 1 99 99 LEU N N 424 114.357 114.357 119.363 -5.006 17685 3492 1 7 . 1 1 99 99 LEU HA H 424 4.848 4.848 4.882 -0.034 17685 3493 1 7 . 1 1 99 99 LEU C C 424 174.161 174.161 174.100 0.061 17685 3494 1 7 . 1 1 99 99 LEU CA C 424 52.225 52.225 51.516 0.709 17685 3495 1 7 . 1 1 99 99 LEU CB C 424 46.075 46.075 44.331 1.744 17685 3496 1 7 . 1 1 99 99 LEU H H 424 6.865 6.865 7.441 -0.576 17685 3497 1 7 . 1 1 100 100 PRO HA H 425 4.650 4.650 4.658 -0.008 17685 3498 1 7 . 1 1 100 100 PRO C C 425 177.559 177.559 178.129 -0.570 17685 3499 1 7 . 1 1 100 100 PRO CA C 425 61.643 61.643 62.428 -0.785 17685 3500 1 7 . 1 1 100 100 PRO CB C 425 32.422 32.422 32.537 -0.115 17685 3501 1 7 . 1 1 101 101 SER N N 426 117.043 117.043 117.544 -0.501 17685 3502 1 7 . 1 1 101 101 SER HA H 426 3.824 3.824 4.105 -0.281 17685 3503 1 7 . 1 1 101 101 SER C C 426 177.202 177.202 176.217 0.985 17685 3504 1 7 . 1 1 101 101 SER CA C 426 61.708 61.708 62.302 -0.594 17685 3505 1 7 . 1 1 101 101 SER CB C 426 62.706 62.706 62.738 -0.032 17685 3506 1 7 . 1 1 101 101 SER H H 426 8.999 8.999 8.757 0.242 17685 3507 1 7 . 1 1 102 102 SER N N 427 114.761 114.761 117.112 -2.351 17685 3508 1 7 . 1 1 102 102 SER HA H 427 4.112 4.112 4.296 -0.184 17685 3509 1 7 . 1 1 102 102 SER C C 427 176.526 176.526 176.375 0.151 17685 3510 1 7 . 1 1 102 102 SER CA C 427 60.650 60.650 61.486 -0.836 17685 3511 1 7 . 1 1 102 102 SER CB C 427 62.213 62.213 62.874 -0.661 17685 3512 1 7 . 1 1 102 102 SER H H 427 8.115 8.115 8.497 -0.382 17685 3513 1 7 . 1 1 103 103 LEU N N 428 120.408 120.408 119.888 0.520 17685 3514 1 7 . 1 1 103 103 LEU HA H 428 4.435 4.435 4.292 0.143 17685 3515 1 7 . 1 1 103 103 LEU C C 428 176.698 176.698 176.414 0.284 17685 3516 1 7 . 1 1 103 103 LEU CA C 428 55.847 55.847 56.197 -0.350 17685 3517 1 7 . 1 1 103 103 LEU CB C 428 42.586 42.586 42.210 0.376 17685 3518 1 7 . 1 1 103 103 LEU H H 428 7.320 7.320 7.699 -0.379 17685 3519 1 7 . 1 1 104 104 LEU N N 429 117.860 117.860 116.344 1.516 17685 3520 1 7 . 1 1 104 104 LEU HA H 429 4.995 4.995 4.817 0.178 17685 3521 1 7 . 1 1 104 104 LEU C C 429 178.320 178.320 177.932 0.388 17685 3522 1 7 . 1 1 104 104 LEU CA C 429 52.672 52.672 52.945 -0.273 17685 3523 1 7 . 1 1 104 104 LEU CB C 429 43.039 43.039 40.508 2.531 17685 3524 1 7 . 1 1 104 104 LEU H H 429 7.325 7.325 7.504 -0.179 17685 3525 1 7 . 1 1 105 105 SER N N 430 112.664 112.664 117.211 -4.547 17685 3526 1 7 . 1 1 105 105 SER HA H 430 4.259 4.259 4.499 -0.240 17685 3527 1 7 . 1 1 105 105 SER C C 430 175.288 175.288 175.625 -0.337 17685 3528 1 7 . 1 1 105 105 SER CA C 430 61.247 61.247 61.312 -0.065 17685 3529 1 7 . 1 1 105 105 SER CB C 430 64.058 64.058 63.104 0.954 17685 3530 1 7 . 1 1 105 105 SER H H 430 6.990 6.990 7.668 -0.678 17685 3531 1 7 . 1 1 106 106 TYR N N 431 125.624 125.624 120.090 5.534 17685 3532 1 7 . 1 1 106 106 TYR HA H 431 4.060 4.060 4.173 -0.113 17685 3533 1 7 . 1 1 106 106 TYR C C 431 176.064 176.064 175.737 0.327 17685 3534 1 7 . 1 1 106 106 TYR CA C 431 61.449 61.449 60.253 1.196 17685 3535 1 7 . 1 1 106 106 TYR CB C 431 38.282 38.282 38.647 -0.364 17685 3536 1 7 . 1 1 106 106 TYR H H 431 10.433 10.433 7.988 2.445 17685 3537 1 7 . 1 1 107 107 PHE N N 432 113.203 113.203 112.325 0.878 17685 3538 1 7 . 1 1 107 107 PHE HA H 432 4.314 4.314 4.617 -0.303 17685 3539 1 7 . 1 1 107 107 PHE C C 432 173.901 173.901 175.776 -1.875 17685 3540 1 7 . 1 1 107 107 PHE CA C 432 59.810 59.810 59.402 0.408 17685 3541 1 7 . 1 1 107 107 PHE CB C 432 43.249 43.249 41.176 2.073 17685 3542 1 7 . 1 1 107 107 PHE H H 432 7.955 7.955 8.014 -0.059 17685 3543 1 8 . 1 1 22 22 SER N N 347 116.741 116.741 117.666 -0.925 17685 3544 1 8 . 1 1 22 22 SER HA H 347 4.355 4.355 4.634 -0.279 17685 3545 1 8 . 1 1 22 22 SER C C 347 176.272 176.272 176.209 0.063 17685 3546 1 8 . 1 1 22 22 SER CA C 347 59.651 59.651 58.192 1.459 17685 3547 1 8 . 1 1 22 22 SER CB C 347 63.231 63.231 64.243 -1.012 17685 3548 1 8 . 1 1 22 22 SER H H 347 8.311 8.311 8.339 -0.028 17685 3549 1 8 . 1 1 23 23 LYS N N 348 124.398 124.398 126.206 -1.808 17685 3550 1 8 . 1 1 23 23 LYS HA H 348 4.142 4.142 4.008 0.134 17685 3551 1 8 . 1 1 23 23 LYS C C 348 178.743 178.743 177.889 0.854 17685 3552 1 8 . 1 1 23 23 LYS CA C 348 59.304 59.304 59.100 0.204 17685 3553 1 8 . 1 1 23 23 LYS CB C 348 32.301 32.301 31.683 0.618 17685 3554 1 8 . 1 1 23 23 LYS H H 348 8.611 8.611 8.951 -0.340 17685 3555 1 8 . 1 1 24 24 ALA N N 349 122.494 122.494 122.741 -0.247 17685 3556 1 8 . 1 1 24 24 ALA HA H 349 4.137 4.137 4.175 -0.038 17685 3557 1 8 . 1 1 24 24 ALA C C 349 179.869 179.869 179.599 0.270 17685 3558 1 8 . 1 1 24 24 ALA CA C 349 54.811 54.811 54.855 -0.044 17685 3559 1 8 . 1 1 24 24 ALA CB C 349 18.284 18.284 17.898 0.386 17685 3560 1 8 . 1 1 24 24 ALA H H 349 8.245 8.245 8.386 -0.141 17685 3561 1 8 . 1 1 25 25 ALA N N 350 121.576 121.576 121.823 -0.247 17685 3562 1 8 . 1 1 25 25 ALA HA H 350 4.136 4.136 4.080 0.056 17685 3563 1 8 . 1 1 25 25 ALA C C 350 178.743 178.743 179.606 -0.863 17685 3564 1 8 . 1 1 25 25 ALA CA C 350 54.632 54.632 54.997 -0.365 17685 3565 1 8 . 1 1 25 25 ALA CB C 350 18.299 18.299 18.023 0.276 17685 3566 1 8 . 1 1 25 25 ALA H H 350 8.014 8.014 8.326 -0.312 17685 3567 1 8 . 1 1 26 26 LYS N N 351 119.618 119.618 119.280 0.338 17685 3568 1 8 . 1 1 26 26 LYS HA H 351 4.196 4.196 3.912 0.284 17685 3569 1 8 . 1 1 26 26 LYS C C 351 178.485 178.485 178.308 0.177 17685 3570 1 8 . 1 1 26 26 LYS CA C 351 60.014 60.014 59.688 0.326 17685 3571 1 8 . 1 1 26 26 LYS CB C 351 32.511 32.511 32.243 0.268 17685 3572 1 8 . 1 1 26 26 LYS H H 351 7.831 7.831 8.241 -0.410 17685 3573 1 8 . 1 1 27 27 LYS N N 352 118.080 118.080 119.070 -0.990 17685 3574 1 8 . 1 1 27 27 LYS HA H 352 3.958 3.958 3.961 -0.003 17685 3575 1 8 . 1 1 27 27 LYS C C 352 179.564 179.564 178.647 0.917 17685 3576 1 8 . 1 1 27 27 LYS CA C 352 60.092 60.092 59.654 0.438 17685 3577 1 8 . 1 1 27 27 LYS CB C 352 32.550 32.550 32.361 0.189 17685 3578 1 8 . 1 1 27 27 LYS H H 352 7.905 7.905 7.915 -0.010 17685 3579 1 8 . 1 1 28 28 LYS N N 353 119.878 119.878 118.949 0.929 17685 3580 1 8 . 1 1 28 28 LYS HA H 353 4.023 4.023 3.956 0.067 17685 3581 1 8 . 1 1 28 28 LYS C C 353 179.270 179.270 179.103 0.167 17685 3582 1 8 . 1 1 28 28 LYS CA C 353 59.806 59.806 59.646 0.160 17685 3583 1 8 . 1 1 28 28 LYS CB C 353 32.324 32.324 32.323 0.001 17685 3584 1 8 . 1 1 28 28 LYS H H 353 7.934 7.934 8.046 -0.112 17685 3585 1 8 . 1 1 29 29 ASN N N 354 119.780 119.780 117.820 1.960 17685 3586 1 8 . 1 1 29 29 ASN HA H 354 4.557 4.557 4.445 0.112 17685 3587 1 8 . 1 1 29 29 ASN C C 354 177.395 177.395 177.711 -0.316 17685 3588 1 8 . 1 1 29 29 ASN CA C 354 56.167 56.167 55.722 0.445 17685 3589 1 8 . 1 1 29 29 ASN CB C 354 37.928 37.928 38.029 -0.101 17685 3590 1 8 . 1 1 29 29 ASN H H 354 8.524 8.524 8.467 0.057 17685 3591 1 8 . 1 1 30 30 LYS N N 355 118.850 118.850 120.413 -1.563 17685 3592 1 8 . 1 1 30 30 LYS HA H 355 3.820 3.820 3.887 -0.067 17685 3593 1 8 . 1 1 30 30 LYS C C 355 178.266 178.266 178.965 -0.699 17685 3594 1 8 . 1 1 30 30 LYS CA C 355 61.698 61.698 60.192 1.506 17685 3595 1 8 . 1 1 30 30 LYS CB C 355 33.000 33.000 32.253 0.747 17685 3596 1 8 . 1 1 30 30 LYS H H 355 8.599 8.599 8.504 0.095 17685 3597 1 8 . 1 1 31 31 ARG N N 356 118.226 118.226 118.639 -0.413 17685 3598 1 8 . 1 1 31 31 ARG HA H 356 3.940 3.940 3.977 -0.037 17685 3599 1 8 . 1 1 31 31 ARG C C 356 177.676 177.676 177.925 -0.249 17685 3600 1 8 . 1 1 31 31 ARG CA C 356 59.316 59.316 59.169 0.148 17685 3601 1 8 . 1 1 31 31 ARG CB C 356 30.266 30.266 30.219 0.047 17685 3602 1 8 . 1 1 31 31 ARG H H 356 7.809 7.809 7.758 0.051 17685 3603 1 8 . 1 1 32 32 ALA N N 357 120.780 120.780 122.569 -1.789 17685 3604 1 8 . 1 1 32 32 ALA HA H 357 4.104 4.104 4.065 0.039 17685 3605 1 8 . 1 1 32 32 ALA C C 357 181.157 181.157 179.510 1.647 17685 3606 1 8 . 1 1 32 32 ALA CA C 357 55.118 55.118 54.974 0.144 17685 3607 1 8 . 1 1 32 32 ALA CB C 357 18.064 18.064 18.524 -0.460 17685 3608 1 8 . 1 1 32 32 ALA H H 357 8.155 8.155 7.960 0.195 17685 3609 1 8 . 1 1 33 33 ILE N N 358 116.468 116.468 118.012 -1.544 17685 3610 1 8 . 1 1 33 33 ILE HA H 358 3.590 3.590 3.732 -0.142 17685 3611 1 8 . 1 1 33 33 ILE C C 358 179.458 179.458 178.534 0.924 17685 3612 1 8 . 1 1 33 33 ILE CA C 358 65.775 65.775 64.741 1.034 17685 3613 1 8 . 1 1 33 33 ILE CB C 358 38.592 38.592 37.944 0.648 17685 3614 1 8 . 1 1 33 33 ILE H H 358 7.929 7.929 8.231 -0.302 17685 3615 1 8 . 1 1 34 34 ARG N N 359 119.937 119.937 120.318 -0.381 17685 3616 1 8 . 1 1 34 34 ARG HA H 359 3.998 3.998 4.040 -0.042 17685 3617 1 8 . 1 1 34 34 ARG C C 359 179.124 179.124 178.292 0.832 17685 3618 1 8 . 1 1 34 34 ARG CA C 359 60.029 60.029 59.462 0.567 17685 3619 1 8 . 1 1 34 34 ARG CB C 359 30.576 30.576 29.639 0.937 17685 3620 1 8 . 1 1 34 34 ARG H H 359 8.672 8.672 7.709 0.963 17685 3621 1 8 . 1 1 35 35 ASN N N 360 116.359 116.359 118.748 -2.389 17685 3622 1 8 . 1 1 35 35 ASN HA H 360 4.575 4.575 4.463 0.112 17685 3623 1 8 . 1 1 35 35 ASN C C 360 175.723 175.723 176.614 -0.891 17685 3624 1 8 . 1 1 35 35 ASN CA C 360 54.215 54.215 55.706 -1.491 17685 3625 1 8 . 1 1 35 35 ASN CB C 360 38.575 38.575 37.827 0.748 17685 3626 1 8 . 1 1 35 35 ASN H H 360 8.454 8.454 8.768 -0.314 17685 3627 1 8 . 1 1 36 36 SER N N 361 115.734 115.734 117.059 -1.325 17685 3628 1 8 . 1 1 36 36 SER HA H 361 3.995 3.995 4.142 -0.147 17685 3629 1 8 . 1 1 36 36 SER C C 361 176.129 176.129 175.836 0.293 17685 3630 1 8 . 1 1 36 36 SER CA C 361 62.349 62.349 62.030 0.319 17685 3631 1 8 . 1 1 36 36 SER CB C 361 63.664 63.664 62.905 0.759 17685 3632 1 8 . 1 1 36 36 SER H H 361 7.617 7.617 7.616 0.001 17685 3633 1 8 . 1 1 37 37 ALA N N 362 124.421 124.421 122.462 1.959 17685 3634 1 8 . 1 1 37 37 ALA HA H 362 3.770 3.770 3.733 0.037 17685 3635 1 8 . 1 1 37 37 ALA C C 362 178.482 178.482 177.572 0.910 17685 3636 1 8 . 1 1 37 37 ALA CA C 362 54.821 54.821 53.969 0.852 17685 3637 1 8 . 1 1 37 37 ALA CB C 362 18.347 18.347 18.098 0.249 17685 3638 1 8 . 1 1 37 37 ALA H H 362 6.868 6.868 7.658 -0.790 17685 3639 1 8 . 1 1 38 38 LYS N N 363 122.319 122.319 117.157 5.162 17685 3640 1 8 . 1 1 38 38 LYS HA H 363 2.913 2.913 3.956 -1.043 17685 3641 1 8 . 1 1 38 38 LYS C C 363 180.669 180.669 179.371 1.298 17685 3642 1 8 . 1 1 38 38 LYS CA C 363 59.567 59.567 58.380 1.187 17685 3643 1 8 . 1 1 38 38 LYS CB C 363 31.563 31.563 32.423 -0.860 17685 3644 1 8 . 1 1 38 38 LYS H H 363 8.317 8.317 7.415 0.902 17685 3645 1 8 . 1 1 39 39 GLU N N 364 118.666 118.666 117.536 1.130 17685 3646 1 8 . 1 1 39 39 GLU HA H 364 4.015 4.015 4.237 -0.222 17685 3647 1 8 . 1 1 39 39 GLU C C 364 176.609 176.609 178.033 -1.424 17685 3648 1 8 . 1 1 39 39 GLU CA C 364 58.674 58.674 58.426 0.248 17685 3649 1 8 . 1 1 39 39 GLU CB C 364 29.058 29.058 29.605 -0.547 17685 3650 1 8 . 1 1 39 39 GLU H H 364 7.935 7.935 8.018 -0.083 17685 3651 1 8 . 1 1 40 40 ALA N N 365 121.145 121.145 121.343 -0.198 17685 3652 1 8 . 1 1 40 40 ALA HA H 365 4.663 4.663 4.482 0.181 17685 3653 1 8 . 1 1 40 40 ALA C C 365 177.688 177.688 175.708 1.980 17685 3654 1 8 . 1 1 40 40 ALA CA C 365 50.931 50.931 51.121 -0.190 17685 3655 1 8 . 1 1 40 40 ALA CB C 365 18.566 18.566 19.387 -0.822 17685 3656 1 8 . 1 1 40 40 ALA H H 365 7.049 7.049 7.841 -0.792 17685 3657 1 8 . 1 1 41 41 ASP N N 366 121.103 121.103 115.819 5.284 17685 3658 1 8 . 1 1 41 41 ASP HA H 366 4.338 4.338 4.182 0.156 17685 3659 1 8 . 1 1 41 41 ASP C C 366 175.644 175.644 175.020 0.624 17685 3660 1 8 . 1 1 41 41 ASP CA C 366 55.898 55.898 54.533 1.365 17685 3661 1 8 . 1 1 41 41 ASP CB C 366 39.353 39.353 41.001 -1.648 17685 3662 1 8 . 1 1 41 41 ASP H H 366 8.099 8.099 7.131 0.968 17685 3663 1 8 . 1 1 42 42 TYR N N 367 110.700 110.700 120.643 -9.943 17685 3664 1 8 . 1 1 42 42 TYR HA H 367 2.485 2.485 3.998 -1.513 17685 3665 1 8 . 1 1 42 42 TYR C C 367 174.307 174.307 175.953 -1.646 17685 3666 1 8 . 1 1 42 42 TYR CA C 367 61.064 61.064 58.264 2.800 17685 3667 1 8 . 1 1 42 42 TYR CB C 367 34.242 34.242 38.118 -3.876 17685 3668 1 8 . 1 1 42 42 TYR H H 367 8.364 8.364 8.768 -0.404 17685 3669 1 8 . 1 1 43 43 PHE N N 368 111.305 111.305 115.569 -4.264 17685 3670 1 8 . 1 1 43 43 PHE HA H 368 4.666 4.666 4.233 0.433 17685 3671 1 8 . 1 1 43 43 PHE C C 368 177.162 177.162 176.343 0.819 17685 3672 1 8 . 1 1 43 43 PHE CA C 368 56.561 56.561 58.515 -1.954 17685 3673 1 8 . 1 1 43 43 PHE CB C 368 36.514 36.514 36.001 0.513 17685 3674 1 8 . 1 1 43 43 PHE H H 368 7.666 7.666 8.058 -0.392 17685 3675 1 8 . 1 1 44 44 GLY N N 369 106.300 106.300 105.941 0.359 17685 3676 1 8 . 1 1 44 44 GLY C C 369 174.446 174.446 174.620 -0.174 17685 3677 1 8 . 1 1 44 44 GLY CA C 369 45.780 45.780 45.056 0.724 17685 3678 1 8 . 1 1 44 44 GLY H H 369 7.671 7.671 8.748 -1.077 17685 3679 1 8 . 1 1 45 45 ASP N N 370 122.876 122.876 121.129 1.747 17685 3680 1 8 . 1 1 45 45 ASP HA H 370 5.323 5.323 4.919 0.404 17685 3681 1 8 . 1 1 45 45 ASP C C 370 176.360 176.360 176.156 0.204 17685 3682 1 8 . 1 1 45 45 ASP CA C 370 53.322 53.322 53.880 -0.558 17685 3683 1 8 . 1 1 45 45 ASP CB C 370 41.391 41.391 41.601 -0.210 17685 3684 1 8 . 1 1 45 45 ASP H H 370 8.331 8.331 8.071 0.260 17685 3685 1 8 . 1 1 46 46 ALA N N 371 121.771 121.771 123.600 -1.829 17685 3686 1 8 . 1 1 46 46 ALA HA H 371 3.600 3.600 3.630 -0.030 17685 3687 1 8 . 1 1 46 46 ALA C C 371 179.111 179.111 178.308 0.803 17685 3688 1 8 . 1 1 46 46 ALA CA C 371 56.038 56.038 54.708 1.330 17685 3689 1 8 . 1 1 46 46 ALA CB C 371 17.942 17.942 18.764 -0.822 17685 3690 1 8 . 1 1 46 46 ALA H H 371 8.282 8.282 8.414 -0.132 17685 3691 1 8 . 1 1 47 47 ASP N N 372 116.273 116.273 115.988 0.285 17685 3692 1 8 . 1 1 47 47 ASP HA H 372 4.359 4.359 4.418 -0.059 17685 3693 1 8 . 1 1 47 47 ASP C C 372 177.019 177.019 177.063 -0.044 17685 3694 1 8 . 1 1 47 47 ASP CA C 372 55.832 55.832 56.078 -0.246 17685 3695 1 8 . 1 1 47 47 ASP CB C 372 39.190 39.190 40.436 -1.246 17685 3696 1 8 . 1 1 47 47 ASP H H 372 9.068 9.068 8.626 0.442 17685 3697 1 8 . 1 1 48 48 LYS N N 373 120.180 120.180 118.283 1.897 17685 3698 1 8 . 1 1 48 48 LYS HA H 373 4.723 4.723 4.499 0.224 17685 3699 1 8 . 1 1 48 48 LYS C C 373 175.542 175.542 175.974 -0.432 17685 3700 1 8 . 1 1 48 48 LYS CA C 373 54.787 54.787 54.901 -0.114 17685 3701 1 8 . 1 1 48 48 LYS CB C 373 32.179 32.179 32.196 -0.017 17685 3702 1 8 . 1 1 48 48 LYS H H 373 8.050 8.050 7.758 0.292 17685 3703 1 8 . 1 1 49 49 ALA N N 374 122.498 122.498 122.590 -0.092 17685 3704 1 8 . 1 1 49 49 ALA HA H 374 3.068 3.068 3.505 -0.437 17685 3705 1 8 . 1 1 49 49 ALA C C 374 177.781 177.781 179.070 -1.289 17685 3706 1 8 . 1 1 49 49 ALA CA C 374 56.962 56.962 55.625 1.337 17685 3707 1 8 . 1 1 49 49 ALA CB C 374 17.855 17.855 17.848 0.007 17685 3708 1 8 . 1 1 49 49 ALA H H 374 7.045 7.045 7.422 -0.377 17685 3709 1 8 . 1 1 50 50 THR N N 375 108.573 108.573 112.183 -3.610 17685 3710 1 8 . 1 1 50 50 THR HA H 375 4.044 4.044 3.999 0.045 17685 3711 1 8 . 1 1 50 50 THR C C 375 177.647 177.647 176.431 1.216 17685 3712 1 8 . 1 1 50 50 THR CA C 375 66.201 66.201 67.246 -1.045 17685 3713 1 8 . 1 1 50 50 THR CB C 375 68.334 68.334 68.410 -0.076 17685 3714 1 8 . 1 1 50 50 THR H H 375 8.285 8.285 8.389 -0.104 17685 3715 1 8 . 1 1 51 51 THR N N 376 120.018 120.018 119.674 0.344 17685 3716 1 8 . 1 1 51 51 THR HA H 376 4.147 4.147 4.145 0.002 17685 3717 1 8 . 1 1 51 51 THR C C 376 175.499 175.499 176.722 -1.223 17685 3718 1 8 . 1 1 51 51 THR CA C 376 66.145 66.145 66.476 -0.331 17685 3719 1 8 . 1 1 51 51 THR CB C 376 69.382 69.382 68.530 0.852 17685 3720 1 8 . 1 1 51 51 THR H H 376 7.359 7.359 7.876 -0.517 17685 3721 1 8 . 1 1 52 52 ILE N N 377 122.319 122.319 121.743 0.576 17685 3722 1 8 . 1 1 52 52 ILE HA H 377 3.168 3.168 3.484 -0.316 17685 3723 1 8 . 1 1 52 52 ILE C C 377 177.879 177.879 177.419 0.460 17685 3724 1 8 . 1 1 52 52 ILE CA C 377 67.070 67.070 65.612 1.458 17685 3725 1 8 . 1 1 52 52 ILE CB C 377 38.257 38.257 37.498 0.759 17685 3726 1 8 . 1 1 52 52 ILE H H 377 8.346 8.346 8.691 -0.345 17685 3727 1 8 . 1 1 53 53 ASP N N 378 117.696 117.696 119.897 -2.201 17685 3728 1 8 . 1 1 53 53 ASP HA H 378 4.739 4.739 4.343 0.396 17685 3729 1 8 . 1 1 53 53 ASP C C 378 180.094 180.094 178.417 1.677 17685 3730 1 8 . 1 1 53 53 ASP CA C 378 58.044 58.044 58.081 -0.037 17685 3731 1 8 . 1 1 53 53 ASP CB C 378 39.648 39.648 40.903 -1.255 17685 3732 1 8 . 1 1 53 53 ASP H H 378 8.991 8.991 8.359 0.632 17685 3733 1 8 . 1 1 54 54 GLU N N 379 121.956 121.956 119.440 2.516 17685 3734 1 8 . 1 1 54 54 GLU HA H 379 4.174 4.174 4.063 0.111 17685 3735 1 8 . 1 1 54 54 GLU C C 379 179.679 179.679 179.124 0.555 17685 3736 1 8 . 1 1 54 54 GLU CA C 379 59.572 59.572 59.102 0.470 17685 3737 1 8 . 1 1 54 54 GLU CB C 379 29.324 29.324 29.603 -0.279 17685 3738 1 8 . 1 1 54 54 GLU H H 379 7.946 7.946 7.625 0.321 17685 3739 1 8 . 1 1 55 55 GLN N N 380 120.733 120.733 119.262 1.471 17685 3740 1 8 . 1 1 55 55 GLN HA H 380 4.171 4.171 4.166 0.005 17685 3741 1 8 . 1 1 55 55 GLN C C 380 178.288 178.288 178.944 -0.656 17685 3742 1 8 . 1 1 55 55 GLN CA C 380 59.994 59.994 58.670 1.324 17685 3743 1 8 . 1 1 55 55 GLN CB C 380 29.566 29.566 28.656 0.910 17685 3744 1 8 . 1 1 55 55 GLN H H 380 8.357 8.357 8.426 -0.069 17685 3745 1 8 . 1 1 56 56 VAL N N 381 120.353 120.353 118.088 2.265 17685 3746 1 8 . 1 1 56 56 VAL HA H 381 3.536 3.536 3.675 -0.139 17685 3747 1 8 . 1 1 56 56 VAL C C 381 178.220 178.220 178.317 -0.097 17685 3748 1 8 . 1 1 56 56 VAL CA C 381 67.557 67.557 66.034 1.523 17685 3749 1 8 . 1 1 56 56 VAL CB C 381 31.349 31.349 30.580 0.769 17685 3750 1 8 . 1 1 56 56 VAL H H 381 9.484 9.484 8.678 0.806 17685 3751 1 8 . 1 1 57 57 GLY N N 382 106.926 106.926 108.451 -1.525 17685 3752 1 8 . 1 1 57 57 GLY C C 382 174.843 174.843 176.385 -1.542 17685 3753 1 8 . 1 1 57 57 GLY CA C 382 47.694 47.694 47.232 0.462 17685 3754 1 8 . 1 1 57 57 GLY H H 382 8.169 8.169 7.615 0.554 17685 3755 1 8 . 1 1 58 58 LEU N N 383 120.610 120.610 122.856 -2.246 17685 3756 1 8 . 1 1 58 58 LEU HA H 383 4.151 4.151 3.948 0.203 17685 3757 1 8 . 1 1 58 58 LEU C C 383 180.087 180.087 179.076 1.011 17685 3758 1 8 . 1 1 58 58 LEU CA C 383 57.974 57.974 57.745 0.229 17685 3759 1 8 . 1 1 58 58 LEU CB C 383 42.125 42.125 41.755 0.369 17685 3760 1 8 . 1 1 58 58 LEU H H 383 7.568 7.568 8.469 -0.901 17685 3761 1 8 . 1 1 59 59 ILE N N 384 120.213 120.213 120.255 -0.042 17685 3762 1 8 . 1 1 59 59 ILE HA H 384 3.416 3.416 3.663 -0.247 17685 3763 1 8 . 1 1 59 59 ILE C C 384 178.310 178.310 178.654 -0.344 17685 3764 1 8 . 1 1 59 59 ILE CA C 384 66.069 66.069 65.471 0.599 17685 3765 1 8 . 1 1 59 59 ILE CB C 384 38.233 38.233 37.965 0.268 17685 3766 1 8 . 1 1 59 59 ILE H H 384 8.057 8.057 7.800 0.257 17685 3767 1 8 . 1 1 60 60 VAL N N 385 115.546 115.546 114.660 0.886 17685 3768 1 8 . 1 1 60 60 VAL HA H 385 3.560 3.560 3.661 -0.101 17685 3769 1 8 . 1 1 60 60 VAL C C 385 177.921 177.921 176.817 1.104 17685 3770 1 8 . 1 1 60 60 VAL CA C 385 66.702 66.702 65.484 1.218 17685 3771 1 8 . 1 1 60 60 VAL CB C 385 31.565 31.565 31.692 -0.127 17685 3772 1 8 . 1 1 60 60 VAL H H 385 8.672 8.672 8.136 0.536 17685 3773 1 8 . 1 1 61 61 ASP N N 386 117.831 117.831 117.706 0.125 17685 3774 1 8 . 1 1 61 61 ASP HA H 386 4.571 4.571 4.527 0.044 17685 3775 1 8 . 1 1 61 61 ASP C C 386 177.238 177.238 178.323 -1.085 17685 3776 1 8 . 1 1 61 61 ASP CA C 386 56.184 56.184 56.138 0.046 17685 3777 1 8 . 1 1 61 61 ASP CB C 386 40.632 40.632 42.046 -1.414 17685 3778 1 8 . 1 1 61 61 ASP H H 386 7.988 7.988 7.966 0.022 17685 3779 1 8 . 1 1 62 62 SER N N 387 114.761 114.761 115.157 -0.396 17685 3780 1 8 . 1 1 62 62 SER HA H 387 4.577 4.577 4.366 0.211 17685 3781 1 8 . 1 1 62 62 SER C C 387 173.645 173.645 175.651 -2.006 17685 3782 1 8 . 1 1 62 62 SER CA C 387 59.694 59.694 59.835 -0.141 17685 3783 1 8 . 1 1 62 62 SER CB C 387 64.588 64.588 63.888 0.700 17685 3784 1 8 . 1 1 62 62 SER H H 387 7.755 7.755 7.866 -0.111 17685 3785 1 8 . 1 1 63 63 LEU N N 388 121.610 121.610 123.377 -1.767 17685 3786 1 8 . 1 1 63 63 LEU HA H 388 4.506 4.506 4.335 0.171 17685 3787 1 8 . 1 1 63 63 LEU C C 388 177.071 177.071 175.416 1.655 17685 3788 1 8 . 1 1 63 63 LEU CA C 388 54.490 54.490 54.753 -0.263 17685 3789 1 8 . 1 1 63 63 LEU CB C 388 42.414 42.414 42.962 -0.548 17685 3790 1 8 . 1 1 63 63 LEU H H 388 7.083 7.083 7.491 -0.408 17685 3791 1 8 . 1 1 64 64 ASN N N 389 122.154 122.154 116.677 5.477 17685 3792 1 8 . 1 1 64 64 ASN HA H 389 4.748 4.748 4.793 -0.045 17685 3793 1 8 . 1 1 64 64 ASN C C 389 175.144 175.144 175.980 -0.836 17685 3794 1 8 . 1 1 64 64 ASN CA C 389 51.898 51.898 51.396 0.502 17685 3795 1 8 . 1 1 64 64 ASN CB C 389 37.762 37.762 40.529 -2.767 17685 3796 1 8 . 1 1 64 64 ASN H H 389 9.587 9.587 8.100 1.487 17685 3797 1 8 . 1 1 65 65 ASP N N 390 116.882 116.882 119.323 -2.441 17685 3798 1 8 . 1 1 65 65 ASP HA H 390 4.288 4.288 4.220 0.068 17685 3799 1 8 . 1 1 65 65 ASP C C 390 178.601 178.601 177.271 1.330 17685 3800 1 8 . 1 1 65 65 ASP CA C 390 58.992 58.992 57.649 1.343 17685 3801 1 8 . 1 1 65 65 ASP CB C 390 40.168 40.168 40.265 -0.097 17685 3802 1 8 . 1 1 65 65 ASP H H 390 8.504 8.504 8.728 -0.224 17685 3803 1 8 . 1 1 66 66 GLU N N 391 119.807 119.807 119.479 0.328 17685 3804 1 8 . 1 1 66 66 GLU HA H 391 4.048 4.048 4.137 -0.089 17685 3805 1 8 . 1 1 66 66 GLU C C 391 179.549 179.549 178.919 0.630 17685 3806 1 8 . 1 1 66 66 GLU CA C 391 59.943 59.943 58.978 0.965 17685 3807 1 8 . 1 1 66 66 GLU CB C 391 29.119 29.119 29.317 -0.198 17685 3808 1 8 . 1 1 66 66 GLU H H 391 8.318 8.318 8.644 -0.326 17685 3809 1 8 . 1 1 67 67 GLU N N 392 121.747 121.747 119.585 2.162 17685 3810 1 8 . 1 1 67 67 GLU HA H 392 4.151 4.151 4.135 0.016 17685 3811 1 8 . 1 1 67 67 GLU C C 392 180.544 180.544 179.194 1.350 17685 3812 1 8 . 1 1 67 67 GLU CA C 392 58.307 58.307 58.436 -0.129 17685 3813 1 8 . 1 1 67 67 GLU CB C 392 30.933 30.933 29.275 1.658 17685 3814 1 8 . 1 1 67 67 GLU H H 392 8.709 8.709 7.780 0.929 17685 3815 1 8 . 1 1 68 68 LEU N N 393 123.523 123.523 120.422 3.101 17685 3816 1 8 . 1 1 68 68 LEU HA H 393 3.923 3.923 4.088 -0.165 17685 3817 1 8 . 1 1 68 68 LEU C C 393 178.151 178.151 179.408 -1.257 17685 3818 1 8 . 1 1 68 68 LEU CA C 393 58.642 58.642 57.834 0.808 17685 3819 1 8 . 1 1 68 68 LEU CB C 393 42.304 42.304 41.608 0.696 17685 3820 1 8 . 1 1 68 68 LEU H H 393 8.930 8.930 7.925 1.006 17685 3821 1 8 . 1 1 69 69 VAL N N 394 118.071 118.071 118.070 0.001 17685 3822 1 8 . 1 1 69 69 VAL HA H 394 3.527 3.527 3.598 -0.071 17685 3823 1 8 . 1 1 69 69 VAL C C 394 177.701 177.701 178.212 -0.511 17685 3824 1 8 . 1 1 69 69 VAL CA C 394 66.494 66.494 66.814 -0.320 17685 3825 1 8 . 1 1 69 69 VAL CB C 394 32.103 32.103 31.235 0.868 17685 3826 1 8 . 1 1 69 69 VAL H H 394 7.304 7.304 7.646 -0.342 17685 3827 1 8 . 1 1 70 70 SER N N 395 112.686 112.686 114.960 -2.274 17685 3828 1 8 . 1 1 70 70 SER HA H 395 4.238 4.238 4.238 0.000 17685 3829 1 8 . 1 1 70 70 SER C C 395 177.618 177.618 176.561 1.057 17685 3830 1 8 . 1 1 70 70 SER CA C 395 61.410 61.410 61.847 -0.437 17685 3831 1 8 . 1 1 70 70 SER CB C 395 63.002 63.002 62.936 0.066 17685 3832 1 8 . 1 1 70 70 SER H H 395 7.906 7.906 7.426 0.479 17685 3833 1 8 . 1 1 71 71 THR N N 396 118.003 118.003 115.143 2.860 17685 3834 1 8 . 1 1 71 71 THR HA H 396 3.767 3.767 3.984 -0.217 17685 3835 1 8 . 1 1 71 71 THR C C 396 175.404 175.404 176.543 -1.139 17685 3836 1 8 . 1 1 71 71 THR CA C 396 67.763 67.763 65.498 2.265 17685 3837 1 8 . 1 1 71 71 THR CB C 396 68.498 68.498 68.727 -0.229 17685 3838 1 8 . 1 1 71 71 THR H H 396 8.511 8.511 8.044 0.467 17685 3839 1 8 . 1 1 72 72 ALA N N 397 123.373 123.373 124.239 -0.866 17685 3840 1 8 . 1 1 72 72 ALA HA H 397 3.857 3.857 3.958 -0.101 17685 3841 1 8 . 1 1 72 72 ALA C C 397 180.173 180.173 178.794 1.379 17685 3842 1 8 . 1 1 72 72 ALA CA C 397 56.079 56.079 55.006 1.073 17685 3843 1 8 . 1 1 72 72 ALA CB C 397 17.767 17.767 18.331 -0.564 17685 3844 1 8 . 1 1 72 72 ALA H H 397 8.268 8.268 8.426 -0.158 17685 3845 1 8 . 1 1 73 73 ASP N N 398 118.963 118.963 117.183 1.780 17685 3846 1 8 . 1 1 73 73 ASP HA H 398 4.382 4.382 4.361 0.021 17685 3847 1 8 . 1 1 73 73 ASP C C 398 179.471 179.471 178.439 1.032 17685 3848 1 8 . 1 1 73 73 ASP CA C 398 57.692 57.692 57.550 0.142 17685 3849 1 8 . 1 1 73 73 ASP CB C 398 40.015 40.015 40.957 -0.942 17685 3850 1 8 . 1 1 73 73 ASP H H 398 8.585 8.585 8.099 0.486 17685 3851 1 8 . 1 1 74 74 LYS N N 399 120.591 120.591 118.855 1.736 17685 3852 1 8 . 1 1 74 74 LYS HA H 399 4.050 4.050 4.131 -0.081 17685 3853 1 8 . 1 1 74 74 LYS C C 399 180.082 180.082 178.969 1.113 17685 3854 1 8 . 1 1 74 74 LYS CA C 399 60.001 60.001 58.403 1.598 17685 3855 1 8 . 1 1 74 74 LYS CB C 399 34.080 34.080 32.268 1.812 17685 3856 1 8 . 1 1 74 74 LYS H H 399 8.003 8.003 7.272 0.731 17685 3857 1 8 . 1 1 75 75 ILE N N 400 120.602 120.602 119.426 1.176 17685 3858 1 8 . 1 1 75 75 ILE HA H 400 3.687 3.687 3.873 -0.186 17685 3859 1 8 . 1 1 75 75 ILE C C 400 177.770 177.770 178.232 -0.462 17685 3860 1 8 . 1 1 75 75 ILE CA C 400 64.860 64.860 64.988 -0.128 17685 3861 1 8 . 1 1 75 75 ILE CB C 400 38.253 38.253 37.855 0.398 17685 3862 1 8 . 1 1 75 75 ILE H H 400 7.877 7.877 8.003 -0.126 17685 3863 1 8 . 1 1 76 76 LYS N N 401 120.036 120.036 117.468 2.568 17685 3864 1 8 . 1 1 76 76 LYS HA H 401 4.032 4.032 4.038 -0.006 17685 3865 1 8 . 1 1 76 76 LYS C C 401 178.423 178.423 178.349 0.074 17685 3866 1 8 . 1 1 76 76 LYS CA C 401 58.735 58.735 59.003 -0.268 17685 3867 1 8 . 1 1 76 76 LYS CB C 401 32.325 32.325 31.980 0.345 17685 3868 1 8 . 1 1 76 76 LYS H H 401 8.260 8.260 8.312 -0.052 17685 3869 1 8 . 1 1 77 77 ALA N N 402 118.655 118.655 121.335 -2.680 17685 3870 1 8 . 1 1 77 77 ALA HA H 402 4.205 4.205 4.304 -0.099 17685 3871 1 8 . 1 1 77 77 ALA C C 402 177.949 177.949 177.746 0.203 17685 3872 1 8 . 1 1 77 77 ALA CA C 402 53.673 53.673 53.031 0.642 17685 3873 1 8 . 1 1 77 77 ALA CB C 402 19.018 19.018 19.350 -0.332 17685 3874 1 8 . 1 1 77 77 ALA H H 402 7.564 7.564 7.601 -0.037 17685 3875 1 8 . 1 1 78 78 ASN N N 403 113.964 113.964 117.076 -3.112 17685 3876 1 8 . 1 1 78 78 ASN HA H 403 4.841 4.841 4.800 0.041 17685 3877 1 8 . 1 1 78 78 ASN C C 403 174.866 174.866 175.152 -0.286 17685 3878 1 8 . 1 1 78 78 ASN CA C 403 52.485 52.485 52.883 -0.398 17685 3879 1 8 . 1 1 78 78 ASN CB C 403 37.659 37.659 39.560 -1.901 17685 3880 1 8 . 1 1 78 78 ASN H H 403 7.397 7.397 7.608 -0.211 17685 3881 1 8 . 1 1 79 79 ALA N N 404 131.057 131.057 128.350 2.707 17685 3882 1 8 . 1 1 79 79 ALA HA H 404 4.160 4.160 4.310 -0.150 17685 3883 1 8 . 1 1 79 79 ALA C C 404 180.575 180.575 178.730 1.845 17685 3884 1 8 . 1 1 79 79 ALA CA C 404 56.271 56.271 54.595 1.676 17685 3885 1 8 . 1 1 79 79 ALA CB C 404 18.357 18.357 18.959 -0.602 17685 3886 1 8 . 1 1 79 79 ALA H H 404 9.143 9.143 8.686 0.457 17685 3887 1 8 . 1 1 80 80 ALA N N 405 117.862 117.862 119.952 -2.090 17685 3888 1 8 . 1 1 80 80 ALA HA H 405 4.362 4.362 4.204 0.158 17685 3889 1 8 . 1 1 80 80 ALA C C 405 179.218 179.218 178.192 1.026 17685 3890 1 8 . 1 1 80 80 ALA CA C 405 53.931 53.931 53.736 0.195 17685 3891 1 8 . 1 1 80 80 ALA CB C 405 18.226 18.226 18.847 -0.621 17685 3892 1 8 . 1 1 80 80 ALA H H 405 8.315 8.315 7.979 0.336 17685 3893 1 8 . 1 1 81 81 GLY N N 406 106.895 106.895 104.734 2.161 17685 3894 1 8 . 1 1 81 81 GLY C C 406 175.175 175.175 174.480 0.695 17685 3895 1 8 . 1 1 81 81 GLY CA C 406 45.363 45.363 43.935 1.428 17685 3896 1 8 . 1 1 81 81 GLY H H 406 7.908 7.908 7.536 0.372 17685 3897 1 8 . 1 1 82 82 ALA N N 407 120.775 120.775 124.427 -3.652 17685 3898 1 8 . 1 1 82 82 ALA HA H 407 3.971 3.971 4.001 -0.030 17685 3899 1 8 . 1 1 82 82 ALA C C 407 177.879 177.879 178.596 -0.717 17685 3900 1 8 . 1 1 82 82 ALA CA C 407 56.076 56.076 55.631 0.445 17685 3901 1 8 . 1 1 82 82 ALA CB C 407 19.120 19.120 18.919 0.201 17685 3902 1 8 . 1 1 82 82 ALA H H 407 7.574 7.574 7.929 -0.355 17685 3903 1 8 . 1 1 83 83 LYS N N 408 117.628 117.628 118.046 -0.418 17685 3904 1 8 . 1 1 83 83 LYS HA H 408 3.352 3.352 3.848 -0.496 17685 3905 1 8 . 1 1 83 83 LYS C C 408 178.064 178.064 177.780 0.284 17685 3906 1 8 . 1 1 83 83 LYS CA C 408 61.404 61.404 59.501 1.903 17685 3907 1 8 . 1 1 83 83 LYS CB C 408 31.311 31.311 31.531 -0.220 17685 3908 1 8 . 1 1 83 83 LYS H H 408 8.755 8.755 8.115 0.640 17685 3909 1 8 . 1 1 84 84 GLU N N 409 116.005 116.005 118.086 -2.081 17685 3910 1 8 . 1 1 84 84 GLU HA H 409 3.994 3.994 4.075 -0.081 17685 3911 1 8 . 1 1 84 84 GLU C C 409 179.508 179.508 178.200 1.308 17685 3912 1 8 . 1 1 84 84 GLU CA C 409 59.300 59.300 58.813 0.487 17685 3913 1 8 . 1 1 84 84 GLU CB C 409 28.978 28.978 28.218 0.760 17685 3914 1 8 . 1 1 84 84 GLU H H 409 7.708 7.708 8.248 -0.540 17685 3915 1 8 . 1 1 85 85 VAL N N 410 120.216 120.216 119.505 0.711 17685 3916 1 8 . 1 1 85 85 VAL HA H 410 3.786 3.786 3.800 -0.014 17685 3917 1 8 . 1 1 85 85 VAL C C 410 179.087 179.087 177.489 1.598 17685 3918 1 8 . 1 1 85 85 VAL CA C 410 66.066 66.066 66.061 0.005 17685 3919 1 8 . 1 1 85 85 VAL CB C 410 32.060 32.060 31.848 0.212 17685 3920 1 8 . 1 1 85 85 VAL H H 410 7.494 7.494 7.489 0.005 17685 3921 1 8 . 1 1 86 86 LEU N N 411 121.293 121.293 120.844 0.449 17685 3922 1 8 . 1 1 86 86 LEU HA H 411 3.871 3.871 3.940 -0.069 17685 3923 1 8 . 1 1 86 86 LEU C C 411 178.844 178.844 179.478 -0.634 17685 3924 1 8 . 1 1 86 86 LEU CA C 411 58.100 58.100 57.386 0.713 17685 3925 1 8 . 1 1 86 86 LEU CB C 411 42.047 42.047 40.815 1.232 17685 3926 1 8 . 1 1 86 86 LEU H H 411 8.371 8.371 7.893 0.478 17685 3927 1 8 . 1 1 87 87 LYS N N 412 119.536 119.536 118.600 0.936 17685 3928 1 8 . 1 1 87 87 LYS HA H 412 4.206 4.206 4.285 -0.079 17685 3929 1 8 . 1 1 87 87 LYS C C 412 179.347 179.347 179.127 0.220 17685 3930 1 8 . 1 1 87 87 LYS CA C 412 60.924 60.924 59.683 1.241 17685 3931 1 8 . 1 1 87 87 LYS CB C 412 32.216 32.216 32.147 0.069 17685 3932 1 8 . 1 1 87 87 LYS H H 412 8.818 8.818 8.636 0.182 17685 3933 1 8 . 1 1 88 88 GLU N N 413 120.780 120.780 119.365 1.415 17685 3934 1 8 . 1 1 88 88 GLU HA H 413 4.127 4.127 4.226 -0.099 17685 3935 1 8 . 1 1 88 88 GLU C C 413 179.469 179.469 179.113 0.356 17685 3936 1 8 . 1 1 88 88 GLU CA C 413 59.720 59.720 58.762 0.958 17685 3937 1 8 . 1 1 88 88 GLU CB C 413 29.021 29.021 29.229 -0.208 17685 3938 1 8 . 1 1 88 88 GLU H H 413 7.882 7.882 7.807 0.075 17685 3939 1 8 . 1 1 89 89 SER N N 414 116.823 116.823 117.188 -0.365 17685 3940 1 8 . 1 1 89 89 SER HA H 414 3.765 3.765 4.066 -0.301 17685 3941 1 8 . 1 1 89 89 SER C C 414 176.091 176.091 176.394 -0.303 17685 3942 1 8 . 1 1 89 89 SER CA C 414 63.550 63.550 61.910 1.640 17685 3943 1 8 . 1 1 89 89 SER CB C 414 63.718 63.718 62.484 1.234 17685 3944 1 8 . 1 1 89 89 SER H H 414 8.296 8.296 8.037 0.259 17685 3945 1 8 . 1 1 90 90 ALA N N 415 123.230 123.230 125.521 -2.291 17685 3946 1 8 . 1 1 90 90 ALA HA H 415 3.831 3.831 3.898 -0.067 17685 3947 1 8 . 1 1 90 90 ALA C C 415 177.963 177.963 179.499 -1.536 17685 3948 1 8 . 1 1 90 90 ALA CA C 415 55.415 55.415 55.264 0.151 17685 3949 1 8 . 1 1 90 90 ALA CB C 415 19.432 19.432 18.407 1.025 17685 3950 1 8 . 1 1 90 90 ALA H H 415 8.805 8.805 8.173 0.632 17685 3951 1 8 . 1 1 91 91 LYS N N 416 117.753 117.753 117.610 0.143 17685 3952 1 8 . 1 1 91 91 LYS HA H 416 3.972 3.972 4.072 -0.100 17685 3953 1 8 . 1 1 91 91 LYS C C 416 178.198 178.198 179.458 -1.260 17685 3954 1 8 . 1 1 91 91 LYS CA C 416 59.817 59.817 59.000 0.817 17685 3955 1 8 . 1 1 91 91 LYS CB C 416 32.247 32.247 31.906 0.341 17685 3956 1 8 . 1 1 91 91 LYS H H 416 8.085 8.085 7.826 0.259 17685 3957 1 8 . 1 1 92 92 THR N N 417 114.597 114.597 117.123 -2.526 17685 3958 1 8 . 1 1 92 92 THR HA H 417 4.075 4.075 4.122 -0.047 17685 3959 1 8 . 1 1 92 92 THR C C 417 177.541 177.541 176.500 1.041 17685 3960 1 8 . 1 1 92 92 THR CA C 417 66.473 66.473 66.530 -0.057 17685 3961 1 8 . 1 1 92 92 THR CB C 417 69.070 69.070 68.483 0.587 17685 3962 1 8 . 1 1 92 92 THR H H 417 7.923 7.923 7.698 0.225 17685 3963 1 8 . 1 1 93 93 ILE N N 418 124.160 124.160 122.424 1.736 17685 3964 1 8 . 1 1 93 93 ILE HA H 418 3.662 3.662 3.613 0.049 17685 3965 1 8 . 1 1 93 93 ILE C C 418 178.114 178.114 177.522 0.592 17685 3966 1 8 . 1 1 93 93 ILE CA C 418 65.626 65.626 65.963 -0.337 17685 3967 1 8 . 1 1 93 93 ILE CB C 418 38.297 38.297 37.523 0.774 17685 3968 1 8 . 1 1 93 93 ILE H H 418 7.984 7.984 8.555 -0.571 17685 3969 1 8 . 1 1 94 94 VAL N N 419 121.566 121.566 119.840 1.726 17685 3970 1 8 . 1 1 94 94 VAL HA H 419 4.156 4.156 4.028 0.128 17685 3971 1 8 . 1 1 94 94 VAL C C 419 181.424 181.424 178.643 2.781 17685 3972 1 8 . 1 1 94 94 VAL CA C 419 65.808 65.808 65.448 0.360 17685 3973 1 8 . 1 1 94 94 VAL CB C 419 31.892 31.892 31.181 0.711 17685 3974 1 8 . 1 1 94 94 VAL H H 419 8.551 8.551 8.011 0.540 17685 3975 1 8 . 1 1 95 95 ASP N N 420 123.788 123.788 120.157 3.631 17685 3976 1 8 . 1 1 95 95 ASP HA H 420 4.477 4.477 4.452 0.025 17685 3977 1 8 . 1 1 95 95 ASP C C 420 178.220 178.220 178.435 -0.215 17685 3978 1 8 . 1 1 95 95 ASP CA C 420 57.548 57.548 56.670 0.878 17685 3979 1 8 . 1 1 95 95 ASP CB C 420 39.850 39.850 41.128 -1.278 17685 3980 1 8 . 1 1 95 95 ASP H H 420 9.354 9.354 7.845 1.509 17685 3981 1 8 . 1 1 96 96 SER N N 421 111.960 111.960 112.726 -0.766 17685 3982 1 8 . 1 1 96 96 SER HA H 421 4.526 4.526 4.497 0.029 17685 3983 1 8 . 1 1 96 96 SER C C 421 175.345 175.345 174.812 0.533 17685 3984 1 8 . 1 1 96 96 SER CA C 421 59.433 59.433 58.930 0.503 17685 3985 1 8 . 1 1 96 96 SER CB C 421 64.264 64.264 63.949 0.315 17685 3986 1 8 . 1 1 96 96 SER H H 421 7.862 7.862 8.218 -0.356 17685 3987 1 8 . 1 1 97 97 GLY N N 422 110.240 110.240 109.062 1.178 17685 3988 1 8 . 1 1 97 97 GLY C C 422 175.158 175.158 175.472 -0.314 17685 3989 1 8 . 1 1 97 97 GLY CA C 422 45.606 45.606 46.202 -0.596 17685 3990 1 8 . 1 1 97 97 GLY H H 422 8.063 8.063 7.281 0.782 17685 3991 1 8 . 1 1 98 98 LYS N N 423 120.213 120.213 118.657 1.556 17685 3992 1 8 . 1 1 98 98 LYS HA H 423 4.083 4.083 4.200 -0.117 17685 3993 1 8 . 1 1 98 98 LYS C C 423 176.681 176.681 177.050 -0.369 17685 3994 1 8 . 1 1 98 98 LYS CA C 423 59.417 59.417 57.478 1.939 17685 3995 1 8 . 1 1 98 98 LYS CB C 423 33.453 33.453 33.138 0.315 17685 3996 1 8 . 1 1 98 98 LYS H H 423 7.992 7.992 8.417 -0.425 17685 3997 1 8 . 1 1 99 99 LEU N N 424 114.357 114.357 119.547 -5.190 17685 3998 1 8 . 1 1 99 99 LEU HA H 424 4.848 4.848 4.827 0.021 17685 3999 1 8 . 1 1 99 99 LEU C C 424 174.161 174.161 174.118 0.043 17685 4000 1 8 . 1 1 99 99 LEU CA C 424 52.225 52.225 51.812 0.413 17685 4001 1 8 . 1 1 99 99 LEU CB C 424 46.075 46.075 44.078 1.997 17685 4002 1 8 . 1 1 99 99 LEU H H 424 6.865 6.865 7.259 -0.394 17685 4003 1 8 . 1 1 100 100 PRO HA H 425 4.650 4.650 4.685 -0.035 17685 4004 1 8 . 1 1 100 100 PRO C C 425 177.559 177.559 178.161 -0.602 17685 4005 1 8 . 1 1 100 100 PRO CA C 425 61.643 61.643 62.566 -0.923 17685 4006 1 8 . 1 1 100 100 PRO CB C 425 32.422 32.422 32.288 0.134 17685 4007 1 8 . 1 1 101 101 SER N N 426 117.043 117.043 118.878 -1.835 17685 4008 1 8 . 1 1 101 101 SER HA H 426 3.824 3.824 4.107 -0.283 17685 4009 1 8 . 1 1 101 101 SER C C 426 177.202 177.202 176.364 0.838 17685 4010 1 8 . 1 1 101 101 SER CA C 426 61.708 61.708 61.513 0.195 17685 4011 1 8 . 1 1 101 101 SER CB C 426 62.706 62.706 62.344 0.362 17685 4012 1 8 . 1 1 101 101 SER H H 426 8.999 8.999 8.706 0.293 17685 4013 1 8 . 1 1 102 102 SER N N 427 114.761 114.761 118.625 -3.864 17685 4014 1 8 . 1 1 102 102 SER HA H 427 4.112 4.112 4.319 -0.207 17685 4015 1 8 . 1 1 102 102 SER C C 427 176.526 176.526 176.143 0.383 17685 4016 1 8 . 1 1 102 102 SER CA C 427 60.650 60.650 61.373 -0.723 17685 4017 1 8 . 1 1 102 102 SER CB C 427 62.213 62.213 62.844 -0.631 17685 4018 1 8 . 1 1 102 102 SER H H 427 8.115 8.115 8.456 -0.341 17685 4019 1 8 . 1 1 103 103 LEU N N 428 120.408 120.408 119.119 1.289 17685 4020 1 8 . 1 1 103 103 LEU HA H 428 4.435 4.435 4.282 0.153 17685 4021 1 8 . 1 1 103 103 LEU C C 428 176.698 176.698 176.074 0.624 17685 4022 1 8 . 1 1 103 103 LEU CA C 428 55.847 55.847 55.755 0.092 17685 4023 1 8 . 1 1 103 103 LEU CB C 428 42.586 42.586 41.923 0.662 17685 4024 1 8 . 1 1 103 103 LEU H H 428 7.320 7.320 7.661 -0.341 17685 4025 1 8 . 1 1 104 104 LEU N N 429 117.860 117.860 115.974 1.886 17685 4026 1 8 . 1 1 104 104 LEU HA H 429 4.995 4.995 4.652 0.343 17685 4027 1 8 . 1 1 104 104 LEU C C 429 178.320 178.320 177.279 1.041 17685 4028 1 8 . 1 1 104 104 LEU CA C 429 52.672 52.672 54.139 -1.467 17685 4029 1 8 . 1 1 104 104 LEU CB C 429 43.039 43.039 41.774 1.265 17685 4030 1 8 . 1 1 104 104 LEU H H 429 7.325 7.325 7.927 -0.602 17685 4031 1 8 . 1 1 105 105 SER N N 430 112.664 112.664 116.240 -3.576 17685 4032 1 8 . 1 1 105 105 SER HA H 430 4.259 4.259 4.162 0.097 17685 4033 1 8 . 1 1 105 105 SER C C 430 175.288 175.288 175.313 -0.025 17685 4034 1 8 . 1 1 105 105 SER CA C 430 61.247 61.247 61.575 -0.328 17685 4035 1 8 . 1 1 105 105 SER CB C 430 64.058 64.058 63.115 0.943 17685 4036 1 8 . 1 1 105 105 SER H H 430 6.990 6.990 7.841 -0.851 17685 4037 1 8 . 1 1 106 106 TYR N N 431 125.624 125.624 121.361 4.263 17685 4038 1 8 . 1 1 106 106 TYR HA H 431 4.060 4.060 4.190 -0.130 17685 4039 1 8 . 1 1 106 106 TYR C C 431 176.064 176.064 176.062 0.002 17685 4040 1 8 . 1 1 106 106 TYR CA C 431 61.449 61.449 60.432 1.017 17685 4041 1 8 . 1 1 106 106 TYR CB C 431 38.282 38.282 38.546 -0.264 17685 4042 1 8 . 1 1 106 106 TYR H H 431 10.433 10.433 7.860 2.573 17685 4043 1 8 . 1 1 107 107 PHE N N 432 113.203 113.203 114.177 -0.974 17685 4044 1 8 . 1 1 107 107 PHE HA H 432 4.314 4.314 4.577 -0.263 17685 4045 1 8 . 1 1 107 107 PHE C C 432 173.901 173.901 176.022 -2.121 17685 4046 1 8 . 1 1 107 107 PHE CA C 432 59.810 59.810 59.500 0.310 17685 4047 1 8 . 1 1 107 107 PHE CB C 432 43.249 43.249 40.241 3.008 17685 4048 1 8 . 1 1 107 107 PHE H H 432 7.955 7.955 7.885 0.070 17685 4049 1 9 . 1 1 22 22 SER N N 347 116.741 116.741 116.806 -0.065 17685 4050 1 9 . 1 1 22 22 SER HA H 347 4.355 4.355 4.756 -0.401 17685 4051 1 9 . 1 1 22 22 SER C C 347 176.272 176.272 175.723 0.549 17685 4052 1 9 . 1 1 22 22 SER CA C 347 59.651 59.651 57.450 2.201 17685 4053 1 9 . 1 1 22 22 SER CB C 347 63.231 63.231 64.403 -1.172 17685 4054 1 9 . 1 1 22 22 SER H H 347 8.311 8.311 8.256 0.055 17685 4055 1 9 . 1 1 23 23 LYS N N 348 124.398 124.398 122.777 1.621 17685 4056 1 9 . 1 1 23 23 LYS HA H 348 4.142 4.142 4.133 0.009 17685 4057 1 9 . 1 1 23 23 LYS C C 348 178.743 178.743 178.077 0.666 17685 4058 1 9 . 1 1 23 23 LYS CA C 348 59.304 59.304 58.772 0.532 17685 4059 1 9 . 1 1 23 23 LYS CB C 348 32.301 32.301 32.097 0.204 17685 4060 1 9 . 1 1 23 23 LYS H H 348 8.611 8.611 8.717 -0.106 17685 4061 1 9 . 1 1 24 24 ALA N N 349 122.494 122.494 122.591 -0.097 17685 4062 1 9 . 1 1 24 24 ALA HA H 349 4.137 4.137 4.282 -0.145 17685 4063 1 9 . 1 1 24 24 ALA C C 349 179.869 179.869 179.541 0.328 17685 4064 1 9 . 1 1 24 24 ALA CA C 349 54.811 54.811 54.228 0.583 17685 4065 1 9 . 1 1 24 24 ALA CB C 349 18.284 18.284 17.967 0.317 17685 4066 1 9 . 1 1 24 24 ALA H H 349 8.245 8.245 8.290 -0.045 17685 4067 1 9 . 1 1 25 25 ALA N N 350 121.576 121.576 121.614 -0.038 17685 4068 1 9 . 1 1 25 25 ALA HA H 350 4.136 4.136 4.000 0.136 17685 4069 1 9 . 1 1 25 25 ALA C C 350 178.743 178.743 179.512 -0.769 17685 4070 1 9 . 1 1 25 25 ALA CA C 350 54.632 54.632 54.491 0.141 17685 4071 1 9 . 1 1 25 25 ALA CB C 350 18.299 18.299 18.055 0.244 17685 4072 1 9 . 1 1 25 25 ALA H H 350 8.014 8.014 8.437 -0.423 17685 4073 1 9 . 1 1 26 26 LYS N N 351 119.618 119.618 118.712 0.906 17685 4074 1 9 . 1 1 26 26 LYS HA H 351 4.196 4.196 3.875 0.321 17685 4075 1 9 . 1 1 26 26 LYS C C 351 178.485 178.485 178.978 -0.493 17685 4076 1 9 . 1 1 26 26 LYS CA C 351 60.014 60.014 60.064 -0.050 17685 4077 1 9 . 1 1 26 26 LYS CB C 351 32.511 32.511 32.081 0.430 17685 4078 1 9 . 1 1 26 26 LYS H H 351 7.831 7.831 7.814 0.017 17685 4079 1 9 . 1 1 27 27 LYS N N 352 118.080 118.080 118.281 -0.201 17685 4080 1 9 . 1 1 27 27 LYS HA H 352 3.958 3.958 4.018 -0.060 17685 4081 1 9 . 1 1 27 27 LYS C C 352 179.564 179.564 178.818 0.746 17685 4082 1 9 . 1 1 27 27 LYS CA C 352 60.092 60.092 59.515 0.577 17685 4083 1 9 . 1 1 27 27 LYS CB C 352 32.550 32.550 32.135 0.415 17685 4084 1 9 . 1 1 27 27 LYS H H 352 7.905 7.905 7.780 0.125 17685 4085 1 9 . 1 1 28 28 LYS N N 353 119.878 119.878 119.793 0.085 17685 4086 1 9 . 1 1 28 28 LYS HA H 353 4.023 4.023 3.953 0.070 17685 4087 1 9 . 1 1 28 28 LYS C C 353 179.270 179.270 179.057 0.213 17685 4088 1 9 . 1 1 28 28 LYS CA C 353 59.806 59.806 59.468 0.338 17685 4089 1 9 . 1 1 28 28 LYS CB C 353 32.324 32.324 32.403 -0.079 17685 4090 1 9 . 1 1 28 28 LYS H H 353 7.934 7.934 7.663 0.271 17685 4091 1 9 . 1 1 29 29 ASN N N 354 119.780 119.780 117.621 2.159 17685 4092 1 9 . 1 1 29 29 ASN HA H 354 4.557 4.557 4.491 0.066 17685 4093 1 9 . 1 1 29 29 ASN C C 354 177.395 177.395 177.456 -0.061 17685 4094 1 9 . 1 1 29 29 ASN CA C 354 56.167 56.167 55.723 0.444 17685 4095 1 9 . 1 1 29 29 ASN CB C 354 37.928 37.928 38.129 -0.201 17685 4096 1 9 . 1 1 29 29 ASN H H 354 8.524 8.524 8.454 0.070 17685 4097 1 9 . 1 1 30 30 LYS N N 355 118.850 118.850 121.394 -2.544 17685 4098 1 9 . 1 1 30 30 LYS HA H 355 3.820 3.820 3.884 -0.064 17685 4099 1 9 . 1 1 30 30 LYS C C 355 178.266 178.266 178.736 -0.470 17685 4100 1 9 . 1 1 30 30 LYS CA C 355 61.698 61.698 59.679 2.019 17685 4101 1 9 . 1 1 30 30 LYS CB C 355 33.000 33.000 32.510 0.490 17685 4102 1 9 . 1 1 30 30 LYS H H 355 8.599 8.599 8.152 0.447 17685 4103 1 9 . 1 1 31 31 ARG N N 356 118.226 118.226 117.176 1.050 17685 4104 1 9 . 1 1 31 31 ARG HA H 356 3.940 3.940 4.186 -0.246 17685 4105 1 9 . 1 1 31 31 ARG C C 356 177.676 177.676 178.336 -0.660 17685 4106 1 9 . 1 1 31 31 ARG CA C 356 59.316 59.316 58.659 0.657 17685 4107 1 9 . 1 1 31 31 ARG CB C 356 30.266 30.266 29.867 0.399 17685 4108 1 9 . 1 1 31 31 ARG H H 356 7.809 7.809 7.735 0.074 17685 4109 1 9 . 1 1 32 32 ALA N N 357 120.780 120.780 123.328 -2.548 17685 4110 1 9 . 1 1 32 32 ALA HA H 357 4.104 4.104 4.107 -0.003 17685 4111 1 9 . 1 1 32 32 ALA C C 357 181.157 181.157 179.710 1.447 17685 4112 1 9 . 1 1 32 32 ALA CA C 357 55.118 55.118 54.798 0.320 17685 4113 1 9 . 1 1 32 32 ALA CB C 357 18.064 18.064 18.163 -0.100 17685 4114 1 9 . 1 1 32 32 ALA H H 357 8.155 8.155 7.829 0.326 17685 4115 1 9 . 1 1 33 33 ILE N N 358 116.468 116.468 117.304 -0.836 17685 4116 1 9 . 1 1 33 33 ILE HA H 358 3.590 3.590 3.698 -0.108 17685 4117 1 9 . 1 1 33 33 ILE C C 358 179.458 179.458 177.898 1.560 17685 4118 1 9 . 1 1 33 33 ILE CA C 358 65.775 65.775 63.288 2.487 17685 4119 1 9 . 1 1 33 33 ILE CB C 358 38.592 38.592 36.591 2.001 17685 4120 1 9 . 1 1 33 33 ILE H H 358 7.929 7.929 7.885 0.044 17685 4121 1 9 . 1 1 34 34 ARG N N 359 119.937 119.937 119.419 0.518 17685 4122 1 9 . 1 1 34 34 ARG HA H 359 3.998 3.998 4.015 -0.017 17685 4123 1 9 . 1 1 34 34 ARG C C 359 179.124 179.124 179.103 0.021 17685 4124 1 9 . 1 1 34 34 ARG CA C 359 60.029 60.029 59.416 0.613 17685 4125 1 9 . 1 1 34 34 ARG CB C 359 30.576 30.576 29.787 0.789 17685 4126 1 9 . 1 1 34 34 ARG H H 359 8.672 8.672 7.696 0.976 17685 4127 1 9 . 1 1 35 35 ASN N N 360 116.359 116.359 117.974 -1.615 17685 4128 1 9 . 1 1 35 35 ASN HA H 360 4.575 4.575 4.457 0.118 17685 4129 1 9 . 1 1 35 35 ASN C C 360 175.723 175.723 176.448 -0.725 17685 4130 1 9 . 1 1 35 35 ASN CA C 360 54.215 54.215 56.291 -2.076 17685 4131 1 9 . 1 1 35 35 ASN CB C 360 38.575 38.575 38.364 0.211 17685 4132 1 9 . 1 1 35 35 ASN H H 360 8.454 8.454 7.866 0.588 17685 4133 1 9 . 1 1 36 36 SER N N 361 115.734 115.734 116.002 -0.268 17685 4134 1 9 . 1 1 36 36 SER HA H 361 3.995 3.995 4.222 -0.227 17685 4135 1 9 . 1 1 36 36 SER C C 361 176.129 176.129 175.951 0.178 17685 4136 1 9 . 1 1 36 36 SER CA C 361 62.349 62.349 61.739 0.610 17685 4137 1 9 . 1 1 36 36 SER CB C 361 63.664 63.664 63.006 0.658 17685 4138 1 9 . 1 1 36 36 SER H H 361 7.617 7.617 7.759 -0.142 17685 4139 1 9 . 1 1 37 37 ALA N N 362 124.421 124.421 123.687 0.734 17685 4140 1 9 . 1 1 37 37 ALA HA H 362 3.770 3.770 3.824 -0.054 17685 4141 1 9 . 1 1 37 37 ALA C C 362 178.482 178.482 178.085 0.397 17685 4142 1 9 . 1 1 37 37 ALA CA C 362 54.821 54.821 54.023 0.798 17685 4143 1 9 . 1 1 37 37 ALA CB C 362 18.347 18.347 17.912 0.435 17685 4144 1 9 . 1 1 37 37 ALA H H 362 6.868 6.868 7.715 -0.847 17685 4145 1 9 . 1 1 38 38 LYS N N 363 122.319 122.319 117.743 4.576 17685 4146 1 9 . 1 1 38 38 LYS HA H 363 2.913 2.913 4.165 -1.252 17685 4147 1 9 . 1 1 38 38 LYS C C 363 180.669 180.669 180.022 0.647 17685 4148 1 9 . 1 1 38 38 LYS CA C 363 59.567 59.567 59.218 0.349 17685 4149 1 9 . 1 1 38 38 LYS CB C 363 31.563 31.563 32.283 -0.720 17685 4150 1 9 . 1 1 38 38 LYS H H 363 8.317 8.317 7.387 0.930 17685 4151 1 9 . 1 1 39 39 GLU N N 364 118.666 118.666 119.056 -0.390 17685 4152 1 9 . 1 1 39 39 GLU HA H 364 4.015 4.015 4.159 -0.144 17685 4153 1 9 . 1 1 39 39 GLU C C 364 176.609 176.609 178.065 -1.456 17685 4154 1 9 . 1 1 39 39 GLU CA C 364 58.674 58.674 58.721 -0.047 17685 4155 1 9 . 1 1 39 39 GLU CB C 364 29.058 29.058 29.525 -0.467 17685 4156 1 9 . 1 1 39 39 GLU H H 364 7.935 7.935 7.939 -0.004 17685 4157 1 9 . 1 1 40 40 ALA N N 365 121.145 121.145 119.379 1.766 17685 4158 1 9 . 1 1 40 40 ALA HA H 365 4.663 4.663 4.544 0.119 17685 4159 1 9 . 1 1 40 40 ALA C C 365 177.688 177.688 175.837 1.851 17685 4160 1 9 . 1 1 40 40 ALA CA C 365 50.931 50.931 50.952 -0.021 17685 4161 1 9 . 1 1 40 40 ALA CB C 365 18.566 18.566 20.149 -1.583 17685 4162 1 9 . 1 1 40 40 ALA H H 365 7.049 7.049 7.944 -0.895 17685 4163 1 9 . 1 1 41 41 ASP N N 366 121.103 121.103 116.864 4.239 17685 4164 1 9 . 1 1 41 41 ASP HA H 366 4.338 4.338 4.254 0.084 17685 4165 1 9 . 1 1 41 41 ASP C C 366 175.644 175.644 174.784 0.860 17685 4166 1 9 . 1 1 41 41 ASP CA C 366 55.898 55.898 54.577 1.321 17685 4167 1 9 . 1 1 41 41 ASP CB C 366 39.353 39.353 40.937 -1.584 17685 4168 1 9 . 1 1 41 41 ASP H H 366 8.099 8.099 7.254 0.845 17685 4169 1 9 . 1 1 42 42 TYR N N 367 110.700 110.700 120.026 -9.326 17685 4170 1 9 . 1 1 42 42 TYR HA H 367 2.485 2.485 3.982 -1.497 17685 4171 1 9 . 1 1 42 42 TYR C C 367 174.307 174.307 175.271 -0.964 17685 4172 1 9 . 1 1 42 42 TYR CA C 367 61.064 61.064 57.778 3.286 17685 4173 1 9 . 1 1 42 42 TYR CB C 367 34.242 34.242 37.970 -3.728 17685 4174 1 9 . 1 1 42 42 TYR H H 367 8.364 8.364 8.732 -0.368 17685 4175 1 9 . 1 1 43 43 PHE N N 368 111.305 111.305 114.604 -3.299 17685 4176 1 9 . 1 1 43 43 PHE HA H 368 4.666 4.666 4.219 0.447 17685 4177 1 9 . 1 1 43 43 PHE C C 368 177.162 177.162 176.147 1.015 17685 4178 1 9 . 1 1 43 43 PHE CA C 368 56.561 56.561 58.710 -2.149 17685 4179 1 9 . 1 1 43 43 PHE CB C 368 36.514 36.514 35.977 0.537 17685 4180 1 9 . 1 1 43 43 PHE H H 368 7.666 7.666 7.334 0.332 17685 4181 1 9 . 1 1 44 44 GLY N N 369 106.300 106.300 105.345 0.955 17685 4182 1 9 . 1 1 44 44 GLY C C 369 174.446 174.446 174.130 0.316 17685 4183 1 9 . 1 1 44 44 GLY CA C 369 45.780 45.780 45.117 0.663 17685 4184 1 9 . 1 1 44 44 GLY H H 369 7.671 7.671 8.658 -0.987 17685 4185 1 9 . 1 1 45 45 ASP N N 370 122.876 122.876 120.731 2.145 17685 4186 1 9 . 1 1 45 45 ASP HA H 370 5.323 5.323 4.914 0.409 17685 4187 1 9 . 1 1 45 45 ASP C C 370 176.360 176.360 176.180 0.180 17685 4188 1 9 . 1 1 45 45 ASP CA C 370 53.322 53.322 53.902 -0.580 17685 4189 1 9 . 1 1 45 45 ASP CB C 370 41.391 41.391 41.657 -0.267 17685 4190 1 9 . 1 1 45 45 ASP H H 370 8.331 8.331 7.919 0.412 17685 4191 1 9 . 1 1 46 46 ALA N N 371 121.771 121.771 123.352 -1.581 17685 4192 1 9 . 1 1 46 46 ALA HA H 371 3.600 3.600 3.841 -0.241 17685 4193 1 9 . 1 1 46 46 ALA C C 371 179.111 179.111 178.784 0.327 17685 4194 1 9 . 1 1 46 46 ALA CA C 371 56.038 56.038 54.574 1.464 17685 4195 1 9 . 1 1 46 46 ALA CB C 371 17.942 17.942 18.442 -0.500 17685 4196 1 9 . 1 1 46 46 ALA H H 371 8.282 8.282 8.350 -0.068 17685 4197 1 9 . 1 1 47 47 ASP N N 372 116.273 116.273 117.501 -1.228 17685 4198 1 9 . 1 1 47 47 ASP HA H 372 4.359 4.359 4.436 -0.077 17685 4199 1 9 . 1 1 47 47 ASP C C 372 177.019 177.019 177.188 -0.169 17685 4200 1 9 . 1 1 47 47 ASP CA C 372 55.832 55.832 56.424 -0.592 17685 4201 1 9 . 1 1 47 47 ASP CB C 372 39.190 39.190 40.646 -1.456 17685 4202 1 9 . 1 1 47 47 ASP H H 372 9.068 9.068 8.612 0.456 17685 4203 1 9 . 1 1 48 48 LYS N N 373 120.180 120.180 117.466 2.714 17685 4204 1 9 . 1 1 48 48 LYS HA H 373 4.723 4.723 4.633 0.090 17685 4205 1 9 . 1 1 48 48 LYS C C 373 175.542 175.542 176.005 -0.463 17685 4206 1 9 . 1 1 48 48 LYS CA C 373 54.787 54.787 54.601 0.186 17685 4207 1 9 . 1 1 48 48 LYS CB C 373 32.179 32.179 31.057 1.122 17685 4208 1 9 . 1 1 48 48 LYS H H 373 8.050 8.050 7.658 0.392 17685 4209 1 9 . 1 1 49 49 ALA N N 374 122.498 122.498 124.023 -1.525 17685 4210 1 9 . 1 1 49 49 ALA HA H 374 3.068 3.068 4.122 -1.054 17685 4211 1 9 . 1 1 49 49 ALA C C 374 177.781 177.781 178.931 -1.150 17685 4212 1 9 . 1 1 49 49 ALA CA C 374 56.962 56.962 56.163 0.799 17685 4213 1 9 . 1 1 49 49 ALA CB C 374 17.855 17.855 18.159 -0.304 17685 4214 1 9 . 1 1 49 49 ALA H H 374 7.045 7.045 7.401 -0.356 17685 4215 1 9 . 1 1 50 50 THR N N 375 108.573 108.573 112.856 -4.283 17685 4216 1 9 . 1 1 50 50 THR HA H 375 4.044 4.044 4.030 0.014 17685 4217 1 9 . 1 1 50 50 THR C C 375 177.647 177.647 176.621 1.026 17685 4218 1 9 . 1 1 50 50 THR CA C 375 66.201 66.201 67.716 -1.514 17685 4219 1 9 . 1 1 50 50 THR CB C 375 68.334 68.334 68.079 0.255 17685 4220 1 9 . 1 1 50 50 THR H H 375 8.285 8.285 8.358 -0.073 17685 4221 1 9 . 1 1 51 51 THR N N 376 120.018 120.018 119.630 0.388 17685 4222 1 9 . 1 1 51 51 THR HA H 376 4.147 4.147 4.067 0.080 17685 4223 1 9 . 1 1 51 51 THR C C 376 175.499 175.499 176.515 -1.016 17685 4224 1 9 . 1 1 51 51 THR CA C 376 66.145 66.145 66.824 -0.679 17685 4225 1 9 . 1 1 51 51 THR CB C 376 69.382 69.382 68.391 0.991 17685 4226 1 9 . 1 1 51 51 THR H H 376 7.359 7.359 7.406 -0.047 17685 4227 1 9 . 1 1 52 52 ILE N N 377 122.319 122.319 122.687 -0.368 17685 4228 1 9 . 1 1 52 52 ILE HA H 377 3.168 3.168 3.543 -0.375 17685 4229 1 9 . 1 1 52 52 ILE C C 377 177.879 177.879 177.515 0.364 17685 4230 1 9 . 1 1 52 52 ILE CA C 377 67.070 67.070 65.883 1.187 17685 4231 1 9 . 1 1 52 52 ILE CB C 377 38.257 38.257 37.506 0.751 17685 4232 1 9 . 1 1 52 52 ILE H H 377 8.346 8.346 8.516 -0.170 17685 4233 1 9 . 1 1 53 53 ASP N N 378 117.696 117.696 120.030 -2.334 17685 4234 1 9 . 1 1 53 53 ASP HA H 378 4.739 4.739 4.360 0.379 17685 4235 1 9 . 1 1 53 53 ASP C C 378 180.094 180.094 179.215 0.879 17685 4236 1 9 . 1 1 53 53 ASP CA C 378 58.044 58.044 58.194 -0.150 17685 4237 1 9 . 1 1 53 53 ASP CB C 378 39.648 39.648 40.436 -0.788 17685 4238 1 9 . 1 1 53 53 ASP H H 378 8.991 8.991 8.540 0.451 17685 4239 1 9 . 1 1 54 54 GLU N N 379 121.956 121.956 120.397 1.559 17685 4240 1 9 . 1 1 54 54 GLU HA H 379 4.174 4.174 4.016 0.158 17685 4241 1 9 . 1 1 54 54 GLU C C 379 179.679 179.679 179.227 0.452 17685 4242 1 9 . 1 1 54 54 GLU CA C 379 59.572 59.572 59.436 0.136 17685 4243 1 9 . 1 1 54 54 GLU CB C 379 29.324 29.324 29.585 -0.261 17685 4244 1 9 . 1 1 54 54 GLU H H 379 7.946 7.946 8.257 -0.311 17685 4245 1 9 . 1 1 55 55 GLN N N 380 120.733 120.733 119.384 1.349 17685 4246 1 9 . 1 1 55 55 GLN HA H 380 4.171 4.171 4.127 0.044 17685 4247 1 9 . 1 1 55 55 GLN C C 380 178.288 178.288 178.774 -0.486 17685 4248 1 9 . 1 1 55 55 GLN CA C 380 59.994 59.994 59.060 0.934 17685 4249 1 9 . 1 1 55 55 GLN CB C 380 29.566 29.566 29.271 0.295 17685 4250 1 9 . 1 1 55 55 GLN H H 380 8.357 8.357 8.141 0.216 17685 4251 1 9 . 1 1 56 56 VAL N N 381 120.353 120.353 119.642 0.711 17685 4252 1 9 . 1 1 56 56 VAL HA H 381 3.536 3.536 3.497 0.039 17685 4253 1 9 . 1 1 56 56 VAL C C 381 178.220 178.220 178.259 -0.039 17685 4254 1 9 . 1 1 56 56 VAL CA C 381 67.557 67.557 66.603 0.954 17685 4255 1 9 . 1 1 56 56 VAL CB C 381 31.349 31.349 30.715 0.634 17685 4256 1 9 . 1 1 56 56 VAL H H 381 9.484 9.484 8.680 0.804 17685 4257 1 9 . 1 1 57 57 GLY N N 382 106.926 106.926 107.680 -0.754 17685 4258 1 9 . 1 1 57 57 GLY C C 382 174.843 174.843 176.314 -1.471 17685 4259 1 9 . 1 1 57 57 GLY CA C 382 47.694 47.694 47.230 0.464 17685 4260 1 9 . 1 1 57 57 GLY H H 382 8.169 8.169 8.342 -0.173 17685 4261 1 9 . 1 1 58 58 LEU N N 383 120.610 120.610 122.675 -2.065 17685 4262 1 9 . 1 1 58 58 LEU HA H 383 4.151 4.151 3.998 0.153 17685 4263 1 9 . 1 1 58 58 LEU C C 383 180.087 180.087 178.955 1.132 17685 4264 1 9 . 1 1 58 58 LEU CA C 383 57.974 57.974 57.586 0.388 17685 4265 1 9 . 1 1 58 58 LEU CB C 383 42.125 42.125 41.722 0.403 17685 4266 1 9 . 1 1 58 58 LEU H H 383 7.568 7.568 7.841 -0.273 17685 4267 1 9 . 1 1 59 59 ILE N N 384 120.213 120.213 119.620 0.593 17685 4268 1 9 . 1 1 59 59 ILE HA H 384 3.416 3.416 3.567 -0.151 17685 4269 1 9 . 1 1 59 59 ILE C C 384 178.310 178.310 178.091 0.219 17685 4270 1 9 . 1 1 59 59 ILE CA C 384 66.069 66.069 65.652 0.417 17685 4271 1 9 . 1 1 59 59 ILE CB C 384 38.233 38.233 37.732 0.501 17685 4272 1 9 . 1 1 59 59 ILE H H 384 8.057 8.057 8.035 0.022 17685 4273 1 9 . 1 1 60 60 VAL N N 385 115.546 115.546 114.655 0.891 17685 4274 1 9 . 1 1 60 60 VAL HA H 385 3.560 3.560 3.611 -0.051 17685 4275 1 9 . 1 1 60 60 VAL C C 385 177.921 177.921 176.747 1.174 17685 4276 1 9 . 1 1 60 60 VAL CA C 385 66.702 66.702 65.408 1.294 17685 4277 1 9 . 1 1 60 60 VAL CB C 385 31.565 31.565 31.746 -0.181 17685 4278 1 9 . 1 1 60 60 VAL H H 385 8.672 8.672 8.014 0.658 17685 4279 1 9 . 1 1 61 61 ASP N N 386 117.831 117.831 118.640 -0.809 17685 4280 1 9 . 1 1 61 61 ASP HA H 386 4.571 4.571 4.502 0.069 17685 4281 1 9 . 1 1 61 61 ASP C C 386 177.238 177.238 177.717 -0.479 17685 4282 1 9 . 1 1 61 61 ASP CA C 386 56.184 56.184 56.311 -0.127 17685 4283 1 9 . 1 1 61 61 ASP CB C 386 40.632 40.632 41.473 -0.841 17685 4284 1 9 . 1 1 61 61 ASP H H 386 7.988 7.988 8.096 -0.108 17685 4285 1 9 . 1 1 62 62 SER N N 387 114.761 114.761 114.220 0.541 17685 4286 1 9 . 1 1 62 62 SER HA H 387 4.577 4.577 4.463 0.114 17685 4287 1 9 . 1 1 62 62 SER C C 387 173.645 173.645 174.102 -0.457 17685 4288 1 9 . 1 1 62 62 SER CA C 387 59.694 59.694 60.334 -0.640 17685 4289 1 9 . 1 1 62 62 SER CB C 387 64.588 64.588 63.898 0.690 17685 4290 1 9 . 1 1 62 62 SER H H 387 7.755 7.755 7.684 0.071 17685 4291 1 9 . 1 1 63 63 LEU N N 388 121.610 121.610 120.854 0.756 17685 4292 1 9 . 1 1 63 63 LEU HA H 388 4.506 4.506 4.264 0.242 17685 4293 1 9 . 1 1 63 63 LEU C C 388 177.071 177.071 174.894 2.177 17685 4294 1 9 . 1 1 63 63 LEU CA C 388 54.490 54.490 54.178 0.312 17685 4295 1 9 . 1 1 63 63 LEU CB C 388 42.414 42.414 42.964 -0.550 17685 4296 1 9 . 1 1 63 63 LEU H H 388 7.083 7.083 7.290 -0.207 17685 4297 1 9 . 1 1 64 64 ASN N N 389 122.154 122.154 115.589 6.565 17685 4298 1 9 . 1 1 64 64 ASN HA H 389 4.748 4.748 4.879 -0.131 17685 4299 1 9 . 1 1 64 64 ASN C C 389 175.144 175.144 175.565 -0.421 17685 4300 1 9 . 1 1 64 64 ASN CA C 389 51.898 51.898 51.574 0.324 17685 4301 1 9 . 1 1 64 64 ASN CB C 389 37.762 37.762 40.403 -2.641 17685 4302 1 9 . 1 1 64 64 ASN H H 389 9.587 9.587 8.071 1.516 17685 4303 1 9 . 1 1 65 65 ASP N N 390 116.882 116.882 119.144 -2.262 17685 4304 1 9 . 1 1 65 65 ASP HA H 390 4.288 4.288 4.249 0.039 17685 4305 1 9 . 1 1 65 65 ASP C C 390 178.601 178.601 177.653 0.948 17685 4306 1 9 . 1 1 65 65 ASP CA C 390 58.992 58.992 57.578 1.415 17685 4307 1 9 . 1 1 65 65 ASP CB C 390 40.168 40.168 40.408 -0.240 17685 4308 1 9 . 1 1 65 65 ASP H H 390 8.504 8.504 8.862 -0.358 17685 4309 1 9 . 1 1 66 66 GLU N N 391 119.807 119.807 119.088 0.719 17685 4310 1 9 . 1 1 66 66 GLU HA H 391 4.048 4.048 4.117 -0.069 17685 4311 1 9 . 1 1 66 66 GLU C C 391 179.549 179.549 179.118 0.431 17685 4312 1 9 . 1 1 66 66 GLU CA C 391 59.943 59.943 59.051 0.892 17685 4313 1 9 . 1 1 66 66 GLU CB C 391 29.119 29.119 29.434 -0.315 17685 4314 1 9 . 1 1 66 66 GLU H H 391 8.318 8.318 8.657 -0.339 17685 4315 1 9 . 1 1 67 67 GLU N N 392 121.747 121.747 119.674 2.073 17685 4316 1 9 . 1 1 67 67 GLU HA H 392 4.151 4.151 4.182 -0.031 17685 4317 1 9 . 1 1 67 67 GLU C C 392 180.544 180.544 178.979 1.565 17685 4318 1 9 . 1 1 67 67 GLU CA C 392 58.307 58.307 58.178 0.129 17685 4319 1 9 . 1 1 67 67 GLU CB C 392 30.933 30.933 29.218 1.715 17685 4320 1 9 . 1 1 67 67 GLU H H 392 8.709 8.709 7.832 0.877 17685 4321 1 9 . 1 1 68 68 LEU N N 393 123.523 123.523 121.329 2.194 17685 4322 1 9 . 1 1 68 68 LEU HA H 393 3.923 3.923 4.080 -0.157 17685 4323 1 9 . 1 1 68 68 LEU C C 393 178.151 178.151 179.497 -1.346 17685 4324 1 9 . 1 1 68 68 LEU CA C 393 58.642 58.642 57.958 0.684 17685 4325 1 9 . 1 1 68 68 LEU CB C 393 42.304 42.304 41.592 0.712 17685 4326 1 9 . 1 1 68 68 LEU H H 393 8.930 8.930 8.304 0.626 17685 4327 1 9 . 1 1 69 69 VAL N N 394 118.071 118.071 118.391 -0.320 17685 4328 1 9 . 1 1 69 69 VAL HA H 394 3.527 3.527 3.652 -0.125 17685 4329 1 9 . 1 1 69 69 VAL C C 394 177.701 177.701 177.483 0.218 17685 4330 1 9 . 1 1 69 69 VAL CA C 394 66.494 66.494 65.319 1.176 17685 4331 1 9 . 1 1 69 69 VAL CB C 394 32.103 32.103 30.881 1.222 17685 4332 1 9 . 1 1 69 69 VAL H H 394 7.304 7.304 7.816 -0.512 17685 4333 1 9 . 1 1 70 70 SER N N 395 112.686 112.686 115.182 -2.496 17685 4334 1 9 . 1 1 70 70 SER HA H 395 4.238 4.238 4.165 0.073 17685 4335 1 9 . 1 1 70 70 SER C C 395 177.618 177.618 176.708 0.910 17685 4336 1 9 . 1 1 70 70 SER CA C 395 61.410 61.410 62.120 -0.710 17685 4337 1 9 . 1 1 70 70 SER CB C 395 63.002 63.002 62.868 0.134 17685 4338 1 9 . 1 1 70 70 SER H H 395 7.906 7.906 7.652 0.254 17685 4339 1 9 . 1 1 71 71 THR N N 396 118.003 118.003 115.038 2.965 17685 4340 1 9 . 1 1 71 71 THR HA H 396 3.767 3.767 3.992 -0.225 17685 4341 1 9 . 1 1 71 71 THR C C 396 175.404 175.404 176.462 -1.058 17685 4342 1 9 . 1 1 71 71 THR CA C 396 67.763 67.763 65.274 2.489 17685 4343 1 9 . 1 1 71 71 THR CB C 396 68.498 68.498 68.754 -0.257 17685 4344 1 9 . 1 1 71 71 THR H H 396 8.511 8.511 8.246 0.265 17685 4345 1 9 . 1 1 72 72 ALA N N 397 123.373 123.373 124.648 -1.275 17685 4346 1 9 . 1 1 72 72 ALA HA H 397 3.857 3.857 3.890 -0.033 17685 4347 1 9 . 1 1 72 72 ALA C C 397 180.173 180.173 179.011 1.162 17685 4348 1 9 . 1 1 72 72 ALA CA C 397 56.079 56.079 55.163 0.916 17685 4349 1 9 . 1 1 72 72 ALA CB C 397 17.767 17.767 18.238 -0.471 17685 4350 1 9 . 1 1 72 72 ALA H H 397 8.268 8.268 8.064 0.204 17685 4351 1 9 . 1 1 73 73 ASP N N 398 118.963 118.963 118.072 0.891 17685 4352 1 9 . 1 1 73 73 ASP HA H 398 4.382 4.382 4.310 0.072 17685 4353 1 9 . 1 1 73 73 ASP C C 398 179.471 179.471 178.640 0.831 17685 4354 1 9 . 1 1 73 73 ASP CA C 398 57.692 57.692 57.399 0.293 17685 4355 1 9 . 1 1 73 73 ASP CB C 398 40.015 40.015 40.864 -0.849 17685 4356 1 9 . 1 1 73 73 ASP H H 398 8.585 8.585 8.405 0.180 17685 4357 1 9 . 1 1 74 74 LYS N N 399 120.591 120.591 118.592 1.999 17685 4358 1 9 . 1 1 74 74 LYS HA H 399 4.050 4.050 4.096 -0.046 17685 4359 1 9 . 1 1 74 74 LYS C C 399 180.082 180.082 179.007 1.075 17685 4360 1 9 . 1 1 74 74 LYS CA C 399 60.001 60.001 58.816 1.185 17685 4361 1 9 . 1 1 74 74 LYS CB C 399 34.080 34.080 32.000 2.080 17685 4362 1 9 . 1 1 74 74 LYS H H 399 8.003 8.003 7.567 0.436 17685 4363 1 9 . 1 1 75 75 ILE N N 400 120.602 120.602 118.698 1.904 17685 4364 1 9 . 1 1 75 75 ILE HA H 400 3.687 3.687 4.012 -0.325 17685 4365 1 9 . 1 1 75 75 ILE C C 400 177.770 177.770 178.323 -0.553 17685 4366 1 9 . 1 1 75 75 ILE CA C 400 64.860 64.860 64.499 0.361 17685 4367 1 9 . 1 1 75 75 ILE CB C 400 38.253 38.253 37.682 0.571 17685 4368 1 9 . 1 1 75 75 ILE H H 400 7.877 7.877 7.200 0.677 17685 4369 1 9 . 1 1 76 76 LYS N N 401 120.036 120.036 119.108 0.928 17685 4370 1 9 . 1 1 76 76 LYS HA H 401 4.032 4.032 4.085 -0.053 17685 4371 1 9 . 1 1 76 76 LYS C C 401 178.423 178.423 178.666 -0.243 17685 4372 1 9 . 1 1 76 76 LYS CA C 401 58.735 58.735 58.734 0.001 17685 4373 1 9 . 1 1 76 76 LYS CB C 401 32.325 32.325 31.732 0.593 17685 4374 1 9 . 1 1 76 76 LYS H H 401 8.260 8.260 7.763 0.497 17685 4375 1 9 . 1 1 77 77 ALA N N 402 118.655 118.655 120.381 -1.726 17685 4376 1 9 . 1 1 77 77 ALA HA H 402 4.205 4.205 4.240 -0.035 17685 4377 1 9 . 1 1 77 77 ALA C C 402 177.949 177.949 178.296 -0.347 17685 4378 1 9 . 1 1 77 77 ALA CA C 402 53.673 53.673 53.792 -0.119 17685 4379 1 9 . 1 1 77 77 ALA CB C 402 19.018 19.018 19.393 -0.375 17685 4380 1 9 . 1 1 77 77 ALA H H 402 7.564 7.564 7.461 0.103 17685 4381 1 9 . 1 1 78 78 ASN N N 403 113.964 113.964 117.095 -3.131 17685 4382 1 9 . 1 1 78 78 ASN HA H 403 4.841 4.841 4.847 -0.006 17685 4383 1 9 . 1 1 78 78 ASN C C 403 174.866 174.866 175.127 -0.261 17685 4384 1 9 . 1 1 78 78 ASN CA C 403 52.485 52.485 52.578 -0.093 17685 4385 1 9 . 1 1 78 78 ASN CB C 403 37.659 37.659 39.116 -1.457 17685 4386 1 9 . 1 1 78 78 ASN H H 403 7.397 7.397 7.951 -0.554 17685 4387 1 9 . 1 1 79 79 ALA N N 404 131.057 131.057 127.142 3.915 17685 4388 1 9 . 1 1 79 79 ALA HA H 404 4.160 4.160 4.318 -0.158 17685 4389 1 9 . 1 1 79 79 ALA C C 404 180.575 180.575 178.563 2.012 17685 4390 1 9 . 1 1 79 79 ALA CA C 404 56.271 56.271 54.578 1.693 17685 4391 1 9 . 1 1 79 79 ALA CB C 404 18.357 18.357 18.943 -0.586 17685 4392 1 9 . 1 1 79 79 ALA H H 404 9.143 9.143 8.665 0.478 17685 4393 1 9 . 1 1 80 80 ALA N N 405 117.862 117.862 119.112 -1.250 17685 4394 1 9 . 1 1 80 80 ALA HA H 405 4.362 4.362 4.226 0.136 17685 4395 1 9 . 1 1 80 80 ALA C C 405 179.218 179.218 177.964 1.254 17685 4396 1 9 . 1 1 80 80 ALA CA C 405 53.931 53.931 53.189 0.742 17685 4397 1 9 . 1 1 80 80 ALA CB C 405 18.226 18.226 18.864 -0.638 17685 4398 1 9 . 1 1 80 80 ALA H H 405 8.315 8.315 8.265 0.050 17685 4399 1 9 . 1 1 81 81 GLY N N 406 106.895 106.895 105.607 1.288 17685 4400 1 9 . 1 1 81 81 GLY C C 406 175.175 175.175 174.297 0.878 17685 4401 1 9 . 1 1 81 81 GLY CA C 406 45.363 45.363 44.038 1.325 17685 4402 1 9 . 1 1 81 81 GLY H H 406 7.908 7.908 7.531 0.377 17685 4403 1 9 . 1 1 82 82 ALA N N 407 120.775 120.775 124.548 -3.773 17685 4404 1 9 . 1 1 82 82 ALA HA H 407 3.971 3.971 4.057 -0.086 17685 4405 1 9 . 1 1 82 82 ALA C C 407 177.879 177.879 178.672 -0.793 17685 4406 1 9 . 1 1 82 82 ALA CA C 407 56.076 56.076 55.708 0.368 17685 4407 1 9 . 1 1 82 82 ALA CB C 407 19.120 19.120 19.018 0.102 17685 4408 1 9 . 1 1 82 82 ALA H H 407 7.574 7.574 7.760 -0.186 17685 4409 1 9 . 1 1 83 83 LYS N N 408 117.628 117.628 118.360 -0.732 17685 4410 1 9 . 1 1 83 83 LYS HA H 408 3.352 3.352 4.022 -0.670 17685 4411 1 9 . 1 1 83 83 LYS C C 408 178.064 178.064 178.021 0.043 17685 4412 1 9 . 1 1 83 83 LYS CA C 408 61.404 61.404 59.749 1.655 17685 4413 1 9 . 1 1 83 83 LYS CB C 408 31.311 31.311 31.691 -0.379 17685 4414 1 9 . 1 1 83 83 LYS H H 408 8.755 8.755 8.313 0.442 17685 4415 1 9 . 1 1 84 84 GLU N N 409 116.005 116.005 118.564 -2.559 17685 4416 1 9 . 1 1 84 84 GLU HA H 409 3.994 3.994 4.060 -0.066 17685 4417 1 9 . 1 1 84 84 GLU C C 409 179.508 179.508 178.638 0.870 17685 4418 1 9 . 1 1 84 84 GLU CA C 409 59.300 59.300 59.002 0.298 17685 4419 1 9 . 1 1 84 84 GLU CB C 409 28.978 28.978 28.769 0.209 17685 4420 1 9 . 1 1 84 84 GLU H H 409 7.708 7.708 8.134 -0.426 17685 4421 1 9 . 1 1 85 85 VAL N N 410 120.216 120.216 120.399 -0.183 17685 4422 1 9 . 1 1 85 85 VAL HA H 410 3.786 3.786 3.731 0.055 17685 4423 1 9 . 1 1 85 85 VAL C C 410 179.087 179.087 177.977 1.110 17685 4424 1 9 . 1 1 85 85 VAL CA C 410 66.066 66.066 66.703 -0.636 17685 4425 1 9 . 1 1 85 85 VAL CB C 410 32.060 32.060 31.619 0.441 17685 4426 1 9 . 1 1 85 85 VAL H H 410 7.494 7.494 7.768 -0.274 17685 4427 1 9 . 1 1 86 86 LEU N N 411 121.293 121.293 120.839 0.454 17685 4428 1 9 . 1 1 86 86 LEU HA H 411 3.871 3.871 3.992 -0.121 17685 4429 1 9 . 1 1 86 86 LEU C C 411 178.844 178.844 179.487 -0.643 17685 4430 1 9 . 1 1 86 86 LEU CA C 411 58.100 58.100 57.412 0.688 17685 4431 1 9 . 1 1 86 86 LEU CB C 411 42.047 42.047 40.925 1.122 17685 4432 1 9 . 1 1 86 86 LEU H H 411 8.371 8.371 7.705 0.666 17685 4433 1 9 . 1 1 87 87 LYS N N 412 119.536 119.536 118.329 1.207 17685 4434 1 9 . 1 1 87 87 LYS HA H 412 4.206 4.206 4.061 0.145 17685 4435 1 9 . 1 1 87 87 LYS C C 412 179.347 179.347 178.907 0.440 17685 4436 1 9 . 1 1 87 87 LYS CA C 412 60.924 60.924 60.271 0.653 17685 4437 1 9 . 1 1 87 87 LYS CB C 412 32.216 32.216 32.083 0.133 17685 4438 1 9 . 1 1 87 87 LYS H H 412 8.818 8.818 8.635 0.183 17685 4439 1 9 . 1 1 88 88 GLU N N 413 120.780 120.780 119.150 1.630 17685 4440 1 9 . 1 1 88 88 GLU HA H 413 4.127 4.127 4.186 -0.059 17685 4441 1 9 . 1 1 88 88 GLU C C 413 179.469 179.469 178.873 0.596 17685 4442 1 9 . 1 1 88 88 GLU CA C 413 59.720 59.720 59.317 0.403 17685 4443 1 9 . 1 1 88 88 GLU CB C 413 29.021 29.021 29.062 -0.041 17685 4444 1 9 . 1 1 88 88 GLU H H 413 7.882 7.882 7.529 0.353 17685 4445 1 9 . 1 1 89 89 SER N N 414 116.823 116.823 116.813 0.010 17685 4446 1 9 . 1 1 89 89 SER HA H 414 3.765 3.765 4.309 -0.544 17685 4447 1 9 . 1 1 89 89 SER C C 414 176.091 176.091 176.928 -0.837 17685 4448 1 9 . 1 1 89 89 SER CA C 414 63.550 63.550 61.048 2.502 17685 4449 1 9 . 1 1 89 89 SER CB C 414 63.718 63.718 62.612 1.106 17685 4450 1 9 . 1 1 89 89 SER H H 414 8.296 8.296 8.088 0.208 17685 4451 1 9 . 1 1 90 90 ALA N N 415 123.230 123.230 126.216 -2.986 17685 4452 1 9 . 1 1 90 90 ALA HA H 415 3.831 3.831 3.871 -0.040 17685 4453 1 9 . 1 1 90 90 ALA C C 415 177.963 177.963 179.131 -1.168 17685 4454 1 9 . 1 1 90 90 ALA CA C 415 55.415 55.415 55.300 0.115 17685 4455 1 9 . 1 1 90 90 ALA CB C 415 19.432 19.432 18.370 1.062 17685 4456 1 9 . 1 1 90 90 ALA H H 415 8.805 8.805 8.412 0.393 17685 4457 1 9 . 1 1 91 91 LYS N N 416 117.753 117.753 117.838 -0.085 17685 4458 1 9 . 1 1 91 91 LYS HA H 416 3.972 3.972 4.032 -0.060 17685 4459 1 9 . 1 1 91 91 LYS C C 416 178.198 178.198 179.424 -1.226 17685 4460 1 9 . 1 1 91 91 LYS CA C 416 59.817 59.817 59.035 0.782 17685 4461 1 9 . 1 1 91 91 LYS CB C 416 32.247 32.247 31.895 0.353 17685 4462 1 9 . 1 1 91 91 LYS H H 416 8.085 8.085 8.039 0.046 17685 4463 1 9 . 1 1 92 92 THR N N 417 114.597 114.597 113.295 1.302 17685 4464 1 9 . 1 1 92 92 THR HA H 417 4.075 4.075 4.145 -0.070 17685 4465 1 9 . 1 1 92 92 THR C C 417 177.541 177.541 176.830 0.711 17685 4466 1 9 . 1 1 92 92 THR CA C 417 66.473 66.473 65.752 0.720 17685 4467 1 9 . 1 1 92 92 THR CB C 417 69.070 69.070 68.183 0.887 17685 4468 1 9 . 1 1 92 92 THR H H 417 7.923 7.923 7.940 -0.017 17685 4469 1 9 . 1 1 93 93 ILE N N 418 124.160 124.160 122.938 1.222 17685 4470 1 9 . 1 1 93 93 ILE HA H 418 3.662 3.662 3.723 -0.061 17685 4471 1 9 . 1 1 93 93 ILE C C 418 178.114 178.114 177.434 0.680 17685 4472 1 9 . 1 1 93 93 ILE CA C 418 65.626 65.626 65.376 0.250 17685 4473 1 9 . 1 1 93 93 ILE CB C 418 38.297 38.297 37.724 0.573 17685 4474 1 9 . 1 1 93 93 ILE H H 418 7.984 7.984 7.634 0.350 17685 4475 1 9 . 1 1 94 94 VAL N N 419 121.566 121.566 120.567 0.999 17685 4476 1 9 . 1 1 94 94 VAL HA H 419 4.156 4.156 4.018 0.138 17685 4477 1 9 . 1 1 94 94 VAL C C 419 181.424 181.424 178.609 2.815 17685 4478 1 9 . 1 1 94 94 VAL CA C 419 65.808 65.808 65.354 0.454 17685 4479 1 9 . 1 1 94 94 VAL CB C 419 31.892 31.892 31.205 0.687 17685 4480 1 9 . 1 1 94 94 VAL H H 419 8.551 8.551 8.076 0.475 17685 4481 1 9 . 1 1 95 95 ASP N N 420 123.788 123.788 119.925 3.863 17685 4482 1 9 . 1 1 95 95 ASP HA H 420 4.477 4.477 4.435 0.042 17685 4483 1 9 . 1 1 95 95 ASP C C 420 178.220 178.220 178.288 -0.068 17685 4484 1 9 . 1 1 95 95 ASP CA C 420 57.548 57.548 56.722 0.826 17685 4485 1 9 . 1 1 95 95 ASP CB C 420 39.850 39.850 41.065 -1.215 17685 4486 1 9 . 1 1 95 95 ASP H H 420 9.354 9.354 8.348 1.006 17685 4487 1 9 . 1 1 96 96 SER N N 421 111.960 111.960 113.565 -1.605 17685 4488 1 9 . 1 1 96 96 SER HA H 421 4.526 4.526 4.491 0.035 17685 4489 1 9 . 1 1 96 96 SER C C 421 175.345 175.345 174.999 0.346 17685 4490 1 9 . 1 1 96 96 SER CA C 421 59.433 59.433 58.863 0.570 17685 4491 1 9 . 1 1 96 96 SER CB C 421 64.264 64.264 63.855 0.409 17685 4492 1 9 . 1 1 96 96 SER H H 421 7.862 7.862 7.703 0.159 17685 4493 1 9 . 1 1 97 97 GLY N N 422 110.240 110.240 109.403 0.837 17685 4494 1 9 . 1 1 97 97 GLY C C 422 175.158 175.158 175.134 0.024 17685 4495 1 9 . 1 1 97 97 GLY CA C 422 45.606 45.606 45.667 -0.061 17685 4496 1 9 . 1 1 97 97 GLY H H 422 8.063 8.063 7.559 0.504 17685 4497 1 9 . 1 1 98 98 LYS N N 423 120.213 120.213 119.351 0.862 17685 4498 1 9 . 1 1 98 98 LYS HA H 423 4.083 4.083 4.193 -0.110 17685 4499 1 9 . 1 1 98 98 LYS C C 423 176.681 176.681 176.534 0.147 17685 4500 1 9 . 1 1 98 98 LYS CA C 423 59.417 59.417 58.115 1.302 17685 4501 1 9 . 1 1 98 98 LYS CB C 423 33.453 33.453 33.370 0.083 17685 4502 1 9 . 1 1 98 98 LYS H H 423 7.992 7.992 8.347 -0.355 17685 4503 1 9 . 1 1 99 99 LEU N N 424 114.357 114.357 119.078 -4.721 17685 4504 1 9 . 1 1 99 99 LEU HA H 424 4.848 4.848 4.872 -0.024 17685 4505 1 9 . 1 1 99 99 LEU C C 424 174.161 174.161 174.128 0.033 17685 4506 1 9 . 1 1 99 99 LEU CA C 424 52.225 52.225 51.482 0.743 17685 4507 1 9 . 1 1 99 99 LEU CB C 424 46.075 46.075 44.209 1.866 17685 4508 1 9 . 1 1 99 99 LEU H H 424 6.865 6.865 7.421 -0.556 17685 4509 1 9 . 1 1 100 100 PRO HA H 425 4.650 4.650 4.680 -0.030 17685 4510 1 9 . 1 1 100 100 PRO C C 425 177.559 177.559 178.021 -0.462 17685 4511 1 9 . 1 1 100 100 PRO CA C 425 61.643 61.643 62.735 -1.092 17685 4512 1 9 . 1 1 100 100 PRO CB C 425 32.422 32.422 32.278 0.144 17685 4513 1 9 . 1 1 101 101 SER N N 426 117.043 117.043 119.070 -2.027 17685 4514 1 9 . 1 1 101 101 SER HA H 426 3.824 3.824 4.080 -0.256 17685 4515 1 9 . 1 1 101 101 SER C C 426 177.202 177.202 176.460 0.742 17685 4516 1 9 . 1 1 101 101 SER CA C 426 61.708 61.708 61.663 0.045 17685 4517 1 9 . 1 1 101 101 SER CB C 426 62.706 62.706 62.310 0.396 17685 4518 1 9 . 1 1 101 101 SER H H 426 8.999 8.999 8.677 0.322 17685 4519 1 9 . 1 1 102 102 SER N N 427 114.761 114.761 118.648 -3.887 17685 4520 1 9 . 1 1 102 102 SER HA H 427 4.112 4.112 4.330 -0.218 17685 4521 1 9 . 1 1 102 102 SER C C 427 176.526 176.526 176.474 0.052 17685 4522 1 9 . 1 1 102 102 SER CA C 427 60.650 60.650 61.417 -0.767 17685 4523 1 9 . 1 1 102 102 SER CB C 427 62.213 62.213 62.770 -0.557 17685 4524 1 9 . 1 1 102 102 SER H H 427 8.115 8.115 8.455 -0.340 17685 4525 1 9 . 1 1 103 103 LEU N N 428 120.408 120.408 119.980 0.428 17685 4526 1 9 . 1 1 103 103 LEU HA H 428 4.435 4.435 4.336 0.099 17685 4527 1 9 . 1 1 103 103 LEU C C 428 176.698 176.698 176.042 0.656 17685 4528 1 9 . 1 1 103 103 LEU CA C 428 55.847 55.847 56.223 -0.376 17685 4529 1 9 . 1 1 103 103 LEU CB C 428 42.586 42.586 42.283 0.303 17685 4530 1 9 . 1 1 103 103 LEU H H 428 7.320 7.320 7.838 -0.518 17685 4531 1 9 . 1 1 104 104 LEU N N 429 117.860 117.860 116.116 1.744 17685 4532 1 9 . 1 1 104 104 LEU HA H 429 4.995 4.995 4.976 0.019 17685 4533 1 9 . 1 1 104 104 LEU C C 429 178.320 178.320 177.436 0.884 17685 4534 1 9 . 1 1 104 104 LEU CA C 429 52.672 52.672 53.149 -0.477 17685 4535 1 9 . 1 1 104 104 LEU CB C 429 43.039 43.039 41.030 2.009 17685 4536 1 9 . 1 1 104 104 LEU H H 429 7.325 7.325 7.728 -0.403 17685 4537 1 9 . 1 1 105 105 SER N N 430 112.664 112.664 117.185 -4.521 17685 4538 1 9 . 1 1 105 105 SER HA H 430 4.259 4.259 4.655 -0.396 17685 4539 1 9 . 1 1 105 105 SER C C 430 175.288 175.288 175.730 -0.442 17685 4540 1 9 . 1 1 105 105 SER CA C 430 61.247 61.247 60.898 0.349 17685 4541 1 9 . 1 1 105 105 SER CB C 430 64.058 64.058 62.721 1.337 17685 4542 1 9 . 1 1 105 105 SER H H 430 6.990 6.990 8.032 -1.042 17685 4543 1 9 . 1 1 106 106 TYR N N 431 125.624 125.624 121.097 4.527 17685 4544 1 9 . 1 1 106 106 TYR HA H 431 4.060 4.060 4.178 -0.118 17685 4545 1 9 . 1 1 106 106 TYR C C 431 176.064 176.064 175.178 0.886 17685 4546 1 9 . 1 1 106 106 TYR CA C 431 61.449 61.449 61.072 0.377 17685 4547 1 9 . 1 1 106 106 TYR CB C 431 38.282 38.282 38.813 -0.531 17685 4548 1 9 . 1 1 106 106 TYR H H 431 10.433 10.433 8.528 1.905 17685 4549 1 9 . 1 1 107 107 PHE N N 432 113.203 113.203 113.200 0.003 17685 4550 1 9 . 1 1 107 107 PHE HA H 432 4.314 4.314 4.589 -0.275 17685 4551 1 9 . 1 1 107 107 PHE C C 432 173.901 173.901 175.525 -1.624 17685 4552 1 9 . 1 1 107 107 PHE CA C 432 59.810 59.810 59.394 0.416 17685 4553 1 9 . 1 1 107 107 PHE CB C 432 43.249 43.249 41.127 2.122 17685 4554 1 9 . 1 1 107 107 PHE H H 432 7.955 7.955 7.988 -0.033 17685 4555 1 10 . 1 1 22 22 SER N N 347 116.741 116.741 117.298 -0.557 17685 4556 1 10 . 1 1 22 22 SER HA H 347 4.355 4.355 4.771 -0.416 17685 4557 1 10 . 1 1 22 22 SER C C 347 176.272 176.272 175.173 1.099 17685 4558 1 10 . 1 1 22 22 SER CA C 347 59.651 59.651 57.876 1.776 17685 4559 1 10 . 1 1 22 22 SER CB C 347 63.231 63.231 65.577 -2.346 17685 4560 1 10 . 1 1 22 22 SER H H 347 8.311 8.311 8.590 -0.279 17685 4561 1 10 . 1 1 23 23 LYS N N 348 124.398 124.398 124.562 -0.164 17685 4562 1 10 . 1 1 23 23 LYS HA H 348 4.142 4.142 4.214 -0.072 17685 4563 1 10 . 1 1 23 23 LYS C C 348 178.743 178.743 178.062 0.681 17685 4564 1 10 . 1 1 23 23 LYS CA C 348 59.304 59.304 58.477 0.827 17685 4565 1 10 . 1 1 23 23 LYS CB C 348 32.301 32.301 32.294 0.007 17685 4566 1 10 . 1 1 23 23 LYS H H 348 8.611 8.611 8.883 -0.272 17685 4567 1 10 . 1 1 24 24 ALA N N 349 122.494 122.494 122.354 0.140 17685 4568 1 10 . 1 1 24 24 ALA HA H 349 4.137 4.137 4.221 -0.084 17685 4569 1 10 . 1 1 24 24 ALA C C 349 179.869 179.869 179.615 0.254 17685 4570 1 10 . 1 1 24 24 ALA CA C 349 54.811 54.811 54.460 0.351 17685 4571 1 10 . 1 1 24 24 ALA CB C 349 18.284 18.284 18.142 0.142 17685 4572 1 10 . 1 1 24 24 ALA H H 349 8.245 8.245 8.286 -0.041 17685 4573 1 10 . 1 1 25 25 ALA N N 350 121.576 121.576 120.746 0.830 17685 4574 1 10 . 1 1 25 25 ALA HA H 350 4.136 4.136 4.023 0.113 17685 4575 1 10 . 1 1 25 25 ALA C C 350 178.743 178.743 179.581 -0.838 17685 4576 1 10 . 1 1 25 25 ALA CA C 350 54.632 54.632 54.824 -0.192 17685 4577 1 10 . 1 1 25 25 ALA CB C 350 18.299 18.299 18.068 0.231 17685 4578 1 10 . 1 1 25 25 ALA H H 350 8.014 8.014 8.416 -0.402 17685 4579 1 10 . 1 1 26 26 LYS N N 351 119.618 119.618 118.921 0.697 17685 4580 1 10 . 1 1 26 26 LYS HA H 351 4.196 4.196 3.922 0.274 17685 4581 1 10 . 1 1 26 26 LYS C C 351 178.485 178.485 178.798 -0.313 17685 4582 1 10 . 1 1 26 26 LYS CA C 351 60.014 60.014 59.903 0.111 17685 4583 1 10 . 1 1 26 26 LYS CB C 351 32.511 32.511 32.074 0.437 17685 4584 1 10 . 1 1 26 26 LYS H H 351 7.831 7.831 7.526 0.305 17685 4585 1 10 . 1 1 27 27 LYS N N 352 118.080 118.080 118.970 -0.890 17685 4586 1 10 . 1 1 27 27 LYS HA H 352 3.958 3.958 4.010 -0.052 17685 4587 1 10 . 1 1 27 27 LYS C C 352 179.564 179.564 178.860 0.704 17685 4588 1 10 . 1 1 27 27 LYS CA C 352 60.092 60.092 59.372 0.720 17685 4589 1 10 . 1 1 27 27 LYS CB C 352 32.550 32.550 32.440 0.110 17685 4590 1 10 . 1 1 27 27 LYS H H 352 7.905 7.905 7.526 0.379 17685 4591 1 10 . 1 1 28 28 LYS N N 353 119.878 119.878 118.995 0.883 17685 4592 1 10 . 1 1 28 28 LYS HA H 353 4.023 4.023 4.012 0.011 17685 4593 1 10 . 1 1 28 28 LYS C C 353 179.270 179.270 178.983 0.287 17685 4594 1 10 . 1 1 28 28 LYS CA C 353 59.806 59.806 59.525 0.281 17685 4595 1 10 . 1 1 28 28 LYS CB C 353 32.324 32.324 32.407 -0.083 17685 4596 1 10 . 1 1 28 28 LYS H H 353 7.934 7.934 8.165 -0.231 17685 4597 1 10 . 1 1 29 29 ASN N N 354 119.780 119.780 118.039 1.741 17685 4598 1 10 . 1 1 29 29 ASN HA H 354 4.557 4.557 4.484 0.073 17685 4599 1 10 . 1 1 29 29 ASN C C 354 177.395 177.395 177.645 -0.250 17685 4600 1 10 . 1 1 29 29 ASN CA C 354 56.167 56.167 55.693 0.474 17685 4601 1 10 . 1 1 29 29 ASN CB C 354 37.928 37.928 38.049 -0.121 17685 4602 1 10 . 1 1 29 29 ASN H H 354 8.524 8.524 8.521 0.003 17685 4603 1 10 . 1 1 30 30 LYS N N 355 118.850 118.850 119.217 -0.367 17685 4604 1 10 . 1 1 30 30 LYS HA H 355 3.820 3.820 3.878 -0.058 17685 4605 1 10 . 1 1 30 30 LYS C C 355 178.266 178.266 178.823 -0.557 17685 4606 1 10 . 1 1 30 30 LYS CA C 355 61.698 61.698 60.188 1.510 17685 4607 1 10 . 1 1 30 30 LYS CB C 355 33.000 33.000 32.274 0.726 17685 4608 1 10 . 1 1 30 30 LYS H H 355 8.599 8.599 7.892 0.707 17685 4609 1 10 . 1 1 31 31 ARG N N 356 118.226 118.226 119.438 -1.212 17685 4610 1 10 . 1 1 31 31 ARG HA H 356 3.940 3.940 4.134 -0.194 17685 4611 1 10 . 1 1 31 31 ARG C C 356 177.676 177.676 178.112 -0.436 17685 4612 1 10 . 1 1 31 31 ARG CA C 356 59.316 59.316 58.645 0.671 17685 4613 1 10 . 1 1 31 31 ARG CB C 356 30.266 30.266 30.110 0.156 17685 4614 1 10 . 1 1 31 31 ARG H H 356 7.809 7.809 7.493 0.316 17685 4615 1 10 . 1 1 32 32 ALA N N 357 120.780 120.780 122.861 -2.081 17685 4616 1 10 . 1 1 32 32 ALA HA H 357 4.104 4.104 3.982 0.122 17685 4617 1 10 . 1 1 32 32 ALA C C 357 181.157 181.157 179.773 1.384 17685 4618 1 10 . 1 1 32 32 ALA CA C 357 55.118 55.118 55.169 -0.051 17685 4619 1 10 . 1 1 32 32 ALA CB C 357 18.064 18.064 18.462 -0.398 17685 4620 1 10 . 1 1 32 32 ALA H H 357 8.155 8.155 8.148 0.007 17685 4621 1 10 . 1 1 33 33 ILE N N 358 116.468 116.468 117.011 -0.543 17685 4622 1 10 . 1 1 33 33 ILE HA H 358 3.590 3.590 3.681 -0.091 17685 4623 1 10 . 1 1 33 33 ILE C C 358 179.458 179.458 178.125 1.333 17685 4624 1 10 . 1 1 33 33 ILE CA C 358 65.775 65.775 63.438 2.337 17685 4625 1 10 . 1 1 33 33 ILE CB C 358 38.592 38.592 36.682 1.910 17685 4626 1 10 . 1 1 33 33 ILE H H 358 7.929 7.929 8.491 -0.562 17685 4627 1 10 . 1 1 34 34 ARG N N 359 119.937 119.937 119.306 0.631 17685 4628 1 10 . 1 1 34 34 ARG HA H 359 3.998 3.998 3.994 0.004 17685 4629 1 10 . 1 1 34 34 ARG C C 359 179.124 179.124 179.189 -0.065 17685 4630 1 10 . 1 1 34 34 ARG CA C 359 60.029 60.029 59.755 0.274 17685 4631 1 10 . 1 1 34 34 ARG CB C 359 30.576 30.576 29.736 0.840 17685 4632 1 10 . 1 1 34 34 ARG H H 359 8.672 8.672 7.509 1.163 17685 4633 1 10 . 1 1 35 35 ASN N N 360 116.359 116.359 117.664 -1.305 17685 4634 1 10 . 1 1 35 35 ASN HA H 360 4.575 4.575 4.506 0.069 17685 4635 1 10 . 1 1 35 35 ASN C C 360 175.723 175.723 176.335 -0.612 17685 4636 1 10 . 1 1 35 35 ASN CA C 360 54.215 54.215 56.045 -1.830 17685 4637 1 10 . 1 1 35 35 ASN CB C 360 38.575 38.575 38.566 0.009 17685 4638 1 10 . 1 1 35 35 ASN H H 360 8.454 8.454 7.828 0.626 17685 4639 1 10 . 1 1 36 36 SER N N 361 115.734 115.734 116.370 -0.636 17685 4640 1 10 . 1 1 36 36 SER HA H 361 3.995 3.995 4.189 -0.194 17685 4641 1 10 . 1 1 36 36 SER C C 361 176.129 176.129 175.922 0.207 17685 4642 1 10 . 1 1 36 36 SER CA C 361 62.349 62.349 62.029 0.320 17685 4643 1 10 . 1 1 36 36 SER CB C 361 63.664 63.664 62.884 0.780 17685 4644 1 10 . 1 1 36 36 SER H H 361 7.617 7.617 7.814 -0.197 17685 4645 1 10 . 1 1 37 37 ALA N N 362 124.421 124.421 123.521 0.900 17685 4646 1 10 . 1 1 37 37 ALA HA H 362 3.770 3.770 3.878 -0.108 17685 4647 1 10 . 1 1 37 37 ALA C C 362 178.482 178.482 177.859 0.623 17685 4648 1 10 . 1 1 37 37 ALA CA C 362 54.821 54.821 54.039 0.782 17685 4649 1 10 . 1 1 37 37 ALA CB C 362 18.347 18.347 17.976 0.371 17685 4650 1 10 . 1 1 37 37 ALA H H 362 6.868 6.868 7.640 -0.772 17685 4651 1 10 . 1 1 38 38 LYS N N 363 122.319 122.319 117.187 5.132 17685 4652 1 10 . 1 1 38 38 LYS HA H 363 2.913 2.913 4.160 -1.247 17685 4653 1 10 . 1 1 38 38 LYS C C 363 180.669 180.669 179.421 1.248 17685 4654 1 10 . 1 1 38 38 LYS CA C 363 59.567 59.567 58.436 1.131 17685 4655 1 10 . 1 1 38 38 LYS CB C 363 31.563 31.563 32.395 -0.832 17685 4656 1 10 . 1 1 38 38 LYS H H 363 8.317 8.317 7.482 0.835 17685 4657 1 10 . 1 1 39 39 GLU N N 364 118.666 118.666 118.025 0.641 17685 4658 1 10 . 1 1 39 39 GLU HA H 364 4.015 4.015 4.249 -0.234 17685 4659 1 10 . 1 1 39 39 GLU C C 364 176.609 176.609 178.238 -1.629 17685 4660 1 10 . 1 1 39 39 GLU CA C 364 58.674 58.674 58.504 0.170 17685 4661 1 10 . 1 1 39 39 GLU CB C 364 29.058 29.058 29.515 -0.457 17685 4662 1 10 . 1 1 39 39 GLU H H 364 7.935 7.935 8.062 -0.127 17685 4663 1 10 . 1 1 40 40 ALA N N 365 121.145 121.145 121.316 -0.171 17685 4664 1 10 . 1 1 40 40 ALA HA H 365 4.663 4.663 4.452 0.211 17685 4665 1 10 . 1 1 40 40 ALA C C 365 177.688 177.688 175.906 1.782 17685 4666 1 10 . 1 1 40 40 ALA CA C 365 50.931 50.931 51.285 -0.354 17685 4667 1 10 . 1 1 40 40 ALA CB C 365 18.566 18.566 19.499 -0.933 17685 4668 1 10 . 1 1 40 40 ALA H H 365 7.049 7.049 8.000 -0.951 17685 4669 1 10 . 1 1 41 41 ASP N N 366 121.103 121.103 115.875 5.228 17685 4670 1 10 . 1 1 41 41 ASP HA H 366 4.338 4.338 4.266 0.072 17685 4671 1 10 . 1 1 41 41 ASP C C 366 175.644 175.644 175.025 0.619 17685 4672 1 10 . 1 1 41 41 ASP CA C 366 55.898 55.898 54.395 1.503 17685 4673 1 10 . 1 1 41 41 ASP CB C 366 39.353 39.353 40.885 -1.532 17685 4674 1 10 . 1 1 41 41 ASP H H 366 8.099 8.099 7.072 1.027 17685 4675 1 10 . 1 1 42 42 TYR N N 367 110.700 110.700 119.908 -9.208 17685 4676 1 10 . 1 1 42 42 TYR HA H 367 2.485 2.485 4.059 -1.574 17685 4677 1 10 . 1 1 42 42 TYR C C 367 174.307 174.307 176.033 -1.726 17685 4678 1 10 . 1 1 42 42 TYR CA C 367 61.064 61.064 57.807 3.257 17685 4679 1 10 . 1 1 42 42 TYR CB C 367 34.242 34.242 38.087 -3.845 17685 4680 1 10 . 1 1 42 42 TYR H H 367 8.364 8.364 8.861 -0.497 17685 4681 1 10 . 1 1 43 43 PHE N N 368 111.305 111.305 116.490 -5.185 17685 4682 1 10 . 1 1 43 43 PHE HA H 368 4.666 4.666 4.212 0.454 17685 4683 1 10 . 1 1 43 43 PHE C C 368 177.162 177.162 176.153 1.009 17685 4684 1 10 . 1 1 43 43 PHE CA C 368 56.561 56.561 58.893 -2.332 17685 4685 1 10 . 1 1 43 43 PHE CB C 368 36.514 36.514 35.761 0.753 17685 4686 1 10 . 1 1 43 43 PHE H H 368 7.666 7.666 7.875 -0.209 17685 4687 1 10 . 1 1 44 44 GLY N N 369 106.300 106.300 105.791 0.509 17685 4688 1 10 . 1 1 44 44 GLY C C 369 174.446 174.446 174.502 -0.056 17685 4689 1 10 . 1 1 44 44 GLY CA C 369 45.780 45.780 45.084 0.696 17685 4690 1 10 . 1 1 44 44 GLY H H 369 7.671 7.671 8.279 -0.608 17685 4691 1 10 . 1 1 45 45 ASP N N 370 122.876 122.876 121.641 1.235 17685 4692 1 10 . 1 1 45 45 ASP HA H 370 5.323 5.323 4.895 0.428 17685 4693 1 10 . 1 1 45 45 ASP C C 370 176.360 176.360 176.377 -0.017 17685 4694 1 10 . 1 1 45 45 ASP CA C 370 53.322 53.322 53.583 -0.261 17685 4695 1 10 . 1 1 45 45 ASP CB C 370 41.391 41.391 41.204 0.187 17685 4696 1 10 . 1 1 45 45 ASP H H 370 8.331 8.331 8.060 0.271 17685 4697 1 10 . 1 1 46 46 ALA N N 371 121.771 121.771 123.279 -1.508 17685 4698 1 10 . 1 1 46 46 ALA HA H 371 3.600 3.600 3.855 -0.255 17685 4699 1 10 . 1 1 46 46 ALA C C 371 179.111 179.111 178.444 0.667 17685 4700 1 10 . 1 1 46 46 ALA CA C 371 56.038 56.038 54.488 1.550 17685 4701 1 10 . 1 1 46 46 ALA CB C 371 17.942 17.942 18.396 -0.454 17685 4702 1 10 . 1 1 46 46 ALA H H 371 8.282 8.282 8.359 -0.077 17685 4703 1 10 . 1 1 47 47 ASP N N 372 116.273 116.273 115.513 0.760 17685 4704 1 10 . 1 1 47 47 ASP HA H 372 4.359 4.359 4.513 -0.154 17685 4705 1 10 . 1 1 47 47 ASP C C 372 177.019 177.019 176.397 0.622 17685 4706 1 10 . 1 1 47 47 ASP CA C 372 55.832 55.832 55.483 0.348 17685 4707 1 10 . 1 1 47 47 ASP CB C 372 39.190 39.190 40.491 -1.301 17685 4708 1 10 . 1 1 47 47 ASP H H 372 9.068 9.068 8.642 0.426 17685 4709 1 10 . 1 1 48 48 LYS N N 373 120.180 120.180 119.084 1.096 17685 4710 1 10 . 1 1 48 48 LYS HA H 373 4.723 4.723 4.520 0.203 17685 4711 1 10 . 1 1 48 48 LYS C C 373 175.542 175.542 176.379 -0.837 17685 4712 1 10 . 1 1 48 48 LYS CA C 373 54.787 54.787 55.175 -0.388 17685 4713 1 10 . 1 1 48 48 LYS CB C 373 32.179 32.179 32.650 -0.471 17685 4714 1 10 . 1 1 48 48 LYS H H 373 8.050 8.050 7.718 0.332 17685 4715 1 10 . 1 1 49 49 ALA N N 374 122.498 122.498 123.066 -0.568 17685 4716 1 10 . 1 1 49 49 ALA HA H 374 3.068 3.068 4.154 -1.086 17685 4717 1 10 . 1 1 49 49 ALA C C 374 177.781 177.781 179.258 -1.477 17685 4718 1 10 . 1 1 49 49 ALA CA C 374 56.962 56.962 56.391 0.571 17685 4719 1 10 . 1 1 49 49 ALA CB C 374 17.855 17.855 18.091 -0.236 17685 4720 1 10 . 1 1 49 49 ALA H H 374 7.045 7.045 7.359 -0.314 17685 4721 1 10 . 1 1 50 50 THR N N 375 108.573 108.573 113.214 -4.641 17685 4722 1 10 . 1 1 50 50 THR HA H 375 4.044 4.044 4.018 0.026 17685 4723 1 10 . 1 1 50 50 THR C C 375 177.647 177.647 176.733 0.914 17685 4724 1 10 . 1 1 50 50 THR CA C 375 66.201 66.201 67.266 -1.065 17685 4725 1 10 . 1 1 50 50 THR CB C 375 68.334 68.334 68.209 0.125 17685 4726 1 10 . 1 1 50 50 THR H H 375 8.285 8.285 8.445 -0.160 17685 4727 1 10 . 1 1 51 51 THR N N 376 120.018 120.018 119.064 0.954 17685 4728 1 10 . 1 1 51 51 THR HA H 376 4.147 4.147 4.074 0.073 17685 4729 1 10 . 1 1 51 51 THR C C 376 175.499 175.499 176.206 -0.707 17685 4730 1 10 . 1 1 51 51 THR CA C 376 66.145 66.145 66.826 -0.681 17685 4731 1 10 . 1 1 51 51 THR CB C 376 69.382 69.382 68.375 1.007 17685 4732 1 10 . 1 1 51 51 THR H H 376 7.359 7.359 7.456 -0.097 17685 4733 1 10 . 1 1 52 52 ILE N N 377 122.319 122.319 123.395 -1.076 17685 4734 1 10 . 1 1 52 52 ILE HA H 377 3.168 3.168 3.867 -0.699 17685 4735 1 10 . 1 1 52 52 ILE C C 377 177.879 177.879 178.100 -0.221 17685 4736 1 10 . 1 1 52 52 ILE CA C 377 67.070 67.070 65.441 1.629 17685 4737 1 10 . 1 1 52 52 ILE CB C 377 38.257 38.257 37.576 0.681 17685 4738 1 10 . 1 1 52 52 ILE H H 377 8.346 8.346 8.524 -0.178 17685 4739 1 10 . 1 1 53 53 ASP N N 378 117.696 117.696 119.581 -1.885 17685 4740 1 10 . 1 1 53 53 ASP HA H 378 4.739 4.739 4.320 0.419 17685 4741 1 10 . 1 1 53 53 ASP C C 378 180.094 180.094 178.996 1.098 17685 4742 1 10 . 1 1 53 53 ASP CA C 378 58.044 58.044 58.003 0.041 17685 4743 1 10 . 1 1 53 53 ASP CB C 378 39.648 39.648 40.208 -0.560 17685 4744 1 10 . 1 1 53 53 ASP H H 378 8.991 8.991 8.718 0.273 17685 4745 1 10 . 1 1 54 54 GLU N N 379 121.956 121.956 120.522 1.434 17685 4746 1 10 . 1 1 54 54 GLU HA H 379 4.174 4.174 4.058 0.116 17685 4747 1 10 . 1 1 54 54 GLU C C 379 179.679 179.679 178.859 0.820 17685 4748 1 10 . 1 1 54 54 GLU CA C 379 59.572 59.572 59.175 0.397 17685 4749 1 10 . 1 1 54 54 GLU CB C 379 29.324 29.324 29.763 -0.439 17685 4750 1 10 . 1 1 54 54 GLU H H 379 7.946 7.946 7.743 0.203 17685 4751 1 10 . 1 1 55 55 GLN N N 380 120.733 120.733 119.691 1.042 17685 4752 1 10 . 1 1 55 55 GLN HA H 380 4.171 4.171 4.065 0.106 17685 4753 1 10 . 1 1 55 55 GLN C C 380 178.288 178.288 178.747 -0.459 17685 4754 1 10 . 1 1 55 55 GLN CA C 380 59.994 59.994 59.111 0.883 17685 4755 1 10 . 1 1 55 55 GLN CB C 380 29.566 29.566 29.148 0.418 17685 4756 1 10 . 1 1 55 55 GLN H H 380 8.357 8.357 8.510 -0.153 17685 4757 1 10 . 1 1 56 56 VAL N N 381 120.353 120.353 118.878 1.475 17685 4758 1 10 . 1 1 56 56 VAL HA H 381 3.536 3.536 3.584 -0.048 17685 4759 1 10 . 1 1 56 56 VAL C C 381 178.220 178.220 178.185 0.035 17685 4760 1 10 . 1 1 56 56 VAL CA C 381 67.557 67.557 66.452 1.105 17685 4761 1 10 . 1 1 56 56 VAL CB C 381 31.349 31.349 30.771 0.578 17685 4762 1 10 . 1 1 56 56 VAL H H 381 9.484 9.484 8.469 1.015 17685 4763 1 10 . 1 1 57 57 GLY N N 382 106.926 106.926 107.978 -1.052 17685 4764 1 10 . 1 1 57 57 GLY C C 382 174.843 174.843 176.284 -1.441 17685 4765 1 10 . 1 1 57 57 GLY CA C 382 47.694 47.694 47.103 0.591 17685 4766 1 10 . 1 1 57 57 GLY H H 382 8.169 8.169 7.533 0.636 17685 4767 1 10 . 1 1 58 58 LEU N N 383 120.610 120.610 122.862 -2.252 17685 4768 1 10 . 1 1 58 58 LEU HA H 383 4.151 4.151 3.945 0.206 17685 4769 1 10 . 1 1 58 58 LEU C C 383 180.087 180.087 179.040 1.047 17685 4770 1 10 . 1 1 58 58 LEU CA C 383 57.974 57.974 57.849 0.125 17685 4771 1 10 . 1 1 58 58 LEU CB C 383 42.125 42.125 41.663 0.463 17685 4772 1 10 . 1 1 58 58 LEU H H 383 7.568 7.568 8.218 -0.650 17685 4773 1 10 . 1 1 59 59 ILE N N 384 120.213 120.213 119.280 0.933 17685 4774 1 10 . 1 1 59 59 ILE HA H 384 3.416 3.416 3.573 -0.157 17685 4775 1 10 . 1 1 59 59 ILE C C 384 178.310 178.310 178.100 0.210 17685 4776 1 10 . 1 1 59 59 ILE CA C 384 66.069 66.069 65.540 0.530 17685 4777 1 10 . 1 1 59 59 ILE CB C 384 38.233 38.233 37.763 0.471 17685 4778 1 10 . 1 1 59 59 ILE H H 384 8.057 8.057 8.140 -0.083 17685 4779 1 10 . 1 1 60 60 VAL N N 385 115.546 115.546 115.058 0.488 17685 4780 1 10 . 1 1 60 60 VAL HA H 385 3.560 3.560 3.584 -0.024 17685 4781 1 10 . 1 1 60 60 VAL C C 385 177.921 177.921 176.971 0.950 17685 4782 1 10 . 1 1 60 60 VAL CA C 385 66.702 66.702 65.582 1.120 17685 4783 1 10 . 1 1 60 60 VAL CB C 385 31.565 31.565 31.659 -0.094 17685 4784 1 10 . 1 1 60 60 VAL H H 385 8.672 8.672 7.808 0.864 17685 4785 1 10 . 1 1 61 61 ASP N N 386 117.831 117.831 118.905 -1.074 17685 4786 1 10 . 1 1 61 61 ASP HA H 386 4.571 4.571 4.477 0.094 17685 4787 1 10 . 1 1 61 61 ASP C C 386 177.238 177.238 177.843 -0.605 17685 4788 1 10 . 1 1 61 61 ASP CA C 386 56.184 56.184 56.498 -0.314 17685 4789 1 10 . 1 1 61 61 ASP CB C 386 40.632 40.632 41.359 -0.727 17685 4790 1 10 . 1 1 61 61 ASP H H 386 7.988 7.988 8.136 -0.148 17685 4791 1 10 . 1 1 62 62 SER N N 387 114.761 114.761 114.672 0.089 17685 4792 1 10 . 1 1 62 62 SER HA H 387 4.577 4.577 4.498 0.079 17685 4793 1 10 . 1 1 62 62 SER C C 387 173.645 173.645 174.106 -0.461 17685 4794 1 10 . 1 1 62 62 SER CA C 387 59.694 59.694 60.220 -0.526 17685 4795 1 10 . 1 1 62 62 SER CB C 387 64.588 64.588 63.873 0.715 17685 4796 1 10 . 1 1 62 62 SER H H 387 7.755 7.755 7.590 0.165 17685 4797 1 10 . 1 1 63 63 LEU N N 388 121.610 121.610 120.871 0.739 17685 4798 1 10 . 1 1 63 63 LEU HA H 388 4.506 4.506 4.363 0.143 17685 4799 1 10 . 1 1 63 63 LEU C C 388 177.071 177.071 174.885 2.186 17685 4800 1 10 . 1 1 63 63 LEU CA C 388 54.490 54.490 53.926 0.564 17685 4801 1 10 . 1 1 63 63 LEU CB C 388 42.414 42.414 43.167 -0.753 17685 4802 1 10 . 1 1 63 63 LEU H H 388 7.083 7.083 7.313 -0.230 17685 4803 1 10 . 1 1 64 64 ASN N N 389 122.154 122.154 113.650 8.504 17685 4804 1 10 . 1 1 64 64 ASN HA H 389 4.748 4.748 4.899 -0.151 17685 4805 1 10 . 1 1 64 64 ASN C C 389 175.144 175.144 175.306 -0.162 17685 4806 1 10 . 1 1 64 64 ASN CA C 389 51.898 51.898 51.553 0.345 17685 4807 1 10 . 1 1 64 64 ASN CB C 389 37.762 37.762 40.843 -3.081 17685 4808 1 10 . 1 1 64 64 ASN H H 389 9.587 9.587 8.007 1.580 17685 4809 1 10 . 1 1 65 65 ASP N N 390 116.882 116.882 119.217 -2.335 17685 4810 1 10 . 1 1 65 65 ASP HA H 390 4.288 4.288 4.234 0.054 17685 4811 1 10 . 1 1 65 65 ASP C C 390 178.601 178.601 177.479 1.122 17685 4812 1 10 . 1 1 65 65 ASP CA C 390 58.992 58.992 57.589 1.403 17685 4813 1 10 . 1 1 65 65 ASP CB C 390 40.168 40.168 40.407 -0.239 17685 4814 1 10 . 1 1 65 65 ASP H H 390 8.504 8.504 8.882 -0.378 17685 4815 1 10 . 1 1 66 66 GLU N N 391 119.807 119.807 118.899 0.908 17685 4816 1 10 . 1 1 66 66 GLU HA H 391 4.048 4.048 4.140 -0.092 17685 4817 1 10 . 1 1 66 66 GLU C C 391 179.549 179.549 179.091 0.458 17685 4818 1 10 . 1 1 66 66 GLU CA C 391 59.943 59.943 58.894 1.049 17685 4819 1 10 . 1 1 66 66 GLU CB C 391 29.119 29.119 29.406 -0.287 17685 4820 1 10 . 1 1 66 66 GLU H H 391 8.318 8.318 8.695 -0.377 17685 4821 1 10 . 1 1 67 67 GLU N N 392 121.747 121.747 119.986 1.761 17685 4822 1 10 . 1 1 67 67 GLU HA H 392 4.151 4.151 4.175 -0.024 17685 4823 1 10 . 1 1 67 67 GLU C C 392 180.544 180.544 178.955 1.589 17685 4824 1 10 . 1 1 67 67 GLU CA C 392 58.307 58.307 58.437 -0.130 17685 4825 1 10 . 1 1 67 67 GLU CB C 392 30.933 30.933 29.403 1.530 17685 4826 1 10 . 1 1 67 67 GLU H H 392 8.709 8.709 7.951 0.758 17685 4827 1 10 . 1 1 68 68 LEU N N 393 123.523 123.523 121.418 2.105 17685 4828 1 10 . 1 1 68 68 LEU HA H 393 3.923 3.923 4.144 -0.221 17685 4829 1 10 . 1 1 68 68 LEU C C 393 178.151 178.151 179.662 -1.511 17685 4830 1 10 . 1 1 68 68 LEU CA C 393 58.642 58.642 57.863 0.779 17685 4831 1 10 . 1 1 68 68 LEU CB C 393 42.304 42.304 41.647 0.658 17685 4832 1 10 . 1 1 68 68 LEU H H 393 8.930 8.930 8.603 0.327 17685 4833 1 10 . 1 1 69 69 VAL N N 394 118.071 118.071 118.351 -0.280 17685 4834 1 10 . 1 1 69 69 VAL HA H 394 3.527 3.527 3.724 -0.197 17685 4835 1 10 . 1 1 69 69 VAL C C 394 177.701 177.701 177.637 0.064 17685 4836 1 10 . 1 1 69 69 VAL CA C 394 66.494 66.494 65.751 0.743 17685 4837 1 10 . 1 1 69 69 VAL CB C 394 32.103 32.103 30.839 1.264 17685 4838 1 10 . 1 1 69 69 VAL H H 394 7.304 7.304 8.309 -1.005 17685 4839 1 10 . 1 1 70 70 SER N N 395 112.686 112.686 114.974 -2.288 17685 4840 1 10 . 1 1 70 70 SER HA H 395 4.238 4.238 4.219 0.019 17685 4841 1 10 . 1 1 70 70 SER C C 395 177.618 177.618 176.650 0.968 17685 4842 1 10 . 1 1 70 70 SER CA C 395 61.410 61.410 62.096 -0.686 17685 4843 1 10 . 1 1 70 70 SER CB C 395 63.002 63.002 62.934 0.067 17685 4844 1 10 . 1 1 70 70 SER H H 395 7.906 7.906 7.627 0.279 17685 4845 1 10 . 1 1 71 71 THR N N 396 118.003 118.003 115.065 2.938 17685 4846 1 10 . 1 1 71 71 THR HA H 396 3.767 3.767 3.999 -0.232 17685 4847 1 10 . 1 1 71 71 THR C C 396 175.404 175.404 176.465 -1.061 17685 4848 1 10 . 1 1 71 71 THR CA C 396 67.763 67.763 65.394 2.369 17685 4849 1 10 . 1 1 71 71 THR CB C 396 68.498 68.498 68.719 -0.221 17685 4850 1 10 . 1 1 71 71 THR H H 396 8.511 8.511 8.387 0.124 17685 4851 1 10 . 1 1 72 72 ALA N N 397 123.373 123.373 124.042 -0.669 17685 4852 1 10 . 1 1 72 72 ALA HA H 397 3.857 3.857 3.869 -0.012 17685 4853 1 10 . 1 1 72 72 ALA C C 397 180.173 180.173 178.997 1.176 17685 4854 1 10 . 1 1 72 72 ALA CA C 397 56.079 56.079 55.418 0.661 17685 4855 1 10 . 1 1 72 72 ALA CB C 397 17.767 17.767 18.230 -0.463 17685 4856 1 10 . 1 1 72 72 ALA H H 397 8.268 8.268 8.458 -0.190 17685 4857 1 10 . 1 1 73 73 ASP N N 398 118.963 118.963 117.965 0.998 17685 4858 1 10 . 1 1 73 73 ASP HA H 398 4.382 4.382 4.350 0.032 17685 4859 1 10 . 1 1 73 73 ASP C C 398 179.471 179.471 178.684 0.787 17685 4860 1 10 . 1 1 73 73 ASP CA C 398 57.692 57.692 57.494 0.198 17685 4861 1 10 . 1 1 73 73 ASP CB C 398 40.015 40.015 40.922 -0.907 17685 4862 1 10 . 1 1 73 73 ASP H H 398 8.585 8.585 8.111 0.474 17685 4863 1 10 . 1 1 74 74 LYS N N 399 120.591 120.591 118.542 2.049 17685 4864 1 10 . 1 1 74 74 LYS HA H 399 4.050 4.050 4.103 -0.053 17685 4865 1 10 . 1 1 74 74 LYS C C 399 180.082 180.082 179.287 0.795 17685 4866 1 10 . 1 1 74 74 LYS CA C 399 60.001 60.001 58.380 1.621 17685 4867 1 10 . 1 1 74 74 LYS CB C 399 34.080 34.080 32.149 1.931 17685 4868 1 10 . 1 1 74 74 LYS H H 399 8.003 8.003 7.532 0.471 17685 4869 1 10 . 1 1 75 75 ILE N N 400 120.602 120.602 119.042 1.560 17685 4870 1 10 . 1 1 75 75 ILE HA H 400 3.687 3.687 3.975 -0.288 17685 4871 1 10 . 1 1 75 75 ILE C C 400 177.770 177.770 177.764 0.006 17685 4872 1 10 . 1 1 75 75 ILE CA C 400 64.860 64.860 64.727 0.133 17685 4873 1 10 . 1 1 75 75 ILE CB C 400 38.253 38.253 38.165 0.088 17685 4874 1 10 . 1 1 75 75 ILE H H 400 7.877 7.877 8.094 -0.217 17685 4875 1 10 . 1 1 76 76 LYS N N 401 120.036 120.036 118.280 1.756 17685 4876 1 10 . 1 1 76 76 LYS HA H 401 4.032 4.032 4.183 -0.151 17685 4877 1 10 . 1 1 76 76 LYS C C 401 178.423 178.423 178.301 0.122 17685 4878 1 10 . 1 1 76 76 LYS CA C 401 58.735 58.735 57.907 0.827 17685 4879 1 10 . 1 1 76 76 LYS CB C 401 32.325 32.325 31.587 0.738 17685 4880 1 10 . 1 1 76 76 LYS H H 401 8.260 8.260 8.185 0.075 17685 4881 1 10 . 1 1 77 77 ALA N N 402 118.655 118.655 121.957 -3.302 17685 4882 1 10 . 1 1 77 77 ALA HA H 402 4.205 4.205 4.258 -0.053 17685 4883 1 10 . 1 1 77 77 ALA C C 402 177.949 177.949 177.320 0.629 17685 4884 1 10 . 1 1 77 77 ALA CA C 402 53.673 53.673 53.206 0.467 17685 4885 1 10 . 1 1 77 77 ALA CB C 402 19.018 19.018 19.445 -0.427 17685 4886 1 10 . 1 1 77 77 ALA H H 402 7.564 7.564 7.853 -0.289 17685 4887 1 10 . 1 1 78 78 ASN N N 403 113.964 113.964 115.790 -1.826 17685 4888 1 10 . 1 1 78 78 ASN HA H 403 4.841 4.841 4.757 0.084 17685 4889 1 10 . 1 1 78 78 ASN C C 403 174.866 174.866 175.003 -0.137 17685 4890 1 10 . 1 1 78 78 ASN CA C 403 52.485 52.485 53.507 -1.022 17685 4891 1 10 . 1 1 78 78 ASN CB C 403 37.659 37.659 39.076 -1.417 17685 4892 1 10 . 1 1 78 78 ASN H H 403 7.397 7.397 7.289 0.108 17685 4893 1 10 . 1 1 79 79 ALA N N 404 131.057 131.057 129.091 1.966 17685 4894 1 10 . 1 1 79 79 ALA HA H 404 4.160 4.160 4.297 -0.137 17685 4895 1 10 . 1 1 79 79 ALA C C 404 180.575 180.575 178.575 2.000 17685 4896 1 10 . 1 1 79 79 ALA CA C 404 56.271 56.271 54.647 1.624 17685 4897 1 10 . 1 1 79 79 ALA CB C 404 18.357 18.357 19.009 -0.652 17685 4898 1 10 . 1 1 79 79 ALA H H 404 9.143 9.143 8.740 0.403 17685 4899 1 10 . 1 1 80 80 ALA N N 405 117.862 117.862 118.706 -0.844 17685 4900 1 10 . 1 1 80 80 ALA HA H 405 4.362 4.362 4.311 0.051 17685 4901 1 10 . 1 1 80 80 ALA C C 405 179.218 179.218 177.808 1.410 17685 4902 1 10 . 1 1 80 80 ALA CA C 405 53.931 53.931 52.984 0.947 17685 4903 1 10 . 1 1 80 80 ALA CB C 405 18.226 18.226 18.930 -0.704 17685 4904 1 10 . 1 1 80 80 ALA H H 405 8.315 8.315 7.847 0.468 17685 4905 1 10 . 1 1 81 81 GLY N N 406 106.895 106.895 105.212 1.683 17685 4906 1 10 . 1 1 81 81 GLY C C 406 175.175 175.175 174.358 0.817 17685 4907 1 10 . 1 1 81 81 GLY CA C 406 45.363 45.363 44.319 1.044 17685 4908 1 10 . 1 1 81 81 GLY H H 406 7.908 7.908 7.543 0.365 17685 4909 1 10 . 1 1 82 82 ALA N N 407 120.775 120.775 125.062 -4.287 17685 4910 1 10 . 1 1 82 82 ALA HA H 407 3.971 3.971 4.038 -0.067 17685 4911 1 10 . 1 1 82 82 ALA C C 407 177.879 177.879 178.428 -0.549 17685 4912 1 10 . 1 1 82 82 ALA CA C 407 56.076 56.076 55.307 0.769 17685 4913 1 10 . 1 1 82 82 ALA CB C 407 19.120 19.120 18.904 0.216 17685 4914 1 10 . 1 1 82 82 ALA H H 407 7.574 7.574 7.885 -0.311 17685 4915 1 10 . 1 1 83 83 LYS N N 408 117.628 117.628 118.755 -1.127 17685 4916 1 10 . 1 1 83 83 LYS HA H 408 3.352 3.352 4.034 -0.682 17685 4917 1 10 . 1 1 83 83 LYS C C 408 178.064 178.064 178.095 -0.031 17685 4918 1 10 . 1 1 83 83 LYS CA C 408 61.404 61.404 60.062 1.342 17685 4919 1 10 . 1 1 83 83 LYS CB C 408 31.311 31.311 31.826 -0.515 17685 4920 1 10 . 1 1 83 83 LYS H H 408 8.755 8.755 8.454 0.301 17685 4921 1 10 . 1 1 84 84 GLU N N 409 116.005 116.005 118.035 -2.030 17685 4922 1 10 . 1 1 84 84 GLU HA H 409 3.994 3.994 4.042 -0.048 17685 4923 1 10 . 1 1 84 84 GLU C C 409 179.508 179.508 178.523 0.985 17685 4924 1 10 . 1 1 84 84 GLU CA C 409 59.300 59.300 58.952 0.348 17685 4925 1 10 . 1 1 84 84 GLU CB C 409 28.978 28.978 28.793 0.185 17685 4926 1 10 . 1 1 84 84 GLU H H 409 7.708 7.708 8.105 -0.397 17685 4927 1 10 . 1 1 85 85 VAL N N 410 120.216 120.216 120.445 -0.229 17685 4928 1 10 . 1 1 85 85 VAL HA H 410 3.786 3.786 3.757 0.029 17685 4929 1 10 . 1 1 85 85 VAL C C 410 179.087 179.087 177.298 1.789 17685 4930 1 10 . 1 1 85 85 VAL CA C 410 66.066 66.066 65.263 0.803 17685 4931 1 10 . 1 1 85 85 VAL CB C 410 32.060 32.060 31.922 0.138 17685 4932 1 10 . 1 1 85 85 VAL H H 410 7.494 7.494 7.531 -0.037 17685 4933 1 10 . 1 1 86 86 LEU N N 411 121.293 121.293 120.871 0.422 17685 4934 1 10 . 1 1 86 86 LEU HA H 411 3.871 3.871 3.695 0.176 17685 4935 1 10 . 1 1 86 86 LEU C C 411 178.844 178.844 178.642 0.202 17685 4936 1 10 . 1 1 86 86 LEU CA C 411 58.100 58.100 58.158 -0.058 17685 4937 1 10 . 1 1 86 86 LEU CB C 411 42.047 42.047 40.783 1.264 17685 4938 1 10 . 1 1 86 86 LEU H H 411 8.371 8.371 7.954 0.417 17685 4939 1 10 . 1 1 87 87 LYS N N 412 119.536 119.536 118.983 0.553 17685 4940 1 10 . 1 1 87 87 LYS HA H 412 4.206 4.206 4.017 0.189 17685 4941 1 10 . 1 1 87 87 LYS C C 412 179.347 179.347 179.194 0.153 17685 4942 1 10 . 1 1 87 87 LYS CA C 412 60.924 60.924 60.225 0.699 17685 4943 1 10 . 1 1 87 87 LYS CB C 412 32.216 32.216 32.004 0.212 17685 4944 1 10 . 1 1 87 87 LYS H H 412 8.818 8.818 8.622 0.196 17685 4945 1 10 . 1 1 88 88 GLU N N 413 120.780 120.780 119.079 1.701 17685 4946 1 10 . 1 1 88 88 GLU HA H 413 4.127 4.127 4.126 0.001 17685 4947 1 10 . 1 1 88 88 GLU C C 413 179.469 179.469 179.082 0.387 17685 4948 1 10 . 1 1 88 88 GLU CA C 413 59.720 59.720 58.901 0.819 17685 4949 1 10 . 1 1 88 88 GLU CB C 413 29.021 29.021 29.069 -0.048 17685 4950 1 10 . 1 1 88 88 GLU H H 413 7.882 7.882 7.664 0.218 17685 4951 1 10 . 1 1 89 89 SER N N 414 116.823 116.823 117.157 -0.334 17685 4952 1 10 . 1 1 89 89 SER HA H 414 3.765 3.765 4.086 -0.321 17685 4953 1 10 . 1 1 89 89 SER C C 414 176.091 176.091 176.449 -0.358 17685 4954 1 10 . 1 1 89 89 SER CA C 414 63.550 63.550 62.384 1.166 17685 4955 1 10 . 1 1 89 89 SER CB C 414 63.718 63.718 62.763 0.955 17685 4956 1 10 . 1 1 89 89 SER H H 414 8.296 8.296 7.926 0.370 17685 4957 1 10 . 1 1 90 90 ALA N N 415 123.230 123.230 125.014 -1.784 17685 4958 1 10 . 1 1 90 90 ALA HA H 415 3.831 3.831 3.817 0.014 17685 4959 1 10 . 1 1 90 90 ALA C C 415 177.963 177.963 179.024 -1.061 17685 4960 1 10 . 1 1 90 90 ALA CA C 415 55.415 55.415 55.454 -0.039 17685 4961 1 10 . 1 1 90 90 ALA CB C 415 19.432 19.432 18.240 1.192 17685 4962 1 10 . 1 1 90 90 ALA H H 415 8.805 8.805 8.594 0.211 17685 4963 1 10 . 1 1 91 91 LYS N N 416 117.753 117.753 118.291 -0.538 17685 4964 1 10 . 1 1 91 91 LYS HA H 416 3.972 3.972 4.054 -0.082 17685 4965 1 10 . 1 1 91 91 LYS C C 416 178.198 178.198 179.089 -0.891 17685 4966 1 10 . 1 1 91 91 LYS CA C 416 59.817 59.817 59.056 0.761 17685 4967 1 10 . 1 1 91 91 LYS CB C 416 32.247 32.247 32.018 0.229 17685 4968 1 10 . 1 1 91 91 LYS H H 416 8.085 8.085 8.156 -0.071 17685 4969 1 10 . 1 1 92 92 THR N N 417 114.597 114.597 116.896 -2.299 17685 4970 1 10 . 1 1 92 92 THR HA H 417 4.075 4.075 4.078 -0.003 17685 4971 1 10 . 1 1 92 92 THR C C 417 177.541 177.541 176.578 0.963 17685 4972 1 10 . 1 1 92 92 THR CA C 417 66.473 66.473 66.804 -0.331 17685 4973 1 10 . 1 1 92 92 THR CB C 417 69.070 69.070 68.499 0.571 17685 4974 1 10 . 1 1 92 92 THR H H 417 7.923 7.923 7.521 0.402 17685 4975 1 10 . 1 1 93 93 ILE N N 418 124.160 124.160 122.677 1.483 17685 4976 1 10 . 1 1 93 93 ILE HA H 418 3.662 3.662 3.577 0.085 17685 4977 1 10 . 1 1 93 93 ILE C C 418 178.114 178.114 177.694 0.420 17685 4978 1 10 . 1 1 93 93 ILE CA C 418 65.626 65.626 65.939 -0.312 17685 4979 1 10 . 1 1 93 93 ILE CB C 418 38.297 38.297 37.521 0.776 17685 4980 1 10 . 1 1 93 93 ILE H H 418 7.984 7.984 8.525 -0.541 17685 4981 1 10 . 1 1 94 94 VAL N N 419 121.566 121.566 120.119 1.447 17685 4982 1 10 . 1 1 94 94 VAL HA H 419 4.156 4.156 4.107 0.049 17685 4983 1 10 . 1 1 94 94 VAL C C 419 181.424 181.424 179.449 1.975 17685 4984 1 10 . 1 1 94 94 VAL CA C 419 65.808 65.808 65.769 0.039 17685 4985 1 10 . 1 1 94 94 VAL CB C 419 31.892 31.892 31.025 0.867 17685 4986 1 10 . 1 1 94 94 VAL H H 419 8.551 8.551 8.412 0.139 17685 4987 1 10 . 1 1 95 95 ASP N N 420 123.788 123.788 121.178 2.610 17685 4988 1 10 . 1 1 95 95 ASP HA H 420 4.477 4.477 4.491 -0.014 17685 4989 1 10 . 1 1 95 95 ASP C C 420 178.220 178.220 178.101 0.119 17685 4990 1 10 . 1 1 95 95 ASP CA C 420 57.548 57.548 56.682 0.866 17685 4991 1 10 . 1 1 95 95 ASP CB C 420 39.850 39.850 40.969 -1.119 17685 4992 1 10 . 1 1 95 95 ASP H H 420 9.354 9.354 8.139 1.215 17685 4993 1 10 . 1 1 96 96 SER N N 421 111.960 111.960 112.774 -0.814 17685 4994 1 10 . 1 1 96 96 SER HA H 421 4.526 4.526 4.515 0.011 17685 4995 1 10 . 1 1 96 96 SER C C 421 175.345 175.345 174.829 0.516 17685 4996 1 10 . 1 1 96 96 SER CA C 421 59.433 59.433 58.482 0.951 17685 4997 1 10 . 1 1 96 96 SER CB C 421 64.264 64.264 63.474 0.790 17685 4998 1 10 . 1 1 96 96 SER H H 421 7.862 7.862 8.117 -0.255 17685 4999 1 10 . 1 1 97 97 GLY N N 422 110.240 110.240 108.827 1.413 17685 5000 1 10 . 1 1 97 97 GLY C C 422 175.158 175.158 175.139 0.019 17685 5001 1 10 . 1 1 97 97 GLY CA C 422 45.606 45.606 46.180 -0.574 17685 5002 1 10 . 1 1 97 97 GLY H H 422 8.063 8.063 7.736 0.327 17685 5003 1 10 . 1 1 98 98 LYS N N 423 120.213 120.213 119.057 1.156 17685 5004 1 10 . 1 1 98 98 LYS HA H 423 4.083 4.083 4.217 -0.134 17685 5005 1 10 . 1 1 98 98 LYS C C 423 176.681 176.681 176.331 0.350 17685 5006 1 10 . 1 1 98 98 LYS CA C 423 59.417 59.417 57.662 1.755 17685 5007 1 10 . 1 1 98 98 LYS CB C 423 33.453 33.453 33.604 -0.151 17685 5008 1 10 . 1 1 98 98 LYS H H 423 7.992 7.992 8.284 -0.292 17685 5009 1 10 . 1 1 99 99 LEU N N 424 114.357 114.357 119.258 -4.901 17685 5010 1 10 . 1 1 99 99 LEU HA H 424 4.848 4.848 4.890 -0.042 17685 5011 1 10 . 1 1 99 99 LEU C C 424 174.161 174.161 174.119 0.042 17685 5012 1 10 . 1 1 99 99 LEU CA C 424 52.225 52.225 51.508 0.717 17685 5013 1 10 . 1 1 99 99 LEU CB C 424 46.075 46.075 44.465 1.610 17685 5014 1 10 . 1 1 99 99 LEU H H 424 6.865 6.865 7.440 -0.575 17685 5015 1 10 . 1 1 100 100 PRO HA H 425 4.650 4.650 4.771 -0.121 17685 5016 1 10 . 1 1 100 100 PRO C C 425 177.559 177.559 177.703 -0.144 17685 5017 1 10 . 1 1 100 100 PRO CA C 425 61.643 61.643 62.573 -0.930 17685 5018 1 10 . 1 1 100 100 PRO CB C 425 32.422 32.422 32.249 0.173 17685 5019 1 10 . 1 1 101 101 SER N N 426 117.043 117.043 119.128 -2.085 17685 5020 1 10 . 1 1 101 101 SER HA H 426 3.824 3.824 4.161 -0.337 17685 5021 1 10 . 1 1 101 101 SER C C 426 177.202 177.202 176.832 0.370 17685 5022 1 10 . 1 1 101 101 SER CA C 426 61.708 61.708 61.716 -0.008 17685 5023 1 10 . 1 1 101 101 SER CB C 426 62.706 62.706 62.364 0.342 17685 5024 1 10 . 1 1 101 101 SER H H 426 8.999 8.999 8.722 0.277 17685 5025 1 10 . 1 1 102 102 SER N N 427 114.761 114.761 116.846 -2.085 17685 5026 1 10 . 1 1 102 102 SER HA H 427 4.112 4.112 4.411 -0.299 17685 5027 1 10 . 1 1 102 102 SER C C 427 176.526 176.526 175.456 1.070 17685 5028 1 10 . 1 1 102 102 SER CA C 427 60.650 60.650 60.066 0.584 17685 5029 1 10 . 1 1 102 102 SER CB C 427 62.213 62.213 62.594 -0.381 17685 5030 1 10 . 1 1 102 102 SER H H 427 8.115 8.115 8.494 -0.379 17685 5031 1 10 . 1 1 103 103 LEU N N 428 120.408 120.408 120.297 0.111 17685 5032 1 10 . 1 1 103 103 LEU HA H 428 4.435 4.435 4.373 0.062 17685 5033 1 10 . 1 1 103 103 LEU C C 428 176.698 176.698 176.269 0.429 17685 5034 1 10 . 1 1 103 103 LEU CA C 428 55.847 55.847 55.625 0.222 17685 5035 1 10 . 1 1 103 103 LEU CB C 428 42.586 42.586 42.727 -0.141 17685 5036 1 10 . 1 1 103 103 LEU H H 428 7.320 7.320 7.694 -0.374 17685 5037 1 10 . 1 1 104 104 LEU N N 429 117.860 117.860 115.789 2.071 17685 5038 1 10 . 1 1 104 104 LEU HA H 429 4.995 4.995 4.759 0.236 17685 5039 1 10 . 1 1 104 104 LEU C C 429 178.320 178.320 177.083 1.237 17685 5040 1 10 . 1 1 104 104 LEU CA C 429 52.672 52.672 53.846 -1.175 17685 5041 1 10 . 1 1 104 104 LEU CB C 429 43.039 43.039 42.251 0.788 17685 5042 1 10 . 1 1 104 104 LEU H H 429 7.325 7.325 7.735 -0.410 17685 5043 1 10 . 1 1 105 105 SER N N 430 112.664 112.664 117.265 -4.601 17685 5044 1 10 . 1 1 105 105 SER HA H 430 4.259 4.259 4.509 -0.250 17685 5045 1 10 . 1 1 105 105 SER C C 430 175.288 175.288 176.075 -0.787 17685 5046 1 10 . 1 1 105 105 SER CA C 430 61.247 61.247 60.606 0.641 17685 5047 1 10 . 1 1 105 105 SER CB C 430 64.058 64.058 62.795 1.263 17685 5048 1 10 . 1 1 105 105 SER H H 430 6.990 6.990 8.235 -1.245 17685 5049 1 10 . 1 1 106 106 TYR N N 431 125.624 125.624 118.908 6.716 17685 5050 1 10 . 1 1 106 106 TYR HA H 431 4.060 4.060 4.131 -0.071 17685 5051 1 10 . 1 1 106 106 TYR C C 431 176.064 176.064 175.160 0.904 17685 5052 1 10 . 1 1 106 106 TYR CA C 431 61.449 61.449 60.556 0.893 17685 5053 1 10 . 1 1 106 106 TYR CB C 431 38.282 38.282 38.580 -0.298 17685 5054 1 10 . 1 1 106 106 TYR H H 431 10.433 10.433 7.876 2.557 17685 5055 1 10 . 1 1 107 107 PHE N N 432 113.203 113.203 113.520 -0.317 17685 5056 1 10 . 1 1 107 107 PHE HA H 432 4.314 4.314 4.506 -0.192 17685 5057 1 10 . 1 1 107 107 PHE C C 432 173.901 173.901 175.841 -1.940 17685 5058 1 10 . 1 1 107 107 PHE CA C 432 59.810 59.810 59.834 -0.024 17685 5059 1 10 . 1 1 107 107 PHE CB C 432 43.249 43.249 40.923 2.326 17685 5060 1 10 . 1 1 107 107 PHE H H 432 7.955 7.955 7.794 0.161 17685 5061 1 11 . 1 1 22 22 SER N N 347 116.741 116.741 117.727 -0.986 17685 5062 1 11 . 1 1 22 22 SER HA H 347 4.355 4.355 4.178 0.177 17685 5063 1 11 . 1 1 22 22 SER C C 347 176.272 176.272 176.559 -0.287 17685 5064 1 11 . 1 1 22 22 SER CA C 347 59.651 59.651 60.984 -1.333 17685 5065 1 11 . 1 1 22 22 SER CB C 347 63.231 63.231 63.354 -0.123 17685 5066 1 11 . 1 1 22 22 SER H H 347 8.311 8.311 8.629 -0.318 17685 5067 1 11 . 1 1 23 23 LYS N N 348 124.398 124.398 120.347 4.051 17685 5068 1 11 . 1 1 23 23 LYS HA H 348 4.142 4.142 4.164 -0.022 17685 5069 1 11 . 1 1 23 23 LYS C C 348 178.743 178.743 179.090 -0.347 17685 5070 1 11 . 1 1 23 23 LYS CA C 348 59.304 59.304 58.383 0.921 17685 5071 1 11 . 1 1 23 23 LYS CB C 348 32.301 32.301 31.674 0.627 17685 5072 1 11 . 1 1 23 23 LYS H H 348 8.611 8.611 8.407 0.204 17685 5073 1 11 . 1 1 24 24 ALA N N 349 122.494 122.494 121.551 0.943 17685 5074 1 11 . 1 1 24 24 ALA HA H 349 4.137 4.137 4.346 -0.209 17685 5075 1 11 . 1 1 24 24 ALA C C 349 179.869 179.869 179.369 0.500 17685 5076 1 11 . 1 1 24 24 ALA CA C 349 54.811 54.811 54.255 0.556 17685 5077 1 11 . 1 1 24 24 ALA CB C 349 18.284 18.284 18.204 0.080 17685 5078 1 11 . 1 1 24 24 ALA H H 349 8.245 8.245 8.097 0.148 17685 5079 1 11 . 1 1 25 25 ALA N N 350 121.576 121.576 121.726 -0.150 17685 5080 1 11 . 1 1 25 25 ALA HA H 350 4.136 4.136 3.970 0.166 17685 5081 1 11 . 1 1 25 25 ALA C C 350 178.743 178.743 179.340 -0.597 17685 5082 1 11 . 1 1 25 25 ALA CA C 350 54.632 54.632 55.406 -0.773 17685 5083 1 11 . 1 1 25 25 ALA CB C 350 18.299 18.299 18.368 -0.069 17685 5084 1 11 . 1 1 25 25 ALA H H 350 8.014 8.014 8.249 -0.235 17685 5085 1 11 . 1 1 26 26 LYS N N 351 119.618 119.618 117.918 1.700 17685 5086 1 11 . 1 1 26 26 LYS HA H 351 4.196 4.196 4.333 -0.137 17685 5087 1 11 . 1 1 26 26 LYS C C 351 178.485 178.485 179.045 -0.560 17685 5088 1 11 . 1 1 26 26 LYS CA C 351 60.014 60.014 59.099 0.915 17685 5089 1 11 . 1 1 26 26 LYS CB C 351 32.511 32.511 31.857 0.654 17685 5090 1 11 . 1 1 26 26 LYS H H 351 7.831 7.831 7.676 0.154 17685 5091 1 11 . 1 1 27 27 LYS N N 352 118.080 118.080 119.542 -1.462 17685 5092 1 11 . 1 1 27 27 LYS HA H 352 3.958 3.958 4.022 -0.064 17685 5093 1 11 . 1 1 27 27 LYS C C 352 179.564 179.564 179.010 0.554 17685 5094 1 11 . 1 1 27 27 LYS CA C 352 60.092 60.092 59.456 0.636 17685 5095 1 11 . 1 1 27 27 LYS CB C 352 32.550 32.550 32.227 0.323 17685 5096 1 11 . 1 1 27 27 LYS H H 352 7.905 7.905 7.540 0.365 17685 5097 1 11 . 1 1 28 28 LYS N N 353 119.878 119.878 119.773 0.105 17685 5098 1 11 . 1 1 28 28 LYS HA H 353 4.023 4.023 4.021 0.002 17685 5099 1 11 . 1 1 28 28 LYS C C 353 179.270 179.270 178.710 0.560 17685 5100 1 11 . 1 1 28 28 LYS CA C 353 59.806 59.806 58.703 1.103 17685 5101 1 11 . 1 1 28 28 LYS CB C 353 32.324 32.324 32.048 0.276 17685 5102 1 11 . 1 1 28 28 LYS H H 353 7.934 7.934 8.093 -0.159 17685 5103 1 11 . 1 1 29 29 ASN N N 354 119.780 119.780 118.538 1.242 17685 5104 1 11 . 1 1 29 29 ASN HA H 354 4.557 4.557 4.327 0.230 17685 5105 1 11 . 1 1 29 29 ASN C C 354 177.395 177.395 177.544 -0.149 17685 5106 1 11 . 1 1 29 29 ASN CA C 354 56.167 56.167 56.803 -0.637 17685 5107 1 11 . 1 1 29 29 ASN CB C 354 37.928 37.928 38.417 -0.489 17685 5108 1 11 . 1 1 29 29 ASN H H 354 8.524 8.524 8.595 -0.071 17685 5109 1 11 . 1 1 30 30 LYS N N 355 118.850 118.850 119.798 -0.948 17685 5110 1 11 . 1 1 30 30 LYS HA H 355 3.820 3.820 3.851 -0.031 17685 5111 1 11 . 1 1 30 30 LYS C C 355 178.266 178.266 178.853 -0.587 17685 5112 1 11 . 1 1 30 30 LYS CA C 355 61.698 61.698 59.946 1.752 17685 5113 1 11 . 1 1 30 30 LYS CB C 355 33.000 33.000 32.261 0.739 17685 5114 1 11 . 1 1 30 30 LYS H H 355 8.599 8.599 8.150 0.449 17685 5115 1 11 . 1 1 31 31 ARG N N 356 118.226 118.226 119.453 -1.227 17685 5116 1 11 . 1 1 31 31 ARG HA H 356 3.940 3.940 4.056 -0.116 17685 5117 1 11 . 1 1 31 31 ARG C C 356 177.676 177.676 178.423 -0.747 17685 5118 1 11 . 1 1 31 31 ARG CA C 356 59.316 59.316 59.081 0.235 17685 5119 1 11 . 1 1 31 31 ARG CB C 356 30.266 30.266 30.295 -0.029 17685 5120 1 11 . 1 1 31 31 ARG H H 356 7.809 7.809 7.988 -0.179 17685 5121 1 11 . 1 1 32 32 ALA N N 357 120.780 120.780 122.319 -1.539 17685 5122 1 11 . 1 1 32 32 ALA HA H 357 4.104 4.104 4.060 0.044 17685 5123 1 11 . 1 1 32 32 ALA C C 357 181.157 181.157 179.749 1.408 17685 5124 1 11 . 1 1 32 32 ALA CA C 357 55.118 55.118 55.011 0.107 17685 5125 1 11 . 1 1 32 32 ALA CB C 357 18.064 18.064 18.566 -0.502 17685 5126 1 11 . 1 1 32 32 ALA H H 357 8.155 8.155 8.252 -0.097 17685 5127 1 11 . 1 1 33 33 ILE N N 358 116.468 116.468 118.138 -1.670 17685 5128 1 11 . 1 1 33 33 ILE HA H 358 3.590 3.590 3.555 0.035 17685 5129 1 11 . 1 1 33 33 ILE C C 358 179.458 179.458 178.212 1.246 17685 5130 1 11 . 1 1 33 33 ILE CA C 358 65.775 65.775 65.200 0.576 17685 5131 1 11 . 1 1 33 33 ILE CB C 358 38.592 38.592 37.640 0.952 17685 5132 1 11 . 1 1 33 33 ILE H H 358 7.929 7.929 8.506 -0.577 17685 5133 1 11 . 1 1 34 34 ARG N N 359 119.937 119.937 119.302 0.635 17685 5134 1 11 . 1 1 34 34 ARG HA H 359 3.998 3.998 4.037 -0.039 17685 5135 1 11 . 1 1 34 34 ARG C C 359 179.124 179.124 179.133 -0.009 17685 5136 1 11 . 1 1 34 34 ARG CA C 359 60.029 60.029 59.704 0.325 17685 5137 1 11 . 1 1 34 34 ARG CB C 359 30.576 30.576 29.966 0.610 17685 5138 1 11 . 1 1 34 34 ARG H H 359 8.672 8.672 7.631 1.041 17685 5139 1 11 . 1 1 35 35 ASN N N 360 116.359 116.359 118.124 -1.765 17685 5140 1 11 . 1 1 35 35 ASN HA H 360 4.575 4.575 4.473 0.102 17685 5141 1 11 . 1 1 35 35 ASN C C 360 175.723 175.723 176.418 -0.695 17685 5142 1 11 . 1 1 35 35 ASN CA C 360 54.215 54.215 56.299 -2.084 17685 5143 1 11 . 1 1 35 35 ASN CB C 360 38.575 38.575 38.474 0.101 17685 5144 1 11 . 1 1 35 35 ASN H H 360 8.454 8.454 8.410 0.044 17685 5145 1 11 . 1 1 36 36 SER N N 361 115.734 115.734 116.170 -0.436 17685 5146 1 11 . 1 1 36 36 SER HA H 361 3.995 3.995 4.196 -0.201 17685 5147 1 11 . 1 1 36 36 SER C C 361 176.129 176.129 175.836 0.293 17685 5148 1 11 . 1 1 36 36 SER CA C 361 62.349 62.349 61.968 0.381 17685 5149 1 11 . 1 1 36 36 SER CB C 361 63.664 63.664 62.879 0.785 17685 5150 1 11 . 1 1 36 36 SER H H 361 7.617 7.617 7.560 0.057 17685 5151 1 11 . 1 1 37 37 ALA N N 362 124.421 124.421 123.714 0.707 17685 5152 1 11 . 1 1 37 37 ALA HA H 362 3.770 3.770 3.741 0.029 17685 5153 1 11 . 1 1 37 37 ALA C C 362 178.482 178.482 177.368 1.114 17685 5154 1 11 . 1 1 37 37 ALA CA C 362 54.821 54.821 54.027 0.794 17685 5155 1 11 . 1 1 37 37 ALA CB C 362 18.347 18.347 18.067 0.280 17685 5156 1 11 . 1 1 37 37 ALA H H 362 6.868 6.868 7.485 -0.617 17685 5157 1 11 . 1 1 38 38 LYS N N 363 122.319 122.319 117.086 5.233 17685 5158 1 11 . 1 1 38 38 LYS HA H 363 2.913 2.913 4.077 -1.164 17685 5159 1 11 . 1 1 38 38 LYS C C 363 180.669 180.669 179.389 1.280 17685 5160 1 11 . 1 1 38 38 LYS CA C 363 59.567 59.567 58.880 0.687 17685 5161 1 11 . 1 1 38 38 LYS CB C 363 31.563 31.563 32.577 -1.014 17685 5162 1 11 . 1 1 38 38 LYS H H 363 8.317 8.317 7.253 1.064 17685 5163 1 11 . 1 1 39 39 GLU N N 364 118.666 118.666 118.866 -0.200 17685 5164 1 11 . 1 1 39 39 GLU HA H 364 4.015 4.015 4.155 -0.140 17685 5165 1 11 . 1 1 39 39 GLU C C 364 176.609 176.609 178.094 -1.485 17685 5166 1 11 . 1 1 39 39 GLU CA C 364 58.674 58.674 58.505 0.168 17685 5167 1 11 . 1 1 39 39 GLU CB C 364 29.058 29.058 29.885 -0.827 17685 5168 1 11 . 1 1 39 39 GLU H H 364 7.935 7.935 8.276 -0.341 17685 5169 1 11 . 1 1 40 40 ALA N N 365 121.145 121.145 119.366 1.779 17685 5170 1 11 . 1 1 40 40 ALA HA H 365 4.663 4.663 4.564 0.099 17685 5171 1 11 . 1 1 40 40 ALA C C 365 177.688 177.688 175.706 1.982 17685 5172 1 11 . 1 1 40 40 ALA CA C 365 50.931 50.931 50.879 0.052 17685 5173 1 11 . 1 1 40 40 ALA CB C 365 18.566 18.566 19.733 -1.167 17685 5174 1 11 . 1 1 40 40 ALA H H 365 7.049 7.049 7.841 -0.792 17685 5175 1 11 . 1 1 41 41 ASP N N 366 121.103 121.103 116.813 4.290 17685 5176 1 11 . 1 1 41 41 ASP HA H 366 4.338 4.338 4.195 0.143 17685 5177 1 11 . 1 1 41 41 ASP C C 366 175.644 175.644 174.946 0.698 17685 5178 1 11 . 1 1 41 41 ASP CA C 366 55.898 55.898 54.519 1.379 17685 5179 1 11 . 1 1 41 41 ASP CB C 366 39.353 39.353 41.063 -1.710 17685 5180 1 11 . 1 1 41 41 ASP H H 366 8.099 8.099 7.190 0.909 17685 5181 1 11 . 1 1 42 42 TYR N N 367 110.700 110.700 120.509 -9.809 17685 5182 1 11 . 1 1 42 42 TYR HA H 367 2.485 2.485 3.953 -1.468 17685 5183 1 11 . 1 1 42 42 TYR C C 367 174.307 174.307 176.056 -1.749 17685 5184 1 11 . 1 1 42 42 TYR CA C 367 61.064 61.064 58.439 2.625 17685 5185 1 11 . 1 1 42 42 TYR CB C 367 34.242 34.242 38.037 -3.795 17685 5186 1 11 . 1 1 42 42 TYR H H 367 8.364 8.364 8.778 -0.414 17685 5187 1 11 . 1 1 43 43 PHE N N 368 111.305 111.305 115.913 -4.608 17685 5188 1 11 . 1 1 43 43 PHE HA H 368 4.666 4.666 4.209 0.457 17685 5189 1 11 . 1 1 43 43 PHE C C 368 177.162 177.162 175.936 1.226 17685 5190 1 11 . 1 1 43 43 PHE CA C 368 56.561 56.561 59.059 -2.498 17685 5191 1 11 . 1 1 43 43 PHE CB C 368 36.514 36.514 35.691 0.823 17685 5192 1 11 . 1 1 43 43 PHE H H 368 7.666 7.666 7.864 -0.198 17685 5193 1 11 . 1 1 44 44 GLY N N 369 106.300 106.300 104.947 1.353 17685 5194 1 11 . 1 1 44 44 GLY C C 369 174.446 174.446 174.823 -0.377 17685 5195 1 11 . 1 1 44 44 GLY CA C 369 45.780 45.780 45.049 0.731 17685 5196 1 11 . 1 1 44 44 GLY H H 369 7.671 7.671 8.125 -0.454 17685 5197 1 11 . 1 1 45 45 ASP N N 370 122.876 122.876 121.248 1.628 17685 5198 1 11 . 1 1 45 45 ASP HA H 370 5.323 5.323 4.853 0.470 17685 5199 1 11 . 1 1 45 45 ASP C C 370 176.360 176.360 176.396 -0.036 17685 5200 1 11 . 1 1 45 45 ASP CA C 370 53.322 53.322 54.027 -0.705 17685 5201 1 11 . 1 1 45 45 ASP CB C 370 41.391 41.391 41.088 0.303 17685 5202 1 11 . 1 1 45 45 ASP H H 370 8.331 8.331 8.112 0.219 17685 5203 1 11 . 1 1 46 46 ALA N N 371 121.771 121.771 123.253 -1.482 17685 5204 1 11 . 1 1 46 46 ALA HA H 371 3.600 3.600 3.802 -0.202 17685 5205 1 11 . 1 1 46 46 ALA C C 371 179.111 179.111 178.971 0.140 17685 5206 1 11 . 1 1 46 46 ALA CA C 371 56.038 56.038 54.713 1.325 17685 5207 1 11 . 1 1 46 46 ALA CB C 371 17.942 17.942 18.471 -0.529 17685 5208 1 11 . 1 1 46 46 ALA H H 371 8.282 8.282 8.362 -0.080 17685 5209 1 11 . 1 1 47 47 ASP N N 372 116.273 116.273 117.696 -1.423 17685 5210 1 11 . 1 1 47 47 ASP HA H 372 4.359 4.359 4.381 -0.022 17685 5211 1 11 . 1 1 47 47 ASP C C 372 177.019 177.019 177.319 -0.300 17685 5212 1 11 . 1 1 47 47 ASP CA C 372 55.832 55.832 56.782 -0.950 17685 5213 1 11 . 1 1 47 47 ASP CB C 372 39.190 39.190 40.749 -1.559 17685 5214 1 11 . 1 1 47 47 ASP H H 372 9.068 9.068 8.732 0.336 17685 5215 1 11 . 1 1 48 48 LYS N N 373 120.180 120.180 115.753 4.427 17685 5216 1 11 . 1 1 48 48 LYS HA H 373 4.723 4.723 4.611 0.112 17685 5217 1 11 . 1 1 48 48 LYS C C 373 175.542 175.542 175.950 -0.408 17685 5218 1 11 . 1 1 48 48 LYS CA C 373 54.787 54.787 54.828 -0.041 17685 5219 1 11 . 1 1 48 48 LYS CB C 373 32.179 32.179 31.816 0.363 17685 5220 1 11 . 1 1 48 48 LYS H H 373 8.050 8.050 7.751 0.299 17685 5221 1 11 . 1 1 49 49 ALA N N 374 122.498 122.498 123.643 -1.145 17685 5222 1 11 . 1 1 49 49 ALA HA H 374 3.068 3.068 3.933 -0.865 17685 5223 1 11 . 1 1 49 49 ALA C C 374 177.781 177.781 179.132 -1.351 17685 5224 1 11 . 1 1 49 49 ALA CA C 374 56.962 56.962 56.014 0.948 17685 5225 1 11 . 1 1 49 49 ALA CB C 374 17.855 17.855 18.022 -0.167 17685 5226 1 11 . 1 1 49 49 ALA H H 374 7.045 7.045 7.401 -0.356 17685 5227 1 11 . 1 1 50 50 THR N N 375 108.573 108.573 112.706 -4.133 17685 5228 1 11 . 1 1 50 50 THR HA H 375 4.044 4.044 4.022 0.022 17685 5229 1 11 . 1 1 50 50 THR C C 375 177.647 177.647 176.472 1.175 17685 5230 1 11 . 1 1 50 50 THR CA C 375 66.201 66.201 67.701 -1.500 17685 5231 1 11 . 1 1 50 50 THR CB C 375 68.334 68.334 68.051 0.283 17685 5232 1 11 . 1 1 50 50 THR H H 375 8.285 8.285 8.307 -0.022 17685 5233 1 11 . 1 1 51 51 THR N N 376 120.018 120.018 119.773 0.245 17685 5234 1 11 . 1 1 51 51 THR HA H 376 4.147 4.147 4.060 0.087 17685 5235 1 11 . 1 1 51 51 THR C C 376 175.499 175.499 176.630 -1.131 17685 5236 1 11 . 1 1 51 51 THR CA C 376 66.145 66.145 66.760 -0.615 17685 5237 1 11 . 1 1 51 51 THR CB C 376 69.382 69.382 68.359 1.023 17685 5238 1 11 . 1 1 51 51 THR H H 376 7.359 7.359 7.374 -0.015 17685 5239 1 11 . 1 1 52 52 ILE N N 377 122.319 122.319 122.351 -0.032 17685 5240 1 11 . 1 1 52 52 ILE HA H 377 3.168 3.168 3.614 -0.446 17685 5241 1 11 . 1 1 52 52 ILE C C 377 177.879 177.879 177.486 0.393 17685 5242 1 11 . 1 1 52 52 ILE CA C 377 67.070 67.070 65.919 1.151 17685 5243 1 11 . 1 1 52 52 ILE CB C 377 38.257 38.257 37.751 0.506 17685 5244 1 11 . 1 1 52 52 ILE H H 377 8.346 8.346 8.551 -0.205 17685 5245 1 11 . 1 1 53 53 ASP N N 378 117.696 117.696 120.426 -2.730 17685 5246 1 11 . 1 1 53 53 ASP HA H 378 4.739 4.739 4.356 0.383 17685 5247 1 11 . 1 1 53 53 ASP C C 378 180.094 180.094 178.534 1.560 17685 5248 1 11 . 1 1 53 53 ASP CA C 378 58.044 58.044 57.981 0.063 17685 5249 1 11 . 1 1 53 53 ASP CB C 378 39.648 39.648 40.853 -1.205 17685 5250 1 11 . 1 1 53 53 ASP H H 378 8.991 8.991 8.460 0.531 17685 5251 1 11 . 1 1 54 54 GLU N N 379 121.956 121.956 119.567 2.389 17685 5252 1 11 . 1 1 54 54 GLU HA H 379 4.174 4.174 3.952 0.222 17685 5253 1 11 . 1 1 54 54 GLU C C 379 179.679 179.679 179.324 0.355 17685 5254 1 11 . 1 1 54 54 GLU CA C 379 59.572 59.572 59.564 0.008 17685 5255 1 11 . 1 1 54 54 GLU CB C 379 29.324 29.324 29.629 -0.305 17685 5256 1 11 . 1 1 54 54 GLU H H 379 7.946 7.946 8.429 -0.483 17685 5257 1 11 . 1 1 55 55 GLN N N 380 120.733 120.733 119.173 1.560 17685 5258 1 11 . 1 1 55 55 GLN HA H 380 4.171 4.171 4.127 0.044 17685 5259 1 11 . 1 1 55 55 GLN C C 380 178.288 178.288 178.723 -0.435 17685 5260 1 11 . 1 1 55 55 GLN CA C 380 59.994 59.994 59.139 0.855 17685 5261 1 11 . 1 1 55 55 GLN CB C 380 29.566 29.566 29.239 0.327 17685 5262 1 11 . 1 1 55 55 GLN H H 380 8.357 8.357 7.854 0.503 17685 5263 1 11 . 1 1 56 56 VAL N N 381 120.353 120.353 119.720 0.633 17685 5264 1 11 . 1 1 56 56 VAL HA H 381 3.536 3.536 3.563 -0.027 17685 5265 1 11 . 1 1 56 56 VAL C C 381 178.220 178.220 178.278 -0.058 17685 5266 1 11 . 1 1 56 56 VAL CA C 381 67.557 67.557 66.472 1.085 17685 5267 1 11 . 1 1 56 56 VAL CB C 381 31.349 31.349 30.674 0.675 17685 5268 1 11 . 1 1 56 56 VAL H H 381 9.484 9.484 8.686 0.798 17685 5269 1 11 . 1 1 57 57 GLY N N 382 106.926 106.926 108.031 -1.105 17685 5270 1 11 . 1 1 57 57 GLY C C 382 174.843 174.843 176.343 -1.500 17685 5271 1 11 . 1 1 57 57 GLY CA C 382 47.694 47.694 47.291 0.403 17685 5272 1 11 . 1 1 57 57 GLY H H 382 8.169 8.169 8.379 -0.210 17685 5273 1 11 . 1 1 58 58 LEU N N 383 120.610 120.610 122.839 -2.229 17685 5274 1 11 . 1 1 58 58 LEU HA H 383 4.151 4.151 3.976 0.175 17685 5275 1 11 . 1 1 58 58 LEU C C 383 180.087 180.087 178.878 1.209 17685 5276 1 11 . 1 1 58 58 LEU CA C 383 57.974 57.974 57.510 0.464 17685 5277 1 11 . 1 1 58 58 LEU CB C 383 42.125 42.125 41.819 0.306 17685 5278 1 11 . 1 1 58 58 LEU H H 383 7.568 7.568 8.024 -0.456 17685 5279 1 11 . 1 1 59 59 ILE N N 384 120.213 120.213 119.698 0.515 17685 5280 1 11 . 1 1 59 59 ILE HA H 384 3.416 3.416 3.560 -0.144 17685 5281 1 11 . 1 1 59 59 ILE C C 384 178.310 178.310 178.020 0.290 17685 5282 1 11 . 1 1 59 59 ILE CA C 384 66.069 66.069 65.671 0.398 17685 5283 1 11 . 1 1 59 59 ILE CB C 384 38.233 38.233 37.659 0.574 17685 5284 1 11 . 1 1 59 59 ILE H H 384 8.057 8.057 8.227 -0.170 17685 5285 1 11 . 1 1 60 60 VAL N N 385 115.546 115.546 114.740 0.806 17685 5286 1 11 . 1 1 60 60 VAL HA H 385 3.560 3.560 3.639 -0.079 17685 5287 1 11 . 1 1 60 60 VAL C C 385 177.921 177.921 176.671 1.250 17685 5288 1 11 . 1 1 60 60 VAL CA C 385 66.702 66.702 65.476 1.226 17685 5289 1 11 . 1 1 60 60 VAL CB C 385 31.565 31.565 31.682 -0.117 17685 5290 1 11 . 1 1 60 60 VAL H H 385 8.672 8.672 8.160 0.512 17685 5291 1 11 . 1 1 61 61 ASP N N 386 117.831 117.831 118.459 -0.628 17685 5292 1 11 . 1 1 61 61 ASP HA H 386 4.571 4.571 4.519 0.052 17685 5293 1 11 . 1 1 61 61 ASP C C 386 177.238 177.238 177.809 -0.571 17685 5294 1 11 . 1 1 61 61 ASP CA C 386 56.184 56.184 56.345 -0.161 17685 5295 1 11 . 1 1 61 61 ASP CB C 386 40.632 40.632 41.728 -1.096 17685 5296 1 11 . 1 1 61 61 ASP H H 386 7.988 7.988 7.724 0.264 17685 5297 1 11 . 1 1 62 62 SER N N 387 114.761 114.761 113.926 0.835 17685 5298 1 11 . 1 1 62 62 SER HA H 387 4.577 4.577 4.338 0.239 17685 5299 1 11 . 1 1 62 62 SER C C 387 173.645 173.645 175.221 -1.576 17685 5300 1 11 . 1 1 62 62 SER CA C 387 59.694 59.694 60.158 -0.464 17685 5301 1 11 . 1 1 62 62 SER CB C 387 64.588 64.588 63.723 0.865 17685 5302 1 11 . 1 1 62 62 SER H H 387 7.755 7.755 7.974 -0.219 17685 5303 1 11 . 1 1 63 63 LEU N N 388 121.610 121.610 120.660 0.950 17685 5304 1 11 . 1 1 63 63 LEU HA H 388 4.506 4.506 4.226 0.280 17685 5305 1 11 . 1 1 63 63 LEU C C 388 177.071 177.071 175.314 1.757 17685 5306 1 11 . 1 1 63 63 LEU CA C 388 54.490 54.490 54.653 -0.163 17685 5307 1 11 . 1 1 63 63 LEU CB C 388 42.414 42.414 42.660 -0.246 17685 5308 1 11 . 1 1 63 63 LEU H H 388 7.083 7.083 7.663 -0.580 17685 5309 1 11 . 1 1 64 64 ASN N N 389 122.154 122.154 116.014 6.140 17685 5310 1 11 . 1 1 64 64 ASN HA H 389 4.748 4.748 4.816 -0.068 17685 5311 1 11 . 1 1 64 64 ASN C C 389 175.144 175.144 175.489 -0.345 17685 5312 1 11 . 1 1 64 64 ASN CA C 389 51.898 51.898 51.634 0.264 17685 5313 1 11 . 1 1 64 64 ASN CB C 389 37.762 37.762 40.146 -2.384 17685 5314 1 11 . 1 1 64 64 ASN H H 389 9.587 9.587 8.072 1.515 17685 5315 1 11 . 1 1 65 65 ASP N N 390 116.882 116.882 119.898 -3.016 17685 5316 1 11 . 1 1 65 65 ASP HA H 390 4.288 4.288 4.232 0.056 17685 5317 1 11 . 1 1 65 65 ASP C C 390 178.601 178.601 178.025 0.576 17685 5318 1 11 . 1 1 65 65 ASP CA C 390 58.992 58.992 58.515 0.477 17685 5319 1 11 . 1 1 65 65 ASP CB C 390 40.168 40.168 40.669 -0.501 17685 5320 1 11 . 1 1 65 65 ASP H H 390 8.504 8.504 8.877 -0.373 17685 5321 1 11 . 1 1 66 66 GLU N N 391 119.807 119.807 117.869 1.938 17685 5322 1 11 . 1 1 66 66 GLU HA H 391 4.048 4.048 4.060 -0.012 17685 5323 1 11 . 1 1 66 66 GLU C C 391 179.549 179.549 178.693 0.856 17685 5324 1 11 . 1 1 66 66 GLU CA C 391 59.943 59.943 59.180 0.763 17685 5325 1 11 . 1 1 66 66 GLU CB C 391 29.119 29.119 29.137 -0.018 17685 5326 1 11 . 1 1 66 66 GLU H H 391 8.318 8.318 8.719 -0.401 17685 5327 1 11 . 1 1 67 67 GLU N N 392 121.747 121.747 120.007 1.740 17685 5328 1 11 . 1 1 67 67 GLU HA H 392 4.151 4.151 4.161 -0.010 17685 5329 1 11 . 1 1 67 67 GLU C C 392 180.544 180.544 179.098 1.446 17685 5330 1 11 . 1 1 67 67 GLU CA C 392 58.307 58.307 58.306 0.001 17685 5331 1 11 . 1 1 67 67 GLU CB C 392 30.933 30.933 29.147 1.786 17685 5332 1 11 . 1 1 67 67 GLU H H 392 8.709 8.709 7.712 0.997 17685 5333 1 11 . 1 1 68 68 LEU N N 393 123.523 123.523 120.401 3.122 17685 5334 1 11 . 1 1 68 68 LEU HA H 393 3.923 3.923 4.006 -0.083 17685 5335 1 11 . 1 1 68 68 LEU C C 393 178.151 178.151 179.382 -1.231 17685 5336 1 11 . 1 1 68 68 LEU CA C 393 58.642 58.642 58.019 0.623 17685 5337 1 11 . 1 1 68 68 LEU CB C 393 42.304 42.304 41.439 0.865 17685 5338 1 11 . 1 1 68 68 LEU H H 393 8.930 8.930 8.164 0.766 17685 5339 1 11 . 1 1 69 69 VAL N N 394 118.071 118.071 118.534 -0.463 17685 5340 1 11 . 1 1 69 69 VAL HA H 394 3.527 3.527 3.466 0.061 17685 5341 1 11 . 1 1 69 69 VAL C C 394 177.701 177.701 178.253 -0.552 17685 5342 1 11 . 1 1 69 69 VAL CA C 394 66.494 66.494 66.842 -0.348 17685 5343 1 11 . 1 1 69 69 VAL CB C 394 32.103 32.103 31.308 0.795 17685 5344 1 11 . 1 1 69 69 VAL H H 394 7.304 7.304 7.433 -0.129 17685 5345 1 11 . 1 1 70 70 SER N N 395 112.686 112.686 115.644 -2.958 17685 5346 1 11 . 1 1 70 70 SER HA H 395 4.238 4.238 4.186 0.052 17685 5347 1 11 . 1 1 70 70 SER C C 395 177.618 177.618 177.020 0.598 17685 5348 1 11 . 1 1 70 70 SER CA C 395 61.410 61.410 62.291 -0.881 17685 5349 1 11 . 1 1 70 70 SER CB C 395 63.002 63.002 62.900 0.102 17685 5350 1 11 . 1 1 70 70 SER H H 395 7.906 7.906 7.750 0.156 17685 5351 1 11 . 1 1 71 71 THR N N 396 118.003 118.003 115.100 2.903 17685 5352 1 11 . 1 1 71 71 THR HA H 396 3.767 3.767 4.011 -0.244 17685 5353 1 11 . 1 1 71 71 THR C C 396 175.404 175.404 176.550 -1.146 17685 5354 1 11 . 1 1 71 71 THR CA C 396 67.763 67.763 65.762 2.001 17685 5355 1 11 . 1 1 71 71 THR CB C 396 68.498 68.498 68.717 -0.219 17685 5356 1 11 . 1 1 71 71 THR H H 396 8.511 8.511 8.446 0.065 17685 5357 1 11 . 1 1 72 72 ALA N N 397 123.373 123.373 124.349 -0.976 17685 5358 1 11 . 1 1 72 72 ALA HA H 397 3.857 3.857 3.926 -0.069 17685 5359 1 11 . 1 1 72 72 ALA C C 397 180.173 180.173 179.031 1.142 17685 5360 1 11 . 1 1 72 72 ALA CA C 397 56.079 56.079 55.040 1.039 17685 5361 1 11 . 1 1 72 72 ALA CB C 397 17.767 17.767 18.243 -0.476 17685 5362 1 11 . 1 1 72 72 ALA H H 397 8.268 8.268 7.798 0.470 17685 5363 1 11 . 1 1 73 73 ASP N N 398 118.963 118.963 118.684 0.279 17685 5364 1 11 . 1 1 73 73 ASP HA H 398 4.382 4.382 4.303 0.079 17685 5365 1 11 . 1 1 73 73 ASP C C 398 179.471 179.471 178.695 0.776 17685 5366 1 11 . 1 1 73 73 ASP CA C 398 57.692 57.692 57.437 0.255 17685 5367 1 11 . 1 1 73 73 ASP CB C 398 40.015 40.015 40.916 -0.901 17685 5368 1 11 . 1 1 73 73 ASP H H 398 8.585 8.585 8.269 0.316 17685 5369 1 11 . 1 1 74 74 LYS N N 399 120.591 120.591 118.586 2.005 17685 5370 1 11 . 1 1 74 74 LYS HA H 399 4.050 4.050 4.048 0.002 17685 5371 1 11 . 1 1 74 74 LYS C C 399 180.082 180.082 179.277 0.805 17685 5372 1 11 . 1 1 74 74 LYS CA C 399 60.001 60.001 59.068 0.933 17685 5373 1 11 . 1 1 74 74 LYS CB C 399 34.080 34.080 32.494 1.586 17685 5374 1 11 . 1 1 74 74 LYS H H 399 8.003 8.003 7.929 0.074 17685 5375 1 11 . 1 1 75 75 ILE N N 400 120.602 120.602 119.886 0.716 17685 5376 1 11 . 1 1 75 75 ILE HA H 400 3.687 3.687 3.917 -0.231 17685 5377 1 11 . 1 1 75 75 ILE C C 400 177.770 177.770 177.941 -0.171 17685 5378 1 11 . 1 1 75 75 ILE CA C 400 64.860 64.860 64.585 0.275 17685 5379 1 11 . 1 1 75 75 ILE CB C 400 38.253 38.253 37.873 0.380 17685 5380 1 11 . 1 1 75 75 ILE H H 400 7.877 7.877 7.780 0.097 17685 5381 1 11 . 1 1 76 76 LYS N N 401 120.036 120.036 118.840 1.196 17685 5382 1 11 . 1 1 76 76 LYS HA H 401 4.032 4.032 4.117 -0.085 17685 5383 1 11 . 1 1 76 76 LYS C C 401 178.423 178.423 178.395 0.028 17685 5384 1 11 . 1 1 76 76 LYS CA C 401 58.735 58.735 58.322 0.413 17685 5385 1 11 . 1 1 76 76 LYS CB C 401 32.325 32.325 31.630 0.695 17685 5386 1 11 . 1 1 76 76 LYS H H 401 8.260 8.260 7.740 0.520 17685 5387 1 11 . 1 1 77 77 ALA N N 402 118.655 118.655 120.746 -2.091 17685 5388 1 11 . 1 1 77 77 ALA HA H 402 4.205 4.205 4.263 -0.058 17685 5389 1 11 . 1 1 77 77 ALA C C 402 177.949 177.949 177.784 0.165 17685 5390 1 11 . 1 1 77 77 ALA CA C 402 53.673 53.673 53.502 0.171 17685 5391 1 11 . 1 1 77 77 ALA CB C 402 19.018 19.018 19.531 -0.513 17685 5392 1 11 . 1 1 77 77 ALA H H 402 7.564 7.564 7.495 0.069 17685 5393 1 11 . 1 1 78 78 ASN N N 403 113.964 113.964 116.276 -2.312 17685 5394 1 11 . 1 1 78 78 ASN HA H 403 4.841 4.841 4.795 0.046 17685 5395 1 11 . 1 1 78 78 ASN C C 403 174.866 174.866 174.807 0.059 17685 5396 1 11 . 1 1 78 78 ASN CA C 403 52.485 52.485 53.228 -0.743 17685 5397 1 11 . 1 1 78 78 ASN CB C 403 37.659 37.659 39.192 -1.533 17685 5398 1 11 . 1 1 78 78 ASN H H 403 7.397 7.397 7.597 -0.200 17685 5399 1 11 . 1 1 79 79 ALA N N 404 131.057 131.057 127.592 3.465 17685 5400 1 11 . 1 1 79 79 ALA HA H 404 4.160 4.160 4.347 -0.187 17685 5401 1 11 . 1 1 79 79 ALA C C 404 180.575 180.575 178.622 1.953 17685 5402 1 11 . 1 1 79 79 ALA CA C 404 56.271 56.271 54.525 1.746 17685 5403 1 11 . 1 1 79 79 ALA CB C 404 18.357 18.357 18.930 -0.573 17685 5404 1 11 . 1 1 79 79 ALA H H 404 9.143 9.143 8.737 0.406 17685 5405 1 11 . 1 1 80 80 ALA N N 405 117.862 117.862 119.755 -1.893 17685 5406 1 11 . 1 1 80 80 ALA HA H 405 4.362 4.362 4.172 0.190 17685 5407 1 11 . 1 1 80 80 ALA C C 405 179.218 179.218 178.074 1.144 17685 5408 1 11 . 1 1 80 80 ALA CA C 405 53.931 53.931 53.542 0.389 17685 5409 1 11 . 1 1 80 80 ALA CB C 405 18.226 18.226 18.853 -0.627 17685 5410 1 11 . 1 1 80 80 ALA H H 405 8.315 8.315 8.099 0.216 17685 5411 1 11 . 1 1 81 81 GLY N N 406 106.895 106.895 105.365 1.530 17685 5412 1 11 . 1 1 81 81 GLY C C 406 175.175 175.175 174.281 0.894 17685 5413 1 11 . 1 1 81 81 GLY CA C 406 45.363 45.363 43.859 1.504 17685 5414 1 11 . 1 1 81 81 GLY H H 406 7.908 7.908 7.563 0.345 17685 5415 1 11 . 1 1 82 82 ALA N N 407 120.775 120.775 124.675 -3.900 17685 5416 1 11 . 1 1 82 82 ALA HA H 407 3.971 3.971 4.046 -0.075 17685 5417 1 11 . 1 1 82 82 ALA C C 407 177.879 177.879 178.635 -0.756 17685 5418 1 11 . 1 1 82 82 ALA CA C 407 56.076 56.076 55.617 0.459 17685 5419 1 11 . 1 1 82 82 ALA CB C 407 19.120 19.120 18.996 0.124 17685 5420 1 11 . 1 1 82 82 ALA H H 407 7.574 7.574 7.773 -0.199 17685 5421 1 11 . 1 1 83 83 LYS N N 408 117.628 117.628 119.619 -1.991 17685 5422 1 11 . 1 1 83 83 LYS HA H 408 3.352 3.352 3.906 -0.554 17685 5423 1 11 . 1 1 83 83 LYS C C 408 178.064 178.064 178.006 0.058 17685 5424 1 11 . 1 1 83 83 LYS CA C 408 61.404 61.404 59.609 1.795 17685 5425 1 11 . 1 1 83 83 LYS CB C 408 31.311 31.311 31.427 -0.116 17685 5426 1 11 . 1 1 83 83 LYS H H 408 8.755 8.755 8.479 0.276 17685 5427 1 11 . 1 1 84 84 GLU N N 409 116.005 116.005 118.739 -2.734 17685 5428 1 11 . 1 1 84 84 GLU HA H 409 3.994 3.994 4.095 -0.101 17685 5429 1 11 . 1 1 84 84 GLU C C 409 179.508 179.508 178.829 0.679 17685 5430 1 11 . 1 1 84 84 GLU CA C 409 59.300 59.300 59.078 0.222 17685 5431 1 11 . 1 1 84 84 GLU CB C 409 28.978 28.978 28.744 0.235 17685 5432 1 11 . 1 1 84 84 GLU H H 409 7.708 7.708 8.085 -0.377 17685 5433 1 11 . 1 1 85 85 VAL N N 410 120.216 120.216 120.489 -0.273 17685 5434 1 11 . 1 1 85 85 VAL HA H 410 3.786 3.786 3.780 0.006 17685 5435 1 11 . 1 1 85 85 VAL C C 410 179.087 179.087 177.654 1.433 17685 5436 1 11 . 1 1 85 85 VAL CA C 410 66.066 66.066 66.108 -0.042 17685 5437 1 11 . 1 1 85 85 VAL CB C 410 32.060 32.060 31.613 0.447 17685 5438 1 11 . 1 1 85 85 VAL H H 410 7.494 7.494 7.603 -0.109 17685 5439 1 11 . 1 1 86 86 LEU N N 411 121.293 121.293 121.682 -0.389 17685 5440 1 11 . 1 1 86 86 LEU HA H 411 3.871 3.871 3.944 -0.073 17685 5441 1 11 . 1 1 86 86 LEU C C 411 178.844 178.844 179.396 -0.552 17685 5442 1 11 . 1 1 86 86 LEU CA C 411 58.100 58.100 57.684 0.416 17685 5443 1 11 . 1 1 86 86 LEU CB C 411 42.047 42.047 40.997 1.050 17685 5444 1 11 . 1 1 86 86 LEU H H 411 8.371 8.371 8.039 0.332 17685 5445 1 11 . 1 1 87 87 LYS N N 412 119.536 119.536 118.645 0.891 17685 5446 1 11 . 1 1 87 87 LYS HA H 412 4.206 4.206 4.095 0.111 17685 5447 1 11 . 1 1 87 87 LYS C C 412 179.347 179.347 179.004 0.343 17685 5448 1 11 . 1 1 87 87 LYS CA C 412 60.924 60.924 59.938 0.986 17685 5449 1 11 . 1 1 87 87 LYS CB C 412 32.216 32.216 32.046 0.170 17685 5450 1 11 . 1 1 87 87 LYS H H 412 8.818 8.818 8.766 0.052 17685 5451 1 11 . 1 1 88 88 GLU N N 413 120.780 120.780 120.463 0.317 17685 5452 1 11 . 1 1 88 88 GLU HA H 413 4.127 4.127 4.004 0.123 17685 5453 1 11 . 1 1 88 88 GLU C C 413 179.469 179.469 178.536 0.933 17685 5454 1 11 . 1 1 88 88 GLU CA C 413 59.720 59.720 59.591 0.129 17685 5455 1 11 . 1 1 88 88 GLU CB C 413 29.021 29.021 29.361 -0.340 17685 5456 1 11 . 1 1 88 88 GLU H H 413 7.882 7.882 7.750 0.132 17685 5457 1 11 . 1 1 89 89 SER N N 414 116.823 116.823 115.872 0.951 17685 5458 1 11 . 1 1 89 89 SER HA H 414 3.765 3.765 4.149 -0.384 17685 5459 1 11 . 1 1 89 89 SER C C 414 176.091 176.091 176.718 -0.627 17685 5460 1 11 . 1 1 89 89 SER CA C 414 63.550 63.550 61.918 1.632 17685 5461 1 11 . 1 1 89 89 SER CB C 414 63.718 63.718 62.867 0.851 17685 5462 1 11 . 1 1 89 89 SER H H 414 8.296 8.296 8.132 0.164 17685 5463 1 11 . 1 1 90 90 ALA N N 415 123.230 123.230 125.956 -2.726 17685 5464 1 11 . 1 1 90 90 ALA HA H 415 3.831 3.831 3.870 -0.039 17685 5465 1 11 . 1 1 90 90 ALA C C 415 177.963 177.963 179.498 -1.535 17685 5466 1 11 . 1 1 90 90 ALA CA C 415 55.415 55.415 55.413 0.002 17685 5467 1 11 . 1 1 90 90 ALA CB C 415 19.432 19.432 18.396 1.036 17685 5468 1 11 . 1 1 90 90 ALA H H 415 8.805 8.805 8.337 0.468 17685 5469 1 11 . 1 1 91 91 LYS N N 416 117.753 117.753 116.540 1.213 17685 5470 1 11 . 1 1 91 91 LYS HA H 416 3.972 3.972 4.122 -0.150 17685 5471 1 11 . 1 1 91 91 LYS C C 416 178.198 178.198 179.250 -1.052 17685 5472 1 11 . 1 1 91 91 LYS CA C 416 59.817 59.817 58.858 0.959 17685 5473 1 11 . 1 1 91 91 LYS CB C 416 32.247 32.247 31.795 0.452 17685 5474 1 11 . 1 1 91 91 LYS H H 416 8.085 8.085 8.357 -0.272 17685 5475 1 11 . 1 1 92 92 THR N N 417 114.597 114.597 116.742 -2.145 17685 5476 1 11 . 1 1 92 92 THR HA H 417 4.075 4.075 4.181 -0.106 17685 5477 1 11 . 1 1 92 92 THR C C 417 177.541 177.541 176.242 1.299 17685 5478 1 11 . 1 1 92 92 THR CA C 417 66.473 66.473 66.172 0.301 17685 5479 1 11 . 1 1 92 92 THR CB C 417 69.070 69.070 68.421 0.649 17685 5480 1 11 . 1 1 92 92 THR H H 417 7.923 7.923 7.202 0.721 17685 5481 1 11 . 1 1 93 93 ILE N N 418 124.160 124.160 122.991 1.169 17685 5482 1 11 . 1 1 93 93 ILE HA H 418 3.662 3.662 3.714 -0.052 17685 5483 1 11 . 1 1 93 93 ILE C C 418 178.114 178.114 177.669 0.445 17685 5484 1 11 . 1 1 93 93 ILE CA C 418 65.626 65.626 66.220 -0.594 17685 5485 1 11 . 1 1 93 93 ILE CB C 418 38.297 38.297 37.688 0.609 17685 5486 1 11 . 1 1 93 93 ILE H H 418 7.984 7.984 8.381 -0.397 17685 5487 1 11 . 1 1 94 94 VAL N N 419 121.566 121.566 120.081 1.485 17685 5488 1 11 . 1 1 94 94 VAL HA H 419 4.156 4.156 4.101 0.055 17685 5489 1 11 . 1 1 94 94 VAL C C 419 181.424 181.424 178.265 3.159 17685 5490 1 11 . 1 1 94 94 VAL CA C 419 65.808 65.808 65.219 0.589 17685 5491 1 11 . 1 1 94 94 VAL CB C 419 31.892 31.892 32.133 -0.241 17685 5492 1 11 . 1 1 94 94 VAL H H 419 8.551 8.551 7.959 0.592 17685 5493 1 11 . 1 1 95 95 ASP N N 420 123.788 123.788 120.752 3.036 17685 5494 1 11 . 1 1 95 95 ASP HA H 420 4.477 4.477 4.545 -0.068 17685 5495 1 11 . 1 1 95 95 ASP C C 420 178.220 178.220 177.002 1.218 17685 5496 1 11 . 1 1 95 95 ASP CA C 420 57.548 57.548 56.260 1.288 17685 5497 1 11 . 1 1 95 95 ASP CB C 420 39.850 39.850 40.826 -0.976 17685 5498 1 11 . 1 1 95 95 ASP H H 420 9.354 9.354 7.990 1.364 17685 5499 1 11 . 1 1 96 96 SER N N 421 111.960 111.960 112.664 -0.704 17685 5500 1 11 . 1 1 96 96 SER HA H 421 4.526 4.526 4.636 -0.110 17685 5501 1 11 . 1 1 96 96 SER C C 421 175.345 175.345 174.172 1.173 17685 5502 1 11 . 1 1 96 96 SER CA C 421 59.433 59.433 57.953 1.480 17685 5503 1 11 . 1 1 96 96 SER CB C 421 64.264 64.264 64.271 -0.007 17685 5504 1 11 . 1 1 96 96 SER H H 421 7.862 7.862 7.301 0.561 17685 5505 1 11 . 1 1 97 97 GLY N N 422 110.240 110.240 109.594 0.646 17685 5506 1 11 . 1 1 97 97 GLY C C 422 175.158 175.158 175.484 -0.326 17685 5507 1 11 . 1 1 97 97 GLY CA C 422 45.606 45.606 46.357 -0.751 17685 5508 1 11 . 1 1 97 97 GLY H H 422 8.063 8.063 7.626 0.437 17685 5509 1 11 . 1 1 98 98 LYS N N 423 120.213 120.213 118.743 1.470 17685 5510 1 11 . 1 1 98 98 LYS HA H 423 4.083 4.083 4.235 -0.152 17685 5511 1 11 . 1 1 98 98 LYS C C 423 176.681 176.681 176.967 -0.286 17685 5512 1 11 . 1 1 98 98 LYS CA C 423 59.417 59.417 57.452 1.965 17685 5513 1 11 . 1 1 98 98 LYS CB C 423 33.453 33.453 33.233 0.219 17685 5514 1 11 . 1 1 98 98 LYS H H 423 7.992 7.992 8.314 -0.322 17685 5515 1 11 . 1 1 99 99 LEU N N 424 114.357 114.357 119.847 -5.490 17685 5516 1 11 . 1 1 99 99 LEU HA H 424 4.848 4.848 4.807 0.041 17685 5517 1 11 . 1 1 99 99 LEU C C 424 174.161 174.161 174.107 0.054 17685 5518 1 11 . 1 1 99 99 LEU CA C 424 52.225 52.225 51.848 0.377 17685 5519 1 11 . 1 1 99 99 LEU CB C 424 46.075 46.075 44.061 2.014 17685 5520 1 11 . 1 1 99 99 LEU H H 424 6.865 6.865 7.282 -0.417 17685 5521 1 11 . 1 1 100 100 PRO HA H 425 4.650 4.650 4.713 -0.063 17685 5522 1 11 . 1 1 100 100 PRO C C 425 177.559 177.559 178.001 -0.442 17685 5523 1 11 . 1 1 100 100 PRO CA C 425 61.643 61.643 62.483 -0.840 17685 5524 1 11 . 1 1 100 100 PRO CB C 425 32.422 32.422 32.633 -0.211 17685 5525 1 11 . 1 1 101 101 SER N N 426 117.043 117.043 116.812 0.231 17685 5526 1 11 . 1 1 101 101 SER HA H 426 3.824 3.824 4.074 -0.250 17685 5527 1 11 . 1 1 101 101 SER C C 426 177.202 177.202 176.325 0.877 17685 5528 1 11 . 1 1 101 101 SER CA C 426 61.708 61.708 61.134 0.574 17685 5529 1 11 . 1 1 101 101 SER CB C 426 62.706 62.706 62.970 -0.264 17685 5530 1 11 . 1 1 101 101 SER H H 426 8.999 8.999 8.780 0.219 17685 5531 1 11 . 1 1 102 102 SER N N 427 114.761 114.761 115.797 -1.036 17685 5532 1 11 . 1 1 102 102 SER HA H 427 4.112 4.112 4.277 -0.165 17685 5533 1 11 . 1 1 102 102 SER C C 427 176.526 176.526 176.360 0.166 17685 5534 1 11 . 1 1 102 102 SER CA C 427 60.650 60.650 61.080 -0.430 17685 5535 1 11 . 1 1 102 102 SER CB C 427 62.213 62.213 62.955 -0.742 17685 5536 1 11 . 1 1 102 102 SER H H 427 8.115 8.115 8.225 -0.110 17685 5537 1 11 . 1 1 103 103 LEU N N 428 120.408 120.408 119.568 0.840 17685 5538 1 11 . 1 1 103 103 LEU HA H 428 4.435 4.435 4.290 0.144 17685 5539 1 11 . 1 1 103 103 LEU C C 428 176.698 176.698 175.975 0.723 17685 5540 1 11 . 1 1 103 103 LEU CA C 428 55.847 55.847 55.915 -0.068 17685 5541 1 11 . 1 1 103 103 LEU CB C 428 42.586 42.586 42.532 0.054 17685 5542 1 11 . 1 1 103 103 LEU H H 428 7.320 7.320 7.702 -0.382 17685 5543 1 11 . 1 1 104 104 LEU N N 429 117.860 117.860 116.390 1.470 17685 5544 1 11 . 1 1 104 104 LEU HA H 429 4.995 4.995 4.849 0.146 17685 5545 1 11 . 1 1 104 104 LEU C C 429 178.320 178.320 176.837 1.483 17685 5546 1 11 . 1 1 104 104 LEU CA C 429 52.672 52.672 53.496 -0.824 17685 5547 1 11 . 1 1 104 104 LEU CB C 429 43.039 43.039 40.929 2.110 17685 5548 1 11 . 1 1 104 104 LEU H H 429 7.325 7.325 7.388 -0.063 17685 5549 1 11 . 1 1 105 105 SER N N 430 112.664 112.664 116.578 -3.914 17685 5550 1 11 . 1 1 105 105 SER HA H 430 4.259 4.259 4.302 -0.043 17685 5551 1 11 . 1 1 105 105 SER C C 430 175.288 175.288 175.140 0.148 17685 5552 1 11 . 1 1 105 105 SER CA C 430 61.247 61.247 60.856 0.391 17685 5553 1 11 . 1 1 105 105 SER CB C 430 64.058 64.058 63.114 0.945 17685 5554 1 11 . 1 1 105 105 SER H H 430 6.990 6.990 8.178 -1.188 17685 5555 1 11 . 1 1 106 106 TYR N N 431 125.624 125.624 121.099 4.525 17685 5556 1 11 . 1 1 106 106 TYR HA H 431 4.060 4.060 4.224 -0.164 17685 5557 1 11 . 1 1 106 106 TYR C C 431 176.064 176.064 175.528 0.536 17685 5558 1 11 . 1 1 106 106 TYR CA C 431 61.449 61.449 60.783 0.666 17685 5559 1 11 . 1 1 106 106 TYR CB C 431 38.282 38.282 39.552 -1.270 17685 5560 1 11 . 1 1 106 106 TYR H H 431 10.433 10.433 8.316 2.117 17685 5561 1 11 . 1 1 107 107 PHE N N 432 113.203 113.203 114.845 -1.642 17685 5562 1 11 . 1 1 107 107 PHE HA H 432 4.314 4.314 4.437 -0.123 17685 5563 1 11 . 1 1 107 107 PHE C C 432 173.901 173.901 175.947 -2.046 17685 5564 1 11 . 1 1 107 107 PHE CA C 432 59.810 59.810 59.861 -0.051 17685 5565 1 11 . 1 1 107 107 PHE CB C 432 43.249 43.249 40.235 3.014 17685 5566 1 11 . 1 1 107 107 PHE H H 432 7.955 7.955 7.760 0.195 17685 5567 1 12 . 1 1 22 22 SER N N 347 116.741 116.741 114.098 2.643 17685 5568 1 12 . 1 1 22 22 SER HA H 347 4.355 4.355 4.678 -0.323 17685 5569 1 12 . 1 1 22 22 SER C C 347 176.272 176.272 174.359 1.913 17685 5570 1 12 . 1 1 22 22 SER CA C 347 59.651 59.651 57.629 2.022 17685 5571 1 12 . 1 1 22 22 SER CB C 347 63.231 63.231 66.460 -3.229 17685 5572 1 12 . 1 1 22 22 SER H H 347 8.311 8.311 7.950 0.361 17685 5573 1 12 . 1 1 23 23 LYS N N 348 124.398 124.398 123.073 1.325 17685 5574 1 12 . 1 1 23 23 LYS HA H 348 4.142 4.142 4.225 -0.083 17685 5575 1 12 . 1 1 23 23 LYS C C 348 178.743 178.743 178.383 0.360 17685 5576 1 12 . 1 1 23 23 LYS CA C 348 59.304 59.304 58.615 0.689 17685 5577 1 12 . 1 1 23 23 LYS CB C 348 32.301 32.301 32.236 0.065 17685 5578 1 12 . 1 1 23 23 LYS H H 348 8.611 8.611 8.667 -0.056 17685 5579 1 12 . 1 1 24 24 ALA N N 349 122.494 122.494 122.227 0.267 17685 5580 1 12 . 1 1 24 24 ALA HA H 349 4.137 4.137 4.195 -0.058 17685 5581 1 12 . 1 1 24 24 ALA C C 349 179.869 179.869 179.695 0.174 17685 5582 1 12 . 1 1 24 24 ALA CA C 349 54.811 54.811 54.657 0.154 17685 5583 1 12 . 1 1 24 24 ALA CB C 349 18.284 18.284 17.936 0.348 17685 5584 1 12 . 1 1 24 24 ALA H H 349 8.245 8.245 8.346 -0.101 17685 5585 1 12 . 1 1 25 25 ALA N N 350 121.576 121.576 121.664 -0.088 17685 5586 1 12 . 1 1 25 25 ALA HA H 350 4.136 4.136 4.001 0.135 17685 5587 1 12 . 1 1 25 25 ALA C C 350 178.743 178.743 179.609 -0.866 17685 5588 1 12 . 1 1 25 25 ALA CA C 350 54.632 54.632 54.672 -0.040 17685 5589 1 12 . 1 1 25 25 ALA CB C 350 18.299 18.299 18.266 0.033 17685 5590 1 12 . 1 1 25 25 ALA H H 350 8.014 8.014 8.235 -0.221 17685 5591 1 12 . 1 1 26 26 LYS N N 351 119.618 119.618 119.365 0.253 17685 5592 1 12 . 1 1 26 26 LYS HA H 351 4.196 4.196 3.868 0.328 17685 5593 1 12 . 1 1 26 26 LYS C C 351 178.485 178.485 179.136 -0.651 17685 5594 1 12 . 1 1 26 26 LYS CA C 351 60.014 60.014 59.959 0.055 17685 5595 1 12 . 1 1 26 26 LYS CB C 351 32.511 32.511 32.273 0.238 17685 5596 1 12 . 1 1 26 26 LYS H H 351 7.831 7.831 8.032 -0.201 17685 5597 1 12 . 1 1 27 27 LYS N N 352 118.080 118.080 117.855 0.225 17685 5598 1 12 . 1 1 27 27 LYS HA H 352 3.958 3.958 3.937 0.021 17685 5599 1 12 . 1 1 27 27 LYS C C 352 179.564 179.564 178.668 0.896 17685 5600 1 12 . 1 1 27 27 LYS CA C 352 60.092 60.092 59.951 0.141 17685 5601 1 12 . 1 1 27 27 LYS CB C 352 32.550 32.550 32.242 0.308 17685 5602 1 12 . 1 1 27 27 LYS H H 352 7.905 7.905 7.984 -0.079 17685 5603 1 12 . 1 1 28 28 LYS N N 353 119.878 119.878 119.753 0.125 17685 5604 1 12 . 1 1 28 28 LYS HA H 353 4.023 4.023 3.970 0.053 17685 5605 1 12 . 1 1 28 28 LYS C C 353 179.270 179.270 178.985 0.285 17685 5606 1 12 . 1 1 28 28 LYS CA C 353 59.806 59.806 59.480 0.326 17685 5607 1 12 . 1 1 28 28 LYS CB C 353 32.324 32.324 32.350 -0.026 17685 5608 1 12 . 1 1 28 28 LYS H H 353 7.934 7.934 7.906 0.028 17685 5609 1 12 . 1 1 29 29 ASN N N 354 119.780 119.780 117.808 1.972 17685 5610 1 12 . 1 1 29 29 ASN HA H 354 4.557 4.557 4.518 0.039 17685 5611 1 12 . 1 1 29 29 ASN C C 354 177.395 177.395 177.644 -0.249 17685 5612 1 12 . 1 1 29 29 ASN CA C 354 56.167 56.167 55.522 0.645 17685 5613 1 12 . 1 1 29 29 ASN CB C 354 37.928 37.928 38.075 -0.147 17685 5614 1 12 . 1 1 29 29 ASN H H 354 8.524 8.524 8.480 0.044 17685 5615 1 12 . 1 1 30 30 LYS N N 355 118.850 118.850 120.675 -1.825 17685 5616 1 12 . 1 1 30 30 LYS HA H 355 3.820 3.820 3.915 -0.095 17685 5617 1 12 . 1 1 30 30 LYS C C 355 178.266 178.266 178.682 -0.416 17685 5618 1 12 . 1 1 30 30 LYS CA C 355 61.698 61.698 60.175 1.522 17685 5619 1 12 . 1 1 30 30 LYS CB C 355 33.000 33.000 32.334 0.666 17685 5620 1 12 . 1 1 30 30 LYS H H 355 8.599 8.599 8.474 0.125 17685 5621 1 12 . 1 1 31 31 ARG N N 356 118.226 118.226 117.886 0.340 17685 5622 1 12 . 1 1 31 31 ARG HA H 356 3.940 3.940 4.044 -0.104 17685 5623 1 12 . 1 1 31 31 ARG C C 356 177.676 177.676 178.200 -0.524 17685 5624 1 12 . 1 1 31 31 ARG CA C 356 59.316 59.316 59.279 0.037 17685 5625 1 12 . 1 1 31 31 ARG CB C 356 30.266 30.266 29.612 0.654 17685 5626 1 12 . 1 1 31 31 ARG H H 356 7.809 7.809 8.088 -0.279 17685 5627 1 12 . 1 1 32 32 ALA N N 357 120.780 120.780 123.114 -2.334 17685 5628 1 12 . 1 1 32 32 ALA HA H 357 4.104 4.104 4.022 0.082 17685 5629 1 12 . 1 1 32 32 ALA C C 357 181.157 181.157 179.659 1.498 17685 5630 1 12 . 1 1 32 32 ALA CA C 357 55.118 55.118 55.017 0.100 17685 5631 1 12 . 1 1 32 32 ALA CB C 357 18.064 18.064 18.590 -0.527 17685 5632 1 12 . 1 1 32 32 ALA H H 357 8.155 8.155 7.908 0.247 17685 5633 1 12 . 1 1 33 33 ILE N N 358 116.468 116.468 118.432 -1.964 17685 5634 1 12 . 1 1 33 33 ILE HA H 358 3.590 3.590 3.663 -0.073 17685 5635 1 12 . 1 1 33 33 ILE C C 358 179.458 179.458 179.017 0.441 17685 5636 1 12 . 1 1 33 33 ILE CA C 358 65.775 65.775 65.115 0.660 17685 5637 1 12 . 1 1 33 33 ILE CB C 358 38.592 38.592 37.815 0.777 17685 5638 1 12 . 1 1 33 33 ILE H H 358 7.929 7.929 8.052 -0.123 17685 5639 1 12 . 1 1 34 34 ARG N N 359 119.937 119.937 119.814 0.123 17685 5640 1 12 . 1 1 34 34 ARG HA H 359 3.998 3.998 3.942 0.056 17685 5641 1 12 . 1 1 34 34 ARG C C 359 179.124 179.124 178.841 0.283 17685 5642 1 12 . 1 1 34 34 ARG CA C 359 60.029 60.029 59.888 0.141 17685 5643 1 12 . 1 1 34 34 ARG CB C 359 30.576 30.576 30.049 0.527 17685 5644 1 12 . 1 1 34 34 ARG H H 359 8.672 8.672 8.007 0.665 17685 5645 1 12 . 1 1 35 35 ASN N N 360 116.359 116.359 117.636 -1.277 17685 5646 1 12 . 1 1 35 35 ASN HA H 360 4.575 4.575 4.503 0.072 17685 5647 1 12 . 1 1 35 35 ASN C C 360 175.723 175.723 176.743 -1.020 17685 5648 1 12 . 1 1 35 35 ASN CA C 360 54.215 54.215 55.323 -1.108 17685 5649 1 12 . 1 1 35 35 ASN CB C 360 38.575 38.575 37.814 0.761 17685 5650 1 12 . 1 1 35 35 ASN H H 360 8.454 8.454 8.718 -0.264 17685 5651 1 12 . 1 1 36 36 SER N N 361 115.734 115.734 117.192 -1.458 17685 5652 1 12 . 1 1 36 36 SER HA H 361 3.995 3.995 4.141 -0.146 17685 5653 1 12 . 1 1 36 36 SER C C 361 176.129 176.129 175.719 0.410 17685 5654 1 12 . 1 1 36 36 SER CA C 361 62.349 62.349 62.008 0.341 17685 5655 1 12 . 1 1 36 36 SER CB C 361 63.664 63.664 62.884 0.780 17685 5656 1 12 . 1 1 36 36 SER H H 361 7.617 7.617 7.687 -0.070 17685 5657 1 12 . 1 1 37 37 ALA N N 362 124.421 124.421 122.422 1.999 17685 5658 1 12 . 1 1 37 37 ALA HA H 362 3.770 3.770 3.740 0.030 17685 5659 1 12 . 1 1 37 37 ALA C C 362 178.482 178.482 177.688 0.794 17685 5660 1 12 . 1 1 37 37 ALA CA C 362 54.821 54.821 53.725 1.096 17685 5661 1 12 . 1 1 37 37 ALA CB C 362 18.347 18.347 18.239 0.108 17685 5662 1 12 . 1 1 37 37 ALA H H 362 6.868 6.868 7.596 -0.728 17685 5663 1 12 . 1 1 38 38 LYS N N 363 122.319 122.319 117.389 4.930 17685 5664 1 12 . 1 1 38 38 LYS HA H 363 2.913 2.913 3.935 -1.022 17685 5665 1 12 . 1 1 38 38 LYS C C 363 180.669 180.669 179.191 1.478 17685 5666 1 12 . 1 1 38 38 LYS CA C 363 59.567 59.567 58.617 0.950 17685 5667 1 12 . 1 1 38 38 LYS CB C 363 31.563 31.563 32.415 -0.852 17685 5668 1 12 . 1 1 38 38 LYS H H 363 8.317 8.317 7.438 0.879 17685 5669 1 12 . 1 1 39 39 GLU N N 364 118.666 118.666 118.584 0.082 17685 5670 1 12 . 1 1 39 39 GLU HA H 364 4.015 4.015 4.167 -0.152 17685 5671 1 12 . 1 1 39 39 GLU C C 364 176.609 176.609 178.407 -1.798 17685 5672 1 12 . 1 1 39 39 GLU CA C 364 58.674 58.674 58.469 0.205 17685 5673 1 12 . 1 1 39 39 GLU CB C 364 29.058 29.058 29.964 -0.906 17685 5674 1 12 . 1 1 39 39 GLU H H 364 7.935 7.935 7.636 0.299 17685 5675 1 12 . 1 1 40 40 ALA N N 365 121.145 121.145 119.621 1.524 17685 5676 1 12 . 1 1 40 40 ALA HA H 365 4.663 4.663 4.501 0.162 17685 5677 1 12 . 1 1 40 40 ALA C C 365 177.688 177.688 175.840 1.848 17685 5678 1 12 . 1 1 40 40 ALA CA C 365 50.931 50.931 51.107 -0.176 17685 5679 1 12 . 1 1 40 40 ALA CB C 365 18.566 18.566 19.550 -0.984 17685 5680 1 12 . 1 1 40 40 ALA H H 365 7.049 7.049 7.922 -0.873 17685 5681 1 12 . 1 1 41 41 ASP N N 366 121.103 121.103 116.347 4.756 17685 5682 1 12 . 1 1 41 41 ASP HA H 366 4.338 4.338 4.157 0.181 17685 5683 1 12 . 1 1 41 41 ASP C C 366 175.644 175.644 175.019 0.625 17685 5684 1 12 . 1 1 41 41 ASP CA C 366 55.898 55.898 54.534 1.364 17685 5685 1 12 . 1 1 41 41 ASP CB C 366 39.353 39.353 40.946 -1.593 17685 5686 1 12 . 1 1 41 41 ASP H H 366 8.099 8.099 7.116 0.983 17685 5687 1 12 . 1 1 42 42 TYR N N 367 110.700 110.700 120.064 -9.364 17685 5688 1 12 . 1 1 42 42 TYR HA H 367 2.485 2.485 3.955 -1.470 17685 5689 1 12 . 1 1 42 42 TYR C C 367 174.307 174.307 176.003 -1.696 17685 5690 1 12 . 1 1 42 42 TYR CA C 367 61.064 61.064 58.335 2.729 17685 5691 1 12 . 1 1 42 42 TYR CB C 367 34.242 34.242 38.114 -3.872 17685 5692 1 12 . 1 1 42 42 TYR H H 367 8.364 8.364 8.765 -0.401 17685 5693 1 12 . 1 1 43 43 PHE N N 368 111.305 111.305 116.342 -5.037 17685 5694 1 12 . 1 1 43 43 PHE HA H 368 4.666 4.666 4.216 0.450 17685 5695 1 12 . 1 1 43 43 PHE C C 368 177.162 177.162 176.117 1.045 17685 5696 1 12 . 1 1 43 43 PHE CA C 368 56.561 56.561 58.825 -2.264 17685 5697 1 12 . 1 1 43 43 PHE CB C 368 36.514 36.514 35.727 0.787 17685 5698 1 12 . 1 1 43 43 PHE H H 368 7.666 7.666 7.879 -0.213 17685 5699 1 12 . 1 1 44 44 GLY N N 369 106.300 106.300 105.442 0.858 17685 5700 1 12 . 1 1 44 44 GLY C C 369 174.446 174.446 174.602 -0.156 17685 5701 1 12 . 1 1 44 44 GLY CA C 369 45.780 45.780 45.067 0.713 17685 5702 1 12 . 1 1 44 44 GLY H H 369 7.671 7.671 8.262 -0.591 17685 5703 1 12 . 1 1 45 45 ASP N N 370 122.876 122.876 120.839 2.037 17685 5704 1 12 . 1 1 45 45 ASP HA H 370 5.323 5.323 4.869 0.454 17685 5705 1 12 . 1 1 45 45 ASP C C 370 176.360 176.360 176.123 0.237 17685 5706 1 12 . 1 1 45 45 ASP CA C 370 53.322 53.322 53.919 -0.597 17685 5707 1 12 . 1 1 45 45 ASP CB C 370 41.391 41.391 41.478 -0.088 17685 5708 1 12 . 1 1 45 45 ASP H H 370 8.331 8.331 8.032 0.299 17685 5709 1 12 . 1 1 46 46 ALA N N 371 121.771 121.771 123.394 -1.623 17685 5710 1 12 . 1 1 46 46 ALA HA H 371 3.600 3.600 3.594 0.006 17685 5711 1 12 . 1 1 46 46 ALA C C 371 179.111 179.111 178.170 0.941 17685 5712 1 12 . 1 1 46 46 ALA CA C 371 56.038 56.038 54.414 1.624 17685 5713 1 12 . 1 1 46 46 ALA CB C 371 17.942 17.942 18.581 -0.638 17685 5714 1 12 . 1 1 46 46 ALA H H 371 8.282 8.282 8.374 -0.092 17685 5715 1 12 . 1 1 47 47 ASP N N 372 116.273 116.273 116.868 -0.595 17685 5716 1 12 . 1 1 47 47 ASP HA H 372 4.359 4.359 4.431 -0.072 17685 5717 1 12 . 1 1 47 47 ASP C C 372 177.019 177.019 177.063 -0.044 17685 5718 1 12 . 1 1 47 47 ASP CA C 372 55.832 55.832 56.027 -0.195 17685 5719 1 12 . 1 1 47 47 ASP CB C 372 39.190 39.190 40.633 -1.444 17685 5720 1 12 . 1 1 47 47 ASP H H 372 9.068 9.068 8.621 0.447 17685 5721 1 12 . 1 1 48 48 LYS N N 373 120.180 120.180 116.678 3.502 17685 5722 1 12 . 1 1 48 48 LYS HA H 373 4.723 4.723 4.638 0.085 17685 5723 1 12 . 1 1 48 48 LYS C C 373 175.542 175.542 176.216 -0.674 17685 5724 1 12 . 1 1 48 48 LYS CA C 373 54.787 54.787 55.268 -0.481 17685 5725 1 12 . 1 1 48 48 LYS CB C 373 32.179 32.179 31.992 0.187 17685 5726 1 12 . 1 1 48 48 LYS H H 373 8.050 8.050 7.571 0.479 17685 5727 1 12 . 1 1 49 49 ALA N N 374 122.498 122.498 123.774 -1.276 17685 5728 1 12 . 1 1 49 49 ALA HA H 374 3.068 3.068 3.918 -0.850 17685 5729 1 12 . 1 1 49 49 ALA C C 374 177.781 177.781 179.148 -1.367 17685 5730 1 12 . 1 1 49 49 ALA CA C 374 56.962 56.962 56.097 0.865 17685 5731 1 12 . 1 1 49 49 ALA CB C 374 17.855 17.855 18.027 -0.172 17685 5732 1 12 . 1 1 49 49 ALA H H 374 7.045 7.045 7.299 -0.254 17685 5733 1 12 . 1 1 50 50 THR N N 375 108.573 108.573 112.674 -4.101 17685 5734 1 12 . 1 1 50 50 THR HA H 375 4.044 4.044 4.012 0.032 17685 5735 1 12 . 1 1 50 50 THR C C 375 177.647 177.647 176.567 1.080 17685 5736 1 12 . 1 1 50 50 THR CA C 375 66.201 66.201 67.583 -1.382 17685 5737 1 12 . 1 1 50 50 THR CB C 375 68.334 68.334 68.082 0.252 17685 5738 1 12 . 1 1 50 50 THR H H 375 8.285 8.285 8.362 -0.077 17685 5739 1 12 . 1 1 51 51 THR N N 376 120.018 120.018 119.428 0.590 17685 5740 1 12 . 1 1 51 51 THR HA H 376 4.147 4.147 4.067 0.080 17685 5741 1 12 . 1 1 51 51 THR C C 376 175.499 175.499 176.352 -0.853 17685 5742 1 12 . 1 1 51 51 THR CA C 376 66.145 66.145 66.860 -0.715 17685 5743 1 12 . 1 1 51 51 THR CB C 376 69.382 69.382 68.301 1.081 17685 5744 1 12 . 1 1 51 51 THR H H 376 7.359 7.359 7.399 -0.040 17685 5745 1 12 . 1 1 52 52 ILE N N 377 122.319 122.319 122.540 -0.221 17685 5746 1 12 . 1 1 52 52 ILE HA H 377 3.168 3.168 3.578 -0.410 17685 5747 1 12 . 1 1 52 52 ILE C C 377 177.879 177.879 177.455 0.424 17685 5748 1 12 . 1 1 52 52 ILE CA C 377 67.070 67.070 65.946 1.124 17685 5749 1 12 . 1 1 52 52 ILE CB C 377 38.257 38.257 37.740 0.517 17685 5750 1 12 . 1 1 52 52 ILE H H 377 8.346 8.346 8.357 -0.011 17685 5751 1 12 . 1 1 53 53 ASP N N 378 117.696 117.696 119.988 -2.292 17685 5752 1 12 . 1 1 53 53 ASP HA H 378 4.739 4.739 4.301 0.438 17685 5753 1 12 . 1 1 53 53 ASP C C 378 180.094 180.094 178.165 1.929 17685 5754 1 12 . 1 1 53 53 ASP CA C 378 58.044 58.044 58.118 -0.074 17685 5755 1 12 . 1 1 53 53 ASP CB C 378 39.648 39.648 40.858 -1.210 17685 5756 1 12 . 1 1 53 53 ASP H H 378 8.991 8.991 8.491 0.500 17685 5757 1 12 . 1 1 54 54 GLU N N 379 121.956 121.956 120.446 1.510 17685 5758 1 12 . 1 1 54 54 GLU HA H 379 4.174 4.174 3.860 0.314 17685 5759 1 12 . 1 1 54 54 GLU C C 379 179.679 179.679 179.116 0.563 17685 5760 1 12 . 1 1 54 54 GLU CA C 379 59.572 59.572 59.656 -0.084 17685 5761 1 12 . 1 1 54 54 GLU CB C 379 29.324 29.324 29.707 -0.383 17685 5762 1 12 . 1 1 54 54 GLU H H 379 7.946 7.946 8.191 -0.245 17685 5763 1 12 . 1 1 55 55 GLN N N 380 120.733 120.733 119.190 1.543 17685 5764 1 12 . 1 1 55 55 GLN HA H 380 4.171 4.171 4.116 0.055 17685 5765 1 12 . 1 1 55 55 GLN C C 380 178.288 178.288 178.868 -0.580 17685 5766 1 12 . 1 1 55 55 GLN CA C 380 59.994 59.994 58.991 1.003 17685 5767 1 12 . 1 1 55 55 GLN CB C 380 29.566 29.566 29.260 0.306 17685 5768 1 12 . 1 1 55 55 GLN H H 380 8.357 8.357 8.257 0.100 17685 5769 1 12 . 1 1 56 56 VAL N N 381 120.353 120.353 119.475 0.878 17685 5770 1 12 . 1 1 56 56 VAL HA H 381 3.536 3.536 3.512 0.024 17685 5771 1 12 . 1 1 56 56 VAL C C 381 178.220 178.220 178.272 -0.052 17685 5772 1 12 . 1 1 56 56 VAL CA C 381 67.557 67.557 66.477 1.080 17685 5773 1 12 . 1 1 56 56 VAL CB C 381 31.349 31.349 30.692 0.658 17685 5774 1 12 . 1 1 56 56 VAL H H 381 9.484 9.484 8.742 0.742 17685 5775 1 12 . 1 1 57 57 GLY N N 382 106.926 106.926 108.262 -1.336 17685 5776 1 12 . 1 1 57 57 GLY C C 382 174.843 174.843 176.229 -1.386 17685 5777 1 12 . 1 1 57 57 GLY CA C 382 47.694 47.694 47.300 0.394 17685 5778 1 12 . 1 1 57 57 GLY H H 382 8.169 8.169 8.359 -0.190 17685 5779 1 12 . 1 1 58 58 LEU N N 383 120.610 120.610 122.847 -2.237 17685 5780 1 12 . 1 1 58 58 LEU HA H 383 4.151 4.151 3.927 0.224 17685 5781 1 12 . 1 1 58 58 LEU C C 383 180.087 180.087 179.245 0.842 17685 5782 1 12 . 1 1 58 58 LEU CA C 383 57.974 57.974 57.876 0.098 17685 5783 1 12 . 1 1 58 58 LEU CB C 383 42.125 42.125 41.618 0.507 17685 5784 1 12 . 1 1 58 58 LEU H H 383 7.568 7.568 8.256 -0.688 17685 5785 1 12 . 1 1 59 59 ILE N N 384 120.213 120.213 119.337 0.876 17685 5786 1 12 . 1 1 59 59 ILE HA H 384 3.416 3.416 3.560 -0.144 17685 5787 1 12 . 1 1 59 59 ILE C C 384 178.310 178.310 178.033 0.277 17685 5788 1 12 . 1 1 59 59 ILE CA C 384 66.069 66.069 65.647 0.422 17685 5789 1 12 . 1 1 59 59 ILE CB C 384 38.233 38.233 37.659 0.574 17685 5790 1 12 . 1 1 59 59 ILE H H 384 8.057 8.057 8.026 0.031 17685 5791 1 12 . 1 1 60 60 VAL N N 385 115.546 115.546 114.652 0.894 17685 5792 1 12 . 1 1 60 60 VAL HA H 385 3.560 3.560 3.635 -0.075 17685 5793 1 12 . 1 1 60 60 VAL C C 385 177.921 177.921 177.044 0.877 17685 5794 1 12 . 1 1 60 60 VAL CA C 385 66.702 66.702 65.541 1.161 17685 5795 1 12 . 1 1 60 60 VAL CB C 385 31.565 31.565 31.655 -0.090 17685 5796 1 12 . 1 1 60 60 VAL H H 385 8.672 8.672 8.008 0.664 17685 5797 1 12 . 1 1 61 61 ASP N N 386 117.831 117.831 119.181 -1.350 17685 5798 1 12 . 1 1 61 61 ASP HA H 386 4.571 4.571 4.581 -0.010 17685 5799 1 12 . 1 1 61 61 ASP C C 386 177.238 177.238 178.130 -0.892 17685 5800 1 12 . 1 1 61 61 ASP CA C 386 56.184 56.184 56.431 -0.247 17685 5801 1 12 . 1 1 61 61 ASP CB C 386 40.632 40.632 41.373 -0.742 17685 5802 1 12 . 1 1 61 61 ASP H H 386 7.988 7.988 8.319 -0.331 17685 5803 1 12 . 1 1 62 62 SER N N 387 114.761 114.761 116.004 -1.243 17685 5804 1 12 . 1 1 62 62 SER HA H 387 4.577 4.577 4.409 0.168 17685 5805 1 12 . 1 1 62 62 SER C C 387 173.645 173.645 174.399 -0.754 17685 5806 1 12 . 1 1 62 62 SER CA C 387 59.694 59.694 60.584 -0.890 17685 5807 1 12 . 1 1 62 62 SER CB C 387 64.588 64.588 64.019 0.569 17685 5808 1 12 . 1 1 62 62 SER H H 387 7.755 7.755 7.749 0.006 17685 5809 1 12 . 1 1 63 63 LEU N N 388 121.610 121.610 121.253 0.357 17685 5810 1 12 . 1 1 63 63 LEU HA H 388 4.506 4.506 4.204 0.302 17685 5811 1 12 . 1 1 63 63 LEU C C 388 177.071 177.071 175.015 2.056 17685 5812 1 12 . 1 1 63 63 LEU CA C 388 54.490 54.490 54.605 -0.115 17685 5813 1 12 . 1 1 63 63 LEU CB C 388 42.414 42.414 42.676 -0.262 17685 5814 1 12 . 1 1 63 63 LEU H H 388 7.083 7.083 7.556 -0.473 17685 5815 1 12 . 1 1 64 64 ASN N N 389 122.154 122.154 115.236 6.918 17685 5816 1 12 . 1 1 64 64 ASN HA H 389 4.748 4.748 4.856 -0.108 17685 5817 1 12 . 1 1 64 64 ASN C C 389 175.144 175.144 175.511 -0.367 17685 5818 1 12 . 1 1 64 64 ASN CA C 389 51.898 51.898 51.028 0.870 17685 5819 1 12 . 1 1 64 64 ASN CB C 389 37.762 37.762 39.821 -2.059 17685 5820 1 12 . 1 1 64 64 ASN H H 389 9.587 9.587 8.075 1.512 17685 5821 1 12 . 1 1 65 65 ASP N N 390 116.882 116.882 119.016 -2.134 17685 5822 1 12 . 1 1 65 65 ASP HA H 390 4.288 4.288 4.188 0.100 17685 5823 1 12 . 1 1 65 65 ASP C C 390 178.601 178.601 178.013 0.588 17685 5824 1 12 . 1 1 65 65 ASP CA C 390 58.992 58.992 57.767 1.225 17685 5825 1 12 . 1 1 65 65 ASP CB C 390 40.168 40.168 40.548 -0.381 17685 5826 1 12 . 1 1 65 65 ASP H H 390 8.504 8.504 8.761 -0.257 17685 5827 1 12 . 1 1 66 66 GLU N N 391 119.807 119.807 119.102 0.705 17685 5828 1 12 . 1 1 66 66 GLU HA H 391 4.048 4.048 4.049 -0.001 17685 5829 1 12 . 1 1 66 66 GLU C C 391 179.549 179.549 178.868 0.681 17685 5830 1 12 . 1 1 66 66 GLU CA C 391 59.943 59.943 59.375 0.568 17685 5831 1 12 . 1 1 66 66 GLU CB C 391 29.119 29.119 29.527 -0.408 17685 5832 1 12 . 1 1 66 66 GLU H H 391 8.318 8.318 8.594 -0.276 17685 5833 1 12 . 1 1 67 67 GLU N N 392 121.747 121.747 119.227 2.520 17685 5834 1 12 . 1 1 67 67 GLU HA H 392 4.151 4.151 4.186 -0.035 17685 5835 1 12 . 1 1 67 67 GLU C C 392 180.544 180.544 179.163 1.381 17685 5836 1 12 . 1 1 67 67 GLU CA C 392 58.307 58.307 58.011 0.296 17685 5837 1 12 . 1 1 67 67 GLU CB C 392 30.933 30.933 29.389 1.544 17685 5838 1 12 . 1 1 67 67 GLU H H 392 8.709 8.709 7.881 0.828 17685 5839 1 12 . 1 1 68 68 LEU N N 393 123.523 123.523 121.059 2.464 17685 5840 1 12 . 1 1 68 68 LEU HA H 393 3.923 3.923 4.008 -0.085 17685 5841 1 12 . 1 1 68 68 LEU C C 393 178.151 178.151 179.430 -1.279 17685 5842 1 12 . 1 1 68 68 LEU CA C 393 58.642 58.642 58.118 0.524 17685 5843 1 12 . 1 1 68 68 LEU CB C 393 42.304 42.304 41.526 0.778 17685 5844 1 12 . 1 1 68 68 LEU H H 393 8.930 8.930 8.492 0.438 17685 5845 1 12 . 1 1 69 69 VAL N N 394 118.071 118.071 118.286 -0.215 17685 5846 1 12 . 1 1 69 69 VAL HA H 394 3.527 3.527 3.512 0.015 17685 5847 1 12 . 1 1 69 69 VAL C C 394 177.701 177.701 177.885 -0.184 17685 5848 1 12 . 1 1 69 69 VAL CA C 394 66.494 66.494 66.733 -0.239 17685 5849 1 12 . 1 1 69 69 VAL CB C 394 32.103 32.103 31.288 0.815 17685 5850 1 12 . 1 1 69 69 VAL H H 394 7.304 7.304 7.686 -0.382 17685 5851 1 12 . 1 1 70 70 SER N N 395 112.686 112.686 115.810 -3.124 17685 5852 1 12 . 1 1 70 70 SER HA H 395 4.238 4.238 4.102 0.136 17685 5853 1 12 . 1 1 70 70 SER C C 395 177.618 177.618 176.782 0.836 17685 5854 1 12 . 1 1 70 70 SER CA C 395 61.410 61.410 62.018 -0.608 17685 5855 1 12 . 1 1 70 70 SER CB C 395 63.002 63.002 63.065 -0.063 17685 5856 1 12 . 1 1 70 70 SER H H 395 7.906 7.906 7.620 0.286 17685 5857 1 12 . 1 1 71 71 THR N N 396 118.003 118.003 114.221 3.782 17685 5858 1 12 . 1 1 71 71 THR HA H 396 3.767 3.767 4.022 -0.256 17685 5859 1 12 . 1 1 71 71 THR C C 396 175.404 175.404 176.546 -1.142 17685 5860 1 12 . 1 1 71 71 THR CA C 396 67.763 67.763 65.465 2.298 17685 5861 1 12 . 1 1 71 71 THR CB C 396 68.498 68.498 68.837 -0.339 17685 5862 1 12 . 1 1 71 71 THR H H 396 8.511 8.511 8.251 0.260 17685 5863 1 12 . 1 1 72 72 ALA N N 397 123.373 123.373 124.671 -1.298 17685 5864 1 12 . 1 1 72 72 ALA HA H 397 3.857 3.857 3.975 -0.118 17685 5865 1 12 . 1 1 72 72 ALA C C 397 180.173 180.173 178.893 1.280 17685 5866 1 12 . 1 1 72 72 ALA CA C 397 56.079 56.079 54.849 1.230 17685 5867 1 12 . 1 1 72 72 ALA CB C 397 17.767 17.767 18.396 -0.629 17685 5868 1 12 . 1 1 72 72 ALA H H 397 8.268 8.268 7.977 0.291 17685 5869 1 12 . 1 1 73 73 ASP N N 398 118.963 118.963 118.378 0.585 17685 5870 1 12 . 1 1 73 73 ASP HA H 398 4.382 4.382 4.331 0.051 17685 5871 1 12 . 1 1 73 73 ASP C C 398 179.471 179.471 178.660 0.811 17685 5872 1 12 . 1 1 73 73 ASP CA C 398 57.692 57.692 57.482 0.210 17685 5873 1 12 . 1 1 73 73 ASP CB C 398 40.015 40.015 40.963 -0.948 17685 5874 1 12 . 1 1 73 73 ASP H H 398 8.585 8.585 8.338 0.247 17685 5875 1 12 . 1 1 74 74 LYS N N 399 120.591 120.591 118.066 2.525 17685 5876 1 12 . 1 1 74 74 LYS HA H 399 4.050 4.050 4.095 -0.045 17685 5877 1 12 . 1 1 74 74 LYS C C 399 180.082 180.082 179.039 1.043 17685 5878 1 12 . 1 1 74 74 LYS CA C 399 60.001 60.001 58.279 1.722 17685 5879 1 12 . 1 1 74 74 LYS CB C 399 34.080 34.080 31.965 2.115 17685 5880 1 12 . 1 1 74 74 LYS H H 399 8.003 8.003 7.781 0.222 17685 5881 1 12 . 1 1 75 75 ILE N N 400 120.602 120.602 119.106 1.496 17685 5882 1 12 . 1 1 75 75 ILE HA H 400 3.687 3.687 3.958 -0.271 17685 5883 1 12 . 1 1 75 75 ILE C C 400 177.770 177.770 178.093 -0.323 17685 5884 1 12 . 1 1 75 75 ILE CA C 400 64.860 64.860 64.468 0.392 17685 5885 1 12 . 1 1 75 75 ILE CB C 400 38.253 38.253 37.791 0.462 17685 5886 1 12 . 1 1 75 75 ILE H H 400 7.877 7.877 7.387 0.490 17685 5887 1 12 . 1 1 76 76 LYS N N 401 120.036 120.036 118.932 1.104 17685 5888 1 12 . 1 1 76 76 LYS HA H 401 4.032 4.032 4.116 -0.084 17685 5889 1 12 . 1 1 76 76 LYS C C 401 178.423 178.423 178.369 0.054 17685 5890 1 12 . 1 1 76 76 LYS CA C 401 58.735 58.735 58.394 0.341 17685 5891 1 12 . 1 1 76 76 LYS CB C 401 32.325 32.325 31.669 0.656 17685 5892 1 12 . 1 1 76 76 LYS H H 401 8.260 8.260 7.511 0.749 17685 5893 1 12 . 1 1 77 77 ALA N N 402 118.655 118.655 120.301 -1.646 17685 5894 1 12 . 1 1 77 77 ALA HA H 402 4.205 4.205 4.259 -0.054 17685 5895 1 12 . 1 1 77 77 ALA C C 402 177.949 177.949 178.043 -0.094 17685 5896 1 12 . 1 1 77 77 ALA CA C 402 53.673 53.673 53.423 0.250 17685 5897 1 12 . 1 1 77 77 ALA CB C 402 19.018 19.018 19.412 -0.394 17685 5898 1 12 . 1 1 77 77 ALA H H 402 7.564 7.564 7.455 0.109 17685 5899 1 12 . 1 1 78 78 ASN N N 403 113.964 113.964 117.019 -3.055 17685 5900 1 12 . 1 1 78 78 ASN HA H 403 4.841 4.841 4.792 0.049 17685 5901 1 12 . 1 1 78 78 ASN C C 403 174.866 174.866 175.143 -0.277 17685 5902 1 12 . 1 1 78 78 ASN CA C 403 52.485 52.485 53.075 -0.590 17685 5903 1 12 . 1 1 78 78 ASN CB C 403 37.659 37.659 39.455 -1.796 17685 5904 1 12 . 1 1 78 78 ASN H H 403 7.397 7.397 7.704 -0.307 17685 5905 1 12 . 1 1 79 79 ALA N N 404 131.057 131.057 127.795 3.262 17685 5906 1 12 . 1 1 79 79 ALA HA H 404 4.160 4.160 4.334 -0.174 17685 5907 1 12 . 1 1 79 79 ALA C C 404 180.575 180.575 178.665 1.910 17685 5908 1 12 . 1 1 79 79 ALA CA C 404 56.271 56.271 54.525 1.746 17685 5909 1 12 . 1 1 79 79 ALA CB C 404 18.357 18.357 19.014 -0.657 17685 5910 1 12 . 1 1 79 79 ALA H H 404 9.143 9.143 8.603 0.540 17685 5911 1 12 . 1 1 80 80 ALA N N 405 117.862 117.862 119.030 -1.168 17685 5912 1 12 . 1 1 80 80 ALA HA H 405 4.362 4.362 4.261 0.101 17685 5913 1 12 . 1 1 80 80 ALA C C 405 179.218 179.218 177.946 1.272 17685 5914 1 12 . 1 1 80 80 ALA CA C 405 53.931 53.931 53.136 0.795 17685 5915 1 12 . 1 1 80 80 ALA CB C 405 18.226 18.226 18.945 -0.719 17685 5916 1 12 . 1 1 80 80 ALA H H 405 8.315 8.315 8.060 0.255 17685 5917 1 12 . 1 1 81 81 GLY N N 406 106.895 106.895 105.600 1.295 17685 5918 1 12 . 1 1 81 81 GLY C C 406 175.175 175.175 174.269 0.906 17685 5919 1 12 . 1 1 81 81 GLY CA C 406 45.363 45.363 44.171 1.192 17685 5920 1 12 . 1 1 81 81 GLY H H 406 7.908 7.908 7.485 0.423 17685 5921 1 12 . 1 1 82 82 ALA N N 407 120.775 120.775 124.347 -3.572 17685 5922 1 12 . 1 1 82 82 ALA HA H 407 3.971 3.971 4.054 -0.083 17685 5923 1 12 . 1 1 82 82 ALA C C 407 177.879 177.879 178.651 -0.772 17685 5924 1 12 . 1 1 82 82 ALA CA C 407 56.076 56.076 55.699 0.377 17685 5925 1 12 . 1 1 82 82 ALA CB C 407 19.120 19.120 19.031 0.089 17685 5926 1 12 . 1 1 82 82 ALA H H 407 7.574 7.574 7.669 -0.095 17685 5927 1 12 . 1 1 83 83 LYS N N 408 117.628 117.628 118.415 -0.787 17685 5928 1 12 . 1 1 83 83 LYS HA H 408 3.352 3.352 4.099 -0.747 17685 5929 1 12 . 1 1 83 83 LYS C C 408 178.064 178.064 178.010 0.054 17685 5930 1 12 . 1 1 83 83 LYS CA C 408 61.404 61.404 59.654 1.750 17685 5931 1 12 . 1 1 83 83 LYS CB C 408 31.311 31.311 31.478 -0.167 17685 5932 1 12 . 1 1 83 83 LYS H H 408 8.755 8.755 8.193 0.562 17685 5933 1 12 . 1 1 84 84 GLU N N 409 116.005 116.005 118.616 -2.611 17685 5934 1 12 . 1 1 84 84 GLU HA H 409 3.994 3.994 4.046 -0.052 17685 5935 1 12 . 1 1 84 84 GLU C C 409 179.508 179.508 178.690 0.818 17685 5936 1 12 . 1 1 84 84 GLU CA C 409 59.300 59.300 58.904 0.396 17685 5937 1 12 . 1 1 84 84 GLU CB C 409 28.978 28.978 28.686 0.293 17685 5938 1 12 . 1 1 84 84 GLU H H 409 7.708 7.708 8.190 -0.482 17685 5939 1 12 . 1 1 85 85 VAL N N 410 120.216 120.216 120.575 -0.359 17685 5940 1 12 . 1 1 85 85 VAL HA H 410 3.786 3.786 3.706 0.080 17685 5941 1 12 . 1 1 85 85 VAL C C 410 179.087 179.087 177.778 1.309 17685 5942 1 12 . 1 1 85 85 VAL CA C 410 66.066 66.066 66.419 -0.353 17685 5943 1 12 . 1 1 85 85 VAL CB C 410 32.060 32.060 31.583 0.477 17685 5944 1 12 . 1 1 85 85 VAL H H 410 7.494 7.494 7.756 -0.262 17685 5945 1 12 . 1 1 86 86 LEU N N 411 121.293 121.293 120.590 0.703 17685 5946 1 12 . 1 1 86 86 LEU HA H 411 3.871 3.871 3.945 -0.074 17685 5947 1 12 . 1 1 86 86 LEU C C 411 178.844 178.844 179.485 -0.641 17685 5948 1 12 . 1 1 86 86 LEU CA C 411 58.100 58.100 57.421 0.679 17685 5949 1 12 . 1 1 86 86 LEU CB C 411 42.047 42.047 40.885 1.162 17685 5950 1 12 . 1 1 86 86 LEU H H 411 8.371 8.371 7.632 0.739 17685 5951 1 12 . 1 1 87 87 LYS N N 412 119.536 119.536 117.743 1.793 17685 5952 1 12 . 1 1 87 87 LYS HA H 412 4.206 4.206 4.052 0.154 17685 5953 1 12 . 1 1 87 87 LYS C C 412 179.347 179.347 178.940 0.407 17685 5954 1 12 . 1 1 87 87 LYS CA C 412 60.924 60.924 60.027 0.897 17685 5955 1 12 . 1 1 87 87 LYS CB C 412 32.216 32.216 32.059 0.157 17685 5956 1 12 . 1 1 87 87 LYS H H 412 8.818 8.818 8.714 0.103 17685 5957 1 12 . 1 1 88 88 GLU N N 413 120.780 120.780 119.692 1.088 17685 5958 1 12 . 1 1 88 88 GLU HA H 413 4.127 4.127 4.205 -0.078 17685 5959 1 12 . 1 1 88 88 GLU C C 413 179.469 179.469 179.060 0.409 17685 5960 1 12 . 1 1 88 88 GLU CA C 413 59.720 59.720 58.817 0.903 17685 5961 1 12 . 1 1 88 88 GLU CB C 413 29.021 29.021 29.297 -0.276 17685 5962 1 12 . 1 1 88 88 GLU H H 413 7.882 7.882 7.777 0.105 17685 5963 1 12 . 1 1 89 89 SER N N 414 116.823 116.823 116.686 0.137 17685 5964 1 12 . 1 1 89 89 SER HA H 414 3.765 3.765 4.045 -0.280 17685 5965 1 12 . 1 1 89 89 SER C C 414 176.091 176.091 176.589 -0.498 17685 5966 1 12 . 1 1 89 89 SER CA C 414 63.550 63.550 61.575 1.975 17685 5967 1 12 . 1 1 89 89 SER CB C 414 63.718 63.718 62.758 0.959 17685 5968 1 12 . 1 1 89 89 SER H H 414 8.296 8.296 7.973 0.323 17685 5969 1 12 . 1 1 90 90 ALA N N 415 123.230 123.230 125.396 -2.166 17685 5970 1 12 . 1 1 90 90 ALA HA H 415 3.831 3.831 3.876 -0.045 17685 5971 1 12 . 1 1 90 90 ALA C C 415 177.963 177.963 179.197 -1.234 17685 5972 1 12 . 1 1 90 90 ALA CA C 415 55.415 55.415 55.261 0.154 17685 5973 1 12 . 1 1 90 90 ALA CB C 415 19.432 19.432 18.326 1.106 17685 5974 1 12 . 1 1 90 90 ALA H H 415 8.805 8.805 8.498 0.307 17685 5975 1 12 . 1 1 91 91 LYS N N 416 117.753 117.753 118.488 -0.735 17685 5976 1 12 . 1 1 91 91 LYS HA H 416 3.972 3.972 4.068 -0.096 17685 5977 1 12 . 1 1 91 91 LYS C C 416 178.198 178.198 179.071 -0.873 17685 5978 1 12 . 1 1 91 91 LYS CA C 416 59.817 59.817 58.907 0.910 17685 5979 1 12 . 1 1 91 91 LYS CB C 416 32.247 32.247 31.969 0.278 17685 5980 1 12 . 1 1 91 91 LYS H H 416 8.085 8.085 7.817 0.268 17685 5981 1 12 . 1 1 92 92 THR N N 417 114.597 114.597 117.003 -2.406 17685 5982 1 12 . 1 1 92 92 THR HA H 417 4.075 4.075 4.028 0.047 17685 5983 1 12 . 1 1 92 92 THR C C 417 177.541 177.541 176.945 0.596 17685 5984 1 12 . 1 1 92 92 THR CA C 417 66.473 66.473 66.737 -0.264 17685 5985 1 12 . 1 1 92 92 THR CB C 417 69.070 69.070 68.414 0.656 17685 5986 1 12 . 1 1 92 92 THR H H 417 7.923 7.923 7.940 -0.017 17685 5987 1 12 . 1 1 93 93 ILE N N 418 124.160 124.160 122.180 1.980 17685 5988 1 12 . 1 1 93 93 ILE HA H 418 3.662 3.662 3.657 0.005 17685 5989 1 12 . 1 1 93 93 ILE C C 418 178.114 178.114 177.388 0.726 17685 5990 1 12 . 1 1 93 93 ILE CA C 418 65.626 65.626 65.815 -0.189 17685 5991 1 12 . 1 1 93 93 ILE CB C 418 38.297 38.297 37.572 0.725 17685 5992 1 12 . 1 1 93 93 ILE H H 418 7.984 7.984 8.403 -0.419 17685 5993 1 12 . 1 1 94 94 VAL N N 419 121.566 121.566 120.242 1.324 17685 5994 1 12 . 1 1 94 94 VAL HA H 419 4.156 4.156 4.087 0.069 17685 5995 1 12 . 1 1 94 94 VAL C C 419 181.424 181.424 178.679 2.745 17685 5996 1 12 . 1 1 94 94 VAL CA C 419 65.808 65.808 65.316 0.492 17685 5997 1 12 . 1 1 94 94 VAL CB C 419 31.892 31.892 31.138 0.754 17685 5998 1 12 . 1 1 94 94 VAL H H 419 8.551 8.551 8.099 0.452 17685 5999 1 12 . 1 1 95 95 ASP N N 420 123.788 123.788 121.085 2.703 17685 6000 1 12 . 1 1 95 95 ASP HA H 420 4.477 4.477 4.449 0.028 17685 6001 1 12 . 1 1 95 95 ASP C C 420 178.220 178.220 178.235 -0.015 17685 6002 1 12 . 1 1 95 95 ASP CA C 420 57.548 57.548 56.695 0.853 17685 6003 1 12 . 1 1 95 95 ASP CB C 420 39.850 39.850 41.051 -1.201 17685 6004 1 12 . 1 1 95 95 ASP H H 420 9.354 9.354 8.271 1.083 17685 6005 1 12 . 1 1 96 96 SER N N 421 111.960 111.960 112.919 -0.959 17685 6006 1 12 . 1 1 96 96 SER HA H 421 4.526 4.526 4.492 0.034 17685 6007 1 12 . 1 1 96 96 SER C C 421 175.345 175.345 174.468 0.877 17685 6008 1 12 . 1 1 96 96 SER CA C 421 59.433 59.433 58.833 0.600 17685 6009 1 12 . 1 1 96 96 SER CB C 421 64.264 64.264 63.614 0.650 17685 6010 1 12 . 1 1 96 96 SER H H 421 7.862 7.862 7.946 -0.084 17685 6011 1 12 . 1 1 97 97 GLY N N 422 110.240 110.240 108.692 1.548 17685 6012 1 12 . 1 1 97 97 GLY C C 422 175.158 175.158 175.318 -0.160 17685 6013 1 12 . 1 1 97 97 GLY CA C 422 45.606 45.606 46.336 -0.730 17685 6014 1 12 . 1 1 97 97 GLY H H 422 8.063 8.063 7.382 0.681 17685 6015 1 12 . 1 1 98 98 LYS N N 423 120.213 120.213 119.086 1.127 17685 6016 1 12 . 1 1 98 98 LYS HA H 423 4.083 4.083 4.153 -0.070 17685 6017 1 12 . 1 1 98 98 LYS C C 423 176.681 176.681 176.466 0.215 17685 6018 1 12 . 1 1 98 98 LYS CA C 423 59.417 59.417 57.936 1.481 17685 6019 1 12 . 1 1 98 98 LYS CB C 423 33.453 33.453 33.347 0.106 17685 6020 1 12 . 1 1 98 98 LYS H H 423 7.992 7.992 8.184 -0.192 17685 6021 1 12 . 1 1 99 99 LEU N N 424 114.357 114.357 118.770 -4.413 17685 6022 1 12 . 1 1 99 99 LEU HA H 424 4.848 4.848 4.892 -0.044 17685 6023 1 12 . 1 1 99 99 LEU C C 424 174.161 174.161 174.066 0.095 17685 6024 1 12 . 1 1 99 99 LEU CA C 424 52.225 52.225 51.525 0.700 17685 6025 1 12 . 1 1 99 99 LEU CB C 424 46.075 46.075 44.513 1.562 17685 6026 1 12 . 1 1 99 99 LEU H H 424 6.865 6.865 7.428 -0.563 17685 6027 1 12 . 1 1 100 100 PRO HA H 425 4.650 4.650 4.697 -0.047 17685 6028 1 12 . 1 1 100 100 PRO C C 425 177.559 177.559 178.123 -0.564 17685 6029 1 12 . 1 1 100 100 PRO CA C 425 61.643 61.643 62.276 -0.633 17685 6030 1 12 . 1 1 100 100 PRO CB C 425 32.422 32.422 32.421 0.001 17685 6031 1 12 . 1 1 101 101 SER N N 426 117.043 117.043 118.282 -1.239 17685 6032 1 12 . 1 1 101 101 SER HA H 426 3.824 3.824 4.141 -0.317 17685 6033 1 12 . 1 1 101 101 SER C C 426 177.202 177.202 175.981 1.221 17685 6034 1 12 . 1 1 101 101 SER CA C 426 61.708 61.708 61.919 -0.211 17685 6035 1 12 . 1 1 101 101 SER CB C 426 62.706 62.706 62.340 0.366 17685 6036 1 12 . 1 1 101 101 SER H H 426 8.999 8.999 8.776 0.223 17685 6037 1 12 . 1 1 102 102 SER N N 427 114.761 114.761 117.499 -2.738 17685 6038 1 12 . 1 1 102 102 SER HA H 427 4.112 4.112 4.418 -0.306 17685 6039 1 12 . 1 1 102 102 SER C C 427 176.526 176.526 175.721 0.805 17685 6040 1 12 . 1 1 102 102 SER CA C 427 60.650 60.650 60.431 0.219 17685 6041 1 12 . 1 1 102 102 SER CB C 427 62.213 62.213 62.555 -0.342 17685 6042 1 12 . 1 1 102 102 SER H H 427 8.115 8.115 8.593 -0.478 17685 6043 1 12 . 1 1 103 103 LEU N N 428 120.408 120.408 119.381 1.027 17685 6044 1 12 . 1 1 103 103 LEU HA H 428 4.435 4.435 4.409 0.026 17685 6045 1 12 . 1 1 103 103 LEU C C 428 176.698 176.698 175.711 0.987 17685 6046 1 12 . 1 1 103 103 LEU CA C 428 55.847 55.847 55.277 0.570 17685 6047 1 12 . 1 1 103 103 LEU CB C 428 42.586 42.586 42.346 0.240 17685 6048 1 12 . 1 1 103 103 LEU H H 428 7.320 7.320 7.799 -0.479 17685 6049 1 12 . 1 1 104 104 LEU N N 429 117.860 117.860 116.984 0.876 17685 6050 1 12 . 1 1 104 104 LEU HA H 429 4.995 4.995 5.033 -0.038 17685 6051 1 12 . 1 1 104 104 LEU C C 429 178.320 178.320 177.375 0.945 17685 6052 1 12 . 1 1 104 104 LEU CA C 429 52.672 52.672 52.980 -0.308 17685 6053 1 12 . 1 1 104 104 LEU CB C 429 43.039 43.039 40.599 2.440 17685 6054 1 12 . 1 1 104 104 LEU H H 429 7.325 7.325 7.643 -0.318 17685 6055 1 12 . 1 1 105 105 SER N N 430 112.664 112.664 116.575 -3.911 17685 6056 1 12 . 1 1 105 105 SER HA H 430 4.259 4.259 4.294 -0.035 17685 6057 1 12 . 1 1 105 105 SER C C 430 175.288 175.288 175.588 -0.300 17685 6058 1 12 . 1 1 105 105 SER CA C 430 61.247 61.247 60.955 0.293 17685 6059 1 12 . 1 1 105 105 SER CB C 430 64.058 64.058 62.889 1.169 17685 6060 1 12 . 1 1 105 105 SER H H 430 6.990 6.990 8.085 -1.095 17685 6061 1 12 . 1 1 106 106 TYR N N 431 125.624 125.624 121.100 4.524 17685 6062 1 12 . 1 1 106 106 TYR HA H 431 4.060 4.060 4.210 -0.150 17685 6063 1 12 . 1 1 106 106 TYR C C 431 176.064 176.064 175.139 0.925 17685 6064 1 12 . 1 1 106 106 TYR CA C 431 61.449 61.449 60.932 0.517 17685 6065 1 12 . 1 1 106 106 TYR CB C 431 38.282 38.282 39.099 -0.817 17685 6066 1 12 . 1 1 106 106 TYR H H 431 10.433 10.433 8.406 2.027 17685 6067 1 12 . 1 1 107 107 PHE N N 432 113.203 113.203 114.352 -1.149 17685 6068 1 12 . 1 1 107 107 PHE HA H 432 4.314 4.314 4.513 -0.199 17685 6069 1 12 . 1 1 107 107 PHE C C 432 173.901 173.901 176.050 -2.149 17685 6070 1 12 . 1 1 107 107 PHE CA C 432 59.810 59.810 59.992 -0.182 17685 6071 1 12 . 1 1 107 107 PHE CB C 432 43.249 43.249 40.917 2.332 17685 6072 1 12 . 1 1 107 107 PHE H H 432 7.955 7.955 7.794 0.161 17685 6073 1 13 . 1 1 22 22 SER N N 347 116.741 116.741 116.405 0.336 17685 6074 1 13 . 1 1 22 22 SER HA H 347 4.355 4.355 4.238 0.117 17685 6075 1 13 . 1 1 22 22 SER C C 347 176.272 176.272 176.399 -0.127 17685 6076 1 13 . 1 1 22 22 SER CA C 347 59.651 59.651 60.775 -1.124 17685 6077 1 13 . 1 1 22 22 SER CB C 347 63.231 63.231 63.208 0.023 17685 6078 1 13 . 1 1 22 22 SER H H 347 8.311 8.311 8.733 -0.422 17685 6079 1 13 . 1 1 23 23 LYS N N 348 124.398 124.398 120.433 3.965 17685 6080 1 13 . 1 1 23 23 LYS HA H 348 4.142 4.142 4.177 -0.035 17685 6081 1 13 . 1 1 23 23 LYS C C 348 178.743 178.743 178.398 0.345 17685 6082 1 13 . 1 1 23 23 LYS CA C 348 59.304 59.304 58.444 0.860 17685 6083 1 13 . 1 1 23 23 LYS CB C 348 32.301 32.301 31.822 0.479 17685 6084 1 13 . 1 1 23 23 LYS H H 348 8.611 8.611 8.358 0.253 17685 6085 1 13 . 1 1 24 24 ALA N N 349 122.494 122.494 121.833 0.661 17685 6086 1 13 . 1 1 24 24 ALA HA H 349 4.137 4.137 4.346 -0.209 17685 6087 1 13 . 1 1 24 24 ALA C C 349 179.869 179.869 179.328 0.541 17685 6088 1 13 . 1 1 24 24 ALA CA C 349 54.811 54.811 54.391 0.420 17685 6089 1 13 . 1 1 24 24 ALA CB C 349 18.284 18.284 18.155 0.129 17685 6090 1 13 . 1 1 24 24 ALA H H 349 8.245 8.245 7.425 0.820 17685 6091 1 13 . 1 1 25 25 ALA N N 350 121.576 121.576 121.798 -0.222 17685 6092 1 13 . 1 1 25 25 ALA HA H 350 4.136 4.136 3.913 0.223 17685 6093 1 13 . 1 1 25 25 ALA C C 350 178.743 178.743 179.396 -0.653 17685 6094 1 13 . 1 1 25 25 ALA CA C 350 54.632 54.632 55.114 -0.482 17685 6095 1 13 . 1 1 25 25 ALA CB C 350 18.299 18.299 18.198 0.101 17685 6096 1 13 . 1 1 25 25 ALA H H 350 8.014 8.014 8.341 -0.327 17685 6097 1 13 . 1 1 26 26 LYS N N 351 119.618 119.618 118.129 1.489 17685 6098 1 13 . 1 1 26 26 LYS HA H 351 4.196 4.196 3.914 0.282 17685 6099 1 13 . 1 1 26 26 LYS C C 351 178.485 178.485 179.121 -0.636 17685 6100 1 13 . 1 1 26 26 LYS CA C 351 60.014 60.014 60.034 -0.020 17685 6101 1 13 . 1 1 26 26 LYS CB C 351 32.511 32.511 32.212 0.299 17685 6102 1 13 . 1 1 26 26 LYS H H 351 7.831 7.831 8.164 -0.333 17685 6103 1 13 . 1 1 27 27 LYS N N 352 118.080 118.080 118.409 -0.329 17685 6104 1 13 . 1 1 27 27 LYS HA H 352 3.958 3.958 4.090 -0.132 17685 6105 1 13 . 1 1 27 27 LYS C C 352 179.564 179.564 178.670 0.894 17685 6106 1 13 . 1 1 27 27 LYS CA C 352 60.092 60.092 59.322 0.770 17685 6107 1 13 . 1 1 27 27 LYS CB C 352 32.550 32.550 32.243 0.307 17685 6108 1 13 . 1 1 27 27 LYS H H 352 7.905 7.905 7.652 0.253 17685 6109 1 13 . 1 1 28 28 LYS N N 353 119.878 119.878 120.244 -0.366 17685 6110 1 13 . 1 1 28 28 LYS HA H 353 4.023 4.023 3.941 0.082 17685 6111 1 13 . 1 1 28 28 LYS C C 353 179.270 179.270 178.902 0.368 17685 6112 1 13 . 1 1 28 28 LYS CA C 353 59.806 59.806 59.584 0.223 17685 6113 1 13 . 1 1 28 28 LYS CB C 353 32.324 32.324 32.378 -0.054 17685 6114 1 13 . 1 1 28 28 LYS H H 353 7.934 7.934 8.340 -0.406 17685 6115 1 13 . 1 1 29 29 ASN N N 354 119.780 119.780 117.417 2.363 17685 6116 1 13 . 1 1 29 29 ASN HA H 354 4.557 4.557 4.486 0.071 17685 6117 1 13 . 1 1 29 29 ASN C C 354 177.395 177.395 177.614 -0.219 17685 6118 1 13 . 1 1 29 29 ASN CA C 354 56.167 56.167 55.664 0.503 17685 6119 1 13 . 1 1 29 29 ASN CB C 354 37.928 37.928 38.031 -0.103 17685 6120 1 13 . 1 1 29 29 ASN H H 354 8.524 8.524 8.527 -0.003 17685 6121 1 13 . 1 1 30 30 LYS N N 355 118.850 118.850 120.131 -1.281 17685 6122 1 13 . 1 1 30 30 LYS HA H 355 3.820 3.820 3.915 -0.095 17685 6123 1 13 . 1 1 30 30 LYS C C 355 178.266 178.266 178.856 -0.590 17685 6124 1 13 . 1 1 30 30 LYS CA C 355 61.698 61.698 59.942 1.756 17685 6125 1 13 . 1 1 30 30 LYS CB C 355 33.000 33.000 32.379 0.621 17685 6126 1 13 . 1 1 30 30 LYS H H 355 8.599 8.599 7.664 0.935 17685 6127 1 13 . 1 1 31 31 ARG N N 356 118.226 118.226 117.991 0.235 17685 6128 1 13 . 1 1 31 31 ARG HA H 356 3.940 3.940 4.170 -0.230 17685 6129 1 13 . 1 1 31 31 ARG C C 356 177.676 177.676 178.357 -0.681 17685 6130 1 13 . 1 1 31 31 ARG CA C 356 59.316 59.316 58.885 0.432 17685 6131 1 13 . 1 1 31 31 ARG CB C 356 30.266 30.266 29.723 0.543 17685 6132 1 13 . 1 1 31 31 ARG H H 356 7.809 7.809 7.991 -0.182 17685 6133 1 13 . 1 1 32 32 ALA N N 357 120.780 120.780 123.017 -2.237 17685 6134 1 13 . 1 1 32 32 ALA HA H 357 4.104 4.104 4.075 0.029 17685 6135 1 13 . 1 1 32 32 ALA C C 357 181.157 181.157 179.323 1.834 17685 6136 1 13 . 1 1 32 32 ALA CA C 357 55.118 55.118 54.889 0.229 17685 6137 1 13 . 1 1 32 32 ALA CB C 357 18.064 18.064 18.511 -0.447 17685 6138 1 13 . 1 1 32 32 ALA H H 357 8.155 8.155 8.145 0.010 17685 6139 1 13 . 1 1 33 33 ILE N N 358 116.468 116.468 117.217 -0.749 17685 6140 1 13 . 1 1 33 33 ILE HA H 358 3.590 3.590 3.759 -0.169 17685 6141 1 13 . 1 1 33 33 ILE C C 358 179.458 179.458 177.859 1.599 17685 6142 1 13 . 1 1 33 33 ILE CA C 358 65.775 65.775 62.885 2.890 17685 6143 1 13 . 1 1 33 33 ILE CB C 358 38.592 38.592 36.704 1.888 17685 6144 1 13 . 1 1 33 33 ILE H H 358 7.929 7.929 7.824 0.105 17685 6145 1 13 . 1 1 34 34 ARG N N 359 119.937 119.937 120.139 -0.202 17685 6146 1 13 . 1 1 34 34 ARG HA H 359 3.998 3.998 4.047 -0.049 17685 6147 1 13 . 1 1 34 34 ARG C C 359 179.124 179.124 179.208 -0.084 17685 6148 1 13 . 1 1 34 34 ARG CA C 359 60.029 60.029 59.631 0.398 17685 6149 1 13 . 1 1 34 34 ARG CB C 359 30.576 30.576 29.789 0.787 17685 6150 1 13 . 1 1 34 34 ARG H H 359 8.672 8.672 7.512 1.160 17685 6151 1 13 . 1 1 35 35 ASN N N 360 116.359 116.359 118.354 -1.995 17685 6152 1 13 . 1 1 35 35 ASN HA H 360 4.575 4.575 4.383 0.192 17685 6153 1 13 . 1 1 35 35 ASN C C 360 175.723 175.723 176.571 -0.848 17685 6154 1 13 . 1 1 35 35 ASN CA C 360 54.215 54.215 55.893 -1.678 17685 6155 1 13 . 1 1 35 35 ASN CB C 360 38.575 38.575 38.462 0.112 17685 6156 1 13 . 1 1 35 35 ASN H H 360 8.454 8.454 8.468 -0.014 17685 6157 1 13 . 1 1 36 36 SER N N 361 115.734 115.734 116.700 -0.966 17685 6158 1 13 . 1 1 36 36 SER HA H 361 3.995 3.995 4.057 -0.062 17685 6159 1 13 . 1 1 36 36 SER C C 361 176.129 176.129 175.807 0.322 17685 6160 1 13 . 1 1 36 36 SER CA C 361 62.349 62.349 62.047 0.301 17685 6161 1 13 . 1 1 36 36 SER CB C 361 63.664 63.664 62.759 0.905 17685 6162 1 13 . 1 1 36 36 SER H H 361 7.617 7.617 7.561 0.056 17685 6163 1 13 . 1 1 37 37 ALA N N 362 124.421 124.421 123.433 0.988 17685 6164 1 13 . 1 1 37 37 ALA HA H 362 3.770 3.770 3.742 0.028 17685 6165 1 13 . 1 1 37 37 ALA C C 362 178.482 178.482 178.101 0.381 17685 6166 1 13 . 1 1 37 37 ALA CA C 362 54.821 54.821 53.941 0.880 17685 6167 1 13 . 1 1 37 37 ALA CB C 362 18.347 18.347 17.816 0.531 17685 6168 1 13 . 1 1 37 37 ALA H H 362 6.868 6.868 7.606 -0.738 17685 6169 1 13 . 1 1 38 38 LYS N N 363 122.319 122.319 117.742 4.577 17685 6170 1 13 . 1 1 38 38 LYS HA H 363 2.913 2.913 4.051 -1.138 17685 6171 1 13 . 1 1 38 38 LYS C C 363 180.669 180.669 179.519 1.150 17685 6172 1 13 . 1 1 38 38 LYS CA C 363 59.567 59.567 58.558 1.009 17685 6173 1 13 . 1 1 38 38 LYS CB C 363 31.563 31.563 32.166 -0.603 17685 6174 1 13 . 1 1 38 38 LYS H H 363 8.317 8.317 7.508 0.809 17685 6175 1 13 . 1 1 39 39 GLU N N 364 118.666 118.666 118.487 0.179 17685 6176 1 13 . 1 1 39 39 GLU HA H 364 4.015 4.015 4.206 -0.191 17685 6177 1 13 . 1 1 39 39 GLU C C 364 176.609 176.609 177.889 -1.280 17685 6178 1 13 . 1 1 39 39 GLU CA C 364 58.674 58.674 58.337 0.337 17685 6179 1 13 . 1 1 39 39 GLU CB C 364 29.058 29.058 30.076 -1.018 17685 6180 1 13 . 1 1 39 39 GLU H H 364 7.935 7.935 7.971 -0.036 17685 6181 1 13 . 1 1 40 40 ALA N N 365 121.145 121.145 119.742 1.403 17685 6182 1 13 . 1 1 40 40 ALA HA H 365 4.663 4.663 4.607 0.056 17685 6183 1 13 . 1 1 40 40 ALA C C 365 177.688 177.688 175.699 1.989 17685 6184 1 13 . 1 1 40 40 ALA CA C 365 50.931 50.931 51.127 -0.196 17685 6185 1 13 . 1 1 40 40 ALA CB C 365 18.566 18.566 19.951 -1.385 17685 6186 1 13 . 1 1 40 40 ALA H H 365 7.049 7.049 7.932 -0.883 17685 6187 1 13 . 1 1 41 41 ASP N N 366 121.103 121.103 115.781 5.322 17685 6188 1 13 . 1 1 41 41 ASP HA H 366 4.338 4.338 4.226 0.112 17685 6189 1 13 . 1 1 41 41 ASP C C 366 175.644 175.644 175.098 0.546 17685 6190 1 13 . 1 1 41 41 ASP CA C 366 55.898 55.898 54.555 1.343 17685 6191 1 13 . 1 1 41 41 ASP CB C 366 39.353 39.353 40.892 -1.538 17685 6192 1 13 . 1 1 41 41 ASP H H 366 8.099 8.099 7.047 1.052 17685 6193 1 13 . 1 1 42 42 TYR N N 367 110.700 110.700 120.854 -10.154 17685 6194 1 13 . 1 1 42 42 TYR HA H 367 2.485 2.485 3.954 -1.469 17685 6195 1 13 . 1 1 42 42 TYR C C 367 174.307 174.307 175.845 -1.538 17685 6196 1 13 . 1 1 42 42 TYR CA C 367 61.064 61.064 58.481 2.583 17685 6197 1 13 . 1 1 42 42 TYR CB C 367 34.242 34.242 38.134 -3.892 17685 6198 1 13 . 1 1 42 42 TYR H H 367 8.364 8.364 8.735 -0.371 17685 6199 1 13 . 1 1 43 43 PHE N N 368 111.305 111.305 117.153 -5.848 17685 6200 1 13 . 1 1 43 43 PHE HA H 368 4.666 4.666 4.204 0.462 17685 6201 1 13 . 1 1 43 43 PHE C C 368 177.162 177.162 176.385 0.777 17685 6202 1 13 . 1 1 43 43 PHE CA C 368 56.561 56.561 58.719 -2.158 17685 6203 1 13 . 1 1 43 43 PHE CB C 368 36.514 36.514 36.320 0.194 17685 6204 1 13 . 1 1 43 43 PHE H H 368 7.666 7.666 7.364 0.302 17685 6205 1 13 . 1 1 44 44 GLY N N 369 106.300 106.300 106.142 0.158 17685 6206 1 13 . 1 1 44 44 GLY C C 369 174.446 174.446 174.191 0.255 17685 6207 1 13 . 1 1 44 44 GLY CA C 369 45.780 45.780 45.547 0.233 17685 6208 1 13 . 1 1 44 44 GLY H H 369 7.671 7.671 8.326 -0.655 17685 6209 1 13 . 1 1 45 45 ASP N N 370 122.876 122.876 118.791 4.085 17685 6210 1 13 . 1 1 45 45 ASP HA H 370 5.323 5.323 4.869 0.454 17685 6211 1 13 . 1 1 45 45 ASP C C 370 176.360 176.360 176.357 0.003 17685 6212 1 13 . 1 1 45 45 ASP CA C 370 53.322 53.322 53.667 -0.345 17685 6213 1 13 . 1 1 45 45 ASP CB C 370 41.391 41.391 41.278 0.113 17685 6214 1 13 . 1 1 45 45 ASP H H 370 8.331 8.331 7.901 0.430 17685 6215 1 13 . 1 1 46 46 ALA N N 371 121.771 121.771 123.515 -1.744 17685 6216 1 13 . 1 1 46 46 ALA HA H 371 3.600 3.600 3.961 -0.361 17685 6217 1 13 . 1 1 46 46 ALA C C 371 179.111 179.111 178.761 0.350 17685 6218 1 13 . 1 1 46 46 ALA CA C 371 56.038 56.038 54.540 1.498 17685 6219 1 13 . 1 1 46 46 ALA CB C 371 17.942 17.942 18.423 -0.481 17685 6220 1 13 . 1 1 46 46 ALA H H 371 8.282 8.282 8.474 -0.192 17685 6221 1 13 . 1 1 47 47 ASP N N 372 116.273 116.273 117.246 -0.973 17685 6222 1 13 . 1 1 47 47 ASP HA H 372 4.359 4.359 4.440 -0.081 17685 6223 1 13 . 1 1 47 47 ASP C C 372 177.019 177.019 177.192 -0.173 17685 6224 1 13 . 1 1 47 47 ASP CA C 372 55.832 55.832 56.058 -0.226 17685 6225 1 13 . 1 1 47 47 ASP CB C 372 39.190 39.190 40.396 -1.206 17685 6226 1 13 . 1 1 47 47 ASP H H 372 9.068 9.068 8.685 0.383 17685 6227 1 13 . 1 1 48 48 LYS N N 373 120.180 120.180 116.220 3.960 17685 6228 1 13 . 1 1 48 48 LYS HA H 373 4.723 4.723 4.654 0.069 17685 6229 1 13 . 1 1 48 48 LYS C C 373 175.542 175.542 176.326 -0.784 17685 6230 1 13 . 1 1 48 48 LYS CA C 373 54.787 54.787 55.228 -0.441 17685 6231 1 13 . 1 1 48 48 LYS CB C 373 32.179 32.179 31.977 0.202 17685 6232 1 13 . 1 1 48 48 LYS H H 373 8.050 8.050 7.743 0.307 17685 6233 1 13 . 1 1 49 49 ALA N N 374 122.498 122.498 124.141 -1.643 17685 6234 1 13 . 1 1 49 49 ALA HA H 374 3.068 3.068 4.046 -0.978 17685 6235 1 13 . 1 1 49 49 ALA C C 374 177.781 177.781 178.952 -1.171 17685 6236 1 13 . 1 1 49 49 ALA CA C 374 56.962 56.962 55.704 1.258 17685 6237 1 13 . 1 1 49 49 ALA CB C 374 17.855 17.855 17.485 0.370 17685 6238 1 13 . 1 1 49 49 ALA H H 374 7.045 7.045 8.319 -1.274 17685 6239 1 13 . 1 1 50 50 THR N N 375 108.573 108.573 111.328 -2.755 17685 6240 1 13 . 1 1 50 50 THR HA H 375 4.044 4.044 4.024 0.020 17685 6241 1 13 . 1 1 50 50 THR C C 375 177.647 177.647 176.231 1.416 17685 6242 1 13 . 1 1 50 50 THR CA C 375 66.201 66.201 66.225 -0.025 17685 6243 1 13 . 1 1 50 50 THR CB C 375 68.334 68.334 68.325 0.009 17685 6244 1 13 . 1 1 50 50 THR H H 375 8.285 8.285 8.461 -0.176 17685 6245 1 13 . 1 1 51 51 THR N N 376 120.018 120.018 118.862 1.156 17685 6246 1 13 . 1 1 51 51 THR HA H 376 4.147 4.147 4.103 0.044 17685 6247 1 13 . 1 1 51 51 THR C C 376 175.499 175.499 176.574 -1.075 17685 6248 1 13 . 1 1 51 51 THR CA C 376 66.145 66.145 66.766 -0.621 17685 6249 1 13 . 1 1 51 51 THR CB C 376 69.382 69.382 68.499 0.883 17685 6250 1 13 . 1 1 51 51 THR H H 376 7.359 7.359 7.771 -0.412 17685 6251 1 13 . 1 1 52 52 ILE N N 377 122.319 122.319 122.632 -0.313 17685 6252 1 13 . 1 1 52 52 ILE HA H 377 3.168 3.168 3.541 -0.373 17685 6253 1 13 . 1 1 52 52 ILE C C 377 177.879 177.879 177.557 0.322 17685 6254 1 13 . 1 1 52 52 ILE CA C 377 67.070 67.070 66.040 1.030 17685 6255 1 13 . 1 1 52 52 ILE CB C 377 38.257 38.257 37.537 0.720 17685 6256 1 13 . 1 1 52 52 ILE H H 377 8.346 8.346 8.518 -0.172 17685 6257 1 13 . 1 1 53 53 ASP N N 378 117.696 117.696 120.195 -2.499 17685 6258 1 13 . 1 1 53 53 ASP HA H 378 4.739 4.739 4.344 0.395 17685 6259 1 13 . 1 1 53 53 ASP C C 378 180.094 180.094 178.542 1.552 17685 6260 1 13 . 1 1 53 53 ASP CA C 378 58.044 58.044 57.990 0.053 17685 6261 1 13 . 1 1 53 53 ASP CB C 378 39.648 39.648 40.955 -1.307 17685 6262 1 13 . 1 1 53 53 ASP H H 378 8.991 8.991 8.400 0.591 17685 6263 1 13 . 1 1 54 54 GLU N N 379 121.956 121.956 120.340 1.616 17685 6264 1 13 . 1 1 54 54 GLU HA H 379 4.174 4.174 4.030 0.144 17685 6265 1 13 . 1 1 54 54 GLU C C 379 179.679 179.679 179.015 0.664 17685 6266 1 13 . 1 1 54 54 GLU CA C 379 59.572 59.572 59.327 0.245 17685 6267 1 13 . 1 1 54 54 GLU CB C 379 29.324 29.324 29.820 -0.496 17685 6268 1 13 . 1 1 54 54 GLU H H 379 7.946 7.946 8.069 -0.123 17685 6269 1 13 . 1 1 55 55 GLN N N 380 120.733 120.733 119.054 1.679 17685 6270 1 13 . 1 1 55 55 GLN HA H 380 4.171 4.171 4.073 0.098 17685 6271 1 13 . 1 1 55 55 GLN C C 380 178.288 178.288 178.666 -0.378 17685 6272 1 13 . 1 1 55 55 GLN CA C 380 59.994 59.994 59.061 0.933 17685 6273 1 13 . 1 1 55 55 GLN CB C 380 29.566 29.566 29.124 0.442 17685 6274 1 13 . 1 1 55 55 GLN H H 380 8.357 8.357 8.557 -0.200 17685 6275 1 13 . 1 1 56 56 VAL N N 381 120.353 120.353 119.465 0.888 17685 6276 1 13 . 1 1 56 56 VAL HA H 381 3.536 3.536 3.658 -0.122 17685 6277 1 13 . 1 1 56 56 VAL C C 381 178.220 178.220 178.108 0.112 17685 6278 1 13 . 1 1 56 56 VAL CA C 381 67.557 67.557 66.366 1.191 17685 6279 1 13 . 1 1 56 56 VAL CB C 381 31.349 31.349 30.855 0.494 17685 6280 1 13 . 1 1 56 56 VAL H H 381 9.484 9.484 8.198 1.286 17685 6281 1 13 . 1 1 57 57 GLY N N 382 106.926 106.926 108.288 -1.362 17685 6282 1 13 . 1 1 57 57 GLY C C 382 174.843 174.843 176.341 -1.498 17685 6283 1 13 . 1 1 57 57 GLY CA C 382 47.694 47.694 47.272 0.422 17685 6284 1 13 . 1 1 57 57 GLY H H 382 8.169 8.169 8.031 0.138 17685 6285 1 13 . 1 1 58 58 LEU N N 383 120.610 120.610 122.646 -2.036 17685 6286 1 13 . 1 1 58 58 LEU HA H 383 4.151 4.151 3.980 0.171 17685 6287 1 13 . 1 1 58 58 LEU C C 383 180.087 180.087 179.005 1.082 17685 6288 1 13 . 1 1 58 58 LEU CA C 383 57.974 57.974 57.683 0.291 17685 6289 1 13 . 1 1 58 58 LEU CB C 383 42.125 42.125 41.676 0.449 17685 6290 1 13 . 1 1 58 58 LEU H H 383 7.568 7.568 8.029 -0.461 17685 6291 1 13 . 1 1 59 59 ILE N N 384 120.213 120.213 119.502 0.711 17685 6292 1 13 . 1 1 59 59 ILE HA H 384 3.416 3.416 3.573 -0.157 17685 6293 1 13 . 1 1 59 59 ILE C C 384 178.310 178.310 178.063 0.247 17685 6294 1 13 . 1 1 59 59 ILE CA C 384 66.069 66.069 65.564 0.505 17685 6295 1 13 . 1 1 59 59 ILE CB C 384 38.233 38.233 37.743 0.490 17685 6296 1 13 . 1 1 59 59 ILE H H 384 8.057 8.057 7.895 0.162 17685 6297 1 13 . 1 1 60 60 VAL N N 385 115.546 115.546 114.710 0.836 17685 6298 1 13 . 1 1 60 60 VAL HA H 385 3.560 3.560 3.616 -0.056 17685 6299 1 13 . 1 1 60 60 VAL C C 385 177.921 177.921 176.705 1.216 17685 6300 1 13 . 1 1 60 60 VAL CA C 385 66.702 66.702 65.414 1.288 17685 6301 1 13 . 1 1 60 60 VAL CB C 385 31.565 31.565 31.751 -0.186 17685 6302 1 13 . 1 1 60 60 VAL H H 385 8.672 8.672 8.067 0.605 17685 6303 1 13 . 1 1 61 61 ASP N N 386 117.831 117.831 118.415 -0.584 17685 6304 1 13 . 1 1 61 61 ASP HA H 386 4.571 4.571 4.500 0.071 17685 6305 1 13 . 1 1 61 61 ASP C C 386 177.238 177.238 177.639 -0.401 17685 6306 1 13 . 1 1 61 61 ASP CA C 386 56.184 56.184 56.160 0.024 17685 6307 1 13 . 1 1 61 61 ASP CB C 386 40.632 40.632 41.424 -0.792 17685 6308 1 13 . 1 1 61 61 ASP H H 386 7.988 7.988 8.032 -0.044 17685 6309 1 13 . 1 1 62 62 SER N N 387 114.761 114.761 114.392 0.369 17685 6310 1 13 . 1 1 62 62 SER HA H 387 4.577 4.577 4.441 0.136 17685 6311 1 13 . 1 1 62 62 SER C C 387 173.645 173.645 174.380 -0.735 17685 6312 1 13 . 1 1 62 62 SER CA C 387 59.694 59.694 59.991 -0.297 17685 6313 1 13 . 1 1 62 62 SER CB C 387 64.588 64.588 64.026 0.562 17685 6314 1 13 . 1 1 62 62 SER H H 387 7.755 7.755 7.574 0.181 17685 6315 1 13 . 1 1 63 63 LEU N N 388 121.610 121.610 120.872 0.738 17685 6316 1 13 . 1 1 63 63 LEU HA H 388 4.506 4.506 4.406 0.100 17685 6317 1 13 . 1 1 63 63 LEU C C 388 177.071 177.071 174.638 2.433 17685 6318 1 13 . 1 1 63 63 LEU CA C 388 54.490 54.490 53.754 0.736 17685 6319 1 13 . 1 1 63 63 LEU CB C 388 42.414 42.414 43.484 -1.070 17685 6320 1 13 . 1 1 63 63 LEU H H 388 7.083 7.083 7.223 -0.140 17685 6321 1 13 . 1 1 64 64 ASN N N 389 122.154 122.154 116.670 5.484 17685 6322 1 13 . 1 1 64 64 ASN HA H 389 4.748 4.748 4.824 -0.076 17685 6323 1 13 . 1 1 64 64 ASN C C 389 175.144 175.144 175.813 -0.669 17685 6324 1 13 . 1 1 64 64 ASN CA C 389 51.898 51.898 51.618 0.280 17685 6325 1 13 . 1 1 64 64 ASN CB C 389 37.762 37.762 40.095 -2.333 17685 6326 1 13 . 1 1 64 64 ASN H H 389 9.587 9.587 8.118 1.469 17685 6327 1 13 . 1 1 65 65 ASP N N 390 116.882 116.882 118.747 -1.865 17685 6328 1 13 . 1 1 65 65 ASP HA H 390 4.288 4.288 4.234 0.054 17685 6329 1 13 . 1 1 65 65 ASP C C 390 178.601 178.601 177.758 0.843 17685 6330 1 13 . 1 1 65 65 ASP CA C 390 58.992 58.992 57.492 1.500 17685 6331 1 13 . 1 1 65 65 ASP CB C 390 40.168 40.168 40.519 -0.351 17685 6332 1 13 . 1 1 65 65 ASP H H 390 8.504 8.504 8.858 -0.354 17685 6333 1 13 . 1 1 66 66 GLU N N 391 119.807 119.807 118.742 1.065 17685 6334 1 13 . 1 1 66 66 GLU HA H 391 4.048 4.048 4.083 -0.035 17685 6335 1 13 . 1 1 66 66 GLU C C 391 179.549 179.549 179.300 0.249 17685 6336 1 13 . 1 1 66 66 GLU CA C 391 59.943 59.943 59.349 0.594 17685 6337 1 13 . 1 1 66 66 GLU CB C 391 29.119 29.119 28.949 0.170 17685 6338 1 13 . 1 1 66 66 GLU H H 391 8.318 8.318 8.776 -0.458 17685 6339 1 13 . 1 1 67 67 GLU N N 392 121.747 121.747 119.892 1.855 17685 6340 1 13 . 1 1 67 67 GLU HA H 392 4.151 4.151 4.155 -0.004 17685 6341 1 13 . 1 1 67 67 GLU C C 392 180.544 180.544 179.141 1.403 17685 6342 1 13 . 1 1 67 67 GLU CA C 392 58.307 58.307 58.568 -0.261 17685 6343 1 13 . 1 1 67 67 GLU CB C 392 30.933 30.933 29.287 1.646 17685 6344 1 13 . 1 1 67 67 GLU H H 392 8.709 8.709 7.776 0.933 17685 6345 1 13 . 1 1 68 68 LEU N N 393 123.523 123.523 121.201 2.322 17685 6346 1 13 . 1 1 68 68 LEU HA H 393 3.923 3.923 4.101 -0.178 17685 6347 1 13 . 1 1 68 68 LEU C C 393 178.151 178.151 179.534 -1.383 17685 6348 1 13 . 1 1 68 68 LEU CA C 393 58.642 58.642 57.911 0.730 17685 6349 1 13 . 1 1 68 68 LEU CB C 393 42.304 42.304 41.679 0.625 17685 6350 1 13 . 1 1 68 68 LEU H H 393 8.930 8.930 8.323 0.607 17685 6351 1 13 . 1 1 69 69 VAL N N 394 118.071 118.071 118.841 -0.770 17685 6352 1 13 . 1 1 69 69 VAL HA H 394 3.527 3.527 3.689 -0.162 17685 6353 1 13 . 1 1 69 69 VAL C C 394 177.701 177.701 177.720 -0.019 17685 6354 1 13 . 1 1 69 69 VAL CA C 394 66.494 66.494 65.429 1.065 17685 6355 1 13 . 1 1 69 69 VAL CB C 394 32.103 32.103 30.777 1.326 17685 6356 1 13 . 1 1 69 69 VAL H H 394 7.304 7.304 8.026 -0.722 17685 6357 1 13 . 1 1 70 70 SER N N 395 112.686 112.686 115.326 -2.640 17685 6358 1 13 . 1 1 70 70 SER HA H 395 4.238 4.238 4.131 0.107 17685 6359 1 13 . 1 1 70 70 SER C C 395 177.618 177.618 176.643 0.975 17685 6360 1 13 . 1 1 70 70 SER CA C 395 61.410 61.410 62.306 -0.896 17685 6361 1 13 . 1 1 70 70 SER CB C 395 63.002 63.002 62.874 0.128 17685 6362 1 13 . 1 1 70 70 SER H H 395 7.906 7.906 7.834 0.072 17685 6363 1 13 . 1 1 71 71 THR N N 396 118.003 118.003 114.990 3.013 17685 6364 1 13 . 1 1 71 71 THR HA H 396 3.767 3.767 4.026 -0.259 17685 6365 1 13 . 1 1 71 71 THR C C 396 175.404 175.404 176.398 -0.994 17685 6366 1 13 . 1 1 71 71 THR CA C 396 67.763 67.763 65.280 2.483 17685 6367 1 13 . 1 1 71 71 THR CB C 396 68.498 68.498 68.681 -0.183 17685 6368 1 13 . 1 1 71 71 THR H H 396 8.511 8.511 8.219 0.292 17685 6369 1 13 . 1 1 72 72 ALA N N 397 123.373 123.373 124.907 -1.534 17685 6370 1 13 . 1 1 72 72 ALA HA H 397 3.857 3.857 3.902 -0.045 17685 6371 1 13 . 1 1 72 72 ALA C C 397 180.173 180.173 178.975 1.198 17685 6372 1 13 . 1 1 72 72 ALA CA C 397 56.079 56.079 55.158 0.921 17685 6373 1 13 . 1 1 72 72 ALA CB C 397 17.767 17.767 18.241 -0.474 17685 6374 1 13 . 1 1 72 72 ALA H H 397 8.268 8.268 8.344 -0.076 17685 6375 1 13 . 1 1 73 73 ASP N N 398 118.963 118.963 117.871 1.092 17685 6376 1 13 . 1 1 73 73 ASP HA H 398 4.382 4.382 4.313 0.069 17685 6377 1 13 . 1 1 73 73 ASP C C 398 179.471 179.471 178.642 0.829 17685 6378 1 13 . 1 1 73 73 ASP CA C 398 57.692 57.692 57.505 0.187 17685 6379 1 13 . 1 1 73 73 ASP CB C 398 40.015 40.015 40.901 -0.886 17685 6380 1 13 . 1 1 73 73 ASP H H 398 8.585 8.585 8.440 0.145 17685 6381 1 13 . 1 1 74 74 LYS N N 399 120.591 120.591 117.604 2.987 17685 6382 1 13 . 1 1 74 74 LYS HA H 399 4.050 4.050 4.102 -0.052 17685 6383 1 13 . 1 1 74 74 LYS C C 399 180.082 180.082 178.845 1.237 17685 6384 1 13 . 1 1 74 74 LYS CA C 399 60.001 60.001 58.198 1.803 17685 6385 1 13 . 1 1 74 74 LYS CB C 399 34.080 34.080 32.042 2.038 17685 6386 1 13 . 1 1 74 74 LYS H H 399 8.003 8.003 7.452 0.551 17685 6387 1 13 . 1 1 75 75 ILE N N 400 120.602 120.602 119.579 1.023 17685 6388 1 13 . 1 1 75 75 ILE HA H 400 3.687 3.687 3.949 -0.262 17685 6389 1 13 . 1 1 75 75 ILE C C 400 177.770 177.770 177.975 -0.205 17685 6390 1 13 . 1 1 75 75 ILE CA C 400 64.860 64.860 64.506 0.354 17685 6391 1 13 . 1 1 75 75 ILE CB C 400 38.253 38.253 37.747 0.506 17685 6392 1 13 . 1 1 75 75 ILE H H 400 7.877 7.877 7.431 0.446 17685 6393 1 13 . 1 1 76 76 LYS N N 401 120.036 120.036 119.002 1.034 17685 6394 1 13 . 1 1 76 76 LYS HA H 401 4.032 4.032 4.078 -0.046 17685 6395 1 13 . 1 1 76 76 LYS C C 401 178.423 178.423 178.813 -0.390 17685 6396 1 13 . 1 1 76 76 LYS CA C 401 58.735 58.735 58.606 0.129 17685 6397 1 13 . 1 1 76 76 LYS CB C 401 32.325 32.325 31.620 0.705 17685 6398 1 13 . 1 1 76 76 LYS H H 401 8.260 8.260 7.754 0.506 17685 6399 1 13 . 1 1 77 77 ALA N N 402 118.655 118.655 121.045 -2.390 17685 6400 1 13 . 1 1 77 77 ALA HA H 402 4.205 4.205 4.224 -0.019 17685 6401 1 13 . 1 1 77 77 ALA C C 402 177.949 177.949 178.562 -0.613 17685 6402 1 13 . 1 1 77 77 ALA CA C 402 53.673 53.673 54.103 -0.430 17685 6403 1 13 . 1 1 77 77 ALA CB C 402 19.018 19.018 19.238 -0.220 17685 6404 1 13 . 1 1 77 77 ALA H H 402 7.564 7.564 7.550 0.014 17685 6405 1 13 . 1 1 78 78 ASN N N 403 113.964 113.964 117.006 -3.042 17685 6406 1 13 . 1 1 78 78 ASN HA H 403 4.841 4.841 4.947 -0.106 17685 6407 1 13 . 1 1 78 78 ASN C C 403 174.866 174.866 174.305 0.561 17685 6408 1 13 . 1 1 78 78 ASN CA C 403 52.485 52.485 51.875 0.610 17685 6409 1 13 . 1 1 78 78 ASN CB C 403 37.659 37.659 38.331 -0.672 17685 6410 1 13 . 1 1 78 78 ASN H H 403 7.397 7.397 7.993 -0.596 17685 6411 1 13 . 1 1 79 79 ALA N N 404 131.057 131.057 124.431 6.626 17685 6412 1 13 . 1 1 79 79 ALA HA H 404 4.160 4.160 4.238 -0.078 17685 6413 1 13 . 1 1 79 79 ALA C C 404 180.575 180.575 177.951 2.624 17685 6414 1 13 . 1 1 79 79 ALA CA C 404 56.271 56.271 54.911 1.360 17685 6415 1 13 . 1 1 79 79 ALA CB C 404 18.357 18.357 19.319 -0.962 17685 6416 1 13 . 1 1 79 79 ALA H H 404 9.143 9.143 8.150 0.993 17685 6417 1 13 . 1 1 80 80 ALA N N 405 117.862 117.862 118.985 -1.123 17685 6418 1 13 . 1 1 80 80 ALA HA H 405 4.362 4.362 4.231 0.131 17685 6419 1 13 . 1 1 80 80 ALA C C 405 179.218 179.218 177.856 1.362 17685 6420 1 13 . 1 1 80 80 ALA CA C 405 53.931 53.931 53.500 0.431 17685 6421 1 13 . 1 1 80 80 ALA CB C 405 18.226 18.226 18.649 -0.423 17685 6422 1 13 . 1 1 80 80 ALA H H 405 8.315 8.315 8.219 0.096 17685 6423 1 13 . 1 1 81 81 GLY N N 406 106.895 106.895 105.042 1.853 17685 6424 1 13 . 1 1 81 81 GLY C C 406 175.175 175.175 174.357 0.818 17685 6425 1 13 . 1 1 81 81 GLY CA C 406 45.363 45.363 43.508 1.855 17685 6426 1 13 . 1 1 81 81 GLY H H 406 7.908 7.908 8.023 -0.115 17685 6427 1 13 . 1 1 82 82 ALA N N 407 120.775 120.775 124.736 -3.961 17685 6428 1 13 . 1 1 82 82 ALA HA H 407 3.971 3.971 4.139 -0.168 17685 6429 1 13 . 1 1 82 82 ALA C C 407 177.879 177.879 178.673 -0.794 17685 6430 1 13 . 1 1 82 82 ALA CA C 407 56.076 56.076 54.685 1.391 17685 6431 1 13 . 1 1 82 82 ALA CB C 407 19.120 19.120 18.920 0.200 17685 6432 1 13 . 1 1 82 82 ALA H H 407 7.574 7.574 8.072 -0.498 17685 6433 1 13 . 1 1 83 83 LYS N N 408 117.628 117.628 119.754 -2.126 17685 6434 1 13 . 1 1 83 83 LYS HA H 408 3.352 3.352 3.926 -0.574 17685 6435 1 13 . 1 1 83 83 LYS C C 408 178.064 178.064 177.872 0.192 17685 6436 1 13 . 1 1 83 83 LYS CA C 408 61.404 61.404 59.807 1.597 17685 6437 1 13 . 1 1 83 83 LYS CB C 408 31.311 31.311 31.452 -0.141 17685 6438 1 13 . 1 1 83 83 LYS H H 408 8.755 8.755 8.647 0.108 17685 6439 1 13 . 1 1 84 84 GLU N N 409 116.005 116.005 117.041 -1.036 17685 6440 1 13 . 1 1 84 84 GLU HA H 409 3.994 3.994 4.085 -0.091 17685 6441 1 13 . 1 1 84 84 GLU C C 409 179.508 179.508 178.117 1.391 17685 6442 1 13 . 1 1 84 84 GLU CA C 409 59.300 59.300 58.989 0.311 17685 6443 1 13 . 1 1 84 84 GLU CB C 409 28.978 28.978 28.634 0.344 17685 6444 1 13 . 1 1 84 84 GLU H H 409 7.708 7.708 8.337 -0.629 17685 6445 1 13 . 1 1 85 85 VAL N N 410 120.216 120.216 121.004 -0.788 17685 6446 1 13 . 1 1 85 85 VAL HA H 410 3.786 3.786 3.744 0.042 17685 6447 1 13 . 1 1 85 85 VAL C C 410 179.087 179.087 177.735 1.352 17685 6448 1 13 . 1 1 85 85 VAL CA C 410 66.066 66.066 66.283 -0.217 17685 6449 1 13 . 1 1 85 85 VAL CB C 410 32.060 32.060 31.598 0.462 17685 6450 1 13 . 1 1 85 85 VAL H H 410 7.494 7.494 7.469 0.025 17685 6451 1 13 . 1 1 86 86 LEU N N 411 121.293 121.293 120.342 0.951 17685 6452 1 13 . 1 1 86 86 LEU HA H 411 3.871 3.871 3.732 0.139 17685 6453 1 13 . 1 1 86 86 LEU C C 411 178.844 178.844 179.064 -0.220 17685 6454 1 13 . 1 1 86 86 LEU CA C 411 58.100 58.100 57.927 0.173 17685 6455 1 13 . 1 1 86 86 LEU CB C 411 42.047 42.047 39.840 2.207 17685 6456 1 13 . 1 1 86 86 LEU H H 411 8.371 8.371 7.959 0.412 17685 6457 1 13 . 1 1 87 87 LYS N N 412 119.536 119.536 118.628 0.908 17685 6458 1 13 . 1 1 87 87 LYS HA H 412 4.206 4.206 4.324 -0.118 17685 6459 1 13 . 1 1 87 87 LYS C C 412 179.347 179.347 179.373 -0.026 17685 6460 1 13 . 1 1 87 87 LYS CA C 412 60.924 60.924 60.059 0.865 17685 6461 1 13 . 1 1 87 87 LYS CB C 412 32.216 32.216 32.120 0.096 17685 6462 1 13 . 1 1 87 87 LYS H H 412 8.818 8.818 8.562 0.256 17685 6463 1 13 . 1 1 88 88 GLU N N 413 120.780 120.780 118.797 1.983 17685 6464 1 13 . 1 1 88 88 GLU HA H 413 4.127 4.127 4.146 -0.019 17685 6465 1 13 . 1 1 88 88 GLU C C 413 179.469 179.469 178.790 0.679 17685 6466 1 13 . 1 1 88 88 GLU CA C 413 59.720 59.720 59.190 0.530 17685 6467 1 13 . 1 1 88 88 GLU CB C 413 29.021 29.021 29.093 -0.072 17685 6468 1 13 . 1 1 88 88 GLU H H 413 7.882 7.882 7.580 0.302 17685 6469 1 13 . 1 1 89 89 SER N N 414 116.823 116.823 116.316 0.507 17685 6470 1 13 . 1 1 89 89 SER HA H 414 3.765 3.765 4.052 -0.287 17685 6471 1 13 . 1 1 89 89 SER C C 414 176.091 176.091 176.165 -0.074 17685 6472 1 13 . 1 1 89 89 SER CA C 414 63.550 63.550 61.873 1.677 17685 6473 1 13 . 1 1 89 89 SER CB C 414 63.718 63.718 62.730 0.988 17685 6474 1 13 . 1 1 89 89 SER H H 414 8.296 8.296 8.188 0.108 17685 6475 1 13 . 1 1 90 90 ALA N N 415 123.230 123.230 124.571 -1.341 17685 6476 1 13 . 1 1 90 90 ALA HA H 415 3.831 3.831 3.889 -0.058 17685 6477 1 13 . 1 1 90 90 ALA C C 415 177.963 177.963 179.079 -1.116 17685 6478 1 13 . 1 1 90 90 ALA CA C 415 55.415 55.415 55.518 -0.103 17685 6479 1 13 . 1 1 90 90 ALA CB C 415 19.432 19.432 18.304 1.128 17685 6480 1 13 . 1 1 90 90 ALA H H 415 8.805 8.805 8.360 0.445 17685 6481 1 13 . 1 1 91 91 LYS N N 416 117.753 117.753 118.468 -0.715 17685 6482 1 13 . 1 1 91 91 LYS HA H 416 3.972 3.972 4.069 -0.097 17685 6483 1 13 . 1 1 91 91 LYS C C 416 178.198 178.198 179.066 -0.868 17685 6484 1 13 . 1 1 91 91 LYS CA C 416 59.817 59.817 58.989 0.828 17685 6485 1 13 . 1 1 91 91 LYS CB C 416 32.247 32.247 31.992 0.255 17685 6486 1 13 . 1 1 91 91 LYS H H 416 8.085 8.085 8.170 -0.085 17685 6487 1 13 . 1 1 92 92 THR N N 417 114.597 114.597 117.094 -2.497 17685 6488 1 13 . 1 1 92 92 THR HA H 417 4.075 4.075 4.024 0.051 17685 6489 1 13 . 1 1 92 92 THR C C 417 177.541 177.541 176.914 0.627 17685 6490 1 13 . 1 1 92 92 THR CA C 417 66.473 66.473 66.812 -0.340 17685 6491 1 13 . 1 1 92 92 THR CB C 417 69.070 69.070 68.453 0.617 17685 6492 1 13 . 1 1 92 92 THR H H 417 7.923 7.923 7.687 0.236 17685 6493 1 13 . 1 1 93 93 ILE N N 418 124.160 124.160 122.173 1.987 17685 6494 1 13 . 1 1 93 93 ILE HA H 418 3.662 3.662 3.629 0.033 17685 6495 1 13 . 1 1 93 93 ILE C C 418 178.114 178.114 177.561 0.553 17685 6496 1 13 . 1 1 93 93 ILE CA C 418 65.626 65.626 65.867 -0.241 17685 6497 1 13 . 1 1 93 93 ILE CB C 418 38.297 38.297 37.532 0.765 17685 6498 1 13 . 1 1 93 93 ILE H H 418 7.984 7.984 8.320 -0.336 17685 6499 1 13 . 1 1 94 94 VAL N N 419 121.566 121.566 120.244 1.322 17685 6500 1 13 . 1 1 94 94 VAL HA H 419 4.156 4.156 4.137 0.019 17685 6501 1 13 . 1 1 94 94 VAL C C 419 181.424 181.424 179.477 1.947 17685 6502 1 13 . 1 1 94 94 VAL CA C 419 65.808 65.808 65.489 0.319 17685 6503 1 13 . 1 1 94 94 VAL CB C 419 31.892 31.892 30.994 0.898 17685 6504 1 13 . 1 1 94 94 VAL H H 419 8.551 8.551 8.216 0.335 17685 6505 1 13 . 1 1 95 95 ASP N N 420 123.788 123.788 121.748 2.040 17685 6506 1 13 . 1 1 95 95 ASP HA H 420 4.477 4.477 4.459 0.018 17685 6507 1 13 . 1 1 95 95 ASP C C 420 178.220 178.220 177.983 0.237 17685 6508 1 13 . 1 1 95 95 ASP CA C 420 57.548 57.548 56.822 0.727 17685 6509 1 13 . 1 1 95 95 ASP CB C 420 39.850 39.850 40.946 -1.096 17685 6510 1 13 . 1 1 95 95 ASP H H 420 9.354 9.354 8.347 1.007 17685 6511 1 13 . 1 1 96 96 SER N N 421 111.960 111.960 112.510 -0.550 17685 6512 1 13 . 1 1 96 96 SER HA H 421 4.526 4.526 4.488 0.038 17685 6513 1 13 . 1 1 96 96 SER C C 421 175.345 175.345 174.627 0.718 17685 6514 1 13 . 1 1 96 96 SER CA C 421 59.433 59.433 58.802 0.631 17685 6515 1 13 . 1 1 96 96 SER CB C 421 64.264 64.264 63.835 0.429 17685 6516 1 13 . 1 1 96 96 SER H H 421 7.862 7.862 7.835 0.027 17685 6517 1 13 . 1 1 97 97 GLY N N 422 110.240 110.240 108.864 1.376 17685 6518 1 13 . 1 1 97 97 GLY C C 422 175.158 175.158 175.241 -0.083 17685 6519 1 13 . 1 1 97 97 GLY CA C 422 45.606 45.606 46.113 -0.507 17685 6520 1 13 . 1 1 97 97 GLY H H 422 8.063 8.063 7.668 0.395 17685 6521 1 13 . 1 1 98 98 LYS N N 423 120.213 120.213 119.266 0.947 17685 6522 1 13 . 1 1 98 98 LYS HA H 423 4.083 4.083 4.210 -0.127 17685 6523 1 13 . 1 1 98 98 LYS C C 423 176.681 176.681 176.590 0.091 17685 6524 1 13 . 1 1 98 98 LYS CA C 423 59.417 59.417 58.031 1.386 17685 6525 1 13 . 1 1 98 98 LYS CB C 423 33.453 33.453 33.390 0.063 17685 6526 1 13 . 1 1 98 98 LYS H H 423 7.992 7.992 8.139 -0.147 17685 6527 1 13 . 1 1 99 99 LEU N N 424 114.357 114.357 120.328 -5.971 17685 6528 1 13 . 1 1 99 99 LEU HA H 424 4.848 4.848 4.808 0.040 17685 6529 1 13 . 1 1 99 99 LEU C C 424 174.161 174.161 173.926 0.235 17685 6530 1 13 . 1 1 99 99 LEU CA C 424 52.225 52.225 51.733 0.492 17685 6531 1 13 . 1 1 99 99 LEU CB C 424 46.075 46.075 44.351 1.724 17685 6532 1 13 . 1 1 99 99 LEU H H 424 6.865 6.865 7.297 -0.432 17685 6533 1 13 . 1 1 100 100 PRO HA H 425 4.650 4.650 4.642 0.008 17685 6534 1 13 . 1 1 100 100 PRO C C 425 177.559 177.559 178.149 -0.590 17685 6535 1 13 . 1 1 100 100 PRO CA C 425 61.643 61.643 62.790 -1.147 17685 6536 1 13 . 1 1 100 100 PRO CB C 425 32.422 32.422 32.298 0.124 17685 6537 1 13 . 1 1 101 101 SER N N 426 117.043 117.043 118.872 -1.829 17685 6538 1 13 . 1 1 101 101 SER HA H 426 3.824 3.824 4.019 -0.195 17685 6539 1 13 . 1 1 101 101 SER C C 426 177.202 177.202 176.448 0.754 17685 6540 1 13 . 1 1 101 101 SER CA C 426 61.708 61.708 62.133 -0.424 17685 6541 1 13 . 1 1 101 101 SER CB C 426 62.706 62.706 62.434 0.272 17685 6542 1 13 . 1 1 101 101 SER H H 426 8.999 8.999 8.808 0.191 17685 6543 1 13 . 1 1 102 102 SER N N 427 114.761 114.761 115.615 -0.854 17685 6544 1 13 . 1 1 102 102 SER HA H 427 4.112 4.112 4.349 -0.237 17685 6545 1 13 . 1 1 102 102 SER C C 427 176.526 176.526 175.511 1.015 17685 6546 1 13 . 1 1 102 102 SER CA C 427 60.650 60.650 60.871 -0.221 17685 6547 1 13 . 1 1 102 102 SER CB C 427 62.213 62.213 62.777 -0.564 17685 6548 1 13 . 1 1 102 102 SER H H 427 8.115 8.115 8.121 -0.006 17685 6549 1 13 . 1 1 103 103 LEU N N 428 120.408 120.408 119.721 0.687 17685 6550 1 13 . 1 1 103 103 LEU HA H 428 4.435 4.435 4.223 0.212 17685 6551 1 13 . 1 1 103 103 LEU C C 428 176.698 176.698 177.147 -0.449 17685 6552 1 13 . 1 1 103 103 LEU CA C 428 55.847 55.847 56.395 -0.548 17685 6553 1 13 . 1 1 103 103 LEU CB C 428 42.586 42.586 42.002 0.584 17685 6554 1 13 . 1 1 103 103 LEU H H 428 7.320 7.320 7.954 -0.634 17685 6555 1 13 . 1 1 104 104 LEU N N 429 117.860 117.860 115.370 2.490 17685 6556 1 13 . 1 1 104 104 LEU HA H 429 4.995 4.995 4.582 0.413 17685 6557 1 13 . 1 1 104 104 LEU C C 429 178.320 178.320 178.426 -0.106 17685 6558 1 13 . 1 1 104 104 LEU CA C 429 52.672 52.672 55.813 -3.142 17685 6559 1 13 . 1 1 104 104 LEU CB C 429 43.039 43.039 43.411 -0.372 17685 6560 1 13 . 1 1 104 104 LEU H H 429 7.325 7.325 7.583 -0.258 17685 6561 1 13 . 1 1 105 105 SER N N 430 112.664 112.664 114.736 -2.072 17685 6562 1 13 . 1 1 105 105 SER HA H 430 4.259 4.259 4.020 0.239 17685 6563 1 13 . 1 1 105 105 SER C C 430 175.288 175.288 176.381 -1.093 17685 6564 1 13 . 1 1 105 105 SER CA C 430 61.247 61.247 61.362 -0.115 17685 6565 1 13 . 1 1 105 105 SER CB C 430 64.058 64.058 61.522 2.536 17685 6566 1 13 . 1 1 105 105 SER H H 430 6.990 6.990 8.690 -1.700 17685 6567 1 13 . 1 1 106 106 TYR N N 431 125.624 125.624 123.676 1.948 17685 6568 1 13 . 1 1 106 106 TYR HA H 431 4.060 4.060 4.065 -0.005 17685 6569 1 13 . 1 1 106 106 TYR C C 431 176.064 176.064 175.147 0.917 17685 6570 1 13 . 1 1 106 106 TYR CA C 431 61.449 61.449 61.250 0.199 17685 6571 1 13 . 1 1 106 106 TYR CB C 431 38.282 38.282 38.426 -0.144 17685 6572 1 13 . 1 1 106 106 TYR H H 431 10.433 10.433 8.439 1.994 17685 6573 1 13 . 1 1 107 107 PHE N N 432 113.203 113.203 111.345 1.858 17685 6574 1 13 . 1 1 107 107 PHE HA H 432 4.314 4.314 4.606 -0.292 17685 6575 1 13 . 1 1 107 107 PHE C C 432 173.901 173.901 175.052 -1.151 17685 6576 1 13 . 1 1 107 107 PHE CA C 432 59.810 59.810 58.174 1.636 17685 6577 1 13 . 1 1 107 107 PHE CB C 432 43.249 43.249 39.080 4.169 17685 6578 1 13 . 1 1 107 107 PHE H H 432 7.955 7.955 8.080 -0.125 17685 6579 1 14 . 1 1 22 22 SER N N 347 116.741 116.741 114.402 2.339 17685 6580 1 14 . 1 1 22 22 SER HA H 347 4.355 4.355 4.808 -0.453 17685 6581 1 14 . 1 1 22 22 SER C C 347 176.272 176.272 173.844 2.428 17685 6582 1 14 . 1 1 22 22 SER CA C 347 59.651 59.651 57.954 1.697 17685 6583 1 14 . 1 1 22 22 SER CB C 347 63.231 63.231 66.216 -2.985 17685 6584 1 14 . 1 1 22 22 SER H H 347 8.311 8.311 8.141 0.170 17685 6585 1 14 . 1 1 23 23 LYS N N 348 124.398 124.398 122.291 2.107 17685 6586 1 14 . 1 1 23 23 LYS HA H 348 4.142 4.142 4.262 -0.120 17685 6587 1 14 . 1 1 23 23 LYS C C 348 178.743 178.743 178.686 0.057 17685 6588 1 14 . 1 1 23 23 LYS CA C 348 59.304 59.304 59.059 0.245 17685 6589 1 14 . 1 1 23 23 LYS CB C 348 32.301 32.301 32.327 -0.026 17685 6590 1 14 . 1 1 23 23 LYS H H 348 8.611 8.611 8.655 -0.044 17685 6591 1 14 . 1 1 24 24 ALA N N 349 122.494 122.494 122.627 -0.133 17685 6592 1 14 . 1 1 24 24 ALA HA H 349 4.137 4.137 4.190 -0.053 17685 6593 1 14 . 1 1 24 24 ALA C C 349 179.869 179.869 179.636 0.233 17685 6594 1 14 . 1 1 24 24 ALA CA C 349 54.811 54.811 54.763 0.048 17685 6595 1 14 . 1 1 24 24 ALA CB C 349 18.284 18.284 18.023 0.262 17685 6596 1 14 . 1 1 24 24 ALA H H 349 8.245 8.245 8.306 -0.061 17685 6597 1 14 . 1 1 25 25 ALA N N 350 121.576 121.576 121.751 -0.175 17685 6598 1 14 . 1 1 25 25 ALA HA H 350 4.136 4.136 4.107 0.029 17685 6599 1 14 . 1 1 25 25 ALA C C 350 178.743 178.743 179.482 -0.739 17685 6600 1 14 . 1 1 25 25 ALA CA C 350 54.632 54.632 54.883 -0.251 17685 6601 1 14 . 1 1 25 25 ALA CB C 350 18.299 18.299 18.115 0.184 17685 6602 1 14 . 1 1 25 25 ALA H H 350 8.014 8.014 8.270 -0.256 17685 6603 1 14 . 1 1 26 26 LYS N N 351 119.618 119.618 119.281 0.337 17685 6604 1 14 . 1 1 26 26 LYS HA H 351 4.196 4.196 3.901 0.295 17685 6605 1 14 . 1 1 26 26 LYS C C 351 178.485 178.485 178.407 0.078 17685 6606 1 14 . 1 1 26 26 LYS CA C 351 60.014 60.014 60.034 -0.020 17685 6607 1 14 . 1 1 26 26 LYS CB C 351 32.511 32.511 32.192 0.319 17685 6608 1 14 . 1 1 26 26 LYS H H 351 7.831 7.831 8.291 -0.460 17685 6609 1 14 . 1 1 27 27 LYS N N 352 118.080 118.080 118.747 -0.667 17685 6610 1 14 . 1 1 27 27 LYS HA H 352 3.958 3.958 3.995 -0.037 17685 6611 1 14 . 1 1 27 27 LYS C C 352 179.564 179.564 178.747 0.817 17685 6612 1 14 . 1 1 27 27 LYS CA C 352 60.092 60.092 59.571 0.521 17685 6613 1 14 . 1 1 27 27 LYS CB C 352 32.550 32.550 32.329 0.221 17685 6614 1 14 . 1 1 27 27 LYS H H 352 7.905 7.905 7.850 0.055 17685 6615 1 14 . 1 1 28 28 LYS N N 353 119.878 119.878 119.187 0.691 17685 6616 1 14 . 1 1 28 28 LYS HA H 353 4.023 4.023 3.986 0.037 17685 6617 1 14 . 1 1 28 28 LYS C C 353 179.270 179.270 179.038 0.232 17685 6618 1 14 . 1 1 28 28 LYS CA C 353 59.806 59.806 59.568 0.238 17685 6619 1 14 . 1 1 28 28 LYS CB C 353 32.324 32.324 32.326 -0.002 17685 6620 1 14 . 1 1 28 28 LYS H H 353 7.934 7.934 7.613 0.321 17685 6621 1 14 . 1 1 29 29 ASN N N 354 119.780 119.780 118.138 1.642 17685 6622 1 14 . 1 1 29 29 ASN HA H 354 4.557 4.557 4.476 0.081 17685 6623 1 14 . 1 1 29 29 ASN C C 354 177.395 177.395 177.697 -0.302 17685 6624 1 14 . 1 1 29 29 ASN CA C 354 56.167 56.167 55.855 0.312 17685 6625 1 14 . 1 1 29 29 ASN CB C 354 37.928 37.928 38.097 -0.169 17685 6626 1 14 . 1 1 29 29 ASN H H 354 8.524 8.524 8.552 -0.028 17685 6627 1 14 . 1 1 30 30 LYS N N 355 118.850 118.850 120.194 -1.344 17685 6628 1 14 . 1 1 30 30 LYS HA H 355 3.820 3.820 3.901 -0.081 17685 6629 1 14 . 1 1 30 30 LYS C C 355 178.266 178.266 178.903 -0.637 17685 6630 1 14 . 1 1 30 30 LYS CA C 355 61.698 61.698 60.091 1.607 17685 6631 1 14 . 1 1 30 30 LYS CB C 355 33.000 33.000 32.204 0.796 17685 6632 1 14 . 1 1 30 30 LYS H H 355 8.599 8.599 8.505 0.094 17685 6633 1 14 . 1 1 31 31 ARG N N 356 118.226 118.226 119.562 -1.336 17685 6634 1 14 . 1 1 31 31 ARG HA H 356 3.940 3.940 4.097 -0.157 17685 6635 1 14 . 1 1 31 31 ARG C C 356 177.676 177.676 178.289 -0.613 17685 6636 1 14 . 1 1 31 31 ARG CA C 356 59.316 59.316 59.035 0.281 17685 6637 1 14 . 1 1 31 31 ARG CB C 356 30.266 30.266 30.244 0.022 17685 6638 1 14 . 1 1 31 31 ARG H H 356 7.809 7.809 7.647 0.162 17685 6639 1 14 . 1 1 32 32 ALA N N 357 120.780 120.780 122.770 -1.990 17685 6640 1 14 . 1 1 32 32 ALA HA H 357 4.104 4.104 4.040 0.064 17685 6641 1 14 . 1 1 32 32 ALA C C 357 181.157 181.157 179.677 1.480 17685 6642 1 14 . 1 1 32 32 ALA CA C 357 55.118 55.118 55.002 0.116 17685 6643 1 14 . 1 1 32 32 ALA CB C 357 18.064 18.064 18.482 -0.418 17685 6644 1 14 . 1 1 32 32 ALA H H 357 8.155 8.155 8.016 0.139 17685 6645 1 14 . 1 1 33 33 ILE N N 358 116.468 116.468 117.938 -1.470 17685 6646 1 14 . 1 1 33 33 ILE HA H 358 3.590 3.590 3.549 0.041 17685 6647 1 14 . 1 1 33 33 ILE C C 358 179.458 179.458 178.119 1.339 17685 6648 1 14 . 1 1 33 33 ILE CA C 358 65.775 65.775 65.212 0.563 17685 6649 1 14 . 1 1 33 33 ILE CB C 358 38.592 38.592 37.669 0.923 17685 6650 1 14 . 1 1 33 33 ILE H H 358 7.929 7.929 8.375 -0.446 17685 6651 1 14 . 1 1 34 34 ARG N N 359 119.937 119.937 119.078 0.859 17685 6652 1 14 . 1 1 34 34 ARG HA H 359 3.998 3.998 4.019 -0.021 17685 6653 1 14 . 1 1 34 34 ARG C C 359 179.124 179.124 179.218 -0.094 17685 6654 1 14 . 1 1 34 34 ARG CA C 359 60.029 60.029 59.730 0.299 17685 6655 1 14 . 1 1 34 34 ARG CB C 359 30.576 30.576 29.858 0.718 17685 6656 1 14 . 1 1 34 34 ARG H H 359 8.672 8.672 7.678 0.994 17685 6657 1 14 . 1 1 35 35 ASN N N 360 116.359 116.359 118.241 -1.882 17685 6658 1 14 . 1 1 35 35 ASN HA H 360 4.575 4.575 4.403 0.172 17685 6659 1 14 . 1 1 35 35 ASN C C 360 175.723 175.723 176.513 -0.790 17685 6660 1 14 . 1 1 35 35 ASN CA C 360 54.215 54.215 55.804 -1.589 17685 6661 1 14 . 1 1 35 35 ASN CB C 360 38.575 38.575 38.530 0.045 17685 6662 1 14 . 1 1 35 35 ASN H H 360 8.454 8.454 8.452 0.002 17685 6663 1 14 . 1 1 36 36 SER N N 361 115.734 115.734 116.295 -0.561 17685 6664 1 14 . 1 1 36 36 SER HA H 361 3.995 3.995 4.178 -0.183 17685 6665 1 14 . 1 1 36 36 SER C C 361 176.129 176.129 175.908 0.221 17685 6666 1 14 . 1 1 36 36 SER CA C 361 62.349 62.349 61.827 0.522 17685 6667 1 14 . 1 1 36 36 SER CB C 361 63.664 63.664 62.932 0.732 17685 6668 1 14 . 1 1 36 36 SER H H 361 7.617 7.617 7.800 -0.183 17685 6669 1 14 . 1 1 37 37 ALA N N 362 124.421 124.421 123.827 0.594 17685 6670 1 14 . 1 1 37 37 ALA HA H 362 3.770 3.770 3.793 -0.023 17685 6671 1 14 . 1 1 37 37 ALA C C 362 178.482 178.482 177.930 0.552 17685 6672 1 14 . 1 1 37 37 ALA CA C 362 54.821 54.821 53.979 0.842 17685 6673 1 14 . 1 1 37 37 ALA CB C 362 18.347 18.347 17.950 0.397 17685 6674 1 14 . 1 1 37 37 ALA H H 362 6.868 6.868 7.605 -0.737 17685 6675 1 14 . 1 1 38 38 LYS N N 363 122.319 122.319 117.886 4.433 17685 6676 1 14 . 1 1 38 38 LYS HA H 363 2.913 2.913 4.023 -1.110 17685 6677 1 14 . 1 1 38 38 LYS C C 363 180.669 180.669 179.468 1.201 17685 6678 1 14 . 1 1 38 38 LYS CA C 363 59.567 59.567 58.766 0.801 17685 6679 1 14 . 1 1 38 38 LYS CB C 363 31.563 31.563 32.339 -0.776 17685 6680 1 14 . 1 1 38 38 LYS H H 363 8.317 8.317 7.478 0.839 17685 6681 1 14 . 1 1 39 39 GLU N N 364 118.666 118.666 118.431 0.235 17685 6682 1 14 . 1 1 39 39 GLU HA H 364 4.015 4.015 4.194 -0.179 17685 6683 1 14 . 1 1 39 39 GLU C C 364 176.609 176.609 178.144 -1.535 17685 6684 1 14 . 1 1 39 39 GLU CA C 364 58.674 58.674 58.467 0.207 17685 6685 1 14 . 1 1 39 39 GLU CB C 364 29.058 29.058 30.024 -0.966 17685 6686 1 14 . 1 1 39 39 GLU H H 364 7.935 7.935 8.174 -0.239 17685 6687 1 14 . 1 1 40 40 ALA N N 365 121.145 121.145 119.389 1.756 17685 6688 1 14 . 1 1 40 40 ALA HA H 365 4.663 4.663 4.580 0.083 17685 6689 1 14 . 1 1 40 40 ALA C C 365 177.688 177.688 175.688 2.000 17685 6690 1 14 . 1 1 40 40 ALA CA C 365 50.931 50.931 50.875 0.056 17685 6691 1 14 . 1 1 40 40 ALA CB C 365 18.566 18.566 19.745 -1.179 17685 6692 1 14 . 1 1 40 40 ALA H H 365 7.049 7.049 7.904 -0.855 17685 6693 1 14 . 1 1 41 41 ASP N N 366 121.103 121.103 116.400 4.703 17685 6694 1 14 . 1 1 41 41 ASP HA H 366 4.338 4.338 4.213 0.125 17685 6695 1 14 . 1 1 41 41 ASP C C 366 175.644 175.644 174.950 0.694 17685 6696 1 14 . 1 1 41 41 ASP CA C 366 55.898 55.898 54.565 1.333 17685 6697 1 14 . 1 1 41 41 ASP CB C 366 39.353 39.353 40.921 -1.568 17685 6698 1 14 . 1 1 41 41 ASP H H 366 8.099 8.099 7.181 0.918 17685 6699 1 14 . 1 1 42 42 TYR N N 367 110.700 110.700 120.230 -9.530 17685 6700 1 14 . 1 1 42 42 TYR HA H 367 2.485 2.485 4.022 -1.537 17685 6701 1 14 . 1 1 42 42 TYR C C 367 174.307 174.307 175.917 -1.610 17685 6702 1 14 . 1 1 42 42 TYR CA C 367 61.064 61.064 57.937 3.127 17685 6703 1 14 . 1 1 42 42 TYR CB C 367 34.242 34.242 38.108 -3.866 17685 6704 1 14 . 1 1 42 42 TYR H H 367 8.364 8.364 8.775 -0.411 17685 6705 1 14 . 1 1 43 43 PHE N N 368 111.305 111.305 117.336 -6.031 17685 6706 1 14 . 1 1 43 43 PHE HA H 368 4.666 4.666 4.209 0.457 17685 6707 1 14 . 1 1 43 43 PHE C C 368 177.162 177.162 176.545 0.617 17685 6708 1 14 . 1 1 43 43 PHE CA C 368 56.561 56.561 58.601 -2.040 17685 6709 1 14 . 1 1 43 43 PHE CB C 368 36.514 36.514 36.060 0.454 17685 6710 1 14 . 1 1 43 43 PHE H H 368 7.666 7.666 7.643 0.023 17685 6711 1 14 . 1 1 44 44 GLY N N 369 106.300 106.300 106.319 -0.019 17685 6712 1 14 . 1 1 44 44 GLY C C 369 174.446 174.446 174.410 0.036 17685 6713 1 14 . 1 1 44 44 GLY CA C 369 45.780 45.780 45.053 0.727 17685 6714 1 14 . 1 1 44 44 GLY H H 369 7.671 7.671 8.252 -0.581 17685 6715 1 14 . 1 1 45 45 ASP N N 370 122.876 122.876 120.781 2.095 17685 6716 1 14 . 1 1 45 45 ASP HA H 370 5.323 5.323 4.867 0.456 17685 6717 1 14 . 1 1 45 45 ASP C C 370 176.360 176.360 176.238 0.122 17685 6718 1 14 . 1 1 45 45 ASP CA C 370 53.322 53.322 53.918 -0.596 17685 6719 1 14 . 1 1 45 45 ASP CB C 370 41.391 41.391 41.499 -0.108 17685 6720 1 14 . 1 1 45 45 ASP H H 370 8.331 8.331 8.090 0.241 17685 6721 1 14 . 1 1 46 46 ALA N N 371 121.771 121.771 123.462 -1.691 17685 6722 1 14 . 1 1 46 46 ALA HA H 371 3.600 3.600 3.707 -0.107 17685 6723 1 14 . 1 1 46 46 ALA C C 371 179.111 179.111 178.635 0.476 17685 6724 1 14 . 1 1 46 46 ALA CA C 371 56.038 56.038 54.573 1.465 17685 6725 1 14 . 1 1 46 46 ALA CB C 371 17.942 17.942 18.430 -0.488 17685 6726 1 14 . 1 1 46 46 ALA H H 371 8.282 8.282 8.313 -0.031 17685 6727 1 14 . 1 1 47 47 ASP N N 372 116.273 116.273 115.872 0.401 17685 6728 1 14 . 1 1 47 47 ASP HA H 372 4.359 4.359 4.443 -0.084 17685 6729 1 14 . 1 1 47 47 ASP C C 372 177.019 177.019 176.754 0.265 17685 6730 1 14 . 1 1 47 47 ASP CA C 372 55.832 55.832 55.613 0.219 17685 6731 1 14 . 1 1 47 47 ASP CB C 372 39.190 39.190 40.569 -1.379 17685 6732 1 14 . 1 1 47 47 ASP H H 372 9.068 9.068 8.721 0.347 17685 6733 1 14 . 1 1 48 48 LYS N N 373 120.180 120.180 116.455 3.725 17685 6734 1 14 . 1 1 48 48 LYS HA H 373 4.723 4.723 4.641 0.082 17685 6735 1 14 . 1 1 48 48 LYS C C 373 175.542 175.542 176.212 -0.670 17685 6736 1 14 . 1 1 48 48 LYS CA C 373 54.787 54.787 55.235 -0.448 17685 6737 1 14 . 1 1 48 48 LYS CB C 373 32.179 32.179 31.935 0.244 17685 6738 1 14 . 1 1 48 48 LYS H H 373 8.050 8.050 7.679 0.371 17685 6739 1 14 . 1 1 49 49 ALA N N 374 122.498 122.498 123.782 -1.284 17685 6740 1 14 . 1 1 49 49 ALA HA H 374 3.068 3.068 3.937 -0.869 17685 6741 1 14 . 1 1 49 49 ALA C C 374 177.781 177.781 179.164 -1.383 17685 6742 1 14 . 1 1 49 49 ALA CA C 374 56.962 56.962 56.177 0.785 17685 6743 1 14 . 1 1 49 49 ALA CB C 374 17.855 17.855 18.032 -0.176 17685 6744 1 14 . 1 1 49 49 ALA H H 374 7.045 7.045 7.443 -0.398 17685 6745 1 14 . 1 1 50 50 THR N N 375 108.573 108.573 112.988 -4.415 17685 6746 1 14 . 1 1 50 50 THR HA H 375 4.044 4.044 3.989 0.055 17685 6747 1 14 . 1 1 50 50 THR C C 375 177.647 177.647 176.513 1.134 17685 6748 1 14 . 1 1 50 50 THR CA C 375 66.201 66.201 67.758 -1.558 17685 6749 1 14 . 1 1 50 50 THR CB C 375 68.334 68.334 68.005 0.329 17685 6750 1 14 . 1 1 50 50 THR H H 375 8.285 8.285 8.336 -0.051 17685 6751 1 14 . 1 1 51 51 THR N N 376 120.018 120.018 119.727 0.291 17685 6752 1 14 . 1 1 51 51 THR HA H 376 4.147 4.147 4.082 0.065 17685 6753 1 14 . 1 1 51 51 THR C C 376 175.499 175.499 176.603 -1.104 17685 6754 1 14 . 1 1 51 51 THR CA C 376 66.145 66.145 66.753 -0.608 17685 6755 1 14 . 1 1 51 51 THR CB C 376 69.382 69.382 68.394 0.988 17685 6756 1 14 . 1 1 51 51 THR H H 376 7.359 7.359 7.395 -0.036 17685 6757 1 14 . 1 1 52 52 ILE N N 377 122.319 122.319 122.574 -0.255 17685 6758 1 14 . 1 1 52 52 ILE HA H 377 3.168 3.168 3.559 -0.391 17685 6759 1 14 . 1 1 52 52 ILE C C 377 177.879 177.879 177.369 0.510 17685 6760 1 14 . 1 1 52 52 ILE CA C 377 67.070 67.070 65.915 1.155 17685 6761 1 14 . 1 1 52 52 ILE CB C 377 38.257 38.257 37.477 0.780 17685 6762 1 14 . 1 1 52 52 ILE H H 377 8.346 8.346 8.617 -0.271 17685 6763 1 14 . 1 1 53 53 ASP N N 378 117.696 117.696 120.961 -3.265 17685 6764 1 14 . 1 1 53 53 ASP HA H 378 4.739 4.739 4.291 0.448 17685 6765 1 14 . 1 1 53 53 ASP C C 378 180.094 180.094 178.785 1.309 17685 6766 1 14 . 1 1 53 53 ASP CA C 378 58.044 58.044 58.238 -0.194 17685 6767 1 14 . 1 1 53 53 ASP CB C 378 39.648 39.648 40.907 -1.259 17685 6768 1 14 . 1 1 53 53 ASP H H 378 8.991 8.991 8.597 0.394 17685 6769 1 14 . 1 1 54 54 GLU N N 379 121.956 121.956 119.857 2.099 17685 6770 1 14 . 1 1 54 54 GLU HA H 379 4.174 4.174 3.994 0.180 17685 6771 1 14 . 1 1 54 54 GLU C C 379 179.679 179.679 179.292 0.387 17685 6772 1 14 . 1 1 54 54 GLU CA C 379 59.572 59.572 59.447 0.124 17685 6773 1 14 . 1 1 54 54 GLU CB C 379 29.324 29.324 29.688 -0.364 17685 6774 1 14 . 1 1 54 54 GLU H H 379 7.946 7.946 8.394 -0.448 17685 6775 1 14 . 1 1 55 55 GLN N N 380 120.733 120.733 119.141 1.592 17685 6776 1 14 . 1 1 55 55 GLN HA H 380 4.171 4.171 4.112 0.059 17685 6777 1 14 . 1 1 55 55 GLN C C 380 178.288 178.288 178.842 -0.554 17685 6778 1 14 . 1 1 55 55 GLN CA C 380 59.994 59.994 59.119 0.875 17685 6779 1 14 . 1 1 55 55 GLN CB C 380 29.566 29.566 29.101 0.465 17685 6780 1 14 . 1 1 55 55 GLN H H 380 8.357 8.357 8.241 0.116 17685 6781 1 14 . 1 1 56 56 VAL N N 381 120.353 120.353 119.730 0.623 17685 6782 1 14 . 1 1 56 56 VAL HA H 381 3.536 3.536 3.793 -0.257 17685 6783 1 14 . 1 1 56 56 VAL C C 381 178.220 178.220 178.180 0.040 17685 6784 1 14 . 1 1 56 56 VAL CA C 381 67.557 67.557 66.474 1.083 17685 6785 1 14 . 1 1 56 56 VAL CB C 381 31.349 31.349 30.936 0.413 17685 6786 1 14 . 1 1 56 56 VAL H H 381 9.484 9.484 8.805 0.679 17685 6787 1 14 . 1 1 57 57 GLY N N 382 106.926 106.926 108.230 -1.304 17685 6788 1 14 . 1 1 57 57 GLY C C 382 174.843 174.843 176.382 -1.539 17685 6789 1 14 . 1 1 57 57 GLY CA C 382 47.694 47.694 47.245 0.449 17685 6790 1 14 . 1 1 57 57 GLY H H 382 8.169 8.169 8.183 -0.014 17685 6791 1 14 . 1 1 58 58 LEU N N 383 120.610 120.610 122.558 -1.948 17685 6792 1 14 . 1 1 58 58 LEU HA H 383 4.151 4.151 4.031 0.120 17685 6793 1 14 . 1 1 58 58 LEU C C 383 180.087 180.087 179.042 1.045 17685 6794 1 14 . 1 1 58 58 LEU CA C 383 57.974 57.974 57.527 0.447 17685 6795 1 14 . 1 1 58 58 LEU CB C 383 42.125 42.125 41.788 0.336 17685 6796 1 14 . 1 1 58 58 LEU H H 383 7.568 7.568 8.153 -0.585 17685 6797 1 14 . 1 1 59 59 ILE N N 384 120.213 120.213 119.917 0.296 17685 6798 1 14 . 1 1 59 59 ILE HA H 384 3.416 3.416 3.582 -0.166 17685 6799 1 14 . 1 1 59 59 ILE C C 384 178.310 178.310 177.940 0.370 17685 6800 1 14 . 1 1 59 59 ILE CA C 384 66.069 66.069 65.698 0.370 17685 6801 1 14 . 1 1 59 59 ILE CB C 384 38.233 38.233 37.793 0.440 17685 6802 1 14 . 1 1 59 59 ILE H H 384 8.057 8.057 8.046 0.011 17685 6803 1 14 . 1 1 60 60 VAL N N 385 115.546 115.546 114.379 1.167 17685 6804 1 14 . 1 1 60 60 VAL HA H 385 3.560 3.560 3.633 -0.073 17685 6805 1 14 . 1 1 60 60 VAL C C 385 177.921 177.921 176.669 1.252 17685 6806 1 14 . 1 1 60 60 VAL CA C 385 66.702 66.702 65.449 1.253 17685 6807 1 14 . 1 1 60 60 VAL CB C 385 31.565 31.565 31.785 -0.220 17685 6808 1 14 . 1 1 60 60 VAL H H 385 8.672 8.672 8.121 0.551 17685 6809 1 14 . 1 1 61 61 ASP N N 386 117.831 117.831 118.624 -0.793 17685 6810 1 14 . 1 1 61 61 ASP HA H 386 4.571 4.571 4.508 0.063 17685 6811 1 14 . 1 1 61 61 ASP C C 386 177.238 177.238 178.307 -1.069 17685 6812 1 14 . 1 1 61 61 ASP CA C 386 56.184 56.184 56.402 -0.218 17685 6813 1 14 . 1 1 61 61 ASP CB C 386 40.632 40.632 41.685 -1.054 17685 6814 1 14 . 1 1 61 61 ASP H H 386 7.988 7.988 7.774 0.214 17685 6815 1 14 . 1 1 62 62 SER N N 387 114.761 114.761 115.876 -1.115 17685 6816 1 14 . 1 1 62 62 SER HA H 387 4.577 4.577 4.363 0.214 17685 6817 1 14 . 1 1 62 62 SER C C 387 173.645 173.645 174.963 -1.318 17685 6818 1 14 . 1 1 62 62 SER CA C 387 59.694 59.694 60.105 -0.411 17685 6819 1 14 . 1 1 62 62 SER CB C 387 64.588 64.588 63.824 0.764 17685 6820 1 14 . 1 1 62 62 SER H H 387 7.755 7.755 7.864 -0.109 17685 6821 1 14 . 1 1 63 63 LEU N N 388 121.610 121.610 120.639 0.971 17685 6822 1 14 . 1 1 63 63 LEU HA H 388 4.506 4.506 4.327 0.179 17685 6823 1 14 . 1 1 63 63 LEU C C 388 177.071 177.071 175.724 1.347 17685 6824 1 14 . 1 1 63 63 LEU CA C 388 54.490 54.490 54.227 0.263 17685 6825 1 14 . 1 1 63 63 LEU CB C 388 42.414 42.414 43.188 -0.774 17685 6826 1 14 . 1 1 63 63 LEU H H 388 7.083 7.083 7.491 -0.408 17685 6827 1 14 . 1 1 64 64 ASN N N 389 122.154 122.154 118.034 4.120 17685 6828 1 14 . 1 1 64 64 ASN HA H 389 4.748 4.748 4.651 0.097 17685 6829 1 14 . 1 1 64 64 ASN C C 389 175.144 175.144 175.484 -0.340 17685 6830 1 14 . 1 1 64 64 ASN CA C 389 51.898 51.898 52.270 -0.372 17685 6831 1 14 . 1 1 64 64 ASN CB C 389 37.762 37.762 39.858 -2.096 17685 6832 1 14 . 1 1 64 64 ASN H H 389 9.587 9.587 8.071 1.516 17685 6833 1 14 . 1 1 65 65 ASP N N 390 116.882 116.882 119.964 -3.082 17685 6834 1 14 . 1 1 65 65 ASP HA H 390 4.288 4.288 4.242 0.046 17685 6835 1 14 . 1 1 65 65 ASP C C 390 178.601 178.601 177.994 0.607 17685 6836 1 14 . 1 1 65 65 ASP CA C 390 58.992 58.992 58.188 0.804 17685 6837 1 14 . 1 1 65 65 ASP CB C 390 40.168 40.168 40.972 -0.804 17685 6838 1 14 . 1 1 65 65 ASP H H 390 8.504 8.504 8.824 -0.320 17685 6839 1 14 . 1 1 66 66 GLU N N 391 119.807 119.807 117.928 1.879 17685 6840 1 14 . 1 1 66 66 GLU HA H 391 4.048 4.048 4.091 -0.043 17685 6841 1 14 . 1 1 66 66 GLU C C 391 179.549 179.549 178.840 0.709 17685 6842 1 14 . 1 1 66 66 GLU CA C 391 59.943 59.943 59.329 0.614 17685 6843 1 14 . 1 1 66 66 GLU CB C 391 29.119 29.119 29.485 -0.366 17685 6844 1 14 . 1 1 66 66 GLU H H 391 8.318 8.318 8.635 -0.317 17685 6845 1 14 . 1 1 67 67 GLU N N 392 121.747 121.747 119.832 1.915 17685 6846 1 14 . 1 1 67 67 GLU HA H 392 4.151 4.151 4.154 -0.003 17685 6847 1 14 . 1 1 67 67 GLU C C 392 180.544 180.544 179.139 1.405 17685 6848 1 14 . 1 1 67 67 GLU CA C 392 58.307 58.307 58.563 -0.256 17685 6849 1 14 . 1 1 67 67 GLU CB C 392 30.933 30.933 29.281 1.652 17685 6850 1 14 . 1 1 67 67 GLU H H 392 8.709 8.709 7.842 0.867 17685 6851 1 14 . 1 1 68 68 LEU N N 393 123.523 123.523 121.101 2.422 17685 6852 1 14 . 1 1 68 68 LEU HA H 393 3.923 3.923 4.070 -0.147 17685 6853 1 14 . 1 1 68 68 LEU C C 393 178.151 178.151 179.507 -1.356 17685 6854 1 14 . 1 1 68 68 LEU CA C 393 58.642 58.642 57.988 0.654 17685 6855 1 14 . 1 1 68 68 LEU CB C 393 42.304 42.304 41.505 0.799 17685 6856 1 14 . 1 1 68 68 LEU H H 393 8.930 8.930 8.040 0.890 17685 6857 1 14 . 1 1 69 69 VAL N N 394 118.071 118.071 118.542 -0.471 17685 6858 1 14 . 1 1 69 69 VAL HA H 394 3.527 3.527 3.659 -0.132 17685 6859 1 14 . 1 1 69 69 VAL C C 394 177.701 177.701 177.618 0.083 17685 6860 1 14 . 1 1 69 69 VAL CA C 394 66.494 66.494 65.543 0.951 17685 6861 1 14 . 1 1 69 69 VAL CB C 394 32.103 32.103 31.140 0.963 17685 6862 1 14 . 1 1 69 69 VAL H H 394 7.304 7.304 7.596 -0.292 17685 6863 1 14 . 1 1 70 70 SER N N 395 112.686 112.686 115.936 -3.250 17685 6864 1 14 . 1 1 70 70 SER HA H 395 4.238 4.238 4.142 0.096 17685 6865 1 14 . 1 1 70 70 SER C C 395 177.618 177.618 176.737 0.881 17685 6866 1 14 . 1 1 70 70 SER CA C 395 61.410 61.410 62.671 -1.261 17685 6867 1 14 . 1 1 70 70 SER CB C 395 63.002 63.002 63.066 -0.064 17685 6868 1 14 . 1 1 70 70 SER H H 395 7.906 7.906 7.730 0.176 17685 6869 1 14 . 1 1 71 71 THR N N 396 118.003 118.003 114.715 3.288 17685 6870 1 14 . 1 1 71 71 THR HA H 396 3.767 3.767 4.004 -0.237 17685 6871 1 14 . 1 1 71 71 THR C C 396 175.404 175.404 176.380 -0.976 17685 6872 1 14 . 1 1 71 71 THR CA C 396 67.763 67.763 65.542 2.221 17685 6873 1 14 . 1 1 71 71 THR CB C 396 68.498 68.498 68.809 -0.311 17685 6874 1 14 . 1 1 71 71 THR H H 396 8.511 8.511 8.266 0.245 17685 6875 1 14 . 1 1 72 72 ALA N N 397 123.373 123.373 124.324 -0.951 17685 6876 1 14 . 1 1 72 72 ALA HA H 397 3.857 3.857 3.921 -0.064 17685 6877 1 14 . 1 1 72 72 ALA C C 397 180.173 180.173 179.168 1.005 17685 6878 1 14 . 1 1 72 72 ALA CA C 397 56.079 56.079 55.243 0.836 17685 6879 1 14 . 1 1 72 72 ALA CB C 397 17.767 17.767 18.376 -0.609 17685 6880 1 14 . 1 1 72 72 ALA H H 397 8.268 8.268 8.007 0.261 17685 6881 1 14 . 1 1 73 73 ASP N N 398 118.963 118.963 117.814 1.149 17685 6882 1 14 . 1 1 73 73 ASP HA H 398 4.382 4.382 4.390 -0.008 17685 6883 1 14 . 1 1 73 73 ASP C C 398 179.471 179.471 178.622 0.849 17685 6884 1 14 . 1 1 73 73 ASP CA C 398 57.692 57.692 57.055 0.637 17685 6885 1 14 . 1 1 73 73 ASP CB C 398 40.015 40.015 40.998 -0.983 17685 6886 1 14 . 1 1 73 73 ASP H H 398 8.585 8.585 8.265 0.320 17685 6887 1 14 . 1 1 74 74 LYS N N 399 120.591 120.591 119.334 1.257 17685 6888 1 14 . 1 1 74 74 LYS HA H 399 4.050 4.050 4.029 0.021 17685 6889 1 14 . 1 1 74 74 LYS C C 399 180.082 180.082 179.131 0.951 17685 6890 1 14 . 1 1 74 74 LYS CA C 399 60.001 60.001 59.253 0.748 17685 6891 1 14 . 1 1 74 74 LYS CB C 399 34.080 34.080 32.397 1.683 17685 6892 1 14 . 1 1 74 74 LYS H H 399 8.003 8.003 7.615 0.388 17685 6893 1 14 . 1 1 75 75 ILE N N 400 120.602 120.602 119.524 1.078 17685 6894 1 14 . 1 1 75 75 ILE HA H 400 3.687 3.687 3.952 -0.265 17685 6895 1 14 . 1 1 75 75 ILE C C 400 177.770 177.770 177.891 -0.121 17685 6896 1 14 . 1 1 75 75 ILE CA C 400 64.860 64.860 64.465 0.395 17685 6897 1 14 . 1 1 75 75 ILE CB C 400 38.253 38.253 37.837 0.416 17685 6898 1 14 . 1 1 75 75 ILE H H 400 7.877 7.877 7.812 0.065 17685 6899 1 14 . 1 1 76 76 LYS N N 401 120.036 120.036 118.629 1.407 17685 6900 1 14 . 1 1 76 76 LYS HA H 401 4.032 4.032 4.143 -0.111 17685 6901 1 14 . 1 1 76 76 LYS C C 401 178.423 178.423 178.031 0.392 17685 6902 1 14 . 1 1 76 76 LYS CA C 401 58.735 58.735 58.110 0.625 17685 6903 1 14 . 1 1 76 76 LYS CB C 401 32.325 32.325 31.572 0.753 17685 6904 1 14 . 1 1 76 76 LYS H H 401 8.260 8.260 7.510 0.750 17685 6905 1 14 . 1 1 77 77 ALA N N 402 118.655 118.655 120.911 -2.256 17685 6906 1 14 . 1 1 77 77 ALA HA H 402 4.205 4.205 4.297 -0.092 17685 6907 1 14 . 1 1 77 77 ALA C C 402 177.949 177.949 177.980 -0.031 17685 6908 1 14 . 1 1 77 77 ALA CA C 402 53.673 53.673 53.434 0.240 17685 6909 1 14 . 1 1 77 77 ALA CB C 402 19.018 19.018 19.583 -0.565 17685 6910 1 14 . 1 1 77 77 ALA H H 402 7.564 7.564 7.489 0.075 17685 6911 1 14 . 1 1 78 78 ASN N N 403 113.964 113.964 117.256 -3.292 17685 6912 1 14 . 1 1 78 78 ASN HA H 403 4.841 4.841 4.821 0.020 17685 6913 1 14 . 1 1 78 78 ASN C C 403 174.866 174.866 175.190 -0.324 17685 6914 1 14 . 1 1 78 78 ASN CA C 403 52.485 52.485 52.739 -0.254 17685 6915 1 14 . 1 1 78 78 ASN CB C 403 37.659 37.659 39.230 -1.571 17685 6916 1 14 . 1 1 78 78 ASN H H 403 7.397 7.397 7.808 -0.411 17685 6917 1 14 . 1 1 79 79 ALA N N 404 131.057 131.057 127.483 3.574 17685 6918 1 14 . 1 1 79 79 ALA HA H 404 4.160 4.160 4.312 -0.152 17685 6919 1 14 . 1 1 79 79 ALA C C 404 180.575 180.575 178.715 1.860 17685 6920 1 14 . 1 1 79 79 ALA CA C 404 56.271 56.271 54.568 1.703 17685 6921 1 14 . 1 1 79 79 ALA CB C 404 18.357 18.357 18.942 -0.585 17685 6922 1 14 . 1 1 79 79 ALA H H 404 9.143 9.143 8.649 0.493 17685 6923 1 14 . 1 1 80 80 ALA N N 405 117.862 117.862 119.624 -1.762 17685 6924 1 14 . 1 1 80 80 ALA HA H 405 4.362 4.362 4.195 0.167 17685 6925 1 14 . 1 1 80 80 ALA C C 405 179.218 179.218 178.028 1.190 17685 6926 1 14 . 1 1 80 80 ALA CA C 405 53.931 53.931 53.514 0.417 17685 6927 1 14 . 1 1 80 80 ALA CB C 405 18.226 18.226 18.833 -0.607 17685 6928 1 14 . 1 1 80 80 ALA H H 405 8.315 8.315 8.213 0.102 17685 6929 1 14 . 1 1 81 81 GLY N N 406 106.895 106.895 105.051 1.844 17685 6930 1 14 . 1 1 81 81 GLY C C 406 175.175 175.175 174.400 0.775 17685 6931 1 14 . 1 1 81 81 GLY CA C 406 45.363 45.363 43.984 1.379 17685 6932 1 14 . 1 1 81 81 GLY H H 406 7.908 7.908 7.527 0.381 17685 6933 1 14 . 1 1 82 82 ALA N N 407 120.775 120.775 124.718 -3.943 17685 6934 1 14 . 1 1 82 82 ALA HA H 407 3.971 3.971 3.979 -0.008 17685 6935 1 14 . 1 1 82 82 ALA C C 407 177.879 177.879 178.580 -0.701 17685 6936 1 14 . 1 1 82 82 ALA CA C 407 56.076 56.076 55.849 0.228 17685 6937 1 14 . 1 1 82 82 ALA CB C 407 19.120 19.120 18.944 0.176 17685 6938 1 14 . 1 1 82 82 ALA H H 407 7.574 7.574 7.721 -0.147 17685 6939 1 14 . 1 1 83 83 LYS N N 408 117.628 117.628 117.597 0.031 17685 6940 1 14 . 1 1 83 83 LYS HA H 408 3.352 3.352 3.886 -0.534 17685 6941 1 14 . 1 1 83 83 LYS C C 408 178.064 178.064 178.050 0.014 17685 6942 1 14 . 1 1 83 83 LYS CA C 408 61.404 61.404 59.865 1.539 17685 6943 1 14 . 1 1 83 83 LYS CB C 408 31.311 31.311 31.570 -0.259 17685 6944 1 14 . 1 1 83 83 LYS H H 408 8.755 8.755 8.343 0.412 17685 6945 1 14 . 1 1 84 84 GLU N N 409 116.005 116.005 118.637 -2.632 17685 6946 1 14 . 1 1 84 84 GLU HA H 409 3.994 3.994 4.077 -0.083 17685 6947 1 14 . 1 1 84 84 GLU C C 409 179.508 179.508 178.713 0.795 17685 6948 1 14 . 1 1 84 84 GLU CA C 409 59.300 59.300 59.036 0.264 17685 6949 1 14 . 1 1 84 84 GLU CB C 409 28.978 28.978 28.355 0.623 17685 6950 1 14 . 1 1 84 84 GLU H H 409 7.708 7.708 7.405 0.303 17685 6951 1 14 . 1 1 85 85 VAL N N 410 120.216 120.216 121.656 -1.440 17685 6952 1 14 . 1 1 85 85 VAL HA H 410 3.786 3.786 3.667 0.119 17685 6953 1 14 . 1 1 85 85 VAL C C 410 179.087 179.087 177.992 1.095 17685 6954 1 14 . 1 1 85 85 VAL CA C 410 66.066 66.066 66.759 -0.693 17685 6955 1 14 . 1 1 85 85 VAL CB C 410 32.060 32.060 31.403 0.657 17685 6956 1 14 . 1 1 85 85 VAL H H 410 7.494 7.494 8.027 -0.533 17685 6957 1 14 . 1 1 86 86 LEU N N 411 121.293 121.293 119.490 1.803 17685 6958 1 14 . 1 1 86 86 LEU HA H 411 3.871 3.871 3.834 0.037 17685 6959 1 14 . 1 1 86 86 LEU C C 411 178.844 178.844 179.203 -0.359 17685 6960 1 14 . 1 1 86 86 LEU CA C 411 58.100 58.100 57.095 1.005 17685 6961 1 14 . 1 1 86 86 LEU CB C 411 42.047 42.047 39.484 2.562 17685 6962 1 14 . 1 1 86 86 LEU H H 411 8.371 8.371 8.465 -0.094 17685 6963 1 14 . 1 1 87 87 LYS N N 412 119.536 119.536 118.610 0.926 17685 6964 1 14 . 1 1 87 87 LYS HA H 412 4.206 4.206 3.955 0.251 17685 6965 1 14 . 1 1 87 87 LYS C C 412 179.347 179.347 178.923 0.424 17685 6966 1 14 . 1 1 87 87 LYS CA C 412 60.924 60.924 60.313 0.611 17685 6967 1 14 . 1 1 87 87 LYS CB C 412 32.216 32.216 31.999 0.217 17685 6968 1 14 . 1 1 87 87 LYS H H 412 8.818 8.818 8.426 0.392 17685 6969 1 14 . 1 1 88 88 GLU N N 413 120.780 120.780 120.157 0.623 17685 6970 1 14 . 1 1 88 88 GLU HA H 413 4.127 4.127 4.105 0.022 17685 6971 1 14 . 1 1 88 88 GLU C C 413 179.469 179.469 178.946 0.523 17685 6972 1 14 . 1 1 88 88 GLU CA C 413 59.720 59.720 59.219 0.500 17685 6973 1 14 . 1 1 88 88 GLU CB C 413 29.021 29.021 29.281 -0.260 17685 6974 1 14 . 1 1 88 88 GLU H H 413 7.882 7.882 7.714 0.168 17685 6975 1 14 . 1 1 89 89 SER N N 414 116.823 116.823 116.754 0.069 17685 6976 1 14 . 1 1 89 89 SER HA H 414 3.765 3.765 4.119 -0.354 17685 6977 1 14 . 1 1 89 89 SER C C 414 176.091 176.091 176.678 -0.587 17685 6978 1 14 . 1 1 89 89 SER CA C 414 63.550 63.550 61.725 1.825 17685 6979 1 14 . 1 1 89 89 SER CB C 414 63.718 63.718 62.453 1.265 17685 6980 1 14 . 1 1 89 89 SER H H 414 8.296 8.296 8.087 0.209 17685 6981 1 14 . 1 1 90 90 ALA N N 415 123.230 123.230 124.921 -1.691 17685 6982 1 14 . 1 1 90 90 ALA HA H 415 3.831 3.831 3.876 -0.045 17685 6983 1 14 . 1 1 90 90 ALA C C 415 177.963 177.963 179.102 -1.139 17685 6984 1 14 . 1 1 90 90 ALA CA C 415 55.415 55.415 55.422 -0.007 17685 6985 1 14 . 1 1 90 90 ALA CB C 415 19.432 19.432 18.250 1.182 17685 6986 1 14 . 1 1 90 90 ALA H H 415 8.805 8.805 8.494 0.311 17685 6987 1 14 . 1 1 91 91 LYS N N 416 117.753 117.753 118.408 -0.655 17685 6988 1 14 . 1 1 91 91 LYS HA H 416 3.972 3.972 4.055 -0.083 17685 6989 1 14 . 1 1 91 91 LYS C C 416 178.198 178.198 178.983 -0.785 17685 6990 1 14 . 1 1 91 91 LYS CA C 416 59.817 59.817 58.975 0.842 17685 6991 1 14 . 1 1 91 91 LYS CB C 416 32.247 32.247 31.957 0.290 17685 6992 1 14 . 1 1 91 91 LYS H H 416 8.085 8.085 8.097 -0.012 17685 6993 1 14 . 1 1 92 92 THR N N 417 114.597 114.597 116.973 -2.376 17685 6994 1 14 . 1 1 92 92 THR HA H 417 4.075 4.075 4.035 0.040 17685 6995 1 14 . 1 1 92 92 THR C C 417 177.541 177.541 176.661 0.880 17685 6996 1 14 . 1 1 92 92 THR CA C 417 66.473 66.473 67.083 -0.610 17685 6997 1 14 . 1 1 92 92 THR CB C 417 69.070 69.070 68.355 0.715 17685 6998 1 14 . 1 1 92 92 THR H H 417 7.923 7.923 7.718 0.205 17685 6999 1 14 . 1 1 93 93 ILE N N 418 124.160 124.160 122.422 1.738 17685 7000 1 14 . 1 1 93 93 ILE HA H 418 3.662 3.662 3.632 0.030 17685 7001 1 14 . 1 1 93 93 ILE C C 418 178.114 178.114 177.727 0.387 17685 7002 1 14 . 1 1 93 93 ILE CA C 418 65.626 65.626 65.902 -0.276 17685 7003 1 14 . 1 1 93 93 ILE CB C 418 38.297 38.297 37.646 0.651 17685 7004 1 14 . 1 1 93 93 ILE H H 418 7.984 7.984 8.195 -0.211 17685 7005 1 14 . 1 1 94 94 VAL N N 419 121.566 121.566 120.382 1.184 17685 7006 1 14 . 1 1 94 94 VAL HA H 419 4.156 4.156 4.044 0.112 17685 7007 1 14 . 1 1 94 94 VAL C C 419 181.424 181.424 179.510 1.914 17685 7008 1 14 . 1 1 94 94 VAL CA C 419 65.808 65.808 65.609 0.199 17685 7009 1 14 . 1 1 94 94 VAL CB C 419 31.892 31.892 31.054 0.838 17685 7010 1 14 . 1 1 94 94 VAL H H 419 8.551 8.551 8.248 0.303 17685 7011 1 14 . 1 1 95 95 ASP N N 420 123.788 123.788 121.515 2.273 17685 7012 1 14 . 1 1 95 95 ASP HA H 420 4.477 4.477 4.475 0.002 17685 7013 1 14 . 1 1 95 95 ASP C C 420 178.220 178.220 177.915 0.305 17685 7014 1 14 . 1 1 95 95 ASP CA C 420 57.548 57.548 56.689 0.859 17685 7015 1 14 . 1 1 95 95 ASP CB C 420 39.850 39.850 40.918 -1.068 17685 7016 1 14 . 1 1 95 95 ASP H H 420 9.354 9.354 8.551 0.803 17685 7017 1 14 . 1 1 96 96 SER N N 421 111.960 111.960 112.875 -0.915 17685 7018 1 14 . 1 1 96 96 SER HA H 421 4.526 4.526 4.591 -0.065 17685 7019 1 14 . 1 1 96 96 SER C C 421 175.345 175.345 174.482 0.863 17685 7020 1 14 . 1 1 96 96 SER CA C 421 59.433 59.433 58.540 0.893 17685 7021 1 14 . 1 1 96 96 SER CB C 421 64.264 64.264 63.987 0.277 17685 7022 1 14 . 1 1 96 96 SER H H 421 7.862 7.862 7.698 0.164 17685 7023 1 14 . 1 1 97 97 GLY N N 422 110.240 110.240 108.607 1.633 17685 7024 1 14 . 1 1 97 97 GLY C C 422 175.158 175.158 175.583 -0.425 17685 7025 1 14 . 1 1 97 97 GLY CA C 422 45.606 45.606 45.934 -0.328 17685 7026 1 14 . 1 1 97 97 GLY H H 422 8.063 8.063 7.627 0.436 17685 7027 1 14 . 1 1 98 98 LYS N N 423 120.213 120.213 119.394 0.819 17685 7028 1 14 . 1 1 98 98 LYS HA H 423 4.083 4.083 4.266 -0.183 17685 7029 1 14 . 1 1 98 98 LYS C C 423 176.681 176.681 177.049 -0.368 17685 7030 1 14 . 1 1 98 98 LYS CA C 423 59.417 59.417 57.445 1.972 17685 7031 1 14 . 1 1 98 98 LYS CB C 423 33.453 33.453 33.201 0.252 17685 7032 1 14 . 1 1 98 98 LYS H H 423 7.992 7.992 8.532 -0.540 17685 7033 1 14 . 1 1 99 99 LEU N N 424 114.357 114.357 119.090 -4.733 17685 7034 1 14 . 1 1 99 99 LEU HA H 424 4.848 4.848 4.816 0.032 17685 7035 1 14 . 1 1 99 99 LEU C C 424 174.161 174.161 174.024 0.137 17685 7036 1 14 . 1 1 99 99 LEU CA C 424 52.225 52.225 51.846 0.379 17685 7037 1 14 . 1 1 99 99 LEU CB C 424 46.075 46.075 44.351 1.724 17685 7038 1 14 . 1 1 99 99 LEU H H 424 6.865 6.865 7.286 -0.421 17685 7039 1 14 . 1 1 100 100 PRO HA H 425 4.650 4.650 4.746 -0.096 17685 7040 1 14 . 1 1 100 100 PRO C C 425 177.559 177.559 178.109 -0.550 17685 7041 1 14 . 1 1 100 100 PRO CA C 425 61.643 61.643 62.497 -0.854 17685 7042 1 14 . 1 1 100 100 PRO CB C 425 32.422 32.422 32.354 0.068 17685 7043 1 14 . 1 1 101 101 SER N N 426 117.043 117.043 119.239 -2.196 17685 7044 1 14 . 1 1 101 101 SER HA H 426 3.824 3.824 4.116 -0.292 17685 7045 1 14 . 1 1 101 101 SER C C 426 177.202 177.202 176.326 0.876 17685 7046 1 14 . 1 1 101 101 SER CA C 426 61.708 61.708 61.485 0.223 17685 7047 1 14 . 1 1 101 101 SER CB C 426 62.706 62.706 62.275 0.431 17685 7048 1 14 . 1 1 101 101 SER H H 426 8.999 8.999 8.757 0.242 17685 7049 1 14 . 1 1 102 102 SER N N 427 114.761 114.761 117.470 -2.709 17685 7050 1 14 . 1 1 102 102 SER HA H 427 4.112 4.112 4.386 -0.274 17685 7051 1 14 . 1 1 102 102 SER C C 427 176.526 176.526 175.482 1.044 17685 7052 1 14 . 1 1 102 102 SER CA C 427 60.650 60.650 60.635 0.015 17685 7053 1 14 . 1 1 102 102 SER CB C 427 62.213 62.213 62.622 -0.409 17685 7054 1 14 . 1 1 102 102 SER H H 427 8.115 8.115 8.525 -0.410 17685 7055 1 14 . 1 1 103 103 LEU N N 428 120.408 120.408 119.061 1.347 17685 7056 1 14 . 1 1 103 103 LEU HA H 428 4.435 4.435 4.451 -0.016 17685 7057 1 14 . 1 1 103 103 LEU C C 428 176.698 176.698 175.660 1.038 17685 7058 1 14 . 1 1 103 103 LEU CA C 428 55.847 55.847 54.792 1.054 17685 7059 1 14 . 1 1 103 103 LEU CB C 428 42.586 42.586 42.282 0.304 17685 7060 1 14 . 1 1 103 103 LEU H H 428 7.320 7.320 7.959 -0.639 17685 7061 1 14 . 1 1 104 104 LEU N N 429 117.860 117.860 118.467 -0.607 17685 7062 1 14 . 1 1 104 104 LEU HA H 429 4.995 4.995 4.855 0.140 17685 7063 1 14 . 1 1 104 104 LEU C C 429 178.320 178.320 176.455 1.865 17685 7064 1 14 . 1 1 104 104 LEU CA C 429 52.672 52.672 53.974 -1.302 17685 7065 1 14 . 1 1 104 104 LEU CB C 429 43.039 43.039 42.303 0.736 17685 7066 1 14 . 1 1 104 104 LEU H H 429 7.325 7.325 7.819 -0.494 17685 7067 1 14 . 1 1 105 105 SER N N 430 112.664 112.664 116.444 -3.780 17685 7068 1 14 . 1 1 105 105 SER HA H 430 4.259 4.259 4.577 -0.318 17685 7069 1 14 . 1 1 105 105 SER C C 430 175.288 175.288 175.114 0.174 17685 7070 1 14 . 1 1 105 105 SER CA C 430 61.247 61.247 60.872 0.375 17685 7071 1 14 . 1 1 105 105 SER CB C 430 64.058 64.058 62.821 1.238 17685 7072 1 14 . 1 1 105 105 SER H H 430 6.990 6.990 7.960 -0.970 17685 7073 1 14 . 1 1 106 106 TYR N N 431 125.624 125.624 120.963 4.661 17685 7074 1 14 . 1 1 106 106 TYR HA H 431 4.060 4.060 4.252 -0.192 17685 7075 1 14 . 1 1 106 106 TYR C C 431 176.064 176.064 175.347 0.717 17685 7076 1 14 . 1 1 106 106 TYR CA C 431 61.449 61.449 59.905 1.544 17685 7077 1 14 . 1 1 106 106 TYR CB C 431 38.282 38.282 38.851 -0.569 17685 7078 1 14 . 1 1 106 106 TYR H H 431 10.433 10.433 7.727 2.706 17685 7079 1 14 . 1 1 107 107 PHE N N 432 113.203 113.203 112.865 0.338 17685 7080 1 14 . 1 1 107 107 PHE HA H 432 4.314 4.314 4.475 -0.161 17685 7081 1 14 . 1 1 107 107 PHE C C 432 173.901 173.901 175.987 -2.086 17685 7082 1 14 . 1 1 107 107 PHE CA C 432 59.810 59.810 59.489 0.321 17685 7083 1 14 . 1 1 107 107 PHE CB C 432 43.249 43.249 40.698 2.551 17685 7084 1 14 . 1 1 107 107 PHE H H 432 7.955 7.955 7.665 0.290 17685 7085 1 15 . 1 1 22 22 SER N N 347 116.741 116.741 116.633 0.108 17685 7086 1 15 . 1 1 22 22 SER HA H 347 4.355 4.355 4.227 0.128 17685 7087 1 15 . 1 1 22 22 SER C C 347 176.272 176.272 176.082 0.190 17685 7088 1 15 . 1 1 22 22 SER CA C 347 59.651 59.651 60.183 -0.532 17685 7089 1 15 . 1 1 22 22 SER CB C 347 63.231 63.231 63.673 -0.442 17685 7090 1 15 . 1 1 22 22 SER H H 347 8.311 8.311 8.643 -0.332 17685 7091 1 15 . 1 1 23 23 LYS N N 348 124.398 124.398 120.991 3.407 17685 7092 1 15 . 1 1 23 23 LYS HA H 348 4.142 4.142 4.186 -0.044 17685 7093 1 15 . 1 1 23 23 LYS C C 348 178.743 178.743 178.379 0.364 17685 7094 1 15 . 1 1 23 23 LYS CA C 348 59.304 59.304 58.698 0.606 17685 7095 1 15 . 1 1 23 23 LYS CB C 348 32.301 32.301 31.920 0.381 17685 7096 1 15 . 1 1 23 23 LYS H H 348 8.611 8.611 8.272 0.339 17685 7097 1 15 . 1 1 24 24 ALA N N 349 122.494 122.494 121.711 0.783 17685 7098 1 15 . 1 1 24 24 ALA HA H 349 4.137 4.137 4.223 -0.086 17685 7099 1 15 . 1 1 24 24 ALA C C 349 179.869 179.869 179.394 0.475 17685 7100 1 15 . 1 1 24 24 ALA CA C 349 54.811 54.811 54.643 0.168 17685 7101 1 15 . 1 1 24 24 ALA CB C 349 18.284 18.284 17.913 0.371 17685 7102 1 15 . 1 1 24 24 ALA H H 349 8.245 8.245 7.866 0.379 17685 7103 1 15 . 1 1 25 25 ALA N N 350 121.576 121.576 121.211 0.365 17685 7104 1 15 . 1 1 25 25 ALA HA H 350 4.136 4.136 4.020 0.116 17685 7105 1 15 . 1 1 25 25 ALA C C 350 178.743 178.743 179.309 -0.566 17685 7106 1 15 . 1 1 25 25 ALA CA C 350 54.632 54.632 55.071 -0.439 17685 7107 1 15 . 1 1 25 25 ALA CB C 350 18.299 18.299 18.131 0.168 17685 7108 1 15 . 1 1 25 25 ALA H H 350 8.014 8.014 7.559 0.455 17685 7109 1 15 . 1 1 26 26 LYS N N 351 119.618 119.618 119.709 -0.091 17685 7110 1 15 . 1 1 26 26 LYS HA H 351 4.196 4.196 4.146 0.050 17685 7111 1 15 . 1 1 26 26 LYS C C 351 178.485 178.485 178.693 -0.208 17685 7112 1 15 . 1 1 26 26 LYS CA C 351 60.014 60.014 59.095 0.919 17685 7113 1 15 . 1 1 26 26 LYS CB C 351 32.511 32.511 32.094 0.417 17685 7114 1 15 . 1 1 26 26 LYS H H 351 7.831 7.831 8.246 -0.415 17685 7115 1 15 . 1 1 27 27 LYS N N 352 118.080 118.080 118.807 -0.727 17685 7116 1 15 . 1 1 27 27 LYS HA H 352 3.958 3.958 3.963 -0.005 17685 7117 1 15 . 1 1 27 27 LYS C C 352 179.564 179.564 178.790 0.774 17685 7118 1 15 . 1 1 27 27 LYS CA C 352 60.092 60.092 59.830 0.262 17685 7119 1 15 . 1 1 27 27 LYS CB C 352 32.550 32.550 32.368 0.182 17685 7120 1 15 . 1 1 27 27 LYS H H 352 7.905 7.905 7.946 -0.041 17685 7121 1 15 . 1 1 28 28 LYS N N 353 119.878 119.878 118.728 1.150 17685 7122 1 15 . 1 1 28 28 LYS HA H 353 4.023 4.023 4.028 -0.005 17685 7123 1 15 . 1 1 28 28 LYS C C 353 179.270 179.270 179.108 0.162 17685 7124 1 15 . 1 1 28 28 LYS CA C 353 59.806 59.806 59.397 0.409 17685 7125 1 15 . 1 1 28 28 LYS CB C 353 32.324 32.324 32.370 -0.046 17685 7126 1 15 . 1 1 28 28 LYS H H 353 7.934 7.934 7.537 0.397 17685 7127 1 15 . 1 1 29 29 ASN N N 354 119.780 119.780 118.037 1.743 17685 7128 1 15 . 1 1 29 29 ASN HA H 354 4.557 4.557 4.436 0.121 17685 7129 1 15 . 1 1 29 29 ASN C C 354 177.395 177.395 177.431 -0.036 17685 7130 1 15 . 1 1 29 29 ASN CA C 354 56.167 56.167 55.875 0.292 17685 7131 1 15 . 1 1 29 29 ASN CB C 354 37.928 37.928 38.050 -0.122 17685 7132 1 15 . 1 1 29 29 ASN H H 354 8.524 8.524 8.622 -0.098 17685 7133 1 15 . 1 1 30 30 LYS N N 355 118.850 118.850 120.969 -2.119 17685 7134 1 15 . 1 1 30 30 LYS HA H 355 3.820 3.820 3.885 -0.065 17685 7135 1 15 . 1 1 30 30 LYS C C 355 178.266 178.266 178.809 -0.543 17685 7136 1 15 . 1 1 30 30 LYS CA C 355 61.698 61.698 59.860 1.838 17685 7137 1 15 . 1 1 30 30 LYS CB C 355 33.000 33.000 32.524 0.476 17685 7138 1 15 . 1 1 30 30 LYS H H 355 8.599 8.599 8.498 0.101 17685 7139 1 15 . 1 1 31 31 ARG N N 356 118.226 118.226 117.494 0.732 17685 7140 1 15 . 1 1 31 31 ARG HA H 356 3.940 3.940 4.190 -0.250 17685 7141 1 15 . 1 1 31 31 ARG C C 356 177.676 177.676 178.353 -0.677 17685 7142 1 15 . 1 1 31 31 ARG CA C 356 59.316 59.316 58.709 0.607 17685 7143 1 15 . 1 1 31 31 ARG CB C 356 30.266 30.266 29.862 0.404 17685 7144 1 15 . 1 1 31 31 ARG H H 356 7.809 7.809 7.517 0.292 17685 7145 1 15 . 1 1 32 32 ALA N N 357 120.780 120.780 123.068 -2.288 17685 7146 1 15 . 1 1 32 32 ALA HA H 357 4.104 4.104 4.056 0.048 17685 7147 1 15 . 1 1 32 32 ALA C C 357 181.157 181.157 179.576 1.581 17685 7148 1 15 . 1 1 32 32 ALA CA C 357 55.118 55.118 54.925 0.193 17685 7149 1 15 . 1 1 32 32 ALA CB C 357 18.064 18.064 18.629 -0.565 17685 7150 1 15 . 1 1 32 32 ALA H H 357 8.155 8.155 8.053 0.102 17685 7151 1 15 . 1 1 33 33 ILE N N 358 116.468 116.468 117.188 -0.720 17685 7152 1 15 . 1 1 33 33 ILE HA H 358 3.590 3.590 3.587 0.003 17685 7153 1 15 . 1 1 33 33 ILE C C 358 179.458 179.458 177.886 1.572 17685 7154 1 15 . 1 1 33 33 ILE CA C 358 65.775 65.775 65.084 0.691 17685 7155 1 15 . 1 1 33 33 ILE CB C 358 38.592 38.592 37.773 0.819 17685 7156 1 15 . 1 1 33 33 ILE H H 358 7.929 7.929 8.194 -0.265 17685 7157 1 15 . 1 1 34 34 ARG N N 359 119.937 119.937 119.768 0.169 17685 7158 1 15 . 1 1 34 34 ARG HA H 359 3.998 3.998 4.005 -0.007 17685 7159 1 15 . 1 1 34 34 ARG C C 359 179.124 179.124 178.957 0.167 17685 7160 1 15 . 1 1 34 34 ARG CA C 359 60.029 60.029 59.783 0.245 17685 7161 1 15 . 1 1 34 34 ARG CB C 359 30.576 30.576 29.779 0.797 17685 7162 1 15 . 1 1 34 34 ARG H H 359 8.672 8.672 7.407 1.265 17685 7163 1 15 . 1 1 35 35 ASN N N 360 116.359 116.359 117.836 -1.477 17685 7164 1 15 . 1 1 35 35 ASN HA H 360 4.575 4.575 4.452 0.123 17685 7165 1 15 . 1 1 35 35 ASN C C 360 175.723 175.723 176.605 -0.882 17685 7166 1 15 . 1 1 35 35 ASN CA C 360 54.215 54.215 55.507 -1.292 17685 7167 1 15 . 1 1 35 35 ASN CB C 360 38.575 38.575 37.799 0.776 17685 7168 1 15 . 1 1 35 35 ASN H H 360 8.454 8.454 8.077 0.377 17685 7169 1 15 . 1 1 36 36 SER N N 361 115.734 115.734 116.413 -0.679 17685 7170 1 15 . 1 1 36 36 SER HA H 361 3.995 3.995 4.138 -0.143 17685 7171 1 15 . 1 1 36 36 SER C C 361 176.129 176.129 176.022 0.107 17685 7172 1 15 . 1 1 36 36 SER CA C 361 62.349 62.349 61.949 0.400 17685 7173 1 15 . 1 1 36 36 SER CB C 361 63.664 63.664 62.840 0.824 17685 7174 1 15 . 1 1 36 36 SER H H 361 7.617 7.617 7.690 -0.073 17685 7175 1 15 . 1 1 37 37 ALA N N 362 124.421 124.421 123.722 0.699 17685 7176 1 15 . 1 1 37 37 ALA HA H 362 3.770 3.770 3.707 0.063 17685 7177 1 15 . 1 1 37 37 ALA C C 362 178.482 178.482 177.372 1.110 17685 7178 1 15 . 1 1 37 37 ALA CA C 362 54.821 54.821 53.924 0.897 17685 7179 1 15 . 1 1 37 37 ALA CB C 362 18.347 18.347 18.092 0.255 17685 7180 1 15 . 1 1 37 37 ALA H H 362 6.868 6.868 7.431 -0.563 17685 7181 1 15 . 1 1 38 38 LYS N N 363 122.319 122.319 117.354 4.965 17685 7182 1 15 . 1 1 38 38 LYS HA H 363 2.913 2.913 3.915 -1.002 17685 7183 1 15 . 1 1 38 38 LYS C C 363 180.669 180.669 179.142 1.527 17685 7184 1 15 . 1 1 38 38 LYS CA C 363 59.567 59.567 58.690 0.878 17685 7185 1 15 . 1 1 38 38 LYS CB C 363 31.563 31.563 32.615 -1.052 17685 7186 1 15 . 1 1 38 38 LYS H H 363 8.317 8.317 7.202 1.115 17685 7187 1 15 . 1 1 39 39 GLU N N 364 118.666 118.666 118.503 0.163 17685 7188 1 15 . 1 1 39 39 GLU HA H 364 4.015 4.015 4.164 -0.149 17685 7189 1 15 . 1 1 39 39 GLU C C 364 176.609 176.609 178.070 -1.461 17685 7190 1 15 . 1 1 39 39 GLU CA C 364 58.674 58.674 58.348 0.326 17685 7191 1 15 . 1 1 39 39 GLU CB C 364 29.058 29.058 29.990 -0.932 17685 7192 1 15 . 1 1 39 39 GLU H H 364 7.935 7.935 8.221 -0.286 17685 7193 1 15 . 1 1 40 40 ALA N N 365 121.145 121.145 119.529 1.616 17685 7194 1 15 . 1 1 40 40 ALA HA H 365 4.663 4.663 4.545 0.118 17685 7195 1 15 . 1 1 40 40 ALA C C 365 177.688 177.688 175.750 1.938 17685 7196 1 15 . 1 1 40 40 ALA CA C 365 50.931 50.931 50.836 0.096 17685 7197 1 15 . 1 1 40 40 ALA CB C 365 18.566 18.566 19.710 -1.144 17685 7198 1 15 . 1 1 40 40 ALA H H 365 7.049 7.049 7.848 -0.799 17685 7199 1 15 . 1 1 41 41 ASP N N 366 121.103 121.103 117.245 3.858 17685 7200 1 15 . 1 1 41 41 ASP HA H 366 4.338 4.338 4.183 0.155 17685 7201 1 15 . 1 1 41 41 ASP C C 366 175.644 175.644 174.796 0.848 17685 7202 1 15 . 1 1 41 41 ASP CA C 366 55.898 55.898 54.449 1.449 17685 7203 1 15 . 1 1 41 41 ASP CB C 366 39.353 39.353 40.919 -1.566 17685 7204 1 15 . 1 1 41 41 ASP H H 366 8.099 8.099 7.285 0.814 17685 7205 1 15 . 1 1 42 42 TYR N N 367 110.700 110.700 121.524 -10.824 17685 7206 1 15 . 1 1 42 42 TYR HA H 367 2.485 2.485 3.886 -1.401 17685 7207 1 15 . 1 1 42 42 TYR C C 367 174.307 174.307 176.104 -1.797 17685 7208 1 15 . 1 1 42 42 TYR CA C 367 61.064 61.064 58.841 2.223 17685 7209 1 15 . 1 1 42 42 TYR CB C 367 34.242 34.242 38.189 -3.947 17685 7210 1 15 . 1 1 42 42 TYR H H 367 8.364 8.364 8.774 -0.410 17685 7211 1 15 . 1 1 43 43 PHE N N 368 111.305 111.305 114.735 -3.430 17685 7212 1 15 . 1 1 43 43 PHE HA H 368 4.666 4.666 4.259 0.407 17685 7213 1 15 . 1 1 43 43 PHE C C 368 177.162 177.162 176.454 0.708 17685 7214 1 15 . 1 1 43 43 PHE CA C 368 56.561 56.561 58.491 -1.930 17685 7215 1 15 . 1 1 43 43 PHE CB C 368 36.514 36.514 36.132 0.382 17685 7216 1 15 . 1 1 43 43 PHE H H 368 7.666 7.666 8.112 -0.446 17685 7217 1 15 . 1 1 44 44 GLY N N 369 106.300 106.300 105.551 0.749 17685 7218 1 15 . 1 1 44 44 GLY C C 369 174.446 174.446 174.609 -0.163 17685 7219 1 15 . 1 1 44 44 GLY CA C 369 45.780 45.780 45.075 0.705 17685 7220 1 15 . 1 1 44 44 GLY H H 369 7.671 7.671 8.138 -0.467 17685 7221 1 15 . 1 1 45 45 ASP N N 370 122.876 122.876 120.690 2.186 17685 7222 1 15 . 1 1 45 45 ASP HA H 370 5.323 5.323 4.865 0.458 17685 7223 1 15 . 1 1 45 45 ASP C C 370 176.360 176.360 176.309 0.051 17685 7224 1 15 . 1 1 45 45 ASP CA C 370 53.322 53.322 53.891 -0.569 17685 7225 1 15 . 1 1 45 45 ASP CB C 370 41.391 41.391 41.557 -0.166 17685 7226 1 15 . 1 1 45 45 ASP H H 370 8.331 8.331 8.072 0.259 17685 7227 1 15 . 1 1 46 46 ALA N N 371 121.771 121.771 123.262 -1.491 17685 7228 1 15 . 1 1 46 46 ALA HA H 371 3.600 3.600 3.718 -0.118 17685 7229 1 15 . 1 1 46 46 ALA C C 371 179.111 179.111 178.893 0.218 17685 7230 1 15 . 1 1 46 46 ALA CA C 371 56.038 56.038 54.654 1.384 17685 7231 1 15 . 1 1 46 46 ALA CB C 371 17.942 17.942 18.556 -0.614 17685 7232 1 15 . 1 1 46 46 ALA H H 371 8.282 8.282 8.267 0.015 17685 7233 1 15 . 1 1 47 47 ASP N N 372 116.273 116.273 117.291 -1.018 17685 7234 1 15 . 1 1 47 47 ASP HA H 372 4.359 4.359 4.365 -0.006 17685 7235 1 15 . 1 1 47 47 ASP C C 372 177.019 177.019 177.149 -0.130 17685 7236 1 15 . 1 1 47 47 ASP CA C 372 55.832 55.832 56.656 -0.824 17685 7237 1 15 . 1 1 47 47 ASP CB C 372 39.190 39.190 40.661 -1.471 17685 7238 1 15 . 1 1 47 47 ASP H H 372 9.068 9.068 8.607 0.461 17685 7239 1 15 . 1 1 48 48 LYS N N 373 120.180 120.180 115.589 4.591 17685 7240 1 15 . 1 1 48 48 LYS HA H 373 4.723 4.723 4.594 0.129 17685 7241 1 15 . 1 1 48 48 LYS C C 373 175.542 175.542 176.104 -0.562 17685 7242 1 15 . 1 1 48 48 LYS CA C 373 54.787 54.787 54.811 -0.024 17685 7243 1 15 . 1 1 48 48 LYS CB C 373 32.179 32.179 31.861 0.318 17685 7244 1 15 . 1 1 48 48 LYS H H 373 8.050 8.050 7.723 0.327 17685 7245 1 15 . 1 1 49 49 ALA N N 374 122.498 122.498 123.164 -0.666 17685 7246 1 15 . 1 1 49 49 ALA HA H 374 3.068 3.068 3.837 -0.769 17685 7247 1 15 . 1 1 49 49 ALA C C 374 177.781 177.781 179.012 -1.231 17685 7248 1 15 . 1 1 49 49 ALA CA C 374 56.962 56.962 55.783 1.179 17685 7249 1 15 . 1 1 49 49 ALA CB C 374 17.855 17.855 17.616 0.238 17685 7250 1 15 . 1 1 49 49 ALA H H 374 7.045 7.045 7.476 -0.431 17685 7251 1 15 . 1 1 50 50 THR N N 375 108.573 108.573 112.708 -4.135 17685 7252 1 15 . 1 1 50 50 THR HA H 375 4.044 4.044 3.991 0.053 17685 7253 1 15 . 1 1 50 50 THR C C 375 177.647 177.647 176.533 1.114 17685 7254 1 15 . 1 1 50 50 THR CA C 375 66.201 66.201 67.680 -1.479 17685 7255 1 15 . 1 1 50 50 THR CB C 375 68.334 68.334 68.094 0.240 17685 7256 1 15 . 1 1 50 50 THR H H 375 8.285 8.285 8.348 -0.063 17685 7257 1 15 . 1 1 51 51 THR N N 376 120.018 120.018 119.850 0.168 17685 7258 1 15 . 1 1 51 51 THR HA H 376 4.147 4.147 4.309 -0.162 17685 7259 1 15 . 1 1 51 51 THR C C 376 175.499 175.499 176.722 -1.223 17685 7260 1 15 . 1 1 51 51 THR CA C 376 66.145 66.145 66.619 -0.474 17685 7261 1 15 . 1 1 51 51 THR CB C 376 69.382 69.382 68.520 0.862 17685 7262 1 15 . 1 1 51 51 THR H H 376 7.359 7.359 7.346 0.013 17685 7263 1 15 . 1 1 52 52 ILE N N 377 122.319 122.319 122.700 -0.381 17685 7264 1 15 . 1 1 52 52 ILE HA H 377 3.168 3.168 3.991 -0.823 17685 7265 1 15 . 1 1 52 52 ILE C C 377 177.879 177.879 178.157 -0.278 17685 7266 1 15 . 1 1 52 52 ILE CA C 377 67.070 67.070 65.639 1.431 17685 7267 1 15 . 1 1 52 52 ILE CB C 377 38.257 38.257 37.829 0.428 17685 7268 1 15 . 1 1 52 52 ILE H H 377 8.346 8.346 8.624 -0.278 17685 7269 1 15 . 1 1 53 53 ASP N N 378 117.696 117.696 120.270 -2.574 17685 7270 1 15 . 1 1 53 53 ASP HA H 378 4.739 4.739 4.326 0.413 17685 7271 1 15 . 1 1 53 53 ASP C C 378 180.094 180.094 178.555 1.539 17685 7272 1 15 . 1 1 53 53 ASP CA C 378 58.044 58.044 57.932 0.112 17685 7273 1 15 . 1 1 53 53 ASP CB C 378 39.648 39.648 40.953 -1.306 17685 7274 1 15 . 1 1 53 53 ASP H H 378 8.991 8.991 8.465 0.526 17685 7275 1 15 . 1 1 54 54 GLU N N 379 121.956 121.956 119.750 2.206 17685 7276 1 15 . 1 1 54 54 GLU HA H 379 4.174 4.174 3.946 0.228 17685 7277 1 15 . 1 1 54 54 GLU C C 379 179.679 179.679 179.156 0.523 17685 7278 1 15 . 1 1 54 54 GLU CA C 379 59.572 59.572 59.536 0.036 17685 7279 1 15 . 1 1 54 54 GLU CB C 379 29.324 29.324 29.665 -0.341 17685 7280 1 15 . 1 1 54 54 GLU H H 379 7.946 7.946 7.911 0.035 17685 7281 1 15 . 1 1 55 55 GLN N N 380 120.733 120.733 119.465 1.268 17685 7282 1 15 . 1 1 55 55 GLN HA H 380 4.171 4.171 4.094 0.077 17685 7283 1 15 . 1 1 55 55 GLN C C 380 178.288 178.288 178.838 -0.550 17685 7284 1 15 . 1 1 55 55 GLN CA C 380 59.994 59.994 59.118 0.876 17685 7285 1 15 . 1 1 55 55 GLN CB C 380 29.566 29.566 29.128 0.438 17685 7286 1 15 . 1 1 55 55 GLN H H 380 8.357 8.357 8.254 0.103 17685 7287 1 15 . 1 1 56 56 VAL N N 381 120.353 120.353 118.963 1.390 17685 7288 1 15 . 1 1 56 56 VAL HA H 381 3.536 3.536 3.510 0.026 17685 7289 1 15 . 1 1 56 56 VAL C C 381 178.220 178.220 178.221 -0.001 17685 7290 1 15 . 1 1 56 56 VAL CA C 381 67.557 67.557 66.465 1.092 17685 7291 1 15 . 1 1 56 56 VAL CB C 381 31.349 31.349 30.632 0.717 17685 7292 1 15 . 1 1 56 56 VAL H H 381 9.484 9.484 8.575 0.909 17685 7293 1 15 . 1 1 57 57 GLY N N 382 106.926 106.926 108.572 -1.646 17685 7294 1 15 . 1 1 57 57 GLY C C 382 174.843 174.843 176.364 -1.521 17685 7295 1 15 . 1 1 57 57 GLY CA C 382 47.694 47.694 47.315 0.379 17685 7296 1 15 . 1 1 57 57 GLY H H 382 8.169 8.169 7.839 0.330 17685 7297 1 15 . 1 1 58 58 LEU N N 383 120.610 120.610 123.005 -2.395 17685 7298 1 15 . 1 1 58 58 LEU HA H 383 4.151 4.151 4.004 0.147 17685 7299 1 15 . 1 1 58 58 LEU C C 383 180.087 180.087 179.050 1.037 17685 7300 1 15 . 1 1 58 58 LEU CA C 383 57.974 57.974 57.883 0.091 17685 7301 1 15 . 1 1 58 58 LEU CB C 383 42.125 42.125 41.626 0.499 17685 7302 1 15 . 1 1 58 58 LEU H H 383 7.568 7.568 8.283 -0.715 17685 7303 1 15 . 1 1 59 59 ILE N N 384 120.213 120.213 118.991 1.222 17685 7304 1 15 . 1 1 59 59 ILE HA H 384 3.416 3.416 3.516 -0.100 17685 7305 1 15 . 1 1 59 59 ILE C C 384 178.310 178.310 177.978 0.332 17685 7306 1 15 . 1 1 59 59 ILE CA C 384 66.069 66.069 65.644 0.425 17685 7307 1 15 . 1 1 59 59 ILE CB C 384 38.233 38.233 37.740 0.493 17685 7308 1 15 . 1 1 59 59 ILE H H 384 8.057 8.057 8.035 0.022 17685 7309 1 15 . 1 1 60 60 VAL N N 385 115.546 115.546 114.418 1.128 17685 7310 1 15 . 1 1 60 60 VAL HA H 385 3.560 3.560 3.631 -0.071 17685 7311 1 15 . 1 1 60 60 VAL C C 385 177.921 177.921 176.590 1.331 17685 7312 1 15 . 1 1 60 60 VAL CA C 385 66.702 66.702 65.395 1.306 17685 7313 1 15 . 1 1 60 60 VAL CB C 385 31.565 31.565 31.766 -0.201 17685 7314 1 15 . 1 1 60 60 VAL H H 385 8.672 8.672 8.144 0.528 17685 7315 1 15 . 1 1 61 61 ASP N N 386 117.831 117.831 117.867 -0.036 17685 7316 1 15 . 1 1 61 61 ASP HA H 386 4.571 4.571 4.512 0.059 17685 7317 1 15 . 1 1 61 61 ASP C C 386 177.238 177.238 177.781 -0.543 17685 7318 1 15 . 1 1 61 61 ASP CA C 386 56.184 56.184 56.322 -0.138 17685 7319 1 15 . 1 1 61 61 ASP CB C 386 40.632 40.632 41.491 -0.859 17685 7320 1 15 . 1 1 61 61 ASP H H 386 7.988 7.988 7.822 0.166 17685 7321 1 15 . 1 1 62 62 SER N N 387 114.761 114.761 114.340 0.421 17685 7322 1 15 . 1 1 62 62 SER HA H 387 4.577 4.577 4.432 0.145 17685 7323 1 15 . 1 1 62 62 SER C C 387 173.645 173.645 175.234 -1.589 17685 7324 1 15 . 1 1 62 62 SER CA C 387 59.694 59.694 59.629 0.065 17685 7325 1 15 . 1 1 62 62 SER CB C 387 64.588 64.588 63.889 0.699 17685 7326 1 15 . 1 1 62 62 SER H H 387 7.755 7.755 7.899 -0.144 17685 7327 1 15 . 1 1 63 63 LEU N N 388 121.610 121.610 121.267 0.343 17685 7328 1 15 . 1 1 63 63 LEU HA H 388 4.506 4.506 4.363 0.143 17685 7329 1 15 . 1 1 63 63 LEU C C 388 177.071 177.071 175.235 1.836 17685 7330 1 15 . 1 1 63 63 LEU CA C 388 54.490 54.490 54.581 -0.091 17685 7331 1 15 . 1 1 63 63 LEU CB C 388 42.414 42.414 43.075 -0.661 17685 7332 1 15 . 1 1 63 63 LEU H H 388 7.083 7.083 7.305 -0.222 17685 7333 1 15 . 1 1 64 64 ASN N N 389 122.154 122.154 117.710 4.444 17685 7334 1 15 . 1 1 64 64 ASN HA H 389 4.748 4.748 4.829 -0.081 17685 7335 1 15 . 1 1 64 64 ASN C C 389 175.144 175.144 175.678 -0.534 17685 7336 1 15 . 1 1 64 64 ASN CA C 389 51.898 51.898 52.191 -0.293 17685 7337 1 15 . 1 1 64 64 ASN CB C 389 37.762 37.762 40.287 -2.525 17685 7338 1 15 . 1 1 64 64 ASN H H 389 9.587 9.587 8.200 1.387 17685 7339 1 15 . 1 1 65 65 ASP N N 390 116.882 116.882 121.147 -4.265 17685 7340 1 15 . 1 1 65 65 ASP HA H 390 4.288 4.288 4.275 0.013 17685 7341 1 15 . 1 1 65 65 ASP C C 390 178.601 178.601 177.691 0.910 17685 7342 1 15 . 1 1 65 65 ASP CA C 390 58.992 58.992 57.965 1.027 17685 7343 1 15 . 1 1 65 65 ASP CB C 390 40.168 40.168 40.738 -0.570 17685 7344 1 15 . 1 1 65 65 ASP H H 390 8.504 8.504 8.881 -0.377 17685 7345 1 15 . 1 1 66 66 GLU N N 391 119.807 119.807 118.211 1.596 17685 7346 1 15 . 1 1 66 66 GLU HA H 391 4.048 4.048 4.098 -0.050 17685 7347 1 15 . 1 1 66 66 GLU C C 391 179.549 179.549 179.208 0.341 17685 7348 1 15 . 1 1 66 66 GLU CA C 391 59.943 59.943 59.574 0.369 17685 7349 1 15 . 1 1 66 66 GLU CB C 391 29.119 29.119 28.907 0.212 17685 7350 1 15 . 1 1 66 66 GLU H H 391 8.318 8.318 8.743 -0.425 17685 7351 1 15 . 1 1 67 67 GLU N N 392 121.747 121.747 119.681 2.066 17685 7352 1 15 . 1 1 67 67 GLU HA H 392 4.151 4.151 4.151 0.000 17685 7353 1 15 . 1 1 67 67 GLU C C 392 180.544 180.544 179.255 1.289 17685 7354 1 15 . 1 1 67 67 GLU CA C 392 58.307 58.307 58.659 -0.352 17685 7355 1 15 . 1 1 67 67 GLU CB C 392 30.933 30.933 28.998 1.935 17685 7356 1 15 . 1 1 67 67 GLU H H 392 8.709 8.709 7.563 1.146 17685 7357 1 15 . 1 1 68 68 LEU N N 393 123.523 123.523 120.595 2.928 17685 7358 1 15 . 1 1 68 68 LEU HA H 393 3.923 3.923 4.073 -0.150 17685 7359 1 15 . 1 1 68 68 LEU C C 393 178.151 178.151 179.341 -1.190 17685 7360 1 15 . 1 1 68 68 LEU CA C 393 58.642 58.642 57.803 0.839 17685 7361 1 15 . 1 1 68 68 LEU CB C 393 42.304 42.304 41.641 0.663 17685 7362 1 15 . 1 1 68 68 LEU H H 393 8.930 8.930 8.543 0.387 17685 7363 1 15 . 1 1 69 69 VAL N N 394 118.071 118.071 118.944 -0.873 17685 7364 1 15 . 1 1 69 69 VAL HA H 394 3.527 3.527 3.656 -0.129 17685 7365 1 15 . 1 1 69 69 VAL C C 394 177.701 177.701 178.361 -0.660 17685 7366 1 15 . 1 1 69 69 VAL CA C 394 66.494 66.494 66.254 0.240 17685 7367 1 15 . 1 1 69 69 VAL CB C 394 32.103 32.103 30.485 1.619 17685 7368 1 15 . 1 1 69 69 VAL H H 394 7.304 7.304 8.008 -0.704 17685 7369 1 15 . 1 1 70 70 SER N N 395 112.686 112.686 114.981 -2.295 17685 7370 1 15 . 1 1 70 70 SER HA H 395 4.238 4.238 4.196 0.042 17685 7371 1 15 . 1 1 70 70 SER C C 395 177.618 177.618 176.853 0.765 17685 7372 1 15 . 1 1 70 70 SER CA C 395 61.410 61.410 61.909 -0.499 17685 7373 1 15 . 1 1 70 70 SER CB C 395 63.002 63.002 62.951 0.051 17685 7374 1 15 . 1 1 70 70 SER H H 395 7.906 7.906 8.103 -0.197 17685 7375 1 15 . 1 1 71 71 THR N N 396 118.003 118.003 113.893 4.110 17685 7376 1 15 . 1 1 71 71 THR HA H 396 3.767 3.767 4.174 -0.407 17685 7377 1 15 . 1 1 71 71 THR C C 396 175.404 175.404 176.498 -1.094 17685 7378 1 15 . 1 1 71 71 THR CA C 396 67.763 67.763 65.185 2.578 17685 7379 1 15 . 1 1 71 71 THR CB C 396 68.498 68.498 69.020 -0.522 17685 7380 1 15 . 1 1 71 71 THR H H 396 8.511 8.511 7.857 0.654 17685 7381 1 15 . 1 1 72 72 ALA N N 397 123.373 123.373 124.516 -1.143 17685 7382 1 15 . 1 1 72 72 ALA HA H 397 3.857 3.857 4.020 -0.163 17685 7383 1 15 . 1 1 72 72 ALA C C 397 180.173 180.173 179.096 1.077 17685 7384 1 15 . 1 1 72 72 ALA CA C 397 56.079 56.079 54.955 1.124 17685 7385 1 15 . 1 1 72 72 ALA CB C 397 17.767 17.767 18.261 -0.494 17685 7386 1 15 . 1 1 72 72 ALA H H 397 8.268 8.268 8.388 -0.120 17685 7387 1 15 . 1 1 73 73 ASP N N 398 118.963 118.963 118.222 0.741 17685 7388 1 15 . 1 1 73 73 ASP HA H 398 4.382 4.382 4.293 0.089 17685 7389 1 15 . 1 1 73 73 ASP C C 398 179.471 179.471 178.624 0.847 17685 7390 1 15 . 1 1 73 73 ASP CA C 398 57.692 57.692 57.695 -0.003 17685 7391 1 15 . 1 1 73 73 ASP CB C 398 40.015 40.015 40.931 -0.916 17685 7392 1 15 . 1 1 73 73 ASP H H 398 8.585 8.585 8.611 -0.026 17685 7393 1 15 . 1 1 74 74 LYS N N 399 120.591 120.591 118.416 2.175 17685 7394 1 15 . 1 1 74 74 LYS HA H 399 4.050 4.050 4.032 0.018 17685 7395 1 15 . 1 1 74 74 LYS C C 399 180.082 180.082 178.855 1.227 17685 7396 1 15 . 1 1 74 74 LYS CA C 399 60.001 60.001 59.166 0.835 17685 7397 1 15 . 1 1 74 74 LYS CB C 399 34.080 34.080 32.581 1.499 17685 7398 1 15 . 1 1 74 74 LYS H H 399 8.003 8.003 7.316 0.687 17685 7399 1 15 . 1 1 75 75 ILE N N 400 120.602 120.602 119.923 0.679 17685 7400 1 15 . 1 1 75 75 ILE HA H 400 3.687 3.687 3.990 -0.303 17685 7401 1 15 . 1 1 75 75 ILE C C 400 177.770 177.770 177.926 -0.156 17685 7402 1 15 . 1 1 75 75 ILE CA C 400 64.860 64.860 64.599 0.261 17685 7403 1 15 . 1 1 75 75 ILE CB C 400 38.253 38.253 37.728 0.525 17685 7404 1 15 . 1 1 75 75 ILE H H 400 7.877 7.877 7.635 0.242 17685 7405 1 15 . 1 1 76 76 LYS N N 401 120.036 120.036 118.389 1.647 17685 7406 1 15 . 1 1 76 76 LYS HA H 401 4.032 4.032 4.090 -0.058 17685 7407 1 15 . 1 1 76 76 LYS C C 401 178.423 178.423 177.856 0.567 17685 7408 1 15 . 1 1 76 76 LYS CA C 401 58.735 58.735 58.270 0.465 17685 7409 1 15 . 1 1 76 76 LYS CB C 401 32.325 32.325 31.741 0.584 17685 7410 1 15 . 1 1 76 76 LYS H H 401 8.260 8.260 8.300 -0.040 17685 7411 1 15 . 1 1 77 77 ALA N N 402 118.655 118.655 119.331 -0.676 17685 7412 1 15 . 1 1 77 77 ALA HA H 402 4.205 4.205 4.364 -0.159 17685 7413 1 15 . 1 1 77 77 ALA C C 402 177.949 177.949 177.623 0.326 17685 7414 1 15 . 1 1 77 77 ALA CA C 402 53.673 53.673 52.834 0.839 17685 7415 1 15 . 1 1 77 77 ALA CB C 402 19.018 19.018 19.805 -0.787 17685 7416 1 15 . 1 1 77 77 ALA H H 402 7.564 7.564 7.287 0.277 17685 7417 1 15 . 1 1 78 78 ASN N N 403 113.964 113.964 117.190 -3.226 17685 7418 1 15 . 1 1 78 78 ASN HA H 403 4.841 4.841 4.918 -0.077 17685 7419 1 15 . 1 1 78 78 ASN C C 403 174.866 174.866 174.597 0.269 17685 7420 1 15 . 1 1 78 78 ASN CA C 403 52.485 52.485 52.934 -0.449 17685 7421 1 15 . 1 1 78 78 ASN CB C 403 37.659 37.659 40.241 -2.582 17685 7422 1 15 . 1 1 78 78 ASN H H 403 7.397 7.397 7.765 -0.368 17685 7423 1 15 . 1 1 79 79 ALA N N 404 131.057 131.057 126.628 4.429 17685 7424 1 15 . 1 1 79 79 ALA HA H 404 4.160 4.160 4.131 0.029 17685 7425 1 15 . 1 1 79 79 ALA C C 404 180.575 180.575 178.962 1.613 17685 7426 1 15 . 1 1 79 79 ALA CA C 404 56.271 56.271 55.247 1.024 17685 7427 1 15 . 1 1 79 79 ALA CB C 404 18.357 18.357 19.150 -0.793 17685 7428 1 15 . 1 1 79 79 ALA H H 404 9.143 9.143 8.494 0.649 17685 7429 1 15 . 1 1 80 80 ALA N N 405 117.862 117.862 121.029 -3.167 17685 7430 1 15 . 1 1 80 80 ALA HA H 405 4.362 4.362 4.227 0.135 17685 7431 1 15 . 1 1 80 80 ALA C C 405 179.218 179.218 178.374 0.844 17685 7432 1 15 . 1 1 80 80 ALA CA C 405 53.931 53.931 53.914 0.017 17685 7433 1 15 . 1 1 80 80 ALA CB C 405 18.226 18.226 18.574 -0.348 17685 7434 1 15 . 1 1 80 80 ALA H H 405 8.315 8.315 8.371 -0.056 17685 7435 1 15 . 1 1 81 81 GLY N N 406 106.895 106.895 104.013 2.882 17685 7436 1 15 . 1 1 81 81 GLY C C 406 175.175 175.175 174.532 0.643 17685 7437 1 15 . 1 1 81 81 GLY CA C 406 45.363 45.363 43.637 1.726 17685 7438 1 15 . 1 1 81 81 GLY H H 406 7.908 7.908 7.895 0.013 17685 7439 1 15 . 1 1 82 82 ALA N N 407 120.775 120.775 124.343 -3.568 17685 7440 1 15 . 1 1 82 82 ALA HA H 407 3.971 3.971 4.160 -0.189 17685 7441 1 15 . 1 1 82 82 ALA C C 407 177.879 177.879 178.531 -0.652 17685 7442 1 15 . 1 1 82 82 ALA CA C 407 56.076 56.076 54.858 1.218 17685 7443 1 15 . 1 1 82 82 ALA CB C 407 19.120 19.120 19.010 0.110 17685 7444 1 15 . 1 1 82 82 ALA H H 407 7.574 7.574 7.712 -0.138 17685 7445 1 15 . 1 1 83 83 LYS N N 408 117.628 117.628 118.485 -0.857 17685 7446 1 15 . 1 1 83 83 LYS HA H 408 3.352 3.352 3.935 -0.583 17685 7447 1 15 . 1 1 83 83 LYS C C 408 178.064 178.064 177.950 0.114 17685 7448 1 15 . 1 1 83 83 LYS CA C 408 61.404 61.404 59.868 1.536 17685 7449 1 15 . 1 1 83 83 LYS CB C 408 31.311 31.311 31.757 -0.446 17685 7450 1 15 . 1 1 83 83 LYS H H 408 8.755 8.755 8.293 0.462 17685 7451 1 15 . 1 1 84 84 GLU N N 409 116.005 116.005 117.438 -1.433 17685 7452 1 15 . 1 1 84 84 GLU HA H 409 3.994 3.994 4.037 -0.043 17685 7453 1 15 . 1 1 84 84 GLU C C 409 179.508 179.508 178.394 1.114 17685 7454 1 15 . 1 1 84 84 GLU CA C 409 59.300 59.300 59.096 0.204 17685 7455 1 15 . 1 1 84 84 GLU CB C 409 28.978 28.978 28.310 0.668 17685 7456 1 15 . 1 1 84 84 GLU H H 409 7.708 7.708 8.518 -0.810 17685 7457 1 15 . 1 1 85 85 VAL N N 410 120.216 120.216 120.434 -0.218 17685 7458 1 15 . 1 1 85 85 VAL HA H 410 3.786 3.786 3.794 -0.008 17685 7459 1 15 . 1 1 85 85 VAL C C 410 179.087 179.087 177.695 1.392 17685 7460 1 15 . 1 1 85 85 VAL CA C 410 66.066 66.066 65.999 0.067 17685 7461 1 15 . 1 1 85 85 VAL CB C 410 32.060 32.060 31.774 0.286 17685 7462 1 15 . 1 1 85 85 VAL H H 410 7.494 7.494 7.424 0.070 17685 7463 1 15 . 1 1 86 86 LEU N N 411 121.293 121.293 121.156 0.137 17685 7464 1 15 . 1 1 86 86 LEU HA H 411 3.871 3.871 3.967 -0.096 17685 7465 1 15 . 1 1 86 86 LEU C C 411 178.844 178.844 179.644 -0.800 17685 7466 1 15 . 1 1 86 86 LEU CA C 411 58.100 58.100 57.528 0.572 17685 7467 1 15 . 1 1 86 86 LEU CB C 411 42.047 42.047 40.084 1.963 17685 7468 1 15 . 1 1 86 86 LEU H H 411 8.371 8.371 7.990 0.381 17685 7469 1 15 . 1 1 87 87 LYS N N 412 119.536 119.536 118.120 1.416 17685 7470 1 15 . 1 1 87 87 LYS HA H 412 4.206 4.206 4.214 -0.008 17685 7471 1 15 . 1 1 87 87 LYS C C 412 179.347 179.347 179.227 0.120 17685 7472 1 15 . 1 1 87 87 LYS CA C 412 60.924 60.924 60.028 0.896 17685 7473 1 15 . 1 1 87 87 LYS CB C 412 32.216 32.216 32.159 0.057 17685 7474 1 15 . 1 1 87 87 LYS H H 412 8.818 8.818 8.732 0.086 17685 7475 1 15 . 1 1 88 88 GLU N N 413 120.780 120.780 119.604 1.176 17685 7476 1 15 . 1 1 88 88 GLU HA H 413 4.127 4.127 4.219 -0.092 17685 7477 1 15 . 1 1 88 88 GLU C C 413 179.469 179.469 178.957 0.512 17685 7478 1 15 . 1 1 88 88 GLU CA C 413 59.720 59.720 58.791 0.929 17685 7479 1 15 . 1 1 88 88 GLU CB C 413 29.021 29.021 29.373 -0.352 17685 7480 1 15 . 1 1 88 88 GLU H H 413 7.882 7.882 7.827 0.055 17685 7481 1 15 . 1 1 89 89 SER N N 414 116.823 116.823 116.368 0.455 17685 7482 1 15 . 1 1 89 89 SER HA H 414 3.765 3.765 4.230 -0.465 17685 7483 1 15 . 1 1 89 89 SER C C 414 176.091 176.091 176.683 -0.592 17685 7484 1 15 . 1 1 89 89 SER CA C 414 63.550 63.550 61.265 2.285 17685 7485 1 15 . 1 1 89 89 SER CB C 414 63.718 63.718 62.996 0.722 17685 7486 1 15 . 1 1 89 89 SER H H 414 8.296 8.296 8.178 0.118 17685 7487 1 15 . 1 1 90 90 ALA N N 415 123.230 123.230 125.101 -1.871 17685 7488 1 15 . 1 1 90 90 ALA HA H 415 3.831 3.831 3.902 -0.071 17685 7489 1 15 . 1 1 90 90 ALA C C 415 177.963 177.963 179.179 -1.216 17685 7490 1 15 . 1 1 90 90 ALA CA C 415 55.415 55.415 55.207 0.208 17685 7491 1 15 . 1 1 90 90 ALA CB C 415 19.432 19.432 18.344 1.088 17685 7492 1 15 . 1 1 90 90 ALA H H 415 8.805 8.805 8.389 0.416 17685 7493 1 15 . 1 1 91 91 LYS N N 416 117.753 117.753 118.067 -0.314 17685 7494 1 15 . 1 1 91 91 LYS HA H 416 3.972 3.972 4.099 -0.127 17685 7495 1 15 . 1 1 91 91 LYS C C 416 178.198 178.198 179.060 -0.862 17685 7496 1 15 . 1 1 91 91 LYS CA C 416 59.817 59.817 58.828 0.989 17685 7497 1 15 . 1 1 91 91 LYS CB C 416 32.247 32.247 31.977 0.270 17685 7498 1 15 . 1 1 91 91 LYS H H 416 8.085 8.085 7.821 0.264 17685 7499 1 15 . 1 1 92 92 THR N N 417 114.597 114.597 116.955 -2.358 17685 7500 1 15 . 1 1 92 92 THR HA H 417 4.075 4.075 4.151 -0.076 17685 7501 1 15 . 1 1 92 92 THR C C 417 177.541 177.541 176.234 1.307 17685 7502 1 15 . 1 1 92 92 THR CA C 417 66.473 66.473 66.471 0.002 17685 7503 1 15 . 1 1 92 92 THR CB C 417 69.070 69.070 68.505 0.565 17685 7504 1 15 . 1 1 92 92 THR H H 417 7.923 7.923 7.554 0.369 17685 7505 1 15 . 1 1 93 93 ILE N N 418 124.160 124.160 122.915 1.245 17685 7506 1 15 . 1 1 93 93 ILE HA H 418 3.662 3.662 3.777 -0.115 17685 7507 1 15 . 1 1 93 93 ILE C C 418 178.114 178.114 177.875 0.239 17685 7508 1 15 . 1 1 93 93 ILE CA C 418 65.626 65.626 65.989 -0.363 17685 7509 1 15 . 1 1 93 93 ILE CB C 418 38.297 38.297 37.807 0.490 17685 7510 1 15 . 1 1 93 93 ILE H H 418 7.984 7.984 8.250 -0.266 17685 7511 1 15 . 1 1 94 94 VAL N N 419 121.566 121.566 120.440 1.126 17685 7512 1 15 . 1 1 94 94 VAL HA H 419 4.156 4.156 4.035 0.121 17685 7513 1 15 . 1 1 94 94 VAL C C 419 181.424 181.424 178.149 3.275 17685 7514 1 15 . 1 1 94 94 VAL CA C 419 65.808 65.808 65.206 0.602 17685 7515 1 15 . 1 1 94 94 VAL CB C 419 31.892 31.892 32.105 -0.213 17685 7516 1 15 . 1 1 94 94 VAL H H 419 8.551 8.551 8.173 0.378 17685 7517 1 15 . 1 1 95 95 ASP N N 420 123.788 123.788 120.882 2.906 17685 7518 1 15 . 1 1 95 95 ASP HA H 420 4.477 4.477 4.482 -0.005 17685 7519 1 15 . 1 1 95 95 ASP C C 420 178.220 178.220 177.100 1.120 17685 7520 1 15 . 1 1 95 95 ASP CA C 420 57.548 57.548 56.537 1.011 17685 7521 1 15 . 1 1 95 95 ASP CB C 420 39.850 39.850 40.835 -0.985 17685 7522 1 15 . 1 1 95 95 ASP H H 420 9.354 9.354 8.131 1.223 17685 7523 1 15 . 1 1 96 96 SER N N 421 111.960 111.960 112.478 -0.518 17685 7524 1 15 . 1 1 96 96 SER HA H 421 4.526 4.526 4.631 -0.105 17685 7525 1 15 . 1 1 96 96 SER C C 421 175.345 175.345 174.148 1.197 17685 7526 1 15 . 1 1 96 96 SER CA C 421 59.433 59.433 57.938 1.494 17685 7527 1 15 . 1 1 96 96 SER CB C 421 64.264 64.264 64.344 -0.080 17685 7528 1 15 . 1 1 96 96 SER H H 421 7.862 7.862 7.361 0.501 17685 7529 1 15 . 1 1 97 97 GLY N N 422 110.240 110.240 109.685 0.555 17685 7530 1 15 . 1 1 97 97 GLY C C 422 175.158 175.158 175.488 -0.330 17685 7531 1 15 . 1 1 97 97 GLY CA C 422 45.606 45.606 46.408 -0.802 17685 7532 1 15 . 1 1 97 97 GLY H H 422 8.063 8.063 7.842 0.221 17685 7533 1 15 . 1 1 98 98 LYS N N 423 120.213 120.213 118.676 1.537 17685 7534 1 15 . 1 1 98 98 LYS HA H 423 4.083 4.083 4.217 -0.134 17685 7535 1 15 . 1 1 98 98 LYS C C 423 176.681 176.681 176.373 0.308 17685 7536 1 15 . 1 1 98 98 LYS CA C 423 59.417 59.417 57.439 1.978 17685 7537 1 15 . 1 1 98 98 LYS CB C 423 33.453 33.453 33.233 0.220 17685 7538 1 15 . 1 1 98 98 LYS H H 423 7.992 7.992 8.114 -0.122 17685 7539 1 15 . 1 1 99 99 LEU N N 424 114.357 114.357 119.835 -5.478 17685 7540 1 15 . 1 1 99 99 LEU HA H 424 4.848 4.848 4.846 0.002 17685 7541 1 15 . 1 1 99 99 LEU C C 424 174.161 174.161 174.205 -0.044 17685 7542 1 15 . 1 1 99 99 LEU CA C 424 52.225 52.225 51.577 0.648 17685 7543 1 15 . 1 1 99 99 LEU CB C 424 46.075 46.075 44.277 1.798 17685 7544 1 15 . 1 1 99 99 LEU H H 424 6.865 6.865 7.431 -0.566 17685 7545 1 15 . 1 1 100 100 PRO HA H 425 4.650 4.650 4.641 0.009 17685 7546 1 15 . 1 1 100 100 PRO C C 425 177.559 177.559 178.118 -0.559 17685 7547 1 15 . 1 1 100 100 PRO CA C 425 61.643 61.643 62.656 -1.012 17685 7548 1 15 . 1 1 100 100 PRO CB C 425 32.422 32.422 32.273 0.149 17685 7549 1 15 . 1 1 101 101 SER N N 426 117.043 117.043 120.627 -3.584 17685 7550 1 15 . 1 1 101 101 SER HA H 426 3.824 3.824 4.129 -0.305 17685 7551 1 15 . 1 1 101 101 SER C C 426 177.202 177.202 176.223 0.979 17685 7552 1 15 . 1 1 101 101 SER CA C 426 61.708 61.708 61.953 -0.245 17685 7553 1 15 . 1 1 101 101 SER CB C 426 62.706 62.706 62.404 0.302 17685 7554 1 15 . 1 1 101 101 SER H H 426 8.999 8.999 8.821 0.178 17685 7555 1 15 . 1 1 102 102 SER N N 427 114.761 114.761 117.533 -2.772 17685 7556 1 15 . 1 1 102 102 SER HA H 427 4.112 4.112 4.413 -0.301 17685 7557 1 15 . 1 1 102 102 SER C C 427 176.526 176.526 175.848 0.678 17685 7558 1 15 . 1 1 102 102 SER CA C 427 60.650 60.650 60.449 0.201 17685 7559 1 15 . 1 1 102 102 SER CB C 427 62.213 62.213 62.517 -0.304 17685 7560 1 15 . 1 1 102 102 SER H H 427 8.115 8.115 8.493 -0.378 17685 7561 1 15 . 1 1 103 103 LEU N N 428 120.408 120.408 120.254 0.154 17685 7562 1 15 . 1 1 103 103 LEU HA H 428 4.435 4.435 4.428 0.006 17685 7563 1 15 . 1 1 103 103 LEU C C 428 176.698 176.698 176.264 0.434 17685 7564 1 15 . 1 1 103 103 LEU CA C 428 55.847 55.847 55.869 -0.022 17685 7565 1 15 . 1 1 103 103 LEU CB C 428 42.586 42.586 42.206 0.380 17685 7566 1 15 . 1 1 103 103 LEU H H 428 7.320 7.320 8.159 -0.839 17685 7567 1 15 . 1 1 104 104 LEU N N 429 117.860 117.860 115.780 2.080 17685 7568 1 15 . 1 1 104 104 LEU HA H 429 4.995 4.995 4.767 0.228 17685 7569 1 15 . 1 1 104 104 LEU C C 429 178.320 178.320 177.291 1.029 17685 7570 1 15 . 1 1 104 104 LEU CA C 429 52.672 52.672 53.590 -0.918 17685 7571 1 15 . 1 1 104 104 LEU CB C 429 43.039 43.039 41.928 1.111 17685 7572 1 15 . 1 1 104 104 LEU H H 429 7.325 7.325 7.787 -0.462 17685 7573 1 15 . 1 1 105 105 SER N N 430 112.664 112.664 117.672 -5.008 17685 7574 1 15 . 1 1 105 105 SER HA H 430 4.259 4.259 4.508 -0.249 17685 7575 1 15 . 1 1 105 105 SER C C 430 175.288 175.288 176.115 -0.827 17685 7576 1 15 . 1 1 105 105 SER CA C 430 61.247 61.247 60.986 0.261 17685 7577 1 15 . 1 1 105 105 SER CB C 430 64.058 64.058 62.891 1.167 17685 7578 1 15 . 1 1 105 105 SER H H 430 6.990 6.990 8.217 -1.227 17685 7579 1 15 . 1 1 106 106 TYR N N 431 125.624 125.624 118.962 6.662 17685 7580 1 15 . 1 1 106 106 TYR HA H 431 4.060 4.060 4.215 -0.155 17685 7581 1 15 . 1 1 106 106 TYR C C 431 176.064 176.064 174.934 1.130 17685 7582 1 15 . 1 1 106 106 TYR CA C 431 61.449 61.449 60.300 1.149 17685 7583 1 15 . 1 1 106 106 TYR CB C 431 38.282 38.282 38.567 -0.285 17685 7584 1 15 . 1 1 106 106 TYR H H 431 10.433 10.433 7.775 2.658 17685 7585 1 15 . 1 1 107 107 PHE N N 432 113.203 113.203 112.645 0.558 17685 7586 1 15 . 1 1 107 107 PHE HA H 432 4.314 4.314 4.481 -0.167 17685 7587 1 15 . 1 1 107 107 PHE C C 432 173.901 173.901 175.907 -2.006 17685 7588 1 15 . 1 1 107 107 PHE CA C 432 59.810 59.810 59.621 0.189 17685 7589 1 15 . 1 1 107 107 PHE CB C 432 43.249 43.249 40.516 2.733 17685 7590 1 15 . 1 1 107 107 PHE H H 432 7.955 7.955 7.835 0.120 17685 7591 1 16 . 1 1 22 22 SER N N 347 116.741 116.741 118.936 -2.195 17685 7592 1 16 . 1 1 22 22 SER HA H 347 4.355 4.355 4.120 0.235 17685 7593 1 16 . 1 1 22 22 SER C C 347 176.272 176.272 175.952 0.320 17685 7594 1 16 . 1 1 22 22 SER CA C 347 59.651 59.651 60.873 -1.222 17685 7595 1 16 . 1 1 22 22 SER CB C 347 63.231 63.231 63.564 -0.333 17685 7596 1 16 . 1 1 22 22 SER H H 347 8.311 8.311 8.697 -0.386 17685 7597 1 16 . 1 1 23 23 LYS N N 348 124.398 124.398 120.502 3.896 17685 7598 1 16 . 1 1 23 23 LYS HA H 348 4.142 4.142 4.099 0.043 17685 7599 1 16 . 1 1 23 23 LYS C C 348 178.743 178.743 178.471 0.272 17685 7600 1 16 . 1 1 23 23 LYS CA C 348 59.304 59.304 58.918 0.386 17685 7601 1 16 . 1 1 23 23 LYS CB C 348 32.301 32.301 31.741 0.560 17685 7602 1 16 . 1 1 23 23 LYS H H 348 8.611 8.611 8.403 0.208 17685 7603 1 16 . 1 1 24 24 ALA N N 349 122.494 122.494 121.403 1.091 17685 7604 1 16 . 1 1 24 24 ALA HA H 349 4.137 4.137 4.336 -0.199 17685 7605 1 16 . 1 1 24 24 ALA C C 349 179.869 179.869 179.487 0.382 17685 7606 1 16 . 1 1 24 24 ALA CA C 349 54.811 54.811 54.397 0.414 17685 7607 1 16 . 1 1 24 24 ALA CB C 349 18.284 18.284 18.304 -0.020 17685 7608 1 16 . 1 1 24 24 ALA H H 349 8.245 8.245 7.399 0.846 17685 7609 1 16 . 1 1 25 25 ALA N N 350 121.576 121.576 121.261 0.315 17685 7610 1 16 . 1 1 25 25 ALA HA H 350 4.136 4.136 3.980 0.156 17685 7611 1 16 . 1 1 25 25 ALA C C 350 178.743 178.743 179.170 -0.427 17685 7612 1 16 . 1 1 25 25 ALA CA C 350 54.632 54.632 54.899 -0.267 17685 7613 1 16 . 1 1 25 25 ALA CB C 350 18.299 18.299 18.118 0.181 17685 7614 1 16 . 1 1 25 25 ALA H H 350 8.014 8.014 8.547 -0.533 17685 7615 1 16 . 1 1 26 26 LYS N N 351 119.618 119.618 118.996 0.622 17685 7616 1 16 . 1 1 26 26 LYS HA H 351 4.196 4.196 3.897 0.299 17685 7617 1 16 . 1 1 26 26 LYS C C 351 178.485 178.485 178.104 0.381 17685 7618 1 16 . 1 1 26 26 LYS CA C 351 60.014 60.014 59.958 0.056 17685 7619 1 16 . 1 1 26 26 LYS CB C 351 32.511 32.511 32.089 0.422 17685 7620 1 16 . 1 1 26 26 LYS H H 351 7.831 7.831 8.279 -0.448 17685 7621 1 16 . 1 1 27 27 LYS N N 352 118.080 118.080 118.633 -0.553 17685 7622 1 16 . 1 1 27 27 LYS HA H 352 3.958 3.958 3.978 -0.020 17685 7623 1 16 . 1 1 27 27 LYS C C 352 179.564 179.564 178.989 0.575 17685 7624 1 16 . 1 1 27 27 LYS CA C 352 60.092 60.092 59.510 0.583 17685 7625 1 16 . 1 1 27 27 LYS CB C 352 32.550 32.550 32.261 0.289 17685 7626 1 16 . 1 1 27 27 LYS H H 352 7.905 7.905 7.718 0.187 17685 7627 1 16 . 1 1 28 28 LYS N N 353 119.878 119.878 118.478 1.400 17685 7628 1 16 . 1 1 28 28 LYS HA H 353 4.023 4.023 4.070 -0.047 17685 7629 1 16 . 1 1 28 28 LYS C C 353 179.270 179.270 179.135 0.135 17685 7630 1 16 . 1 1 28 28 LYS CA C 353 59.806 59.806 59.209 0.597 17685 7631 1 16 . 1 1 28 28 LYS CB C 353 32.324 32.324 32.374 -0.050 17685 7632 1 16 . 1 1 28 28 LYS H H 353 7.934 7.934 7.444 0.490 17685 7633 1 16 . 1 1 29 29 ASN N N 354 119.780 119.780 118.661 1.119 17685 7634 1 16 . 1 1 29 29 ASN HA H 354 4.557 4.557 4.486 0.071 17685 7635 1 16 . 1 1 29 29 ASN C C 354 177.395 177.395 177.566 -0.171 17685 7636 1 16 . 1 1 29 29 ASN CA C 354 56.167 56.167 55.572 0.595 17685 7637 1 16 . 1 1 29 29 ASN CB C 354 37.928 37.928 38.121 -0.193 17685 7638 1 16 . 1 1 29 29 ASN H H 354 8.524 8.524 8.491 0.033 17685 7639 1 16 . 1 1 30 30 LYS N N 355 118.850 118.850 119.485 -0.635 17685 7640 1 16 . 1 1 30 30 LYS HA H 355 3.820 3.820 3.848 -0.028 17685 7641 1 16 . 1 1 30 30 LYS C C 355 178.266 178.266 178.741 -0.475 17685 7642 1 16 . 1 1 30 30 LYS CA C 355 61.698 61.698 60.350 1.348 17685 7643 1 16 . 1 1 30 30 LYS CB C 355 33.000 33.000 32.269 0.731 17685 7644 1 16 . 1 1 30 30 LYS H H 355 8.599 8.599 8.661 -0.062 17685 7645 1 16 . 1 1 31 31 ARG N N 356 118.226 118.226 119.001 -0.775 17685 7646 1 16 . 1 1 31 31 ARG HA H 356 3.940 3.940 4.090 -0.150 17685 7647 1 16 . 1 1 31 31 ARG C C 356 177.676 177.676 177.887 -0.211 17685 7648 1 16 . 1 1 31 31 ARG CA C 356 59.316 59.316 58.880 0.436 17685 7649 1 16 . 1 1 31 31 ARG CB C 356 30.266 30.266 30.024 0.242 17685 7650 1 16 . 1 1 31 31 ARG H H 356 7.809 7.809 7.581 0.228 17685 7651 1 16 . 1 1 32 32 ALA N N 357 120.780 120.780 123.034 -2.254 17685 7652 1 16 . 1 1 32 32 ALA HA H 357 4.104 4.104 4.083 0.021 17685 7653 1 16 . 1 1 32 32 ALA C C 357 181.157 181.157 179.904 1.253 17685 7654 1 16 . 1 1 32 32 ALA CA C 357 55.118 55.118 54.996 0.122 17685 7655 1 16 . 1 1 32 32 ALA CB C 357 18.064 18.064 18.192 -0.128 17685 7656 1 16 . 1 1 32 32 ALA H H 357 8.155 8.155 7.821 0.334 17685 7657 1 16 . 1 1 33 33 ILE N N 358 116.468 116.468 117.479 -1.011 17685 7658 1 16 . 1 1 33 33 ILE HA H 358 3.590 3.590 3.719 -0.129 17685 7659 1 16 . 1 1 33 33 ILE C C 358 179.458 179.458 177.993 1.465 17685 7660 1 16 . 1 1 33 33 ILE CA C 358 65.775 65.775 62.993 2.782 17685 7661 1 16 . 1 1 33 33 ILE CB C 358 38.592 38.592 36.553 2.039 17685 7662 1 16 . 1 1 33 33 ILE H H 358 7.929 7.929 8.247 -0.318 17685 7663 1 16 . 1 1 34 34 ARG N N 359 119.937 119.937 120.234 -0.297 17685 7664 1 16 . 1 1 34 34 ARG HA H 359 3.998 3.998 3.986 0.012 17685 7665 1 16 . 1 1 34 34 ARG C C 359 179.124 179.124 179.118 0.006 17685 7666 1 16 . 1 1 34 34 ARG CA C 359 60.029 60.029 60.004 0.025 17685 7667 1 16 . 1 1 34 34 ARG CB C 359 30.576 30.576 29.766 0.810 17685 7668 1 16 . 1 1 34 34 ARG H H 359 8.672 8.672 7.555 1.117 17685 7669 1 16 . 1 1 35 35 ASN N N 360 116.359 116.359 117.910 -1.551 17685 7670 1 16 . 1 1 35 35 ASN HA H 360 4.575 4.575 4.490 0.084 17685 7671 1 16 . 1 1 35 35 ASN C C 360 175.723 175.723 176.795 -1.072 17685 7672 1 16 . 1 1 35 35 ASN CA C 360 54.215 54.215 55.433 -1.218 17685 7673 1 16 . 1 1 35 35 ASN CB C 360 38.575 38.575 37.716 0.859 17685 7674 1 16 . 1 1 35 35 ASN H H 360 8.454 8.454 8.330 0.124 17685 7675 1 16 . 1 1 36 36 SER N N 361 115.734 115.734 116.288 -0.554 17685 7676 1 16 . 1 1 36 36 SER HA H 361 3.995 3.995 4.223 -0.228 17685 7677 1 16 . 1 1 36 36 SER C C 361 176.129 176.129 176.060 0.069 17685 7678 1 16 . 1 1 36 36 SER CA C 361 62.349 62.349 61.928 0.421 17685 7679 1 16 . 1 1 36 36 SER CB C 361 63.664 63.664 62.935 0.729 17685 7680 1 16 . 1 1 36 36 SER H H 361 7.617 7.617 7.758 -0.141 17685 7681 1 16 . 1 1 37 37 ALA N N 362 124.421 124.421 123.857 0.564 17685 7682 1 16 . 1 1 37 37 ALA HA H 362 3.770 3.770 3.864 -0.094 17685 7683 1 16 . 1 1 37 37 ALA C C 362 178.482 178.482 177.769 0.713 17685 7684 1 16 . 1 1 37 37 ALA CA C 362 54.821 54.821 54.219 0.602 17685 7685 1 16 . 1 1 37 37 ALA CB C 362 18.347 18.347 18.159 0.188 17685 7686 1 16 . 1 1 37 37 ALA H H 362 6.868 6.868 7.638 -0.770 17685 7687 1 16 . 1 1 38 38 LYS N N 363 122.319 122.319 116.681 5.638 17685 7688 1 16 . 1 1 38 38 LYS HA H 363 2.913 2.913 4.133 -1.220 17685 7689 1 16 . 1 1 38 38 LYS C C 363 180.669 180.669 179.477 1.192 17685 7690 1 16 . 1 1 38 38 LYS CA C 363 59.567 59.567 58.458 1.109 17685 7691 1 16 . 1 1 38 38 LYS CB C 363 31.563 31.563 32.070 -0.507 17685 7692 1 16 . 1 1 38 38 LYS H H 363 8.317 8.317 7.199 1.118 17685 7693 1 16 . 1 1 39 39 GLU N N 364 118.666 118.666 117.945 0.721 17685 7694 1 16 . 1 1 39 39 GLU HA H 364 4.015 4.015 4.239 -0.224 17685 7695 1 16 . 1 1 39 39 GLU C C 364 176.609 176.609 178.295 -1.686 17685 7696 1 16 . 1 1 39 39 GLU CA C 364 58.674 58.674 58.083 0.591 17685 7697 1 16 . 1 1 39 39 GLU CB C 364 29.058 29.058 29.689 -0.631 17685 7698 1 16 . 1 1 39 39 GLU H H 364 7.935 7.935 8.120 -0.185 17685 7699 1 16 . 1 1 40 40 ALA N N 365 121.145 121.145 120.202 0.943 17685 7700 1 16 . 1 1 40 40 ALA HA H 365 4.663 4.663 4.489 0.174 17685 7701 1 16 . 1 1 40 40 ALA C C 365 177.688 177.688 175.798 1.890 17685 7702 1 16 . 1 1 40 40 ALA CA C 365 50.931 50.931 51.059 -0.128 17685 7703 1 16 . 1 1 40 40 ALA CB C 365 18.566 18.566 19.762 -1.196 17685 7704 1 16 . 1 1 40 40 ALA H H 365 7.049 7.049 7.911 -0.862 17685 7705 1 16 . 1 1 41 41 ASP N N 366 121.103 121.103 115.771 5.332 17685 7706 1 16 . 1 1 41 41 ASP HA H 366 4.338 4.338 4.221 0.117 17685 7707 1 16 . 1 1 41 41 ASP C C 366 175.644 175.644 174.978 0.666 17685 7708 1 16 . 1 1 41 41 ASP CA C 366 55.898 55.898 54.374 1.524 17685 7709 1 16 . 1 1 41 41 ASP CB C 366 39.353 39.353 40.983 -1.630 17685 7710 1 16 . 1 1 41 41 ASP H H 366 8.099 8.099 7.045 1.054 17685 7711 1 16 . 1 1 42 42 TYR N N 367 110.700 110.700 120.220 -9.520 17685 7712 1 16 . 1 1 42 42 TYR HA H 367 2.485 2.485 4.052 -1.567 17685 7713 1 16 . 1 1 42 42 TYR C C 367 174.307 174.307 176.012 -1.705 17685 7714 1 16 . 1 1 42 42 TYR CA C 367 61.064 61.064 58.203 2.861 17685 7715 1 16 . 1 1 42 42 TYR CB C 367 34.242 34.242 38.101 -3.859 17685 7716 1 16 . 1 1 42 42 TYR H H 367 8.364 8.364 8.820 -0.456 17685 7717 1 16 . 1 1 43 43 PHE N N 368 111.305 111.305 116.294 -4.989 17685 7718 1 16 . 1 1 43 43 PHE HA H 368 4.666 4.666 4.209 0.457 17685 7719 1 16 . 1 1 43 43 PHE C C 368 177.162 177.162 176.114 1.048 17685 7720 1 16 . 1 1 43 43 PHE CA C 368 56.561 56.561 58.948 -2.387 17685 7721 1 16 . 1 1 43 43 PHE CB C 368 36.514 36.514 35.807 0.707 17685 7722 1 16 . 1 1 43 43 PHE H H 368 7.666 7.666 7.916 -0.250 17685 7723 1 16 . 1 1 44 44 GLY N N 369 106.300 106.300 105.422 0.878 17685 7724 1 16 . 1 1 44 44 GLY C C 369 174.446 174.446 174.641 -0.195 17685 7725 1 16 . 1 1 44 44 GLY CA C 369 45.780 45.780 45.040 0.740 17685 7726 1 16 . 1 1 44 44 GLY H H 369 7.671 7.671 8.294 -0.623 17685 7727 1 16 . 1 1 45 45 ASP N N 370 122.876 122.876 121.375 1.501 17685 7728 1 16 . 1 1 45 45 ASP HA H 370 5.323 5.323 4.830 0.493 17685 7729 1 16 . 1 1 45 45 ASP C C 370 176.360 176.360 176.435 -0.075 17685 7730 1 16 . 1 1 45 45 ASP CA C 370 53.322 53.322 53.915 -0.593 17685 7731 1 16 . 1 1 45 45 ASP CB C 370 41.391 41.391 41.060 0.331 17685 7732 1 16 . 1 1 45 45 ASP H H 370 8.331 8.331 8.118 0.213 17685 7733 1 16 . 1 1 46 46 ALA N N 371 121.771 121.771 123.423 -1.652 17685 7734 1 16 . 1 1 46 46 ALA HA H 371 3.600 3.600 3.683 -0.083 17685 7735 1 16 . 1 1 46 46 ALA C C 371 179.111 179.111 178.354 0.757 17685 7736 1 16 . 1 1 46 46 ALA CA C 371 56.038 56.038 54.700 1.338 17685 7737 1 16 . 1 1 46 46 ALA CB C 371 17.942 17.942 18.492 -0.550 17685 7738 1 16 . 1 1 46 46 ALA H H 371 8.282 8.282 8.424 -0.142 17685 7739 1 16 . 1 1 47 47 ASP N N 372 116.273 116.273 115.793 0.480 17685 7740 1 16 . 1 1 47 47 ASP HA H 372 4.359 4.359 4.482 -0.123 17685 7741 1 16 . 1 1 47 47 ASP C C 372 177.019 177.019 176.749 0.270 17685 7742 1 16 . 1 1 47 47 ASP CA C 372 55.832 55.832 55.616 0.216 17685 7743 1 16 . 1 1 47 47 ASP CB C 372 39.190 39.190 40.756 -1.566 17685 7744 1 16 . 1 1 47 47 ASP H H 372 9.068 9.068 8.738 0.330 17685 7745 1 16 . 1 1 48 48 LYS N N 373 120.180 120.180 116.827 3.353 17685 7746 1 16 . 1 1 48 48 LYS HA H 373 4.723 4.723 4.639 0.084 17685 7747 1 16 . 1 1 48 48 LYS C C 373 175.542 175.542 176.208 -0.666 17685 7748 1 16 . 1 1 48 48 LYS CA C 373 54.787 54.787 55.251 -0.464 17685 7749 1 16 . 1 1 48 48 LYS CB C 373 32.179 32.179 31.813 0.366 17685 7750 1 16 . 1 1 48 48 LYS H H 373 8.050 8.050 7.765 0.285 17685 7751 1 16 . 1 1 49 49 ALA N N 374 122.498 122.498 123.830 -1.332 17685 7752 1 16 . 1 1 49 49 ALA HA H 374 3.068 3.068 4.053 -0.985 17685 7753 1 16 . 1 1 49 49 ALA C C 374 177.781 177.781 179.191 -1.410 17685 7754 1 16 . 1 1 49 49 ALA CA C 374 56.962 56.962 56.079 0.883 17685 7755 1 16 . 1 1 49 49 ALA CB C 374 17.855 17.855 18.127 -0.272 17685 7756 1 16 . 1 1 49 49 ALA H H 374 7.045 7.045 7.332 -0.287 17685 7757 1 16 . 1 1 50 50 THR N N 375 108.573 108.573 112.657 -4.084 17685 7758 1 16 . 1 1 50 50 THR HA H 375 4.044 4.044 3.999 0.045 17685 7759 1 16 . 1 1 50 50 THR C C 375 177.647 177.647 176.510 1.137 17685 7760 1 16 . 1 1 50 50 THR CA C 375 66.201 66.201 67.726 -1.525 17685 7761 1 16 . 1 1 50 50 THR CB C 375 68.334 68.334 68.044 0.290 17685 7762 1 16 . 1 1 50 50 THR H H 375 8.285 8.285 8.367 -0.082 17685 7763 1 16 . 1 1 51 51 THR N N 376 120.018 120.018 119.659 0.359 17685 7764 1 16 . 1 1 51 51 THR HA H 376 4.147 4.147 4.348 -0.201 17685 7765 1 16 . 1 1 51 51 THR C C 376 175.499 175.499 176.661 -1.162 17685 7766 1 16 . 1 1 51 51 THR CA C 376 66.145 66.145 66.596 -0.451 17685 7767 1 16 . 1 1 51 51 THR CB C 376 69.382 69.382 68.453 0.930 17685 7768 1 16 . 1 1 51 51 THR H H 376 7.359 7.359 7.376 -0.017 17685 7769 1 16 . 1 1 52 52 ILE N N 377 122.319 122.319 122.692 -0.373 17685 7770 1 16 . 1 1 52 52 ILE HA H 377 3.168 3.168 3.595 -0.427 17685 7771 1 16 . 1 1 52 52 ILE C C 377 177.879 177.879 177.535 0.344 17685 7772 1 16 . 1 1 52 52 ILE CA C 377 67.070 67.070 65.885 1.185 17685 7773 1 16 . 1 1 52 52 ILE CB C 377 38.257 38.257 37.720 0.537 17685 7774 1 16 . 1 1 52 52 ILE H H 377 8.346 8.346 8.326 0.020 17685 7775 1 16 . 1 1 53 53 ASP N N 378 117.696 117.696 120.225 -2.529 17685 7776 1 16 . 1 1 53 53 ASP HA H 378 4.739 4.739 4.366 0.373 17685 7777 1 16 . 1 1 53 53 ASP C C 378 180.094 180.094 178.955 1.139 17685 7778 1 16 . 1 1 53 53 ASP CA C 378 58.044 58.044 58.447 -0.403 17685 7779 1 16 . 1 1 53 53 ASP CB C 378 39.648 39.648 40.468 -0.820 17685 7780 1 16 . 1 1 53 53 ASP H H 378 8.991 8.991 8.581 0.410 17685 7781 1 16 . 1 1 54 54 GLU N N 379 121.956 121.956 119.807 2.149 17685 7782 1 16 . 1 1 54 54 GLU HA H 379 4.174 4.174 3.947 0.227 17685 7783 1 16 . 1 1 54 54 GLU C C 379 179.679 179.679 179.190 0.489 17685 7784 1 16 . 1 1 54 54 GLU CA C 379 59.572 59.572 59.545 0.027 17685 7785 1 16 . 1 1 54 54 GLU CB C 379 29.324 29.324 29.605 -0.281 17685 7786 1 16 . 1 1 54 54 GLU H H 379 7.946 7.946 8.083 -0.137 17685 7787 1 16 . 1 1 55 55 GLN N N 380 120.733 120.733 119.095 1.638 17685 7788 1 16 . 1 1 55 55 GLN HA H 380 4.171 4.171 4.112 0.059 17685 7789 1 16 . 1 1 55 55 GLN C C 380 178.288 178.288 178.843 -0.555 17685 7790 1 16 . 1 1 55 55 GLN CA C 380 59.994 59.994 58.988 1.006 17685 7791 1 16 . 1 1 55 55 GLN CB C 380 29.566 29.566 29.224 0.342 17685 7792 1 16 . 1 1 55 55 GLN H H 380 8.357 8.357 7.758 0.599 17685 7793 1 16 . 1 1 56 56 VAL N N 381 120.353 120.353 119.485 0.868 17685 7794 1 16 . 1 1 56 56 VAL HA H 381 3.536 3.536 3.587 -0.051 17685 7795 1 16 . 1 1 56 56 VAL C C 381 178.220 178.220 178.254 -0.034 17685 7796 1 16 . 1 1 56 56 VAL CA C 381 67.557 67.557 66.625 0.932 17685 7797 1 16 . 1 1 56 56 VAL CB C 381 31.349 31.349 30.817 0.532 17685 7798 1 16 . 1 1 56 56 VAL H H 381 9.484 9.484 8.487 0.997 17685 7799 1 16 . 1 1 57 57 GLY N N 382 106.926 106.926 107.272 -0.346 17685 7800 1 16 . 1 1 57 57 GLY C C 382 174.843 174.843 176.435 -1.592 17685 7801 1 16 . 1 1 57 57 GLY CA C 382 47.694 47.694 47.106 0.588 17685 7802 1 16 . 1 1 57 57 GLY H H 382 8.169 8.169 7.920 0.249 17685 7803 1 16 . 1 1 58 58 LEU N N 383 120.610 120.610 122.637 -2.027 17685 7804 1 16 . 1 1 58 58 LEU HA H 383 4.151 4.151 4.040 0.111 17685 7805 1 16 . 1 1 58 58 LEU C C 383 180.087 180.087 178.909 1.178 17685 7806 1 16 . 1 1 58 58 LEU CA C 383 57.974 57.974 57.483 0.491 17685 7807 1 16 . 1 1 58 58 LEU CB C 383 42.125 42.125 41.809 0.316 17685 7808 1 16 . 1 1 58 58 LEU H H 383 7.568 7.568 7.640 -0.072 17685 7809 1 16 . 1 1 59 59 ILE N N 384 120.213 120.213 119.997 0.216 17685 7810 1 16 . 1 1 59 59 ILE HA H 384 3.416 3.416 3.546 -0.130 17685 7811 1 16 . 1 1 59 59 ILE C C 384 178.310 178.310 177.977 0.333 17685 7812 1 16 . 1 1 59 59 ILE CA C 384 66.069 66.069 65.732 0.337 17685 7813 1 16 . 1 1 59 59 ILE CB C 384 38.233 38.233 37.732 0.501 17685 7814 1 16 . 1 1 59 59 ILE H H 384 8.057 8.057 8.312 -0.255 17685 7815 1 16 . 1 1 60 60 VAL N N 385 115.546 115.546 114.241 1.305 17685 7816 1 16 . 1 1 60 60 VAL HA H 385 3.560 3.560 3.635 -0.075 17685 7817 1 16 . 1 1 60 60 VAL C C 385 177.921 177.921 176.737 1.184 17685 7818 1 16 . 1 1 60 60 VAL CA C 385 66.702 66.702 65.437 1.265 17685 7819 1 16 . 1 1 60 60 VAL CB C 385 31.565 31.565 31.624 -0.059 17685 7820 1 16 . 1 1 60 60 VAL H H 385 8.672 8.672 8.083 0.589 17685 7821 1 16 . 1 1 61 61 ASP N N 386 117.831 117.831 118.440 -0.609 17685 7822 1 16 . 1 1 61 61 ASP HA H 386 4.571 4.571 4.550 0.021 17685 7823 1 16 . 1 1 61 61 ASP C C 386 177.238 177.238 177.503 -0.265 17685 7824 1 16 . 1 1 61 61 ASP CA C 386 56.184 56.184 56.087 0.096 17685 7825 1 16 . 1 1 61 61 ASP CB C 386 40.632 40.632 41.718 -1.086 17685 7826 1 16 . 1 1 61 61 ASP H H 386 7.988 7.988 7.752 0.236 17685 7827 1 16 . 1 1 62 62 SER N N 387 114.761 114.761 114.633 0.128 17685 7828 1 16 . 1 1 62 62 SER HA H 387 4.577 4.577 4.475 0.102 17685 7829 1 16 . 1 1 62 62 SER C C 387 173.645 173.645 174.168 -0.523 17685 7830 1 16 . 1 1 62 62 SER CA C 387 59.694 59.694 60.537 -0.843 17685 7831 1 16 . 1 1 62 62 SER CB C 387 64.588 64.588 63.800 0.788 17685 7832 1 16 . 1 1 62 62 SER H H 387 7.755 7.755 7.635 0.120 17685 7833 1 16 . 1 1 63 63 LEU N N 388 121.610 121.610 120.236 1.374 17685 7834 1 16 . 1 1 63 63 LEU HA H 388 4.506 4.506 4.308 0.198 17685 7835 1 16 . 1 1 63 63 LEU C C 388 177.071 177.071 174.837 2.234 17685 7836 1 16 . 1 1 63 63 LEU CA C 388 54.490 54.490 54.443 0.047 17685 7837 1 16 . 1 1 63 63 LEU CB C 388 42.414 42.414 43.131 -0.717 17685 7838 1 16 . 1 1 63 63 LEU H H 388 7.083 7.083 7.278 -0.195 17685 7839 1 16 . 1 1 64 64 ASN N N 389 122.154 122.154 116.507 5.647 17685 7840 1 16 . 1 1 64 64 ASN HA H 389 4.748 4.748 4.708 0.040 17685 7841 1 16 . 1 1 64 64 ASN C C 389 175.144 175.144 175.599 -0.455 17685 7842 1 16 . 1 1 64 64 ASN CA C 389 51.898 51.898 52.013 -0.115 17685 7843 1 16 . 1 1 64 64 ASN CB C 389 37.762 37.762 40.230 -2.468 17685 7844 1 16 . 1 1 64 64 ASN H H 389 9.587 9.587 8.075 1.512 17685 7845 1 16 . 1 1 65 65 ASP N N 390 116.882 116.882 118.675 -1.793 17685 7846 1 16 . 1 1 65 65 ASP HA H 390 4.288 4.288 4.258 0.030 17685 7847 1 16 . 1 1 65 65 ASP C C 390 178.601 178.601 177.867 0.734 17685 7848 1 16 . 1 1 65 65 ASP CA C 390 58.992 58.992 57.505 1.487 17685 7849 1 16 . 1 1 65 65 ASP CB C 390 40.168 40.168 40.437 -0.269 17685 7850 1 16 . 1 1 65 65 ASP H H 390 8.504 8.504 8.838 -0.334 17685 7851 1 16 . 1 1 66 66 GLU N N 391 119.807 119.807 118.597 1.210 17685 7852 1 16 . 1 1 66 66 GLU HA H 391 4.048 4.048 4.032 0.016 17685 7853 1 16 . 1 1 66 66 GLU C C 391 179.549 179.549 178.695 0.854 17685 7854 1 16 . 1 1 66 66 GLU CA C 391 59.943 59.943 59.013 0.930 17685 7855 1 16 . 1 1 66 66 GLU CB C 391 29.119 29.119 29.388 -0.269 17685 7856 1 16 . 1 1 66 66 GLU H H 391 8.318 8.318 8.499 -0.181 17685 7857 1 16 . 1 1 67 67 GLU N N 392 121.747 121.747 120.474 1.273 17685 7858 1 16 . 1 1 67 67 GLU HA H 392 4.151 4.151 4.138 0.013 17685 7859 1 16 . 1 1 67 67 GLU C C 392 180.544 180.544 179.020 1.524 17685 7860 1 16 . 1 1 67 67 GLU CA C 392 58.307 58.307 58.789 -0.483 17685 7861 1 16 . 1 1 67 67 GLU CB C 392 30.933 30.933 29.172 1.761 17685 7862 1 16 . 1 1 67 67 GLU H H 392 8.709 8.709 7.922 0.787 17685 7863 1 16 . 1 1 68 68 LEU N N 393 123.523 123.523 120.267 3.256 17685 7864 1 16 . 1 1 68 68 LEU HA H 393 3.923 3.923 4.133 -0.210 17685 7865 1 16 . 1 1 68 68 LEU C C 393 178.151 178.151 179.668 -1.517 17685 7866 1 16 . 1 1 68 68 LEU CA C 393 58.642 58.642 57.764 0.877 17685 7867 1 16 . 1 1 68 68 LEU CB C 393 42.304 42.304 41.645 0.659 17685 7868 1 16 . 1 1 68 68 LEU H H 393 8.930 8.930 7.847 1.083 17685 7869 1 16 . 1 1 69 69 VAL N N 394 118.071 118.071 119.439 -1.368 17685 7870 1 16 . 1 1 69 69 VAL HA H 394 3.527 3.527 3.562 -0.035 17685 7871 1 16 . 1 1 69 69 VAL C C 394 177.701 177.701 178.090 -0.389 17685 7872 1 16 . 1 1 69 69 VAL CA C 394 66.494 66.494 66.705 -0.211 17685 7873 1 16 . 1 1 69 69 VAL CB C 394 32.103 32.103 31.383 0.720 17685 7874 1 16 . 1 1 69 69 VAL H H 394 7.304 7.304 7.747 -0.443 17685 7875 1 16 . 1 1 70 70 SER N N 395 112.686 112.686 116.077 -3.391 17685 7876 1 16 . 1 1 70 70 SER HA H 395 4.238 4.238 4.194 0.044 17685 7877 1 16 . 1 1 70 70 SER C C 395 177.618 177.618 176.609 1.009 17685 7878 1 16 . 1 1 70 70 SER CA C 395 61.410 61.410 62.518 -1.108 17685 7879 1 16 . 1 1 70 70 SER CB C 395 63.002 63.002 62.970 0.032 17685 7880 1 16 . 1 1 70 70 SER H H 395 7.906 7.906 8.188 -0.282 17685 7881 1 16 . 1 1 71 71 THR N N 396 118.003 118.003 115.419 2.584 17685 7882 1 16 . 1 1 71 71 THR HA H 396 3.767 3.767 3.968 -0.201 17685 7883 1 16 . 1 1 71 71 THR C C 396 175.404 175.404 176.344 -0.940 17685 7884 1 16 . 1 1 71 71 THR CA C 396 67.763 67.763 65.928 1.835 17685 7885 1 16 . 1 1 71 71 THR CB C 396 68.498 68.498 68.657 -0.159 17685 7886 1 16 . 1 1 71 71 THR H H 396 8.511 8.511 8.392 0.119 17685 7887 1 16 . 1 1 72 72 ALA N N 397 123.373 123.373 124.070 -0.697 17685 7888 1 16 . 1 1 72 72 ALA HA H 397 3.857 3.857 3.962 -0.105 17685 7889 1 16 . 1 1 72 72 ALA C C 397 180.173 180.173 179.056 1.117 17685 7890 1 16 . 1 1 72 72 ALA CA C 397 56.079 56.079 54.931 1.148 17685 7891 1 16 . 1 1 72 72 ALA CB C 397 17.767 17.767 18.205 -0.438 17685 7892 1 16 . 1 1 72 72 ALA H H 397 8.268 8.268 7.819 0.449 17685 7893 1 16 . 1 1 73 73 ASP N N 398 118.963 118.963 118.342 0.621 17685 7894 1 16 . 1 1 73 73 ASP HA H 398 4.382 4.382 4.345 0.037 17685 7895 1 16 . 1 1 73 73 ASP C C 398 179.471 179.471 178.556 0.915 17685 7896 1 16 . 1 1 73 73 ASP CA C 398 57.692 57.692 57.458 0.234 17685 7897 1 16 . 1 1 73 73 ASP CB C 398 40.015 40.015 40.959 -0.944 17685 7898 1 16 . 1 1 73 73 ASP H H 398 8.585 8.585 8.125 0.460 17685 7899 1 16 . 1 1 74 74 LYS N N 399 120.591 120.591 119.043 1.548 17685 7900 1 16 . 1 1 74 74 LYS HA H 399 4.050 4.050 4.107 -0.057 17685 7901 1 16 . 1 1 74 74 LYS C C 399 180.082 180.082 179.153 0.929 17685 7902 1 16 . 1 1 74 74 LYS CA C 399 60.001 60.001 58.617 1.384 17685 7903 1 16 . 1 1 74 74 LYS CB C 399 34.080 34.080 32.274 1.806 17685 7904 1 16 . 1 1 74 74 LYS H H 399 8.003 8.003 7.578 0.425 17685 7905 1 16 . 1 1 75 75 ILE N N 400 120.602 120.602 119.951 0.651 17685 7906 1 16 . 1 1 75 75 ILE HA H 400 3.687 3.687 3.979 -0.292 17685 7907 1 16 . 1 1 75 75 ILE C C 400 177.770 177.770 178.541 -0.771 17685 7908 1 16 . 1 1 75 75 ILE CA C 400 64.860 64.860 64.890 -0.030 17685 7909 1 16 . 1 1 75 75 ILE CB C 400 38.253 38.253 37.698 0.555 17685 7910 1 16 . 1 1 75 75 ILE H H 400 7.877 7.877 8.455 -0.578 17685 7911 1 16 . 1 1 76 76 LYS N N 401 120.036 120.036 119.857 0.179 17685 7912 1 16 . 1 1 76 76 LYS HA H 401 4.032 4.032 3.996 0.036 17685 7913 1 16 . 1 1 76 76 LYS C C 401 178.423 178.423 177.647 0.776 17685 7914 1 16 . 1 1 76 76 LYS CA C 401 58.735 58.735 59.329 -0.594 17685 7915 1 16 . 1 1 76 76 LYS CB C 401 32.325 32.325 32.511 -0.186 17685 7916 1 16 . 1 1 76 76 LYS H H 401 8.260 8.260 8.292 -0.032 17685 7917 1 16 . 1 1 77 77 ALA N N 402 118.655 118.655 118.966 -0.311 17685 7918 1 16 . 1 1 77 77 ALA HA H 402 4.205 4.205 4.401 -0.196 17685 7919 1 16 . 1 1 77 77 ALA C C 402 177.949 177.949 177.921 0.028 17685 7920 1 16 . 1 1 77 77 ALA CA C 402 53.673 53.673 52.840 0.833 17685 7921 1 16 . 1 1 77 77 ALA CB C 402 19.018 19.018 20.000 -0.982 17685 7922 1 16 . 1 1 77 77 ALA H H 402 7.564 7.564 7.469 0.095 17685 7923 1 16 . 1 1 78 78 ASN N N 403 113.964 113.964 117.574 -3.610 17685 7924 1 16 . 1 1 78 78 ASN HA H 403 4.841 4.841 4.871 -0.030 17685 7925 1 16 . 1 1 78 78 ASN C C 403 174.866 174.866 174.825 0.041 17685 7926 1 16 . 1 1 78 78 ASN CA C 403 52.485 52.485 51.498 0.987 17685 7927 1 16 . 1 1 78 78 ASN CB C 403 37.659 37.659 38.475 -0.816 17685 7928 1 16 . 1 1 78 78 ASN H H 403 7.397 7.397 8.217 -0.820 17685 7929 1 16 . 1 1 79 79 ALA N N 404 131.057 131.057 126.988 4.069 17685 7930 1 16 . 1 1 79 79 ALA HA H 404 4.160 4.160 4.314 -0.154 17685 7931 1 16 . 1 1 79 79 ALA C C 404 180.575 180.575 178.764 1.811 17685 7932 1 16 . 1 1 79 79 ALA CA C 404 56.271 56.271 54.804 1.467 17685 7933 1 16 . 1 1 79 79 ALA CB C 404 18.357 18.357 18.806 -0.449 17685 7934 1 16 . 1 1 79 79 ALA H H 404 9.143 9.143 8.515 0.628 17685 7935 1 16 . 1 1 80 80 ALA N N 405 117.862 117.862 119.585 -1.723 17685 7936 1 16 . 1 1 80 80 ALA HA H 405 4.362 4.362 4.187 0.175 17685 7937 1 16 . 1 1 80 80 ALA C C 405 179.218 179.218 178.081 1.137 17685 7938 1 16 . 1 1 80 80 ALA CA C 405 53.931 53.931 53.592 0.339 17685 7939 1 16 . 1 1 80 80 ALA CB C 405 18.226 18.226 18.607 -0.381 17685 7940 1 16 . 1 1 80 80 ALA H H 405 8.315 8.315 8.522 -0.207 17685 7941 1 16 . 1 1 81 81 GLY N N 406 106.895 106.895 104.926 1.969 17685 7942 1 16 . 1 1 81 81 GLY C C 406 175.175 175.175 174.474 0.701 17685 7943 1 16 . 1 1 81 81 GLY CA C 406 45.363 45.363 43.941 1.422 17685 7944 1 16 . 1 1 81 81 GLY H H 406 7.908 7.908 7.391 0.517 17685 7945 1 16 . 1 1 82 82 ALA N N 407 120.775 120.775 124.673 -3.898 17685 7946 1 16 . 1 1 82 82 ALA HA H 407 3.971 3.971 4.027 -0.056 17685 7947 1 16 . 1 1 82 82 ALA C C 407 177.879 177.879 178.568 -0.689 17685 7948 1 16 . 1 1 82 82 ALA CA C 407 56.076 56.076 55.674 0.402 17685 7949 1 16 . 1 1 82 82 ALA CB C 407 19.120 19.120 18.946 0.174 17685 7950 1 16 . 1 1 82 82 ALA H H 407 7.574 7.574 7.715 -0.141 17685 7951 1 16 . 1 1 83 83 LYS N N 408 117.628 117.628 118.316 -0.688 17685 7952 1 16 . 1 1 83 83 LYS HA H 408 3.352 3.352 3.915 -0.563 17685 7953 1 16 . 1 1 83 83 LYS C C 408 178.064 178.064 177.960 0.104 17685 7954 1 16 . 1 1 83 83 LYS CA C 408 61.404 61.404 59.767 1.637 17685 7955 1 16 . 1 1 83 83 LYS CB C 408 31.311 31.311 31.671 -0.360 17685 7956 1 16 . 1 1 83 83 LYS H H 408 8.755 8.755 8.463 0.292 17685 7957 1 16 . 1 1 84 84 GLU N N 409 116.005 116.005 118.484 -2.479 17685 7958 1 16 . 1 1 84 84 GLU HA H 409 3.994 3.994 4.000 -0.006 17685 7959 1 16 . 1 1 84 84 GLU C C 409 179.508 179.508 178.530 0.978 17685 7960 1 16 . 1 1 84 84 GLU CA C 409 59.300 59.300 58.975 0.325 17685 7961 1 16 . 1 1 84 84 GLU CB C 409 28.978 28.978 28.759 0.219 17685 7962 1 16 . 1 1 84 84 GLU H H 409 7.708 7.708 8.201 -0.493 17685 7963 1 16 . 1 1 85 85 VAL N N 410 120.216 120.216 120.894 -0.678 17685 7964 1 16 . 1 1 85 85 VAL HA H 410 3.786 3.786 3.702 0.084 17685 7965 1 16 . 1 1 85 85 VAL C C 410 179.087 179.087 177.987 1.100 17685 7966 1 16 . 1 1 85 85 VAL CA C 410 66.066 66.066 66.298 -0.232 17685 7967 1 16 . 1 1 85 85 VAL CB C 410 32.060 32.060 31.541 0.520 17685 7968 1 16 . 1 1 85 85 VAL H H 410 7.494 7.494 7.611 -0.117 17685 7969 1 16 . 1 1 86 86 LEU N N 411 121.293 121.293 120.412 0.881 17685 7970 1 16 . 1 1 86 86 LEU HA H 411 3.871 3.871 3.787 0.084 17685 7971 1 16 . 1 1 86 86 LEU C C 411 178.844 178.844 179.012 -0.168 17685 7972 1 16 . 1 1 86 86 LEU CA C 411 58.100 58.100 58.424 -0.324 17685 7973 1 16 . 1 1 86 86 LEU CB C 411 42.047 42.047 40.543 1.504 17685 7974 1 16 . 1 1 86 86 LEU H H 411 8.371 8.371 7.992 0.379 17685 7975 1 16 . 1 1 87 87 LYS N N 412 119.536 119.536 117.563 1.973 17685 7976 1 16 . 1 1 87 87 LYS HA H 412 4.206 4.206 3.969 0.237 17685 7977 1 16 . 1 1 87 87 LYS C C 412 179.347 179.347 178.604 0.743 17685 7978 1 16 . 1 1 87 87 LYS CA C 412 60.924 60.924 60.066 0.858 17685 7979 1 16 . 1 1 87 87 LYS CB C 412 32.216 32.216 32.075 0.141 17685 7980 1 16 . 1 1 87 87 LYS H H 412 8.818 8.818 8.730 0.088 17685 7981 1 16 . 1 1 88 88 GLU N N 413 120.780 120.780 120.144 0.636 17685 7982 1 16 . 1 1 88 88 GLU HA H 413 4.127 4.127 4.156 -0.029 17685 7983 1 16 . 1 1 88 88 GLU C C 413 179.469 179.469 178.986 0.483 17685 7984 1 16 . 1 1 88 88 GLU CA C 413 59.720 59.720 59.032 0.688 17685 7985 1 16 . 1 1 88 88 GLU CB C 413 29.021 29.021 29.272 -0.251 17685 7986 1 16 . 1 1 88 88 GLU H H 413 7.882 7.882 7.750 0.132 17685 7987 1 16 . 1 1 89 89 SER N N 414 116.823 116.823 116.594 0.229 17685 7988 1 16 . 1 1 89 89 SER HA H 414 3.765 3.765 4.149 -0.384 17685 7989 1 16 . 1 1 89 89 SER C C 414 176.091 176.091 176.684 -0.593 17685 7990 1 16 . 1 1 89 89 SER CA C 414 63.550 63.550 61.681 1.869 17685 7991 1 16 . 1 1 89 89 SER CB C 414 63.718 63.718 62.423 1.295 17685 7992 1 16 . 1 1 89 89 SER H H 414 8.296 8.296 8.447 -0.151 17685 7993 1 16 . 1 1 90 90 ALA N N 415 123.230 123.230 125.234 -2.004 17685 7994 1 16 . 1 1 90 90 ALA HA H 415 3.831 3.831 3.810 0.021 17685 7995 1 16 . 1 1 90 90 ALA C C 415 177.963 177.963 179.223 -1.260 17685 7996 1 16 . 1 1 90 90 ALA CA C 415 55.415 55.415 55.478 -0.063 17685 7997 1 16 . 1 1 90 90 ALA CB C 415 19.432 19.432 18.218 1.214 17685 7998 1 16 . 1 1 90 90 ALA H H 415 8.805 8.805 8.446 0.359 17685 7999 1 16 . 1 1 91 91 LYS N N 416 117.753 117.753 117.609 0.144 17685 8000 1 16 . 1 1 91 91 LYS HA H 416 3.972 3.972 4.042 -0.070 17685 8001 1 16 . 1 1 91 91 LYS C C 416 178.198 178.198 179.471 -1.273 17685 8002 1 16 . 1 1 91 91 LYS CA C 416 59.817 59.817 59.021 0.796 17685 8003 1 16 . 1 1 91 91 LYS CB C 416 32.247 32.247 31.816 0.431 17685 8004 1 16 . 1 1 91 91 LYS H H 416 8.085 8.085 8.082 0.003 17685 8005 1 16 . 1 1 92 92 THR N N 417 114.597 114.597 116.944 -2.347 17685 8006 1 16 . 1 1 92 92 THR HA H 417 4.075 4.075 4.089 -0.014 17685 8007 1 16 . 1 1 92 92 THR C C 417 177.541 177.541 176.553 0.988 17685 8008 1 16 . 1 1 92 92 THR CA C 417 66.473 66.473 66.574 -0.101 17685 8009 1 16 . 1 1 92 92 THR CB C 417 69.070 69.070 68.497 0.573 17685 8010 1 16 . 1 1 92 92 THR H H 417 7.923 7.923 7.630 0.293 17685 8011 1 16 . 1 1 93 93 ILE N N 418 124.160 124.160 122.202 1.958 17685 8012 1 16 . 1 1 93 93 ILE HA H 418 3.662 3.662 3.626 0.036 17685 8013 1 16 . 1 1 93 93 ILE C C 418 178.114 178.114 177.654 0.460 17685 8014 1 16 . 1 1 93 93 ILE CA C 418 65.626 65.626 65.796 -0.170 17685 8015 1 16 . 1 1 93 93 ILE CB C 418 38.297 38.297 37.599 0.698 17685 8016 1 16 . 1 1 93 93 ILE H H 418 7.984 7.984 8.382 -0.398 17685 8017 1 16 . 1 1 94 94 VAL N N 419 121.566 121.566 120.086 1.480 17685 8018 1 16 . 1 1 94 94 VAL HA H 419 4.156 4.156 4.094 0.062 17685 8019 1 16 . 1 1 94 94 VAL C C 419 181.424 181.424 179.425 1.999 17685 8020 1 16 . 1 1 94 94 VAL CA C 419 65.808 65.808 65.662 0.146 17685 8021 1 16 . 1 1 94 94 VAL CB C 419 31.892 31.892 30.947 0.945 17685 8022 1 16 . 1 1 94 94 VAL H H 419 8.551 8.551 8.346 0.205 17685 8023 1 16 . 1 1 95 95 ASP N N 420 123.788 123.788 121.339 2.449 17685 8024 1 16 . 1 1 95 95 ASP HA H 420 4.477 4.477 4.429 0.048 17685 8025 1 16 . 1 1 95 95 ASP C C 420 178.220 178.220 178.125 0.095 17685 8026 1 16 . 1 1 95 95 ASP CA C 420 57.548 57.548 56.822 0.726 17685 8027 1 16 . 1 1 95 95 ASP CB C 420 39.850 39.850 40.953 -1.103 17685 8028 1 16 . 1 1 95 95 ASP H H 420 9.354 9.354 8.199 1.155 17685 8029 1 16 . 1 1 96 96 SER N N 421 111.960 111.960 113.626 -1.666 17685 8030 1 16 . 1 1 96 96 SER HA H 421 4.526 4.526 4.453 0.073 17685 8031 1 16 . 1 1 96 96 SER C C 421 175.345 175.345 175.203 0.142 17685 8032 1 16 . 1 1 96 96 SER CA C 421 59.433 59.433 58.971 0.462 17685 8033 1 16 . 1 1 96 96 SER CB C 421 64.264 64.264 63.761 0.502 17685 8034 1 16 . 1 1 96 96 SER H H 421 7.862 7.862 7.850 0.012 17685 8035 1 16 . 1 1 97 97 GLY N N 422 110.240 110.240 109.083 1.157 17685 8036 1 16 . 1 1 97 97 GLY C C 422 175.158 175.158 175.095 0.063 17685 8037 1 16 . 1 1 97 97 GLY CA C 422 45.606 45.606 45.655 -0.049 17685 8038 1 16 . 1 1 97 97 GLY H H 422 8.063 8.063 7.677 0.386 17685 8039 1 16 . 1 1 98 98 LYS N N 423 120.213 120.213 119.397 0.816 17685 8040 1 16 . 1 1 98 98 LYS HA H 423 4.083 4.083 4.215 -0.132 17685 8041 1 16 . 1 1 98 98 LYS C C 423 176.681 176.681 176.455 0.226 17685 8042 1 16 . 1 1 98 98 LYS CA C 423 59.417 59.417 58.022 1.395 17685 8043 1 16 . 1 1 98 98 LYS CB C 423 33.453 33.453 33.428 0.025 17685 8044 1 16 . 1 1 98 98 LYS H H 423 7.992 7.992 8.199 -0.207 17685 8045 1 16 . 1 1 99 99 LEU N N 424 114.357 114.357 119.427 -5.070 17685 8046 1 16 . 1 1 99 99 LEU HA H 424 4.848 4.848 4.895 -0.047 17685 8047 1 16 . 1 1 99 99 LEU C C 424 174.161 174.161 174.064 0.097 17685 8048 1 16 . 1 1 99 99 LEU CA C 424 52.225 52.225 51.541 0.683 17685 8049 1 16 . 1 1 99 99 LEU CB C 424 46.075 46.075 44.537 1.538 17685 8050 1 16 . 1 1 99 99 LEU H H 424 6.865 6.865 7.435 -0.570 17685 8051 1 16 . 1 1 100 100 PRO HA H 425 4.650 4.650 4.779 -0.129 17685 8052 1 16 . 1 1 100 100 PRO C C 425 177.559 177.559 177.702 -0.143 17685 8053 1 16 . 1 1 100 100 PRO CA C 425 61.643 61.643 62.332 -0.689 17685 8054 1 16 . 1 1 100 100 PRO CB C 425 32.422 32.422 32.506 -0.084 17685 8055 1 16 . 1 1 101 101 SER N N 426 117.043 117.043 117.463 -0.420 17685 8056 1 16 . 1 1 101 101 SER HA H 426 3.824 3.824 4.128 -0.304 17685 8057 1 16 . 1 1 101 101 SER C C 426 177.202 177.202 176.172 1.030 17685 8058 1 16 . 1 1 101 101 SER CA C 426 61.708 61.708 61.561 0.147 17685 8059 1 16 . 1 1 101 101 SER CB C 426 62.706 62.706 62.380 0.326 17685 8060 1 16 . 1 1 101 101 SER H H 426 8.999 8.999 8.636 0.363 17685 8061 1 16 . 1 1 102 102 SER N N 427 114.761 114.761 118.217 -3.456 17685 8062 1 16 . 1 1 102 102 SER HA H 427 4.112 4.112 4.369 -0.257 17685 8063 1 16 . 1 1 102 102 SER C C 427 176.526 176.526 175.459 1.067 17685 8064 1 16 . 1 1 102 102 SER CA C 427 60.650 60.650 61.181 -0.531 17685 8065 1 16 . 1 1 102 102 SER CB C 427 62.213 62.213 62.842 -0.628 17685 8066 1 16 . 1 1 102 102 SER H H 427 8.115 8.115 8.564 -0.449 17685 8067 1 16 . 1 1 103 103 LEU N N 428 120.408 120.408 118.846 1.562 17685 8068 1 16 . 1 1 103 103 LEU HA H 428 4.435 4.435 4.539 -0.104 17685 8069 1 16 . 1 1 103 103 LEU C C 428 176.698 176.698 175.681 1.017 17685 8070 1 16 . 1 1 103 103 LEU CA C 428 55.847 55.847 54.980 0.868 17685 8071 1 16 . 1 1 103 103 LEU CB C 428 42.586 42.586 42.586 0.000 17685 8072 1 16 . 1 1 103 103 LEU H H 428 7.320 7.320 7.754 -0.434 17685 8073 1 16 . 1 1 104 104 LEU N N 429 117.860 117.860 116.713 1.147 17685 8074 1 16 . 1 1 104 104 LEU HA H 429 4.995 4.995 4.869 0.126 17685 8075 1 16 . 1 1 104 104 LEU C C 429 178.320 178.320 176.937 1.383 17685 8076 1 16 . 1 1 104 104 LEU CA C 429 52.672 52.672 53.992 -1.320 17685 8077 1 16 . 1 1 104 104 LEU CB C 429 43.039 43.039 42.547 0.492 17685 8078 1 16 . 1 1 104 104 LEU H H 429 7.325 7.325 7.836 -0.511 17685 8079 1 16 . 1 1 105 105 SER N N 430 112.664 112.664 116.726 -4.062 17685 8080 1 16 . 1 1 105 105 SER HA H 430 4.259 4.259 4.540 -0.281 17685 8081 1 16 . 1 1 105 105 SER C C 430 175.288 175.288 175.387 -0.099 17685 8082 1 16 . 1 1 105 105 SER CA C 430 61.247 61.247 61.017 0.230 17685 8083 1 16 . 1 1 105 105 SER CB C 430 64.058 64.058 62.617 1.441 17685 8084 1 16 . 1 1 105 105 SER H H 430 6.990 6.990 8.482 -1.492 17685 8085 1 16 . 1 1 106 106 TYR N N 431 125.624 125.624 121.191 4.433 17685 8086 1 16 . 1 1 106 106 TYR HA H 431 4.060 4.060 4.294 -0.234 17685 8087 1 16 . 1 1 106 106 TYR C C 431 176.064 176.064 175.111 0.953 17685 8088 1 16 . 1 1 106 106 TYR CA C 431 61.449 61.449 60.605 0.844 17685 8089 1 16 . 1 1 106 106 TYR CB C 431 38.282 38.282 39.100 -0.818 17685 8090 1 16 . 1 1 106 106 TYR H H 431 10.433 10.433 8.300 2.133 17685 8091 1 16 . 1 1 107 107 PHE N N 432 113.203 113.203 113.938 -0.735 17685 8092 1 16 . 1 1 107 107 PHE HA H 432 4.314 4.314 4.389 -0.075 17685 8093 1 16 . 1 1 107 107 PHE C C 432 173.901 173.901 175.532 -1.631 17685 8094 1 16 . 1 1 107 107 PHE CA C 432 59.810 59.810 60.235 -0.425 17685 8095 1 16 . 1 1 107 107 PHE CB C 432 43.249 43.249 40.707 2.542 17685 8096 1 16 . 1 1 107 107 PHE H H 432 7.955 7.955 7.856 0.099 17685 8097 1 17 . 1 1 22 22 SER N N 347 116.741 116.741 114.741 2.000 17685 8098 1 17 . 1 1 22 22 SER HA H 347 4.355 4.355 4.623 -0.268 17685 8099 1 17 . 1 1 22 22 SER C C 347 176.272 176.272 175.750 0.522 17685 8100 1 17 . 1 1 22 22 SER CA C 347 59.651 59.651 57.122 2.529 17685 8101 1 17 . 1 1 22 22 SER CB C 347 63.231 63.231 64.626 -1.395 17685 8102 1 17 . 1 1 22 22 SER H H 347 8.311 8.311 8.173 0.138 17685 8103 1 17 . 1 1 23 23 LYS N N 348 124.398 124.398 122.018 2.380 17685 8104 1 17 . 1 1 23 23 LYS HA H 348 4.142 4.142 4.004 0.138 17685 8105 1 17 . 1 1 23 23 LYS C C 348 178.743 178.743 178.844 -0.101 17685 8106 1 17 . 1 1 23 23 LYS CA C 348 59.304 59.304 59.625 -0.321 17685 8107 1 17 . 1 1 23 23 LYS CB C 348 32.301 32.301 31.896 0.405 17685 8108 1 17 . 1 1 23 23 LYS H H 348 8.611 8.611 8.709 -0.098 17685 8109 1 17 . 1 1 24 24 ALA N N 349 122.494 122.494 121.286 1.208 17685 8110 1 17 . 1 1 24 24 ALA HA H 349 4.137 4.137 4.222 -0.085 17685 8111 1 17 . 1 1 24 24 ALA C C 349 179.869 179.869 179.622 0.247 17685 8112 1 17 . 1 1 24 24 ALA CA C 349 54.811 54.811 54.614 0.197 17685 8113 1 17 . 1 1 24 24 ALA CB C 349 18.284 18.284 18.074 0.210 17685 8114 1 17 . 1 1 24 24 ALA H H 349 8.245 8.245 8.233 0.012 17685 8115 1 17 . 1 1 25 25 ALA N N 350 121.576 121.576 121.803 -0.227 17685 8116 1 17 . 1 1 25 25 ALA HA H 350 4.136 4.136 4.085 0.051 17685 8117 1 17 . 1 1 25 25 ALA C C 350 178.743 178.743 179.930 -1.187 17685 8118 1 17 . 1 1 25 25 ALA CA C 350 54.632 54.632 54.848 -0.216 17685 8119 1 17 . 1 1 25 25 ALA CB C 350 18.299 18.299 18.132 0.167 17685 8120 1 17 . 1 1 25 25 ALA H H 350 8.014 8.014 8.408 -0.394 17685 8121 1 17 . 1 1 26 26 LYS N N 351 119.618 119.618 117.839 1.779 17685 8122 1 17 . 1 1 26 26 LYS HA H 351 4.196 4.196 3.940 0.256 17685 8123 1 17 . 1 1 26 26 LYS C C 351 178.485 178.485 178.945 -0.460 17685 8124 1 17 . 1 1 26 26 LYS CA C 351 60.014 60.014 59.897 0.117 17685 8125 1 17 . 1 1 26 26 LYS CB C 351 32.511 32.511 32.126 0.385 17685 8126 1 17 . 1 1 26 26 LYS H H 351 7.831 7.831 8.013 -0.182 17685 8127 1 17 . 1 1 27 27 LYS N N 352 118.080 118.080 118.014 0.066 17685 8128 1 17 . 1 1 27 27 LYS HA H 352 3.958 3.958 4.143 -0.185 17685 8129 1 17 . 1 1 27 27 LYS C C 352 179.564 179.564 178.723 0.841 17685 8130 1 17 . 1 1 27 27 LYS CA C 352 60.092 60.092 58.399 1.693 17685 8131 1 17 . 1 1 27 27 LYS CB C 352 32.550 32.550 31.873 0.676 17685 8132 1 17 . 1 1 27 27 LYS H H 352 7.905 7.905 7.543 0.362 17685 8133 1 17 . 1 1 28 28 LYS N N 353 119.878 119.878 120.565 -0.687 17685 8134 1 17 . 1 1 28 28 LYS HA H 353 4.023 4.023 3.945 0.078 17685 8135 1 17 . 1 1 28 28 LYS C C 353 179.270 179.270 178.866 0.404 17685 8136 1 17 . 1 1 28 28 LYS CA C 353 59.806 59.806 59.611 0.195 17685 8137 1 17 . 1 1 28 28 LYS CB C 353 32.324 32.324 32.325 -0.001 17685 8138 1 17 . 1 1 28 28 LYS H H 353 7.934 7.934 8.178 -0.244 17685 8139 1 17 . 1 1 29 29 ASN N N 354 119.780 119.780 117.645 2.135 17685 8140 1 17 . 1 1 29 29 ASN HA H 354 4.557 4.557 4.440 0.117 17685 8141 1 17 . 1 1 29 29 ASN C C 354 177.395 177.395 177.569 -0.174 17685 8142 1 17 . 1 1 29 29 ASN CA C 354 56.167 56.167 56.506 -0.339 17685 8143 1 17 . 1 1 29 29 ASN CB C 354 37.928 37.928 38.345 -0.417 17685 8144 1 17 . 1 1 29 29 ASN H H 354 8.524 8.524 8.458 0.066 17685 8145 1 17 . 1 1 30 30 LYS N N 355 118.850 118.850 120.028 -1.178 17685 8146 1 17 . 1 1 30 30 LYS HA H 355 3.820 3.820 3.897 -0.077 17685 8147 1 17 . 1 1 30 30 LYS C C 355 178.266 178.266 178.889 -0.623 17685 8148 1 17 . 1 1 30 30 LYS CA C 355 61.698 61.698 60.114 1.584 17685 8149 1 17 . 1 1 30 30 LYS CB C 355 33.000 33.000 32.289 0.711 17685 8150 1 17 . 1 1 30 30 LYS H H 355 8.599 8.599 7.571 1.028 17685 8151 1 17 . 1 1 31 31 ARG N N 356 118.226 118.226 117.142 1.084 17685 8152 1 17 . 1 1 31 31 ARG HA H 356 3.940 3.940 4.119 -0.179 17685 8153 1 17 . 1 1 31 31 ARG C C 356 177.676 177.676 178.327 -0.651 17685 8154 1 17 . 1 1 31 31 ARG CA C 356 59.316 59.316 59.035 0.281 17685 8155 1 17 . 1 1 31 31 ARG CB C 356 30.266 30.266 29.701 0.565 17685 8156 1 17 . 1 1 31 31 ARG H H 356 7.809 7.809 7.552 0.257 17685 8157 1 17 . 1 1 32 32 ALA N N 357 120.780 120.780 123.354 -2.574 17685 8158 1 17 . 1 1 32 32 ALA HA H 357 4.104 4.104 4.095 0.009 17685 8159 1 17 . 1 1 32 32 ALA C C 357 181.157 181.157 179.698 1.459 17685 8160 1 17 . 1 1 32 32 ALA CA C 357 55.118 55.118 54.859 0.259 17685 8161 1 17 . 1 1 32 32 ALA CB C 357 18.064 18.064 18.225 -0.161 17685 8162 1 17 . 1 1 32 32 ALA H H 357 8.155 8.155 8.199 -0.044 17685 8163 1 17 . 1 1 33 33 ILE N N 358 116.468 116.468 118.214 -1.746 17685 8164 1 17 . 1 1 33 33 ILE HA H 358 3.590 3.590 3.551 0.038 17685 8165 1 17 . 1 1 33 33 ILE C C 358 179.458 179.458 177.936 1.522 17685 8166 1 17 . 1 1 33 33 ILE CA C 358 65.775 65.775 65.237 0.538 17685 8167 1 17 . 1 1 33 33 ILE CB C 358 38.592 38.592 37.715 0.877 17685 8168 1 17 . 1 1 33 33 ILE H H 358 7.929 7.929 8.431 -0.502 17685 8169 1 17 . 1 1 34 34 ARG N N 359 119.937 119.937 119.769 0.168 17685 8170 1 17 . 1 1 34 34 ARG HA H 359 3.998 3.998 3.990 0.008 17685 8171 1 17 . 1 1 34 34 ARG C C 359 179.124 179.124 179.143 -0.019 17685 8172 1 17 . 1 1 34 34 ARG CA C 359 60.029 60.029 59.798 0.231 17685 8173 1 17 . 1 1 34 34 ARG CB C 359 30.576 30.576 29.820 0.756 17685 8174 1 17 . 1 1 34 34 ARG H H 359 8.672 8.672 7.722 0.950 17685 8175 1 17 . 1 1 35 35 ASN N N 360 116.359 116.359 118.283 -1.924 17685 8176 1 17 . 1 1 35 35 ASN HA H 360 4.575 4.575 4.451 0.124 17685 8177 1 17 . 1 1 35 35 ASN C C 360 175.723 175.723 176.710 -0.987 17685 8178 1 17 . 1 1 35 35 ASN CA C 360 54.215 54.215 56.049 -1.834 17685 8179 1 17 . 1 1 35 35 ASN CB C 360 38.575 38.575 38.327 0.248 17685 8180 1 17 . 1 1 35 35 ASN H H 360 8.454 8.454 8.460 -0.006 17685 8181 1 17 . 1 1 36 36 SER N N 361 115.734 115.734 116.197 -0.463 17685 8182 1 17 . 1 1 36 36 SER HA H 361 3.995 3.995 4.167 -0.172 17685 8183 1 17 . 1 1 36 36 SER C C 361 176.129 176.129 176.006 0.123 17685 8184 1 17 . 1 1 36 36 SER CA C 361 62.349 62.349 61.918 0.431 17685 8185 1 17 . 1 1 36 36 SER CB C 361 63.664 63.664 62.873 0.791 17685 8186 1 17 . 1 1 36 36 SER H H 361 7.617 7.617 7.762 -0.145 17685 8187 1 17 . 1 1 37 37 ALA N N 362 124.421 124.421 123.436 0.985 17685 8188 1 17 . 1 1 37 37 ALA HA H 362 3.770 3.770 3.765 0.005 17685 8189 1 17 . 1 1 37 37 ALA C C 362 178.482 178.482 177.589 0.893 17685 8190 1 17 . 1 1 37 37 ALA CA C 362 54.821 54.821 53.755 1.065 17685 8191 1 17 . 1 1 37 37 ALA CB C 362 18.347 18.347 18.124 0.223 17685 8192 1 17 . 1 1 37 37 ALA H H 362 6.868 6.868 7.623 -0.755 17685 8193 1 17 . 1 1 38 38 LYS N N 363 122.319 122.319 117.477 4.842 17685 8194 1 17 . 1 1 38 38 LYS HA H 363 2.913 2.913 3.987 -1.074 17685 8195 1 17 . 1 1 38 38 LYS C C 363 180.669 180.669 179.808 0.861 17685 8196 1 17 . 1 1 38 38 LYS CA C 363 59.567 59.567 58.967 0.600 17685 8197 1 17 . 1 1 38 38 LYS CB C 363 31.563 31.563 32.396 -0.833 17685 8198 1 17 . 1 1 38 38 LYS H H 363 8.317 8.317 7.278 1.039 17685 8199 1 17 . 1 1 39 39 GLU N N 364 118.666 118.666 119.013 -0.347 17685 8200 1 17 . 1 1 39 39 GLU HA H 364 4.015 4.015 4.153 -0.138 17685 8201 1 17 . 1 1 39 39 GLU C C 364 176.609 176.609 178.045 -1.436 17685 8202 1 17 . 1 1 39 39 GLU CA C 364 58.674 58.674 58.642 0.032 17685 8203 1 17 . 1 1 39 39 GLU CB C 364 29.058 29.058 29.560 -0.502 17685 8204 1 17 . 1 1 39 39 GLU H H 364 7.935 7.935 8.363 -0.428 17685 8205 1 17 . 1 1 40 40 ALA N N 365 121.145 121.145 119.650 1.495 17685 8206 1 17 . 1 1 40 40 ALA HA H 365 4.663 4.663 4.517 0.146 17685 8207 1 17 . 1 1 40 40 ALA C C 365 177.688 177.688 175.881 1.807 17685 8208 1 17 . 1 1 40 40 ALA CA C 365 50.931 50.931 50.931 0.000 17685 8209 1 17 . 1 1 40 40 ALA CB C 365 18.566 18.566 19.906 -1.340 17685 8210 1 17 . 1 1 40 40 ALA H H 365 7.049 7.049 7.855 -0.806 17685 8211 1 17 . 1 1 41 41 ASP N N 366 121.103 121.103 116.944 4.159 17685 8212 1 17 . 1 1 41 41 ASP HA H 366 4.338 4.338 4.189 0.149 17685 8213 1 17 . 1 1 41 41 ASP C C 366 175.644 175.644 174.998 0.646 17685 8214 1 17 . 1 1 41 41 ASP CA C 366 55.898 55.898 54.592 1.306 17685 8215 1 17 . 1 1 41 41 ASP CB C 366 39.353 39.353 41.006 -1.653 17685 8216 1 17 . 1 1 41 41 ASP H H 366 8.099 8.099 7.229 0.870 17685 8217 1 17 . 1 1 42 42 TYR N N 367 110.700 110.700 120.330 -9.630 17685 8218 1 17 . 1 1 42 42 TYR HA H 367 2.485 2.485 3.969 -1.484 17685 8219 1 17 . 1 1 42 42 TYR C C 367 174.307 174.307 176.023 -1.716 17685 8220 1 17 . 1 1 42 42 TYR CA C 367 61.064 61.064 58.467 2.597 17685 8221 1 17 . 1 1 42 42 TYR CB C 367 34.242 34.242 38.075 -3.833 17685 8222 1 17 . 1 1 42 42 TYR H H 367 8.364 8.364 8.784 -0.420 17685 8223 1 17 . 1 1 43 43 PHE N N 368 111.305 111.305 115.922 -4.617 17685 8224 1 17 . 1 1 43 43 PHE HA H 368 4.666 4.666 4.211 0.455 17685 8225 1 17 . 1 1 43 43 PHE C C 368 177.162 177.162 176.170 0.992 17685 8226 1 17 . 1 1 43 43 PHE CA C 368 56.561 56.561 58.746 -2.185 17685 8227 1 17 . 1 1 43 43 PHE CB C 368 36.514 36.514 35.839 0.675 17685 8228 1 17 . 1 1 43 43 PHE H H 368 7.666 7.666 7.605 0.061 17685 8229 1 17 . 1 1 44 44 GLY N N 369 106.300 106.300 105.442 0.858 17685 8230 1 17 . 1 1 44 44 GLY C C 369 174.446 174.446 174.610 -0.164 17685 8231 1 17 . 1 1 44 44 GLY CA C 369 45.780 45.780 45.083 0.697 17685 8232 1 17 . 1 1 44 44 GLY H H 369 7.671 7.671 8.215 -0.544 17685 8233 1 17 . 1 1 45 45 ASP N N 370 122.876 122.876 120.871 2.005 17685 8234 1 17 . 1 1 45 45 ASP HA H 370 5.323 5.323 4.860 0.463 17685 8235 1 17 . 1 1 45 45 ASP C C 370 176.360 176.360 176.277 0.083 17685 8236 1 17 . 1 1 45 45 ASP CA C 370 53.322 53.322 53.855 -0.533 17685 8237 1 17 . 1 1 45 45 ASP CB C 370 41.391 41.391 41.366 0.025 17685 8238 1 17 . 1 1 45 45 ASP H H 370 8.331 8.331 8.074 0.257 17685 8239 1 17 . 1 1 46 46 ALA N N 371 121.771 121.771 123.311 -1.540 17685 8240 1 17 . 1 1 46 46 ALA HA H 371 3.600 3.600 3.710 -0.110 17685 8241 1 17 . 1 1 46 46 ALA C C 371 179.111 179.111 178.915 0.196 17685 8242 1 17 . 1 1 46 46 ALA CA C 371 56.038 56.038 54.776 1.262 17685 8243 1 17 . 1 1 46 46 ALA CB C 371 17.942 17.942 18.523 -0.581 17685 8244 1 17 . 1 1 46 46 ALA H H 371 8.282 8.282 8.318 -0.036 17685 8245 1 17 . 1 1 47 47 ASP N N 372 116.273 116.273 116.131 0.142 17685 8246 1 17 . 1 1 47 47 ASP HA H 372 4.359 4.359 4.377 -0.018 17685 8247 1 17 . 1 1 47 47 ASP C C 372 177.019 177.019 176.824 0.195 17685 8248 1 17 . 1 1 47 47 ASP CA C 372 55.832 55.832 56.577 -0.744 17685 8249 1 17 . 1 1 47 47 ASP CB C 372 39.190 39.190 40.649 -1.459 17685 8250 1 17 . 1 1 47 47 ASP H H 372 9.068 9.068 8.695 0.373 17685 8251 1 17 . 1 1 48 48 LYS N N 373 120.180 120.180 115.621 4.559 17685 8252 1 17 . 1 1 48 48 LYS HA H 373 4.723 4.723 4.596 0.127 17685 8253 1 17 . 1 1 48 48 LYS C C 373 175.542 175.542 176.038 -0.496 17685 8254 1 17 . 1 1 48 48 LYS CA C 373 54.787 54.787 54.789 -0.002 17685 8255 1 17 . 1 1 48 48 LYS CB C 373 32.179 32.179 31.744 0.435 17685 8256 1 17 . 1 1 48 48 LYS H H 373 8.050 8.050 7.681 0.369 17685 8257 1 17 . 1 1 49 49 ALA N N 374 122.498 122.498 123.266 -0.768 17685 8258 1 17 . 1 1 49 49 ALA HA H 374 3.068 3.068 4.030 -0.962 17685 8259 1 17 . 1 1 49 49 ALA C C 374 177.781 177.781 179.022 -1.241 17685 8260 1 17 . 1 1 49 49 ALA CA C 374 56.962 56.962 55.893 1.069 17685 8261 1 17 . 1 1 49 49 ALA CB C 374 17.855 17.855 17.761 0.094 17685 8262 1 17 . 1 1 49 49 ALA H H 374 7.045 7.045 7.498 -0.453 17685 8263 1 17 . 1 1 50 50 THR N N 375 108.573 108.573 112.746 -4.173 17685 8264 1 17 . 1 1 50 50 THR HA H 375 4.044 4.044 3.989 0.055 17685 8265 1 17 . 1 1 50 50 THR C C 375 177.647 177.647 176.566 1.081 17685 8266 1 17 . 1 1 50 50 THR CA C 375 66.201 66.201 67.644 -1.443 17685 8267 1 17 . 1 1 50 50 THR CB C 375 68.334 68.334 68.072 0.262 17685 8268 1 17 . 1 1 50 50 THR H H 375 8.285 8.285 8.372 -0.087 17685 8269 1 17 . 1 1 51 51 THR N N 376 120.018 120.018 119.570 0.448 17685 8270 1 17 . 1 1 51 51 THR HA H 376 4.147 4.147 4.068 0.079 17685 8271 1 17 . 1 1 51 51 THR C C 376 175.499 175.499 176.565 -1.066 17685 8272 1 17 . 1 1 51 51 THR CA C 376 66.145 66.145 66.643 -0.498 17685 8273 1 17 . 1 1 51 51 THR CB C 376 69.382 69.382 68.490 0.892 17685 8274 1 17 . 1 1 51 51 THR H H 376 7.359 7.359 7.336 0.023 17685 8275 1 17 . 1 1 52 52 ILE N N 377 122.319 122.319 122.262 0.057 17685 8276 1 17 . 1 1 52 52 ILE HA H 377 3.168 3.168 3.543 -0.375 17685 8277 1 17 . 1 1 52 52 ILE C C 377 177.879 177.879 177.601 0.278 17685 8278 1 17 . 1 1 52 52 ILE CA C 377 67.070 67.070 65.842 1.228 17685 8279 1 17 . 1 1 52 52 ILE CB C 377 38.257 38.257 37.570 0.687 17685 8280 1 17 . 1 1 52 52 ILE H H 377 8.346 8.346 8.509 -0.163 17685 8281 1 17 . 1 1 53 53 ASP N N 378 117.696 117.696 120.107 -2.411 17685 8282 1 17 . 1 1 53 53 ASP HA H 378 4.739 4.739 4.379 0.360 17685 8283 1 17 . 1 1 53 53 ASP C C 378 180.094 180.094 178.537 1.557 17685 8284 1 17 . 1 1 53 53 ASP CA C 378 58.044 58.044 57.929 0.115 17685 8285 1 17 . 1 1 53 53 ASP CB C 378 39.648 39.648 40.948 -1.300 17685 8286 1 17 . 1 1 53 53 ASP H H 378 8.991 8.991 8.486 0.505 17685 8287 1 17 . 1 1 54 54 GLU N N 379 121.956 121.956 119.772 2.184 17685 8288 1 17 . 1 1 54 54 GLU HA H 379 4.174 4.174 4.014 0.160 17685 8289 1 17 . 1 1 54 54 GLU C C 379 179.679 179.679 179.269 0.410 17685 8290 1 17 . 1 1 54 54 GLU CA C 379 59.572 59.572 59.294 0.278 17685 8291 1 17 . 1 1 54 54 GLU CB C 379 29.324 29.324 29.647 -0.323 17685 8292 1 17 . 1 1 54 54 GLU H H 379 7.946 7.946 7.853 0.093 17685 8293 1 17 . 1 1 55 55 GLN N N 380 120.733 120.733 119.084 1.649 17685 8294 1 17 . 1 1 55 55 GLN HA H 380 4.171 4.171 4.183 -0.012 17685 8295 1 17 . 1 1 55 55 GLN C C 380 178.288 178.288 178.965 -0.677 17685 8296 1 17 . 1 1 55 55 GLN CA C 380 59.994 59.994 58.614 1.380 17685 8297 1 17 . 1 1 55 55 GLN CB C 380 29.566 29.566 28.657 0.909 17685 8298 1 17 . 1 1 55 55 GLN H H 380 8.357 8.357 8.526 -0.169 17685 8299 1 17 . 1 1 56 56 VAL N N 381 120.353 120.353 119.057 1.296 17685 8300 1 17 . 1 1 56 56 VAL HA H 381 3.536 3.536 3.640 -0.104 17685 8301 1 17 . 1 1 56 56 VAL C C 381 178.220 178.220 178.416 -0.196 17685 8302 1 17 . 1 1 56 56 VAL CA C 381 67.557 67.557 66.426 1.131 17685 8303 1 17 . 1 1 56 56 VAL CB C 381 31.349 31.349 30.616 0.733 17685 8304 1 17 . 1 1 56 56 VAL H H 381 9.484 9.484 8.545 0.939 17685 8305 1 17 . 1 1 57 57 GLY N N 382 106.926 106.926 107.885 -0.959 17685 8306 1 17 . 1 1 57 57 GLY C C 382 174.843 174.843 176.526 -1.683 17685 8307 1 17 . 1 1 57 57 GLY CA C 382 47.694 47.694 47.211 0.483 17685 8308 1 17 . 1 1 57 57 GLY H H 382 8.169 8.169 8.091 0.078 17685 8309 1 17 . 1 1 58 58 LEU N N 383 120.610 120.610 122.599 -1.989 17685 8310 1 17 . 1 1 58 58 LEU HA H 383 4.151 4.151 4.058 0.093 17685 8311 1 17 . 1 1 58 58 LEU C C 383 180.087 180.087 178.915 1.172 17685 8312 1 17 . 1 1 58 58 LEU CA C 383 57.974 57.974 57.506 0.468 17685 8313 1 17 . 1 1 58 58 LEU CB C 383 42.125 42.125 41.767 0.358 17685 8314 1 17 . 1 1 58 58 LEU H H 383 7.568 7.568 8.131 -0.563 17685 8315 1 17 . 1 1 59 59 ILE N N 384 120.213 120.213 120.114 0.099 17685 8316 1 17 . 1 1 59 59 ILE HA H 384 3.416 3.416 3.564 -0.148 17685 8317 1 17 . 1 1 59 59 ILE C C 384 178.310 178.310 178.017 0.293 17685 8318 1 17 . 1 1 59 59 ILE CA C 384 66.069 66.069 65.713 0.356 17685 8319 1 17 . 1 1 59 59 ILE CB C 384 38.233 38.233 37.782 0.452 17685 8320 1 17 . 1 1 59 59 ILE H H 384 8.057 8.057 8.109 -0.052 17685 8321 1 17 . 1 1 60 60 VAL N N 385 115.546 115.546 114.172 1.374 17685 8322 1 17 . 1 1 60 60 VAL HA H 385 3.560 3.560 3.653 -0.093 17685 8323 1 17 . 1 1 60 60 VAL C C 385 177.921 177.921 176.777 1.144 17685 8324 1 17 . 1 1 60 60 VAL CA C 385 66.702 66.702 65.232 1.470 17685 8325 1 17 . 1 1 60 60 VAL CB C 385 31.565 31.565 31.780 -0.215 17685 8326 1 17 . 1 1 60 60 VAL H H 385 8.672 8.672 8.201 0.471 17685 8327 1 17 . 1 1 61 61 ASP N N 386 117.831 117.831 118.932 -1.101 17685 8328 1 17 . 1 1 61 61 ASP HA H 386 4.571 4.571 4.507 0.064 17685 8329 1 17 . 1 1 61 61 ASP C C 386 177.238 177.238 177.748 -0.510 17685 8330 1 17 . 1 1 61 61 ASP CA C 386 56.184 56.184 56.280 -0.096 17685 8331 1 17 . 1 1 61 61 ASP CB C 386 40.632 40.632 41.428 -0.796 17685 8332 1 17 . 1 1 61 61 ASP H H 386 7.988 7.988 7.864 0.124 17685 8333 1 17 . 1 1 62 62 SER N N 387 114.761 114.761 114.506 0.255 17685 8334 1 17 . 1 1 62 62 SER HA H 387 4.577 4.577 4.418 0.159 17685 8335 1 17 . 1 1 62 62 SER C C 387 173.645 173.645 174.685 -1.040 17685 8336 1 17 . 1 1 62 62 SER CA C 387 59.694 59.694 59.898 -0.204 17685 8337 1 17 . 1 1 62 62 SER CB C 387 64.588 64.588 63.942 0.646 17685 8338 1 17 . 1 1 62 62 SER H H 387 7.755 7.755 7.683 0.072 17685 8339 1 17 . 1 1 63 63 LEU N N 388 121.610 121.610 120.218 1.392 17685 8340 1 17 . 1 1 63 63 LEU HA H 388 4.506 4.506 4.337 0.169 17685 8341 1 17 . 1 1 63 63 LEU C C 388 177.071 177.071 174.624 2.447 17685 8342 1 17 . 1 1 63 63 LEU CA C 388 54.490 54.490 53.932 0.558 17685 8343 1 17 . 1 1 63 63 LEU CB C 388 42.414 42.414 43.499 -1.085 17685 8344 1 17 . 1 1 63 63 LEU H H 388 7.083 7.083 7.204 -0.121 17685 8345 1 17 . 1 1 64 64 ASN N N 389 122.154 122.154 115.720 6.434 17685 8346 1 17 . 1 1 64 64 ASN HA H 389 4.748 4.748 4.835 -0.087 17685 8347 1 17 . 1 1 64 64 ASN C C 389 175.144 175.144 175.732 -0.588 17685 8348 1 17 . 1 1 64 64 ASN CA C 389 51.898 51.898 51.492 0.406 17685 8349 1 17 . 1 1 64 64 ASN CB C 389 37.762 37.762 39.570 -1.808 17685 8350 1 17 . 1 1 64 64 ASN H H 389 9.587 9.587 8.106 1.481 17685 8351 1 17 . 1 1 65 65 ASP N N 390 116.882 116.882 117.018 -0.136 17685 8352 1 17 . 1 1 65 65 ASP HA H 390 4.288 4.288 4.203 0.085 17685 8353 1 17 . 1 1 65 65 ASP C C 390 178.601 178.601 177.455 1.146 17685 8354 1 17 . 1 1 65 65 ASP CA C 390 58.992 58.992 57.721 1.271 17685 8355 1 17 . 1 1 65 65 ASP CB C 390 40.168 40.168 40.481 -0.313 17685 8356 1 17 . 1 1 65 65 ASP H H 390 8.504 8.504 8.828 -0.324 17685 8357 1 17 . 1 1 66 66 GLU N N 391 119.807 119.807 121.125 -1.318 17685 8358 1 17 . 1 1 66 66 GLU HA H 391 4.048 4.048 4.137 -0.089 17685 8359 1 17 . 1 1 66 66 GLU C C 391 179.549 179.549 179.016 0.533 17685 8360 1 17 . 1 1 66 66 GLU CA C 391 59.943 59.943 59.000 0.943 17685 8361 1 17 . 1 1 66 66 GLU CB C 391 29.119 29.119 29.591 -0.472 17685 8362 1 17 . 1 1 66 66 GLU H H 391 8.318 8.318 7.812 0.506 17685 8363 1 17 . 1 1 67 67 GLU N N 392 121.747 121.747 119.959 1.788 17685 8364 1 17 . 1 1 67 67 GLU HA H 392 4.151 4.151 4.063 0.088 17685 8365 1 17 . 1 1 67 67 GLU C C 392 180.544 180.544 179.264 1.280 17685 8366 1 17 . 1 1 67 67 GLU CA C 392 58.307 58.307 58.930 -0.623 17685 8367 1 17 . 1 1 67 67 GLU CB C 392 30.933 30.933 29.335 1.598 17685 8368 1 17 . 1 1 67 67 GLU H H 392 8.709 8.709 9.220 -0.511 17685 8369 1 17 . 1 1 68 68 LEU N N 393 123.523 123.523 120.570 2.953 17685 8370 1 17 . 1 1 68 68 LEU HA H 393 3.923 3.923 4.030 -0.107 17685 8371 1 17 . 1 1 68 68 LEU C C 393 178.151 178.151 179.442 -1.291 17685 8372 1 17 . 1 1 68 68 LEU CA C 393 58.642 58.642 58.015 0.627 17685 8373 1 17 . 1 1 68 68 LEU CB C 393 42.304 42.304 41.689 0.615 17685 8374 1 17 . 1 1 68 68 LEU H H 393 8.930 8.930 8.374 0.556 17685 8375 1 17 . 1 1 69 69 VAL N N 394 118.071 118.071 118.654 -0.583 17685 8376 1 17 . 1 1 69 69 VAL HA H 394 3.527 3.527 3.821 -0.294 17685 8377 1 17 . 1 1 69 69 VAL C C 394 177.701 177.701 178.797 -1.096 17685 8378 1 17 . 1 1 69 69 VAL CA C 394 66.494 66.494 66.389 0.105 17685 8379 1 17 . 1 1 69 69 VAL CB C 394 32.103 32.103 31.353 0.750 17685 8380 1 17 . 1 1 69 69 VAL H H 394 7.304 7.304 8.037 -0.733 17685 8381 1 17 . 1 1 70 70 SER N N 395 112.686 112.686 115.608 -2.922 17685 8382 1 17 . 1 1 70 70 SER HA H 395 4.238 4.238 4.127 0.111 17685 8383 1 17 . 1 1 70 70 SER C C 395 177.618 177.618 176.658 0.960 17685 8384 1 17 . 1 1 70 70 SER CA C 395 61.410 61.410 61.905 -0.495 17685 8385 1 17 . 1 1 70 70 SER CB C 395 63.002 63.002 63.020 -0.018 17685 8386 1 17 . 1 1 70 70 SER H H 395 7.906 7.906 7.875 0.030 17685 8387 1 17 . 1 1 71 71 THR N N 396 118.003 118.003 115.399 2.604 17685 8388 1 17 . 1 1 71 71 THR HA H 396 3.767 3.767 4.072 -0.305 17685 8389 1 17 . 1 1 71 71 THR C C 396 175.404 175.404 176.613 -1.209 17685 8390 1 17 . 1 1 71 71 THR CA C 396 67.763 67.763 65.286 2.477 17685 8391 1 17 . 1 1 71 71 THR CB C 396 68.498 68.498 68.869 -0.371 17685 8392 1 17 . 1 1 71 71 THR H H 396 8.511 8.511 8.330 0.181 17685 8393 1 17 . 1 1 72 72 ALA N N 397 123.373 123.373 124.057 -0.684 17685 8394 1 17 . 1 1 72 72 ALA HA H 397 3.857 3.857 3.917 -0.060 17685 8395 1 17 . 1 1 72 72 ALA C C 397 180.173 180.173 178.977 1.196 17685 8396 1 17 . 1 1 72 72 ALA CA C 397 56.079 56.079 55.230 0.849 17685 8397 1 17 . 1 1 72 72 ALA CB C 397 17.767 17.767 18.193 -0.426 17685 8398 1 17 . 1 1 72 72 ALA H H 397 8.268 8.268 8.452 -0.184 17685 8399 1 17 . 1 1 73 73 ASP N N 398 118.963 118.963 118.406 0.557 17685 8400 1 17 . 1 1 73 73 ASP HA H 398 4.382 4.382 4.366 0.016 17685 8401 1 17 . 1 1 73 73 ASP C C 398 179.471 179.471 178.545 0.926 17685 8402 1 17 . 1 1 73 73 ASP CA C 398 57.692 57.692 57.446 0.246 17685 8403 1 17 . 1 1 73 73 ASP CB C 398 40.015 40.015 40.886 -0.871 17685 8404 1 17 . 1 1 73 73 ASP H H 398 8.585 8.585 8.273 0.312 17685 8405 1 17 . 1 1 74 74 LYS N N 399 120.591 120.591 119.377 1.214 17685 8406 1 17 . 1 1 74 74 LYS HA H 399 4.050 4.050 4.063 -0.013 17685 8407 1 17 . 1 1 74 74 LYS C C 399 180.082 180.082 179.268 0.814 17685 8408 1 17 . 1 1 74 74 LYS CA C 399 60.001 60.001 59.159 0.842 17685 8409 1 17 . 1 1 74 74 LYS CB C 399 34.080 34.080 32.438 1.642 17685 8410 1 17 . 1 1 74 74 LYS H H 399 8.003 8.003 7.498 0.505 17685 8411 1 17 . 1 1 75 75 ILE N N 400 120.602 120.602 119.532 1.070 17685 8412 1 17 . 1 1 75 75 ILE HA H 400 3.687 3.687 3.786 -0.099 17685 8413 1 17 . 1 1 75 75 ILE C C 400 177.770 177.770 177.977 -0.207 17685 8414 1 17 . 1 1 75 75 ILE CA C 400 64.860 64.860 64.681 0.179 17685 8415 1 17 . 1 1 75 75 ILE CB C 400 38.253 38.253 37.739 0.514 17685 8416 1 17 . 1 1 75 75 ILE H H 400 7.877 7.877 7.736 0.141 17685 8417 1 17 . 1 1 76 76 LYS N N 401 120.036 120.036 119.025 1.011 17685 8418 1 17 . 1 1 76 76 LYS HA H 401 4.032 4.032 4.100 -0.068 17685 8419 1 17 . 1 1 76 76 LYS C C 401 178.423 178.423 178.716 -0.293 17685 8420 1 17 . 1 1 76 76 LYS CA C 401 58.735 58.735 58.525 0.210 17685 8421 1 17 . 1 1 76 76 LYS CB C 401 32.325 32.325 31.659 0.666 17685 8422 1 17 . 1 1 76 76 LYS H H 401 8.260 8.260 7.450 0.810 17685 8423 1 17 . 1 1 77 77 ALA N N 402 118.655 118.655 120.571 -1.916 17685 8424 1 17 . 1 1 77 77 ALA HA H 402 4.205 4.205 4.175 0.030 17685 8425 1 17 . 1 1 77 77 ALA C C 402 177.949 177.949 178.265 -0.316 17685 8426 1 17 . 1 1 77 77 ALA CA C 402 53.673 53.673 53.950 -0.277 17685 8427 1 17 . 1 1 77 77 ALA CB C 402 19.018 19.018 19.262 -0.244 17685 8428 1 17 . 1 1 77 77 ALA H H 402 7.564 7.564 7.816 -0.252 17685 8429 1 17 . 1 1 78 78 ASN N N 403 113.964 113.964 116.504 -2.540 17685 8430 1 17 . 1 1 78 78 ASN HA H 403 4.841 4.841 4.767 0.074 17685 8431 1 17 . 1 1 78 78 ASN C C 403 174.866 174.866 175.077 -0.211 17685 8432 1 17 . 1 1 78 78 ASN CA C 403 52.485 52.485 53.066 -0.581 17685 8433 1 17 . 1 1 78 78 ASN CB C 403 37.659 37.659 39.252 -1.593 17685 8434 1 17 . 1 1 78 78 ASN H H 403 7.397 7.397 7.850 -0.453 17685 8435 1 17 . 1 1 79 79 ALA N N 404 131.057 131.057 128.019 3.038 17685 8436 1 17 . 1 1 79 79 ALA HA H 404 4.160 4.160 4.381 -0.221 17685 8437 1 17 . 1 1 79 79 ALA C C 404 180.575 180.575 178.438 2.137 17685 8438 1 17 . 1 1 79 79 ALA CA C 404 56.271 56.271 54.575 1.696 17685 8439 1 17 . 1 1 79 79 ALA CB C 404 18.357 18.357 18.966 -0.609 17685 8440 1 17 . 1 1 79 79 ALA H H 404 9.143 9.143 8.786 0.357 17685 8441 1 17 . 1 1 80 80 ALA N N 405 117.862 117.862 118.708 -0.846 17685 8442 1 17 . 1 1 80 80 ALA HA H 405 4.362 4.362 4.260 0.102 17685 8443 1 17 . 1 1 80 80 ALA C C 405 179.218 179.218 177.870 1.348 17685 8444 1 17 . 1 1 80 80 ALA CA C 405 53.931 53.931 52.980 0.951 17685 8445 1 17 . 1 1 80 80 ALA CB C 405 18.226 18.226 19.051 -0.825 17685 8446 1 17 . 1 1 80 80 ALA H H 405 8.315 8.315 7.951 0.364 17685 8447 1 17 . 1 1 81 81 GLY N N 406 106.895 106.895 106.099 0.796 17685 8448 1 17 . 1 1 81 81 GLY C C 406 175.175 175.175 174.048 1.127 17685 8449 1 17 . 1 1 81 81 GLY CA C 406 45.363 45.363 44.190 1.173 17685 8450 1 17 . 1 1 81 81 GLY H H 406 7.908 7.908 7.469 0.439 17685 8451 1 17 . 1 1 82 82 ALA N N 407 120.775 120.775 124.355 -3.580 17685 8452 1 17 . 1 1 82 82 ALA HA H 407 3.971 3.971 4.092 -0.121 17685 8453 1 17 . 1 1 82 82 ALA C C 407 177.879 177.879 178.598 -0.719 17685 8454 1 17 . 1 1 82 82 ALA CA C 407 56.076 56.076 55.187 0.889 17685 8455 1 17 . 1 1 82 82 ALA CB C 407 19.120 19.120 19.033 0.087 17685 8456 1 17 . 1 1 82 82 ALA H H 407 7.574 7.574 7.406 0.168 17685 8457 1 17 . 1 1 83 83 LYS N N 408 117.628 117.628 119.867 -2.239 17685 8458 1 17 . 1 1 83 83 LYS HA H 408 3.352 3.352 3.863 -0.511 17685 8459 1 17 . 1 1 83 83 LYS C C 408 178.064 178.064 177.879 0.185 17685 8460 1 17 . 1 1 83 83 LYS CA C 408 61.404 61.404 59.597 1.807 17685 8461 1 17 . 1 1 83 83 LYS CB C 408 31.311 31.311 31.371 -0.060 17685 8462 1 17 . 1 1 83 83 LYS H H 408 8.755 8.755 8.456 0.299 17685 8463 1 17 . 1 1 84 84 GLU N N 409 116.005 116.005 117.634 -1.629 17685 8464 1 17 . 1 1 84 84 GLU HA H 409 3.994 3.994 4.088 -0.094 17685 8465 1 17 . 1 1 84 84 GLU C C 409 179.508 179.508 178.580 0.928 17685 8466 1 17 . 1 1 84 84 GLU CA C 409 59.300 59.300 59.117 0.183 17685 8467 1 17 . 1 1 84 84 GLU CB C 409 28.978 28.978 28.697 0.281 17685 8468 1 17 . 1 1 84 84 GLU H H 409 7.708 7.708 8.252 -0.544 17685 8469 1 17 . 1 1 85 85 VAL N N 410 120.216 120.216 120.789 -0.573 17685 8470 1 17 . 1 1 85 85 VAL HA H 410 3.786 3.786 3.786 0.000 17685 8471 1 17 . 1 1 85 85 VAL C C 410 179.087 179.087 177.613 1.474 17685 8472 1 17 . 1 1 85 85 VAL CA C 410 66.066 66.066 66.133 -0.067 17685 8473 1 17 . 1 1 85 85 VAL CB C 410 32.060 32.060 31.753 0.307 17685 8474 1 17 . 1 1 85 85 VAL H H 410 7.494 7.494 7.454 0.040 17685 8475 1 17 . 1 1 86 86 LEU N N 411 121.293 121.293 121.683 -0.390 17685 8476 1 17 . 1 1 86 86 LEU HA H 411 3.871 3.871 3.946 -0.075 17685 8477 1 17 . 1 1 86 86 LEU C C 411 178.844 178.844 179.435 -0.591 17685 8478 1 17 . 1 1 86 86 LEU CA C 411 58.100 58.100 57.471 0.629 17685 8479 1 17 . 1 1 86 86 LEU CB C 411 42.047 42.047 40.003 2.044 17685 8480 1 17 . 1 1 86 86 LEU H H 411 8.371 8.371 8.059 0.312 17685 8481 1 17 . 1 1 87 87 LYS N N 412 119.536 119.536 118.376 1.160 17685 8482 1 17 . 1 1 87 87 LYS HA H 412 4.206 4.206 4.176 0.029 17685 8483 1 17 . 1 1 87 87 LYS C C 412 179.347 179.347 179.132 0.215 17685 8484 1 17 . 1 1 87 87 LYS CA C 412 60.924 60.924 60.007 0.917 17685 8485 1 17 . 1 1 87 87 LYS CB C 412 32.216 32.216 32.037 0.179 17685 8486 1 17 . 1 1 87 87 LYS H H 412 8.818 8.818 8.705 0.113 17685 8487 1 17 . 1 1 88 88 GLU N N 413 120.780 120.780 120.315 0.465 17685 8488 1 17 . 1 1 88 88 GLU HA H 413 4.127 4.127 4.035 0.092 17685 8489 1 17 . 1 1 88 88 GLU C C 413 179.469 179.469 178.882 0.587 17685 8490 1 17 . 1 1 88 88 GLU CA C 413 59.720 59.720 59.622 0.098 17685 8491 1 17 . 1 1 88 88 GLU CB C 413 29.021 29.021 29.552 -0.530 17685 8492 1 17 . 1 1 88 88 GLU H H 413 7.882 7.882 7.718 0.164 17685 8493 1 17 . 1 1 89 89 SER N N 414 116.823 116.823 115.445 1.378 17685 8494 1 17 . 1 1 89 89 SER HA H 414 3.765 3.765 4.204 -0.439 17685 8495 1 17 . 1 1 89 89 SER C C 414 176.091 176.091 176.748 -0.657 17685 8496 1 17 . 1 1 89 89 SER CA C 414 63.550 63.550 61.576 1.974 17685 8497 1 17 . 1 1 89 89 SER CB C 414 63.718 63.718 63.077 0.641 17685 8498 1 17 . 1 1 89 89 SER H H 414 8.296 8.296 8.170 0.126 17685 8499 1 17 . 1 1 90 90 ALA N N 415 123.230 123.230 126.008 -2.778 17685 8500 1 17 . 1 1 90 90 ALA HA H 415 3.831 3.831 3.873 -0.042 17685 8501 1 17 . 1 1 90 90 ALA C C 415 177.963 177.963 179.398 -1.435 17685 8502 1 17 . 1 1 90 90 ALA CA C 415 55.415 55.415 55.468 -0.053 17685 8503 1 17 . 1 1 90 90 ALA CB C 415 19.432 19.432 18.353 1.079 17685 8504 1 17 . 1 1 90 90 ALA H H 415 8.805 8.805 8.415 0.390 17685 8505 1 17 . 1 1 91 91 LYS N N 416 117.753 117.753 117.396 0.357 17685 8506 1 17 . 1 1 91 91 LYS HA H 416 3.972 3.972 4.057 -0.085 17685 8507 1 17 . 1 1 91 91 LYS C C 416 178.198 178.198 179.436 -1.238 17685 8508 1 17 . 1 1 91 91 LYS CA C 416 59.817 59.817 58.959 0.858 17685 8509 1 17 . 1 1 91 91 LYS CB C 416 32.247 32.247 31.811 0.436 17685 8510 1 17 . 1 1 91 91 LYS H H 416 8.085 8.085 7.995 0.090 17685 8511 1 17 . 1 1 92 92 THR N N 417 114.597 114.597 117.175 -2.578 17685 8512 1 17 . 1 1 92 92 THR HA H 417 4.075 4.075 4.108 -0.033 17685 8513 1 17 . 1 1 92 92 THR C C 417 177.541 177.541 176.464 1.077 17685 8514 1 17 . 1 1 92 92 THR CA C 417 66.473 66.473 66.565 -0.092 17685 8515 1 17 . 1 1 92 92 THR CB C 417 69.070 69.070 68.485 0.585 17685 8516 1 17 . 1 1 92 92 THR H H 417 7.923 7.923 7.388 0.535 17685 8517 1 17 . 1 1 93 93 ILE N N 418 124.160 124.160 122.473 1.687 17685 8518 1 17 . 1 1 93 93 ILE HA H 418 3.662 3.662 3.608 0.054 17685 8519 1 17 . 1 1 93 93 ILE C C 418 178.114 178.114 177.662 0.452 17685 8520 1 17 . 1 1 93 93 ILE CA C 418 65.626 65.626 65.961 -0.335 17685 8521 1 17 . 1 1 93 93 ILE CB C 418 38.297 38.297 37.551 0.746 17685 8522 1 17 . 1 1 93 93 ILE H H 418 7.984 7.984 8.491 -0.507 17685 8523 1 17 . 1 1 94 94 VAL N N 419 121.566 121.566 119.791 1.775 17685 8524 1 17 . 1 1 94 94 VAL HA H 419 4.156 4.156 4.040 0.116 17685 8525 1 17 . 1 1 94 94 VAL C C 419 181.424 181.424 178.680 2.744 17685 8526 1 17 . 1 1 94 94 VAL CA C 419 65.808 65.808 65.430 0.378 17685 8527 1 17 . 1 1 94 94 VAL CB C 419 31.892 31.892 31.168 0.724 17685 8528 1 17 . 1 1 94 94 VAL H H 419 8.551 8.551 8.070 0.481 17685 8529 1 17 . 1 1 95 95 ASP N N 420 123.788 123.788 120.168 3.620 17685 8530 1 17 . 1 1 95 95 ASP HA H 420 4.477 4.477 4.441 0.036 17685 8531 1 17 . 1 1 95 95 ASP C C 420 178.220 178.220 178.447 -0.227 17685 8532 1 17 . 1 1 95 95 ASP CA C 420 57.548 57.548 56.693 0.855 17685 8533 1 17 . 1 1 95 95 ASP CB C 420 39.850 39.850 41.085 -1.235 17685 8534 1 17 . 1 1 95 95 ASP H H 420 9.354 9.354 7.971 1.383 17685 8535 1 17 . 1 1 96 96 SER N N 421 111.960 111.960 113.050 -1.090 17685 8536 1 17 . 1 1 96 96 SER HA H 421 4.526 4.526 4.505 0.021 17685 8537 1 17 . 1 1 96 96 SER C C 421 175.345 175.345 174.975 0.370 17685 8538 1 17 . 1 1 96 96 SER CA C 421 59.433 59.433 58.681 0.752 17685 8539 1 17 . 1 1 96 96 SER CB C 421 64.264 64.264 63.888 0.376 17685 8540 1 17 . 1 1 96 96 SER H H 421 7.862 7.862 8.265 -0.403 17685 8541 1 17 . 1 1 97 97 GLY N N 422 110.240 110.240 108.355 1.885 17685 8542 1 17 . 1 1 97 97 GLY C C 422 175.158 175.158 175.497 -0.339 17685 8543 1 17 . 1 1 97 97 GLY CA C 422 45.606 45.606 45.907 -0.301 17685 8544 1 17 . 1 1 97 97 GLY H H 422 8.063 8.063 7.293 0.769 17685 8545 1 17 . 1 1 98 98 LYS N N 423 120.213 120.213 119.554 0.659 17685 8546 1 17 . 1 1 98 98 LYS HA H 423 4.083 4.083 4.229 -0.146 17685 8547 1 17 . 1 1 98 98 LYS C C 423 176.681 176.681 177.146 -0.465 17685 8548 1 17 . 1 1 98 98 LYS CA C 423 59.417 59.417 57.613 1.804 17685 8549 1 17 . 1 1 98 98 LYS CB C 423 33.453 33.453 33.132 0.321 17685 8550 1 17 . 1 1 98 98 LYS H H 423 7.992 7.992 8.440 -0.448 17685 8551 1 17 . 1 1 99 99 LEU N N 424 114.357 114.357 118.983 -4.626 17685 8552 1 17 . 1 1 99 99 LEU HA H 424 4.848 4.848 4.821 0.027 17685 8553 1 17 . 1 1 99 99 LEU C C 424 174.161 174.161 174.028 0.133 17685 8554 1 17 . 1 1 99 99 LEU CA C 424 52.225 52.225 51.879 0.346 17685 8555 1 17 . 1 1 99 99 LEU CB C 424 46.075 46.075 44.311 1.764 17685 8556 1 17 . 1 1 99 99 LEU H H 424 6.865 6.865 7.268 -0.403 17685 8557 1 17 . 1 1 100 100 PRO HA H 425 4.650 4.650 4.644 0.006 17685 8558 1 17 . 1 1 100 100 PRO C C 425 177.559 177.559 178.204 -0.645 17685 8559 1 17 . 1 1 100 100 PRO CA C 425 61.643 61.643 62.668 -1.025 17685 8560 1 17 . 1 1 100 100 PRO CB C 425 32.422 32.422 32.266 0.156 17685 8561 1 17 . 1 1 101 101 SER N N 426 117.043 117.043 117.778 -0.735 17685 8562 1 17 . 1 1 101 101 SER HA H 426 3.824 3.824 4.073 -0.249 17685 8563 1 17 . 1 1 101 101 SER C C 426 177.202 177.202 176.345 0.857 17685 8564 1 17 . 1 1 101 101 SER CA C 426 61.708 61.708 61.566 0.142 17685 8565 1 17 . 1 1 101 101 SER CB C 426 62.706 62.706 62.497 0.209 17685 8566 1 17 . 1 1 101 101 SER H H 426 8.999 8.999 8.665 0.334 17685 8567 1 17 . 1 1 102 102 SER N N 427 114.761 114.761 117.334 -2.573 17685 8568 1 17 . 1 1 102 102 SER HA H 427 4.112 4.112 4.256 -0.144 17685 8569 1 17 . 1 1 102 102 SER C C 427 176.526 176.526 175.434 1.092 17685 8570 1 17 . 1 1 102 102 SER CA C 427 60.650 60.650 61.207 -0.557 17685 8571 1 17 . 1 1 102 102 SER CB C 427 62.213 62.213 62.927 -0.714 17685 8572 1 17 . 1 1 102 102 SER H H 427 8.115 8.115 8.357 -0.242 17685 8573 1 17 . 1 1 103 103 LEU N N 428 120.408 120.408 119.050 1.358 17685 8574 1 17 . 1 1 103 103 LEU HA H 428 4.435 4.435 4.316 0.119 17685 8575 1 17 . 1 1 103 103 LEU C C 428 176.698 176.698 176.932 -0.234 17685 8576 1 17 . 1 1 103 103 LEU CA C 428 55.847 55.847 56.401 -0.554 17685 8577 1 17 . 1 1 103 103 LEU CB C 428 42.586 42.586 41.683 0.903 17685 8578 1 17 . 1 1 103 103 LEU H H 428 7.320 7.320 7.900 -0.580 17685 8579 1 17 . 1 1 104 104 LEU N N 429 117.860 117.860 115.585 2.275 17685 8580 1 17 . 1 1 104 104 LEU HA H 429 4.995 4.995 4.772 0.223 17685 8581 1 17 . 1 1 104 104 LEU C C 429 178.320 178.320 177.612 0.708 17685 8582 1 17 . 1 1 104 104 LEU CA C 429 52.672 52.672 53.063 -0.391 17685 8583 1 17 . 1 1 104 104 LEU CB C 429 43.039 43.039 40.723 2.316 17685 8584 1 17 . 1 1 104 104 LEU H H 429 7.325 7.325 7.668 -0.343 17685 8585 1 17 . 1 1 105 105 SER N N 430 112.664 112.664 116.970 -4.306 17685 8586 1 17 . 1 1 105 105 SER HA H 430 4.259 4.259 4.177 0.082 17685 8587 1 17 . 1 1 105 105 SER C C 430 175.288 175.288 175.417 -0.129 17685 8588 1 17 . 1 1 105 105 SER CA C 430 61.247 61.247 61.273 -0.026 17685 8589 1 17 . 1 1 105 105 SER CB C 430 64.058 64.058 62.760 1.298 17685 8590 1 17 . 1 1 105 105 SER H H 430 6.990 6.990 7.502 -0.512 17685 8591 1 17 . 1 1 106 106 TYR N N 431 125.624 125.624 122.312 3.312 17685 8592 1 17 . 1 1 106 106 TYR HA H 431 4.060 4.060 4.207 -0.147 17685 8593 1 17 . 1 1 106 106 TYR C C 431 176.064 176.064 175.662 0.402 17685 8594 1 17 . 1 1 106 106 TYR CA C 431 61.449 61.449 60.100 1.349 17685 8595 1 17 . 1 1 106 106 TYR CB C 431 38.282 38.282 38.664 -0.382 17685 8596 1 17 . 1 1 106 106 TYR H H 431 10.433 10.433 7.908 2.525 17685 8597 1 17 . 1 1 107 107 PHE N N 432 113.203 113.203 112.551 0.652 17685 8598 1 17 . 1 1 107 107 PHE HA H 432 4.314 4.314 4.419 -0.105 17685 8599 1 17 . 1 1 107 107 PHE C C 432 173.901 173.901 175.391 -1.490 17685 8600 1 17 . 1 1 107 107 PHE CA C 432 59.810 59.810 59.510 0.300 17685 8601 1 17 . 1 1 107 107 PHE CB C 432 43.249 43.249 40.144 3.105 17685 8602 1 17 . 1 1 107 107 PHE H H 432 7.955 7.955 8.113 -0.158 17685 8603 1 18 . 1 1 22 22 SER N N 347 116.741 116.741 113.597 3.144 17685 8604 1 18 . 1 1 22 22 SER HA H 347 4.355 4.355 4.995 -0.640 17685 8605 1 18 . 1 1 22 22 SER C C 347 176.272 176.272 174.854 1.418 17685 8606 1 18 . 1 1 22 22 SER CA C 347 59.651 59.651 59.242 0.409 17685 8607 1 18 . 1 1 22 22 SER CB C 347 63.231 63.231 64.046 -0.815 17685 8608 1 18 . 1 1 22 22 SER H H 347 8.311 8.311 8.229 0.082 17685 8609 1 18 . 1 1 23 23 LYS N N 348 124.398 124.398 122.295 2.103 17685 8610 1 18 . 1 1 23 23 LYS HA H 348 4.142 4.142 4.214 -0.072 17685 8611 1 18 . 1 1 23 23 LYS C C 348 178.743 178.743 178.666 0.077 17685 8612 1 18 . 1 1 23 23 LYS CA C 348 59.304 59.304 59.227 0.077 17685 8613 1 18 . 1 1 23 23 LYS CB C 348 32.301 32.301 31.744 0.557 17685 8614 1 18 . 1 1 23 23 LYS H H 348 8.611 8.611 8.327 0.284 17685 8615 1 18 . 1 1 24 24 ALA N N 349 122.494 122.494 121.694 0.800 17685 8616 1 18 . 1 1 24 24 ALA HA H 349 4.137 4.137 4.261 -0.124 17685 8617 1 18 . 1 1 24 24 ALA C C 349 179.869 179.869 179.614 0.255 17685 8618 1 18 . 1 1 24 24 ALA CA C 349 54.811 54.811 54.460 0.351 17685 8619 1 18 . 1 1 24 24 ALA CB C 349 18.284 18.284 18.113 0.172 17685 8620 1 18 . 1 1 24 24 ALA H H 349 8.245 8.245 8.276 -0.031 17685 8621 1 18 . 1 1 25 25 ALA N N 350 121.576 121.576 121.657 -0.081 17685 8622 1 18 . 1 1 25 25 ALA HA H 350 4.136 4.136 4.030 0.106 17685 8623 1 18 . 1 1 25 25 ALA C C 350 178.743 178.743 179.286 -0.543 17685 8624 1 18 . 1 1 25 25 ALA CA C 350 54.632 54.632 54.528 0.104 17685 8625 1 18 . 1 1 25 25 ALA CB C 350 18.299 18.299 18.039 0.260 17685 8626 1 18 . 1 1 25 25 ALA H H 350 8.014 8.014 8.385 -0.371 17685 8627 1 18 . 1 1 26 26 LYS N N 351 119.618 119.618 119.264 0.354 17685 8628 1 18 . 1 1 26 26 LYS HA H 351 4.196 4.196 3.956 0.240 17685 8629 1 18 . 1 1 26 26 LYS C C 351 178.485 178.485 178.527 -0.042 17685 8630 1 18 . 1 1 26 26 LYS CA C 351 60.014 60.014 59.840 0.174 17685 8631 1 18 . 1 1 26 26 LYS CB C 351 32.511 32.511 32.396 0.115 17685 8632 1 18 . 1 1 26 26 LYS H H 351 7.831 7.831 7.923 -0.092 17685 8633 1 18 . 1 1 27 27 LYS N N 352 118.080 118.080 118.379 -0.299 17685 8634 1 18 . 1 1 27 27 LYS HA H 352 3.958 3.958 4.055 -0.097 17685 8635 1 18 . 1 1 27 27 LYS C C 352 179.564 179.564 178.924 0.640 17685 8636 1 18 . 1 1 27 27 LYS CA C 352 60.092 60.092 58.730 1.361 17685 8637 1 18 . 1 1 27 27 LYS CB C 352 32.550 32.550 32.078 0.472 17685 8638 1 18 . 1 1 27 27 LYS H H 352 7.905 7.905 7.530 0.375 17685 8639 1 18 . 1 1 28 28 LYS N N 353 119.878 119.878 119.243 0.635 17685 8640 1 18 . 1 1 28 28 LYS HA H 353 4.023 4.023 3.990 0.033 17685 8641 1 18 . 1 1 28 28 LYS C C 353 179.270 179.270 178.913 0.357 17685 8642 1 18 . 1 1 28 28 LYS CA C 353 59.806 59.806 59.597 0.209 17685 8643 1 18 . 1 1 28 28 LYS CB C 353 32.324 32.324 32.294 0.030 17685 8644 1 18 . 1 1 28 28 LYS H H 353 7.934 7.934 7.572 0.362 17685 8645 1 18 . 1 1 29 29 ASN N N 354 119.780 119.780 118.223 1.557 17685 8646 1 18 . 1 1 29 29 ASN HA H 354 4.557 4.557 4.513 0.044 17685 8647 1 18 . 1 1 29 29 ASN C C 354 177.395 177.395 177.769 -0.374 17685 8648 1 18 . 1 1 29 29 ASN CA C 354 56.167 56.167 55.816 0.351 17685 8649 1 18 . 1 1 29 29 ASN CB C 354 37.928 37.928 38.092 -0.163 17685 8650 1 18 . 1 1 29 29 ASN H H 354 8.524 8.524 8.423 0.101 17685 8651 1 18 . 1 1 30 30 LYS N N 355 118.850 118.850 119.460 -0.610 17685 8652 1 18 . 1 1 30 30 LYS HA H 355 3.820 3.820 3.896 -0.076 17685 8653 1 18 . 1 1 30 30 LYS C C 355 178.266 178.266 178.751 -0.485 17685 8654 1 18 . 1 1 30 30 LYS CA C 355 61.698 61.698 60.166 1.532 17685 8655 1 18 . 1 1 30 30 LYS CB C 355 33.000 33.000 32.257 0.743 17685 8656 1 18 . 1 1 30 30 LYS H H 355 8.599 8.599 8.281 0.318 17685 8657 1 18 . 1 1 31 31 ARG N N 356 118.226 118.226 119.221 -0.995 17685 8658 1 18 . 1 1 31 31 ARG HA H 356 3.940 3.940 4.081 -0.141 17685 8659 1 18 . 1 1 31 31 ARG C C 356 177.676 177.676 177.914 -0.238 17685 8660 1 18 . 1 1 31 31 ARG CA C 356 59.316 59.316 58.952 0.364 17685 8661 1 18 . 1 1 31 31 ARG CB C 356 30.266 30.266 30.065 0.201 17685 8662 1 18 . 1 1 31 31 ARG H H 356 7.809 7.809 7.528 0.281 17685 8663 1 18 . 1 1 32 32 ALA N N 357 120.780 120.780 122.278 -1.498 17685 8664 1 18 . 1 1 32 32 ALA HA H 357 4.104 4.104 4.018 0.086 17685 8665 1 18 . 1 1 32 32 ALA C C 357 181.157 181.157 179.508 1.649 17685 8666 1 18 . 1 1 32 32 ALA CA C 357 55.118 55.118 54.968 0.150 17685 8667 1 18 . 1 1 32 32 ALA CB C 357 18.064 18.064 18.550 -0.486 17685 8668 1 18 . 1 1 32 32 ALA H H 357 8.155 8.155 7.758 0.397 17685 8669 1 18 . 1 1 33 33 ILE N N 358 116.468 116.468 117.043 -0.575 17685 8670 1 18 . 1 1 33 33 ILE HA H 358 3.590 3.590 3.629 -0.039 17685 8671 1 18 . 1 1 33 33 ILE C C 358 179.458 179.458 177.916 1.542 17685 8672 1 18 . 1 1 33 33 ILE CA C 358 65.775 65.775 64.835 0.940 17685 8673 1 18 . 1 1 33 33 ILE CB C 358 38.592 38.592 37.818 0.774 17685 8674 1 18 . 1 1 33 33 ILE H H 358 7.929 7.929 8.341 -0.412 17685 8675 1 18 . 1 1 34 34 ARG N N 359 119.937 119.937 119.824 0.113 17685 8676 1 18 . 1 1 34 34 ARG HA H 359 3.998 3.998 4.020 -0.022 17685 8677 1 18 . 1 1 34 34 ARG C C 359 179.124 179.124 178.936 0.188 17685 8678 1 18 . 1 1 34 34 ARG CA C 359 60.029 60.029 59.612 0.417 17685 8679 1 18 . 1 1 34 34 ARG CB C 359 30.576 30.576 29.776 0.800 17685 8680 1 18 . 1 1 34 34 ARG H H 359 8.672 8.672 7.479 1.193 17685 8681 1 18 . 1 1 35 35 ASN N N 360 116.359 116.359 117.866 -1.507 17685 8682 1 18 . 1 1 35 35 ASN HA H 360 4.575 4.575 4.461 0.114 17685 8683 1 18 . 1 1 35 35 ASN C C 360 175.723 175.723 176.645 -0.922 17685 8684 1 18 . 1 1 35 35 ASN CA C 360 54.215 54.215 55.344 -1.129 17685 8685 1 18 . 1 1 35 35 ASN CB C 360 38.575 38.575 37.799 0.776 17685 8686 1 18 . 1 1 35 35 ASN H H 360 8.454 8.454 7.986 0.468 17685 8687 1 18 . 1 1 36 36 SER N N 361 115.734 115.734 116.581 -0.847 17685 8688 1 18 . 1 1 36 36 SER HA H 361 3.995 3.995 4.120 -0.125 17685 8689 1 18 . 1 1 36 36 SER C C 361 176.129 176.129 175.952 0.177 17685 8690 1 18 . 1 1 36 36 SER CA C 361 62.349 62.349 62.188 0.161 17685 8691 1 18 . 1 1 36 36 SER CB C 361 63.664 63.664 62.767 0.897 17685 8692 1 18 . 1 1 36 36 SER H H 361 7.617 7.617 7.674 -0.057 17685 8693 1 18 . 1 1 37 37 ALA N N 362 124.421 124.421 123.600 0.821 17685 8694 1 18 . 1 1 37 37 ALA HA H 362 3.770 3.770 3.830 -0.060 17685 8695 1 18 . 1 1 37 37 ALA C C 362 178.482 178.482 177.793 0.689 17685 8696 1 18 . 1 1 37 37 ALA CA C 362 54.821 54.821 54.270 0.551 17685 8697 1 18 . 1 1 37 37 ALA CB C 362 18.347 18.347 18.320 0.027 17685 8698 1 18 . 1 1 37 37 ALA H H 362 6.868 6.868 7.590 -0.722 17685 8699 1 18 . 1 1 38 38 LYS N N 363 122.319 122.319 116.561 5.758 17685 8700 1 18 . 1 1 38 38 LYS HA H 363 2.913 2.913 3.825 -0.912 17685 8701 1 18 . 1 1 38 38 LYS C C 363 180.669 180.669 179.230 1.439 17685 8702 1 18 . 1 1 38 38 LYS CA C 363 59.567 59.567 58.867 0.700 17685 8703 1 18 . 1 1 38 38 LYS CB C 363 31.563 31.563 32.428 -0.866 17685 8704 1 18 . 1 1 38 38 LYS H H 363 8.317 8.317 7.237 1.080 17685 8705 1 18 . 1 1 39 39 GLU N N 364 118.666 118.666 118.552 0.114 17685 8706 1 18 . 1 1 39 39 GLU HA H 364 4.015 4.015 4.176 -0.161 17685 8707 1 18 . 1 1 39 39 GLU C C 364 176.609 176.609 177.948 -1.339 17685 8708 1 18 . 1 1 39 39 GLU CA C 364 58.674 58.674 58.446 0.228 17685 8709 1 18 . 1 1 39 39 GLU CB C 364 29.058 29.058 29.893 -0.835 17685 8710 1 18 . 1 1 39 39 GLU H H 364 7.935 7.935 8.128 -0.193 17685 8711 1 18 . 1 1 40 40 ALA N N 365 121.145 121.145 119.678 1.467 17685 8712 1 18 . 1 1 40 40 ALA HA H 365 4.663 4.663 4.403 0.260 17685 8713 1 18 . 1 1 40 40 ALA C C 365 177.688 177.688 175.547 2.141 17685 8714 1 18 . 1 1 40 40 ALA CA C 365 50.931 50.931 51.424 -0.493 17685 8715 1 18 . 1 1 40 40 ALA CB C 365 18.566 18.566 19.416 -0.850 17685 8716 1 18 . 1 1 40 40 ALA H H 365 7.049 7.049 7.917 -0.868 17685 8717 1 18 . 1 1 41 41 ASP N N 366 121.103 121.103 115.920 5.183 17685 8718 1 18 . 1 1 41 41 ASP HA H 366 4.338 4.338 4.204 0.134 17685 8719 1 18 . 1 1 41 41 ASP C C 366 175.644 175.644 175.472 0.172 17685 8720 1 18 . 1 1 41 41 ASP CA C 366 55.898 55.898 55.078 0.820 17685 8721 1 18 . 1 1 41 41 ASP CB C 366 39.353 39.353 40.208 -0.855 17685 8722 1 18 . 1 1 41 41 ASP H H 366 8.099 8.099 7.047 1.052 17685 8723 1 18 . 1 1 42 42 TYR N N 367 110.700 110.700 119.497 -8.797 17685 8724 1 18 . 1 1 42 42 TYR HA H 367 2.485 2.485 4.127 -1.642 17685 8725 1 18 . 1 1 42 42 TYR C C 367 174.307 174.307 176.868 -2.561 17685 8726 1 18 . 1 1 42 42 TYR CA C 367 61.064 61.064 59.237 1.827 17685 8727 1 18 . 1 1 42 42 TYR CB C 367 34.242 34.242 38.465 -4.223 17685 8728 1 18 . 1 1 42 42 TYR H H 367 8.364 8.364 8.802 -0.438 17685 8729 1 18 . 1 1 43 43 PHE N N 368 111.305 111.305 116.719 -5.414 17685 8730 1 18 . 1 1 43 43 PHE HA H 368 4.666 4.666 4.193 0.473 17685 8731 1 18 . 1 1 43 43 PHE C C 368 177.162 177.162 176.286 0.876 17685 8732 1 18 . 1 1 43 43 PHE CA C 368 56.561 56.561 58.726 -2.165 17685 8733 1 18 . 1 1 43 43 PHE CB C 368 36.514 36.514 36.753 -0.239 17685 8734 1 18 . 1 1 43 43 PHE H H 368 7.666 7.666 7.963 -0.297 17685 8735 1 18 . 1 1 44 44 GLY N N 369 106.300 106.300 105.147 1.153 17685 8736 1 18 . 1 1 44 44 GLY C C 369 174.446 174.446 175.130 -0.684 17685 8737 1 18 . 1 1 44 44 GLY CA C 369 45.780 45.780 45.193 0.587 17685 8738 1 18 . 1 1 44 44 GLY H H 369 7.671 7.671 8.550 -0.879 17685 8739 1 18 . 1 1 45 45 ASP N N 370 122.876 122.876 121.147 1.729 17685 8740 1 18 . 1 1 45 45 ASP HA H 370 5.323 5.323 4.978 0.345 17685 8741 1 18 . 1 1 45 45 ASP C C 370 176.360 176.360 176.834 -0.474 17685 8742 1 18 . 1 1 45 45 ASP CA C 370 53.322 53.322 53.084 0.238 17685 8743 1 18 . 1 1 45 45 ASP CB C 370 41.391 41.391 41.083 0.308 17685 8744 1 18 . 1 1 45 45 ASP H H 370 8.331 8.331 8.196 0.135 17685 8745 1 18 . 1 1 46 46 ALA N N 371 121.771 121.771 122.855 -1.084 17685 8746 1 18 . 1 1 46 46 ALA HA H 371 3.600 3.600 3.871 -0.271 17685 8747 1 18 . 1 1 46 46 ALA C C 371 179.111 179.111 178.901 0.210 17685 8748 1 18 . 1 1 46 46 ALA CA C 371 56.038 56.038 54.680 1.358 17685 8749 1 18 . 1 1 46 46 ALA CB C 371 17.942 17.942 18.292 -0.350 17685 8750 1 18 . 1 1 46 46 ALA H H 371 8.282 8.282 8.146 0.136 17685 8751 1 18 . 1 1 47 47 ASP N N 372 116.273 116.273 115.168 1.105 17685 8752 1 18 . 1 1 47 47 ASP HA H 372 4.359 4.359 4.528 -0.169 17685 8753 1 18 . 1 1 47 47 ASP C C 372 177.019 177.019 176.483 0.536 17685 8754 1 18 . 1 1 47 47 ASP CA C 372 55.832 55.832 55.431 0.401 17685 8755 1 18 . 1 1 47 47 ASP CB C 372 39.190 39.190 40.501 -1.311 17685 8756 1 18 . 1 1 47 47 ASP H H 372 9.068 9.068 8.673 0.395 17685 8757 1 18 . 1 1 48 48 LYS N N 373 120.180 120.180 118.944 1.236 17685 8758 1 18 . 1 1 48 48 LYS HA H 373 4.723 4.723 4.543 0.180 17685 8759 1 18 . 1 1 48 48 LYS C C 373 175.542 175.542 176.375 -0.833 17685 8760 1 18 . 1 1 48 48 LYS CA C 373 54.787 54.787 55.233 -0.446 17685 8761 1 18 . 1 1 48 48 LYS CB C 373 32.179 32.179 32.759 -0.580 17685 8762 1 18 . 1 1 48 48 LYS H H 373 8.050 8.050 7.844 0.206 17685 8763 1 18 . 1 1 49 49 ALA N N 374 122.498 122.498 123.072 -0.574 17685 8764 1 18 . 1 1 49 49 ALA HA H 374 3.068 3.068 4.150 -1.082 17685 8765 1 18 . 1 1 49 49 ALA C C 374 177.781 177.781 179.266 -1.485 17685 8766 1 18 . 1 1 49 49 ALA CA C 374 56.962 56.962 56.462 0.500 17685 8767 1 18 . 1 1 49 49 ALA CB C 374 17.855 17.855 18.218 -0.363 17685 8768 1 18 . 1 1 49 49 ALA H H 374 7.045 7.045 7.415 -0.370 17685 8769 1 18 . 1 1 50 50 THR N N 375 108.573 108.573 112.660 -4.087 17685 8770 1 18 . 1 1 50 50 THR HA H 375 4.044 4.044 3.977 0.067 17685 8771 1 18 . 1 1 50 50 THR C C 375 177.647 177.647 176.563 1.084 17685 8772 1 18 . 1 1 50 50 THR CA C 375 66.201 66.201 67.505 -1.304 17685 8773 1 18 . 1 1 50 50 THR CB C 375 68.334 68.334 68.113 0.221 17685 8774 1 18 . 1 1 50 50 THR H H 375 8.285 8.285 8.479 -0.194 17685 8775 1 18 . 1 1 51 51 THR N N 376 120.018 120.018 119.026 0.992 17685 8776 1 18 . 1 1 51 51 THR HA H 376 4.147 4.147 4.062 0.085 17685 8777 1 18 . 1 1 51 51 THR C C 376 175.499 175.499 176.390 -0.891 17685 8778 1 18 . 1 1 51 51 THR CA C 376 66.145 66.145 66.531 -0.386 17685 8779 1 18 . 1 1 51 51 THR CB C 376 69.382 69.382 68.381 1.001 17685 8780 1 18 . 1 1 51 51 THR H H 376 7.359 7.359 7.345 0.014 17685 8781 1 18 . 1 1 52 52 ILE N N 377 122.319 122.319 122.838 -0.519 17685 8782 1 18 . 1 1 52 52 ILE HA H 377 3.168 3.168 3.363 -0.195 17685 8783 1 18 . 1 1 52 52 ILE C C 377 177.879 177.879 177.497 0.382 17685 8784 1 18 . 1 1 52 52 ILE CA C 377 67.070 67.070 65.825 1.245 17685 8785 1 18 . 1 1 52 52 ILE CB C 377 38.257 38.257 37.531 0.726 17685 8786 1 18 . 1 1 52 52 ILE H H 377 8.346 8.346 8.416 -0.070 17685 8787 1 18 . 1 1 53 53 ASP N N 378 117.696 117.696 119.711 -2.015 17685 8788 1 18 . 1 1 53 53 ASP HA H 378 4.739 4.739 4.355 0.384 17685 8789 1 18 . 1 1 53 53 ASP C C 378 180.094 180.094 178.974 1.120 17685 8790 1 18 . 1 1 53 53 ASP CA C 378 58.044 58.044 58.285 -0.241 17685 8791 1 18 . 1 1 53 53 ASP CB C 378 39.648 39.648 40.377 -0.729 17685 8792 1 18 . 1 1 53 53 ASP H H 378 8.991 8.991 8.654 0.337 17685 8793 1 18 . 1 1 54 54 GLU N N 379 121.956 121.956 119.714 2.242 17685 8794 1 18 . 1 1 54 54 GLU HA H 379 4.174 4.174 4.164 0.010 17685 8795 1 18 . 1 1 54 54 GLU C C 379 179.679 179.679 178.961 0.718 17685 8796 1 18 . 1 1 54 54 GLU CA C 379 59.572 59.572 59.152 0.420 17685 8797 1 18 . 1 1 54 54 GLU CB C 379 29.324 29.324 29.490 -0.166 17685 8798 1 18 . 1 1 54 54 GLU H H 379 7.946 7.946 7.603 0.343 17685 8799 1 18 . 1 1 55 55 GLN N N 380 120.733 120.733 119.272 1.461 17685 8800 1 18 . 1 1 55 55 GLN HA H 380 4.171 4.171 4.151 0.020 17685 8801 1 18 . 1 1 55 55 GLN C C 380 178.288 178.288 178.820 -0.532 17685 8802 1 18 . 1 1 55 55 GLN CA C 380 59.994 59.994 58.759 1.235 17685 8803 1 18 . 1 1 55 55 GLN CB C 380 29.566 29.566 28.864 0.702 17685 8804 1 18 . 1 1 55 55 GLN H H 380 8.357 8.357 8.355 0.002 17685 8805 1 18 . 1 1 56 56 VAL N N 381 120.353 120.353 118.142 2.211 17685 8806 1 18 . 1 1 56 56 VAL HA H 381 3.536 3.536 3.711 -0.175 17685 8807 1 18 . 1 1 56 56 VAL C C 381 178.220 178.220 178.342 -0.122 17685 8808 1 18 . 1 1 56 56 VAL CA C 381 67.557 67.557 66.016 1.541 17685 8809 1 18 . 1 1 56 56 VAL CB C 381 31.349 31.349 30.576 0.773 17685 8810 1 18 . 1 1 56 56 VAL H H 381 9.484 9.484 8.664 0.820 17685 8811 1 18 . 1 1 57 57 GLY N N 382 106.926 106.926 108.318 -1.392 17685 8812 1 18 . 1 1 57 57 GLY C C 382 174.843 174.843 176.386 -1.543 17685 8813 1 18 . 1 1 57 57 GLY CA C 382 47.694 47.694 47.317 0.377 17685 8814 1 18 . 1 1 57 57 GLY H H 382 8.169 8.169 7.974 0.195 17685 8815 1 18 . 1 1 58 58 LEU N N 383 120.610 120.610 122.517 -1.907 17685 8816 1 18 . 1 1 58 58 LEU HA H 383 4.151 4.151 3.986 0.165 17685 8817 1 18 . 1 1 58 58 LEU C C 383 180.087 180.087 178.942 1.145 17685 8818 1 18 . 1 1 58 58 LEU CA C 383 57.974 57.974 57.527 0.447 17685 8819 1 18 . 1 1 58 58 LEU CB C 383 42.125 42.125 41.801 0.324 17685 8820 1 18 . 1 1 58 58 LEU H H 383 7.568 7.568 7.894 -0.326 17685 8821 1 18 . 1 1 59 59 ILE N N 384 120.213 120.213 119.429 0.784 17685 8822 1 18 . 1 1 59 59 ILE HA H 384 3.416 3.416 3.589 -0.173 17685 8823 1 18 . 1 1 59 59 ILE C C 384 178.310 178.310 178.010 0.300 17685 8824 1 18 . 1 1 59 59 ILE CA C 384 66.069 66.069 65.596 0.473 17685 8825 1 18 . 1 1 59 59 ILE CB C 384 38.233 38.233 37.747 0.486 17685 8826 1 18 . 1 1 59 59 ILE H H 384 8.057 8.057 7.652 0.405 17685 8827 1 18 . 1 1 60 60 VAL N N 385 115.546 115.546 114.583 0.963 17685 8828 1 18 . 1 1 60 60 VAL HA H 385 3.560 3.560 3.680 -0.120 17685 8829 1 18 . 1 1 60 60 VAL C C 385 177.921 177.921 176.668 1.253 17685 8830 1 18 . 1 1 60 60 VAL CA C 385 66.702 66.702 65.361 1.341 17685 8831 1 18 . 1 1 60 60 VAL CB C 385 31.565 31.565 31.751 -0.186 17685 8832 1 18 . 1 1 60 60 VAL H H 385 8.672 8.672 8.258 0.414 17685 8833 1 18 . 1 1 61 61 ASP N N 386 117.831 117.831 118.287 -0.456 17685 8834 1 18 . 1 1 61 61 ASP HA H 386 4.571 4.571 4.518 0.053 17685 8835 1 18 . 1 1 61 61 ASP C C 386 177.238 177.238 178.275 -1.037 17685 8836 1 18 . 1 1 61 61 ASP CA C 386 56.184 56.184 56.197 -0.013 17685 8837 1 18 . 1 1 61 61 ASP CB C 386 40.632 40.632 41.805 -1.173 17685 8838 1 18 . 1 1 61 61 ASP H H 386 7.988 7.988 7.955 0.033 17685 8839 1 18 . 1 1 62 62 SER N N 387 114.761 114.761 115.317 -0.556 17685 8840 1 18 . 1 1 62 62 SER HA H 387 4.577 4.577 4.313 0.264 17685 8841 1 18 . 1 1 62 62 SER C C 387 173.645 173.645 175.186 -1.541 17685 8842 1 18 . 1 1 62 62 SER CA C 387 59.694 59.694 59.971 -0.277 17685 8843 1 18 . 1 1 62 62 SER CB C 387 64.588 64.588 63.475 1.113 17685 8844 1 18 . 1 1 62 62 SER H H 387 7.755 7.755 7.832 -0.077 17685 8845 1 18 . 1 1 63 63 LEU N N 388 121.610 121.610 120.987 0.623 17685 8846 1 18 . 1 1 63 63 LEU HA H 388 4.506 4.506 4.263 0.243 17685 8847 1 18 . 1 1 63 63 LEU C C 388 177.071 177.071 174.975 2.096 17685 8848 1 18 . 1 1 63 63 LEU CA C 388 54.490 54.490 54.603 -0.113 17685 8849 1 18 . 1 1 63 63 LEU CB C 388 42.414 42.414 42.821 -0.407 17685 8850 1 18 . 1 1 63 63 LEU H H 388 7.083 7.083 7.410 -0.327 17685 8851 1 18 . 1 1 64 64 ASN N N 389 122.154 122.154 117.479 4.675 17685 8852 1 18 . 1 1 64 64 ASN HA H 389 4.748 4.748 4.647 0.101 17685 8853 1 18 . 1 1 64 64 ASN C C 389 175.144 175.144 176.306 -1.162 17685 8854 1 18 . 1 1 64 64 ASN CA C 389 51.898 51.898 51.865 0.033 17685 8855 1 18 . 1 1 64 64 ASN CB C 389 37.762 37.762 39.580 -1.818 17685 8856 1 18 . 1 1 64 64 ASN H H 389 9.587 9.587 8.058 1.529 17685 8857 1 18 . 1 1 65 65 ASP N N 390 116.882 116.882 117.912 -1.030 17685 8858 1 18 . 1 1 65 65 ASP HA H 390 4.288 4.288 4.238 0.050 17685 8859 1 18 . 1 1 65 65 ASP C C 390 178.601 178.601 177.879 0.722 17685 8860 1 18 . 1 1 65 65 ASP CA C 390 58.992 58.992 58.001 0.991 17685 8861 1 18 . 1 1 65 65 ASP CB C 390 40.168 40.168 40.531 -0.363 17685 8862 1 18 . 1 1 65 65 ASP H H 390 8.504 8.504 8.919 -0.415 17685 8863 1 18 . 1 1 66 66 GLU N N 391 119.807 119.807 120.386 -0.579 17685 8864 1 18 . 1 1 66 66 GLU HA H 391 4.048 4.048 4.080 -0.032 17685 8865 1 18 . 1 1 66 66 GLU C C 391 179.549 179.549 178.916 0.633 17685 8866 1 18 . 1 1 66 66 GLU CA C 391 59.943 59.943 58.760 1.183 17685 8867 1 18 . 1 1 66 66 GLU CB C 391 29.119 29.119 29.549 -0.430 17685 8868 1 18 . 1 1 66 66 GLU H H 391 8.318 8.318 7.812 0.506 17685 8869 1 18 . 1 1 67 67 GLU N N 392 121.747 121.747 119.975 1.772 17685 8870 1 18 . 1 1 67 67 GLU HA H 392 4.151 4.151 4.072 0.079 17685 8871 1 18 . 1 1 67 67 GLU C C 392 180.544 180.544 179.238 1.306 17685 8872 1 18 . 1 1 67 67 GLU CA C 392 58.307 58.307 59.007 -0.700 17685 8873 1 18 . 1 1 67 67 GLU CB C 392 30.933 30.933 29.389 1.544 17685 8874 1 18 . 1 1 67 67 GLU H H 392 8.709 8.709 9.105 -0.396 17685 8875 1 18 . 1 1 68 68 LEU N N 393 123.523 123.523 120.501 3.022 17685 8876 1 18 . 1 1 68 68 LEU HA H 393 3.923 3.923 4.075 -0.152 17685 8877 1 18 . 1 1 68 68 LEU C C 393 178.151 178.151 179.563 -1.412 17685 8878 1 18 . 1 1 68 68 LEU CA C 393 58.642 58.642 57.898 0.744 17685 8879 1 18 . 1 1 68 68 LEU CB C 393 42.304 42.304 41.579 0.725 17685 8880 1 18 . 1 1 68 68 LEU H H 393 8.930 8.930 8.663 0.267 17685 8881 1 18 . 1 1 69 69 VAL N N 394 118.071 118.071 118.421 -0.350 17685 8882 1 18 . 1 1 69 69 VAL HA H 394 3.527 3.527 3.731 -0.204 17685 8883 1 18 . 1 1 69 69 VAL C C 394 177.701 177.701 177.821 -0.120 17685 8884 1 18 . 1 1 69 69 VAL CA C 394 66.494 66.494 65.695 0.798 17685 8885 1 18 . 1 1 69 69 VAL CB C 394 32.103 32.103 30.897 1.206 17685 8886 1 18 . 1 1 69 69 VAL H H 394 7.304 7.304 7.657 -0.353 17685 8887 1 18 . 1 1 70 70 SER N N 395 112.686 112.686 115.750 -3.064 17685 8888 1 18 . 1 1 70 70 SER HA H 395 4.238 4.238 4.220 0.018 17685 8889 1 18 . 1 1 70 70 SER C C 395 177.618 177.618 176.770 0.848 17685 8890 1 18 . 1 1 70 70 SER CA C 395 61.410 61.410 61.912 -0.502 17685 8891 1 18 . 1 1 70 70 SER CB C 395 63.002 63.002 62.920 0.082 17685 8892 1 18 . 1 1 70 70 SER H H 395 7.906 7.906 7.849 0.057 17685 8893 1 18 . 1 1 71 71 THR N N 396 118.003 118.003 115.215 2.788 17685 8894 1 18 . 1 1 71 71 THR HA H 396 3.767 3.767 3.928 -0.161 17685 8895 1 18 . 1 1 71 71 THR C C 396 175.404 175.404 176.581 -1.177 17685 8896 1 18 . 1 1 71 71 THR CA C 396 67.763 67.763 65.599 2.164 17685 8897 1 18 . 1 1 71 71 THR CB C 396 68.498 68.498 68.688 -0.190 17685 8898 1 18 . 1 1 71 71 THR H H 396 8.511 8.511 8.250 0.261 17685 8899 1 18 . 1 1 72 72 ALA N N 397 123.373 123.373 124.566 -1.193 17685 8900 1 18 . 1 1 72 72 ALA HA H 397 3.857 3.857 3.898 -0.041 17685 8901 1 18 . 1 1 72 72 ALA C C 397 180.173 180.173 179.037 1.136 17685 8902 1 18 . 1 1 72 72 ALA CA C 397 56.079 56.079 55.159 0.920 17685 8903 1 18 . 1 1 72 72 ALA CB C 397 17.767 17.767 18.251 -0.484 17685 8904 1 18 . 1 1 72 72 ALA H H 397 8.268 8.268 8.300 -0.032 17685 8905 1 18 . 1 1 73 73 ASP N N 398 118.963 118.963 117.949 1.014 17685 8906 1 18 . 1 1 73 73 ASP HA H 398 4.382 4.382 4.333 0.049 17685 8907 1 18 . 1 1 73 73 ASP C C 398 179.471 179.471 178.699 0.772 17685 8908 1 18 . 1 1 73 73 ASP CA C 398 57.692 57.692 57.438 0.254 17685 8909 1 18 . 1 1 73 73 ASP CB C 398 40.015 40.015 40.934 -0.919 17685 8910 1 18 . 1 1 73 73 ASP H H 398 8.585 8.585 8.351 0.234 17685 8911 1 18 . 1 1 74 74 LYS N N 399 120.591 120.591 118.310 2.281 17685 8912 1 18 . 1 1 74 74 LYS HA H 399 4.050 4.050 4.065 -0.015 17685 8913 1 18 . 1 1 74 74 LYS C C 399 180.082 180.082 178.908 1.174 17685 8914 1 18 . 1 1 74 74 LYS CA C 399 60.001 60.001 58.474 1.527 17685 8915 1 18 . 1 1 74 74 LYS CB C 399 34.080 34.080 32.077 2.003 17685 8916 1 18 . 1 1 74 74 LYS H H 399 8.003 8.003 7.480 0.523 17685 8917 1 18 . 1 1 75 75 ILE N N 400 120.602 120.602 119.627 0.975 17685 8918 1 18 . 1 1 75 75 ILE HA H 400 3.687 3.687 3.991 -0.304 17685 8919 1 18 . 1 1 75 75 ILE C C 400 177.770 177.770 178.060 -0.290 17685 8920 1 18 . 1 1 75 75 ILE CA C 400 64.860 64.860 64.669 0.191 17685 8921 1 18 . 1 1 75 75 ILE CB C 400 38.253 38.253 37.662 0.591 17685 8922 1 18 . 1 1 75 75 ILE H H 400 7.877 7.877 7.829 0.048 17685 8923 1 18 . 1 1 76 76 LYS N N 401 120.036 120.036 119.099 0.937 17685 8924 1 18 . 1 1 76 76 LYS HA H 401 4.032 4.032 4.093 -0.061 17685 8925 1 18 . 1 1 76 76 LYS C C 401 178.423 178.423 178.533 -0.110 17685 8926 1 18 . 1 1 76 76 LYS CA C 401 58.735 58.735 58.563 0.172 17685 8927 1 18 . 1 1 76 76 LYS CB C 401 32.325 32.325 31.633 0.692 17685 8928 1 18 . 1 1 76 76 LYS H H 401 8.260 8.260 7.661 0.599 17685 8929 1 18 . 1 1 77 77 ALA N N 402 118.655 118.655 120.849 -2.194 17685 8930 1 18 . 1 1 77 77 ALA HA H 402 4.205 4.205 4.258 -0.053 17685 8931 1 18 . 1 1 77 77 ALA C C 402 177.949 177.949 178.368 -0.419 17685 8932 1 18 . 1 1 77 77 ALA CA C 402 53.673 53.673 53.812 -0.139 17685 8933 1 18 . 1 1 77 77 ALA CB C 402 19.018 19.018 19.393 -0.375 17685 8934 1 18 . 1 1 77 77 ALA H H 402 7.564 7.564 7.468 0.096 17685 8935 1 18 . 1 1 78 78 ASN N N 403 113.964 113.964 117.035 -3.071 17685 8936 1 18 . 1 1 78 78 ASN HA H 403 4.841 4.841 4.945 -0.104 17685 8937 1 18 . 1 1 78 78 ASN C C 403 174.866 174.866 174.375 0.491 17685 8938 1 18 . 1 1 78 78 ASN CA C 403 52.485 52.485 52.424 0.061 17685 8939 1 18 . 1 1 78 78 ASN CB C 403 37.659 37.659 39.293 -1.634 17685 8940 1 18 . 1 1 78 78 ASN H H 403 7.397 7.397 8.144 -0.747 17685 8941 1 18 . 1 1 79 79 ALA N N 404 131.057 131.057 125.525 5.532 17685 8942 1 18 . 1 1 79 79 ALA HA H 404 4.160 4.160 4.311 -0.151 17685 8943 1 18 . 1 1 79 79 ALA C C 404 180.575 180.575 178.438 2.137 17685 8944 1 18 . 1 1 79 79 ALA CA C 404 56.271 56.271 54.922 1.349 17685 8945 1 18 . 1 1 79 79 ALA CB C 404 18.357 18.357 19.172 -0.815 17685 8946 1 18 . 1 1 79 79 ALA H H 404 9.143 9.143 8.377 0.766 17685 8947 1 18 . 1 1 80 80 ALA N N 405 117.862 117.862 120.065 -2.203 17685 8948 1 18 . 1 1 80 80 ALA HA H 405 4.362 4.362 4.249 0.113 17685 8949 1 18 . 1 1 80 80 ALA C C 405 179.218 179.218 178.074 1.144 17685 8950 1 18 . 1 1 80 80 ALA CA C 405 53.931 53.931 53.206 0.725 17685 8951 1 18 . 1 1 80 80 ALA CB C 405 18.226 18.226 18.692 -0.466 17685 8952 1 18 . 1 1 80 80 ALA H H 405 8.315 8.315 8.275 0.040 17685 8953 1 18 . 1 1 81 81 GLY N N 406 106.895 106.895 105.293 1.602 17685 8954 1 18 . 1 1 81 81 GLY C C 406 175.175 175.175 174.724 0.451 17685 8955 1 18 . 1 1 81 81 GLY CA C 406 45.363 45.363 43.795 1.568 17685 8956 1 18 . 1 1 81 81 GLY H H 406 7.908 7.908 8.211 -0.303 17685 8957 1 18 . 1 1 82 82 ALA N N 407 120.775 120.775 123.526 -2.751 17685 8958 1 18 . 1 1 82 82 ALA HA H 407 3.971 3.971 4.170 -0.199 17685 8959 1 18 . 1 1 82 82 ALA C C 407 177.879 177.879 179.045 -1.166 17685 8960 1 18 . 1 1 82 82 ALA CA C 407 56.076 56.076 54.904 1.172 17685 8961 1 18 . 1 1 82 82 ALA CB C 407 19.120 19.120 19.019 0.101 17685 8962 1 18 . 1 1 82 82 ALA H H 407 7.574 7.574 7.363 0.211 17685 8963 1 18 . 1 1 83 83 LYS N N 408 117.628 117.628 117.379 0.249 17685 8964 1 18 . 1 1 83 83 LYS HA H 408 3.352 3.352 3.967 -0.615 17685 8965 1 18 . 1 1 83 83 LYS C C 408 178.064 178.064 178.401 -0.337 17685 8966 1 18 . 1 1 83 83 LYS CA C 408 61.404 61.404 60.000 1.404 17685 8967 1 18 . 1 1 83 83 LYS CB C 408 31.311 31.311 32.042 -0.731 17685 8968 1 18 . 1 1 83 83 LYS H H 408 8.755 8.755 8.556 0.199 17685 8969 1 18 . 1 1 84 84 GLU N N 409 116.005 116.005 119.829 -3.824 17685 8970 1 18 . 1 1 84 84 GLU HA H 409 3.994 3.994 4.114 -0.120 17685 8971 1 18 . 1 1 84 84 GLU C C 409 179.508 179.508 178.646 0.862 17685 8972 1 18 . 1 1 84 84 GLU CA C 409 59.300 59.300 59.119 0.181 17685 8973 1 18 . 1 1 84 84 GLU CB C 409 28.978 28.978 28.432 0.546 17685 8974 1 18 . 1 1 84 84 GLU H H 409 7.708 7.708 7.633 0.075 17685 8975 1 18 . 1 1 85 85 VAL N N 410 120.216 120.216 120.453 -0.237 17685 8976 1 18 . 1 1 85 85 VAL HA H 410 3.786 3.786 3.775 0.011 17685 8977 1 18 . 1 1 85 85 VAL C C 410 179.087 179.087 177.882 1.205 17685 8978 1 18 . 1 1 85 85 VAL CA C 410 66.066 66.066 66.232 -0.166 17685 8979 1 18 . 1 1 85 85 VAL CB C 410 32.060 32.060 31.724 0.336 17685 8980 1 18 . 1 1 85 85 VAL H H 410 7.494 7.494 7.392 0.102 17685 8981 1 18 . 1 1 86 86 LEU N N 411 121.293 121.293 121.174 0.119 17685 8982 1 18 . 1 1 86 86 LEU HA H 411 3.871 3.871 3.974 -0.103 17685 8983 1 18 . 1 1 86 86 LEU C C 411 178.844 178.844 179.391 -0.547 17685 8984 1 18 . 1 1 86 86 LEU CA C 411 58.100 58.100 57.894 0.206 17685 8985 1 18 . 1 1 86 86 LEU CB C 411 42.047 42.047 40.576 1.471 17685 8986 1 18 . 1 1 86 86 LEU H H 411 8.371 8.371 8.141 0.230 17685 8987 1 18 . 1 1 87 87 LYS N N 412 119.536 119.536 118.229 1.307 17685 8988 1 18 . 1 1 87 87 LYS HA H 412 4.206 4.206 4.223 -0.017 17685 8989 1 18 . 1 1 87 87 LYS C C 412 179.347 179.347 179.117 0.230 17685 8990 1 18 . 1 1 87 87 LYS CA C 412 60.924 60.924 59.712 1.212 17685 8991 1 18 . 1 1 87 87 LYS CB C 412 32.216 32.216 32.160 0.056 17685 8992 1 18 . 1 1 87 87 LYS H H 412 8.818 8.818 8.609 0.209 17685 8993 1 18 . 1 1 88 88 GLU N N 413 120.780 120.780 120.097 0.683 17685 8994 1 18 . 1 1 88 88 GLU HA H 413 4.127 4.127 4.186 -0.059 17685 8995 1 18 . 1 1 88 88 GLU C C 413 179.469 179.469 178.955 0.514 17685 8996 1 18 . 1 1 88 88 GLU CA C 413 59.720 59.720 58.848 0.872 17685 8997 1 18 . 1 1 88 88 GLU CB C 413 29.021 29.021 29.522 -0.501 17685 8998 1 18 . 1 1 88 88 GLU H H 413 7.882 7.882 7.632 0.250 17685 8999 1 18 . 1 1 89 89 SER N N 414 116.823 116.823 116.368 0.455 17685 9000 1 18 . 1 1 89 89 SER HA H 414 3.765 3.765 4.139 -0.374 17685 9001 1 18 . 1 1 89 89 SER C C 414 176.091 176.091 176.611 -0.520 17685 9002 1 18 . 1 1 89 89 SER CA C 414 63.550 63.550 62.031 1.519 17685 9003 1 18 . 1 1 89 89 SER CB C 414 63.718 63.718 62.923 0.795 17685 9004 1 18 . 1 1 89 89 SER H H 414 8.296 8.296 8.371 -0.075 17685 9005 1 18 . 1 1 90 90 ALA N N 415 123.230 123.230 125.764 -2.534 17685 9006 1 18 . 1 1 90 90 ALA HA H 415 3.831 3.831 3.893 -0.062 17685 9007 1 18 . 1 1 90 90 ALA C C 415 177.963 177.963 179.173 -1.210 17685 9008 1 18 . 1 1 90 90 ALA CA C 415 55.415 55.415 55.353 0.062 17685 9009 1 18 . 1 1 90 90 ALA CB C 415 19.432 19.432 18.255 1.177 17685 9010 1 18 . 1 1 90 90 ALA H H 415 8.805 8.805 8.463 0.342 17685 9011 1 18 . 1 1 91 91 LYS N N 416 117.753 117.753 118.463 -0.710 17685 9012 1 18 . 1 1 91 91 LYS HA H 416 3.972 3.972 4.067 -0.095 17685 9013 1 18 . 1 1 91 91 LYS C C 416 178.198 178.198 179.048 -0.850 17685 9014 1 18 . 1 1 91 91 LYS CA C 416 59.817 59.817 58.954 0.863 17685 9015 1 18 . 1 1 91 91 LYS CB C 416 32.247 32.247 31.957 0.290 17685 9016 1 18 . 1 1 91 91 LYS H H 416 8.085 8.085 7.923 0.162 17685 9017 1 18 . 1 1 92 92 THR N N 417 114.597 114.597 116.719 -2.122 17685 9018 1 18 . 1 1 92 92 THR HA H 417 4.075 4.075 4.055 0.020 17685 9019 1 18 . 1 1 92 92 THR C C 417 177.541 177.541 176.623 0.918 17685 9020 1 18 . 1 1 92 92 THR CA C 417 66.473 66.473 66.761 -0.288 17685 9021 1 18 . 1 1 92 92 THR CB C 417 69.070 69.070 68.435 0.635 17685 9022 1 18 . 1 1 92 92 THR H H 417 7.923 7.923 7.910 0.013 17685 9023 1 18 . 1 1 93 93 ILE N N 418 124.160 124.160 122.303 1.857 17685 9024 1 18 . 1 1 93 93 ILE HA H 418 3.662 3.662 3.634 0.028 17685 9025 1 18 . 1 1 93 93 ILE C C 418 178.114 178.114 177.658 0.456 17685 9026 1 18 . 1 1 93 93 ILE CA C 418 65.626 65.626 65.832 -0.206 17685 9027 1 18 . 1 1 93 93 ILE CB C 418 38.297 38.297 37.567 0.730 17685 9028 1 18 . 1 1 93 93 ILE H H 418 7.984 7.984 8.478 -0.494 17685 9029 1 18 . 1 1 94 94 VAL N N 419 121.566 121.566 120.335 1.231 17685 9030 1 18 . 1 1 94 94 VAL HA H 419 4.156 4.156 4.032 0.124 17685 9031 1 18 . 1 1 94 94 VAL C C 419 181.424 181.424 178.676 2.748 17685 9032 1 18 . 1 1 94 94 VAL CA C 419 65.808 65.808 65.449 0.359 17685 9033 1 18 . 1 1 94 94 VAL CB C 419 31.892 31.892 31.244 0.648 17685 9034 1 18 . 1 1 94 94 VAL H H 419 8.551 8.551 8.181 0.370 17685 9035 1 18 . 1 1 95 95 ASP N N 420 123.788 123.788 119.451 4.337 17685 9036 1 18 . 1 1 95 95 ASP HA H 420 4.477 4.477 4.442 0.035 17685 9037 1 18 . 1 1 95 95 ASP C C 420 178.220 178.220 178.291 -0.071 17685 9038 1 18 . 1 1 95 95 ASP CA C 420 57.548 57.548 56.721 0.827 17685 9039 1 18 . 1 1 95 95 ASP CB C 420 39.850 39.850 41.031 -1.181 17685 9040 1 18 . 1 1 95 95 ASP H H 420 9.354 9.354 8.140 1.214 17685 9041 1 18 . 1 1 96 96 SER N N 421 111.960 111.960 112.775 -0.815 17685 9042 1 18 . 1 1 96 96 SER HA H 421 4.526 4.526 4.487 0.039 17685 9043 1 18 . 1 1 96 96 SER C C 421 175.345 175.345 174.880 0.465 17685 9044 1 18 . 1 1 96 96 SER CA C 421 59.433 59.433 57.968 1.465 17685 9045 1 18 . 1 1 96 96 SER CB C 421 64.264 64.264 63.845 0.419 17685 9046 1 18 . 1 1 96 96 SER H H 421 7.862 7.862 7.797 0.065 17685 9047 1 18 . 1 1 97 97 GLY N N 422 110.240 110.240 109.470 0.770 17685 9048 1 18 . 1 1 97 97 GLY C C 422 175.158 175.158 175.417 -0.259 17685 9049 1 18 . 1 1 97 97 GLY CA C 422 45.606 45.606 46.125 -0.519 17685 9050 1 18 . 1 1 97 97 GLY H H 422 8.063 8.063 7.573 0.490 17685 9051 1 18 . 1 1 98 98 LYS N N 423 120.213 120.213 119.378 0.835 17685 9052 1 18 . 1 1 98 98 LYS HA H 423 4.083 4.083 4.207 -0.124 17685 9053 1 18 . 1 1 98 98 LYS C C 423 176.681 176.681 176.576 0.105 17685 9054 1 18 . 1 1 98 98 LYS CA C 423 59.417 59.417 58.295 1.122 17685 9055 1 18 . 1 1 98 98 LYS CB C 423 33.453 33.453 33.342 0.111 17685 9056 1 18 . 1 1 98 98 LYS H H 423 7.992 7.992 8.320 -0.328 17685 9057 1 18 . 1 1 99 99 LEU N N 424 114.357 114.357 118.610 -4.253 17685 9058 1 18 . 1 1 99 99 LEU HA H 424 4.848 4.848 4.790 0.058 17685 9059 1 18 . 1 1 99 99 LEU C C 424 174.161 174.161 173.986 0.175 17685 9060 1 18 . 1 1 99 99 LEU CA C 424 52.225 52.225 51.724 0.501 17685 9061 1 18 . 1 1 99 99 LEU CB C 424 46.075 46.075 44.015 2.060 17685 9062 1 18 . 1 1 99 99 LEU H H 424 6.865 6.865 7.298 -0.433 17685 9063 1 18 . 1 1 100 100 PRO HA H 425 4.650 4.650 4.757 -0.107 17685 9064 1 18 . 1 1 100 100 PRO C C 425 177.559 177.559 177.923 -0.364 17685 9065 1 18 . 1 1 100 100 PRO CA C 425 61.643 61.643 62.540 -0.897 17685 9066 1 18 . 1 1 100 100 PRO CB C 425 32.422 32.422 32.326 0.096 17685 9067 1 18 . 1 1 101 101 SER N N 426 117.043 117.043 119.553 -2.510 17685 9068 1 18 . 1 1 101 101 SER HA H 426 3.824 3.824 4.091 -0.267 17685 9069 1 18 . 1 1 101 101 SER C C 426 177.202 177.202 176.638 0.564 17685 9070 1 18 . 1 1 101 101 SER CA C 426 61.708 61.708 61.638 0.070 17685 9071 1 18 . 1 1 101 101 SER CB C 426 62.706 62.706 62.315 0.391 17685 9072 1 18 . 1 1 101 101 SER H H 426 8.999 8.999 8.689 0.310 17685 9073 1 18 . 1 1 102 102 SER N N 427 114.761 114.761 118.230 -3.469 17685 9074 1 18 . 1 1 102 102 SER HA H 427 4.112 4.112 4.351 -0.239 17685 9075 1 18 . 1 1 102 102 SER C C 427 176.526 176.526 175.814 0.712 17685 9076 1 18 . 1 1 102 102 SER CA C 427 60.650 60.650 60.575 0.076 17685 9077 1 18 . 1 1 102 102 SER CB C 427 62.213 62.213 62.950 -0.737 17685 9078 1 18 . 1 1 102 102 SER H H 427 8.115 8.115 8.353 -0.238 17685 9079 1 18 . 1 1 103 103 LEU N N 428 120.408 120.408 119.899 0.509 17685 9080 1 18 . 1 1 103 103 LEU HA H 428 4.435 4.435 4.431 0.004 17685 9081 1 18 . 1 1 103 103 LEU C C 428 176.698 176.698 175.967 0.731 17685 9082 1 18 . 1 1 103 103 LEU CA C 428 55.847 55.847 55.620 0.227 17685 9083 1 18 . 1 1 103 103 LEU CB C 428 42.586 42.586 42.106 0.480 17685 9084 1 18 . 1 1 103 103 LEU H H 428 7.320 7.320 7.894 -0.574 17685 9085 1 18 . 1 1 104 104 LEU N N 429 117.860 117.860 117.237 0.623 17685 9086 1 18 . 1 1 104 104 LEU HA H 429 4.995 4.995 5.180 -0.185 17685 9087 1 18 . 1 1 104 104 LEU C C 429 178.320 178.320 177.826 0.494 17685 9088 1 18 . 1 1 104 104 LEU CA C 429 52.672 52.672 52.945 -0.273 17685 9089 1 18 . 1 1 104 104 LEU CB C 429 43.039 43.039 41.525 1.514 17685 9090 1 18 . 1 1 104 104 LEU H H 429 7.325 7.325 8.000 -0.675 17685 9091 1 18 . 1 1 105 105 SER N N 430 112.664 112.664 116.787 -4.123 17685 9092 1 18 . 1 1 105 105 SER HA H 430 4.259 4.259 4.563 -0.304 17685 9093 1 18 . 1 1 105 105 SER C C 430 175.288 175.288 175.665 -0.377 17685 9094 1 18 . 1 1 105 105 SER CA C 430 61.247 61.247 61.146 0.101 17685 9095 1 18 . 1 1 105 105 SER CB C 430 64.058 64.058 62.747 1.311 17685 9096 1 18 . 1 1 105 105 SER H H 430 6.990 6.990 8.203 -1.213 17685 9097 1 18 . 1 1 106 106 TYR N N 431 125.624 125.624 121.362 4.262 17685 9098 1 18 . 1 1 106 106 TYR HA H 431 4.060 4.060 4.150 -0.090 17685 9099 1 18 . 1 1 106 106 TYR C C 431 176.064 176.064 175.302 0.762 17685 9100 1 18 . 1 1 106 106 TYR CA C 431 61.449 61.449 60.836 0.613 17685 9101 1 18 . 1 1 106 106 TYR CB C 431 38.282 38.282 38.870 -0.588 17685 9102 1 18 . 1 1 106 106 TYR H H 431 10.433 10.433 7.836 2.597 17685 9103 1 18 . 1 1 107 107 PHE N N 432 113.203 113.203 112.859 0.344 17685 9104 1 18 . 1 1 107 107 PHE HA H 432 4.314 4.314 4.594 -0.280 17685 9105 1 18 . 1 1 107 107 PHE C C 432 173.901 173.901 174.776 -0.875 17685 9106 1 18 . 1 1 107 107 PHE CA C 432 59.810 59.810 58.929 0.881 17685 9107 1 18 . 1 1 107 107 PHE CB C 432 43.249 43.249 41.011 2.238 17685 9108 1 18 . 1 1 107 107 PHE H H 432 7.955 7.955 8.028 -0.073 17685 9109 1 19 . 1 1 22 22 SER N N 347 116.741 116.741 118.357 -1.616 17685 9110 1 19 . 1 1 22 22 SER HA H 347 4.355 4.355 4.110 0.245 17685 9111 1 19 . 1 1 22 22 SER C C 347 176.272 176.272 176.508 -0.236 17685 9112 1 19 . 1 1 22 22 SER CA C 347 59.651 59.651 61.435 -1.784 17685 9113 1 19 . 1 1 22 22 SER CB C 347 63.231 63.231 63.336 -0.105 17685 9114 1 19 . 1 1 22 22 SER H H 347 8.311 8.311 8.646 -0.335 17685 9115 1 19 . 1 1 23 23 LYS N N 348 124.398 124.398 120.145 4.253 17685 9116 1 19 . 1 1 23 23 LYS HA H 348 4.142 4.142 4.208 -0.066 17685 9117 1 19 . 1 1 23 23 LYS C C 348 178.743 178.743 178.977 -0.234 17685 9118 1 19 . 1 1 23 23 LYS CA C 348 59.304 59.304 58.352 0.952 17685 9119 1 19 . 1 1 23 23 LYS CB C 348 32.301 32.301 31.526 0.775 17685 9120 1 19 . 1 1 23 23 LYS H H 348 8.611 8.611 8.445 0.166 17685 9121 1 19 . 1 1 24 24 ALA N N 349 122.494 122.494 122.314 0.180 17685 9122 1 19 . 1 1 24 24 ALA HA H 349 4.137 4.137 4.217 -0.080 17685 9123 1 19 . 1 1 24 24 ALA C C 349 179.869 179.869 179.600 0.269 17685 9124 1 19 . 1 1 24 24 ALA CA C 349 54.811 54.811 54.723 0.088 17685 9125 1 19 . 1 1 24 24 ALA CB C 349 18.284 18.284 18.017 0.267 17685 9126 1 19 . 1 1 24 24 ALA H H 349 8.245 8.245 8.244 0.001 17685 9127 1 19 . 1 1 25 25 ALA N N 350 121.576 121.576 120.771 0.805 17685 9128 1 19 . 1 1 25 25 ALA HA H 350 4.136 4.136 3.943 0.193 17685 9129 1 19 . 1 1 25 25 ALA C C 350 178.743 178.743 179.347 -0.604 17685 9130 1 19 . 1 1 25 25 ALA CA C 350 54.632 54.632 54.986 -0.354 17685 9131 1 19 . 1 1 25 25 ALA CB C 350 18.299 18.299 18.233 0.066 17685 9132 1 19 . 1 1 25 25 ALA H H 350 8.014 8.014 8.355 -0.341 17685 9133 1 19 . 1 1 26 26 LYS N N 351 119.618 119.618 119.162 0.456 17685 9134 1 19 . 1 1 26 26 LYS HA H 351 4.196 4.196 4.059 0.137 17685 9135 1 19 . 1 1 26 26 LYS C C 351 178.485 178.485 178.908 -0.423 17685 9136 1 19 . 1 1 26 26 LYS CA C 351 60.014 60.014 59.623 0.391 17685 9137 1 19 . 1 1 26 26 LYS CB C 351 32.511 32.511 32.276 0.235 17685 9138 1 19 . 1 1 26 26 LYS H H 351 7.831 7.831 7.613 0.218 17685 9139 1 19 . 1 1 27 27 LYS N N 352 118.080 118.080 119.088 -1.008 17685 9140 1 19 . 1 1 27 27 LYS HA H 352 3.958 3.958 3.993 -0.035 17685 9141 1 19 . 1 1 27 27 LYS C C 352 179.564 179.564 178.674 0.890 17685 9142 1 19 . 1 1 27 27 LYS CA C 352 60.092 60.092 59.468 0.624 17685 9143 1 19 . 1 1 27 27 LYS CB C 352 32.550 32.550 32.446 0.104 17685 9144 1 19 . 1 1 27 27 LYS H H 352 7.905 7.905 7.792 0.113 17685 9145 1 19 . 1 1 28 28 LYS N N 353 119.878 119.878 119.038 0.840 17685 9146 1 19 . 1 1 28 28 LYS HA H 353 4.023 4.023 3.961 0.062 17685 9147 1 19 . 1 1 28 28 LYS C C 353 179.270 179.270 179.082 0.188 17685 9148 1 19 . 1 1 28 28 LYS CA C 353 59.806 59.806 59.679 0.127 17685 9149 1 19 . 1 1 28 28 LYS CB C 353 32.324 32.324 32.333 -0.009 17685 9150 1 19 . 1 1 28 28 LYS H H 353 7.934 7.934 8.104 -0.170 17685 9151 1 19 . 1 1 29 29 ASN N N 354 119.780 119.780 117.635 2.145 17685 9152 1 19 . 1 1 29 29 ASN HA H 354 4.557 4.557 4.496 0.061 17685 9153 1 19 . 1 1 29 29 ASN C C 354 177.395 177.395 177.707 -0.312 17685 9154 1 19 . 1 1 29 29 ASN CA C 354 56.167 56.167 55.753 0.414 17685 9155 1 19 . 1 1 29 29 ASN CB C 354 37.928 37.928 38.147 -0.219 17685 9156 1 19 . 1 1 29 29 ASN H H 354 8.524 8.524 8.373 0.151 17685 9157 1 19 . 1 1 30 30 LYS N N 355 118.850 118.850 119.923 -1.073 17685 9158 1 19 . 1 1 30 30 LYS HA H 355 3.820 3.820 3.946 -0.126 17685 9159 1 19 . 1 1 30 30 LYS C C 355 178.266 178.266 178.926 -0.660 17685 9160 1 19 . 1 1 30 30 LYS CA C 355 61.698 61.698 59.914 1.784 17685 9161 1 19 . 1 1 30 30 LYS CB C 355 33.000 33.000 32.155 0.845 17685 9162 1 19 . 1 1 30 30 LYS H H 355 8.599 8.599 7.928 0.671 17685 9163 1 19 . 1 1 31 31 ARG N N 356 118.226 118.226 119.791 -1.565 17685 9164 1 19 . 1 1 31 31 ARG HA H 356 3.940 3.940 4.109 -0.169 17685 9165 1 19 . 1 1 31 31 ARG C C 356 177.676 177.676 178.133 -0.457 17685 9166 1 19 . 1 1 31 31 ARG CA C 356 59.316 59.316 59.032 0.284 17685 9167 1 19 . 1 1 31 31 ARG CB C 356 30.266 30.266 30.282 -0.015 17685 9168 1 19 . 1 1 31 31 ARG H H 356 7.809 7.809 7.747 0.062 17685 9169 1 19 . 1 1 32 32 ALA N N 357 120.780 120.780 122.552 -1.772 17685 9170 1 19 . 1 1 32 32 ALA HA H 357 4.104 4.104 4.012 0.092 17685 9171 1 19 . 1 1 32 32 ALA C C 357 181.157 181.157 179.685 1.472 17685 9172 1 19 . 1 1 32 32 ALA CA C 357 55.118 55.118 55.104 0.014 17685 9173 1 19 . 1 1 32 32 ALA CB C 357 18.064 18.064 18.447 -0.383 17685 9174 1 19 . 1 1 32 32 ALA H H 357 8.155 8.155 8.103 0.052 17685 9175 1 19 . 1 1 33 33 ILE N N 358 116.468 116.468 117.576 -1.108 17685 9176 1 19 . 1 1 33 33 ILE HA H 358 3.590 3.590 3.807 -0.217 17685 9177 1 19 . 1 1 33 33 ILE C C 358 179.458 179.458 178.774 0.684 17685 9178 1 19 . 1 1 33 33 ILE CA C 358 65.775 65.775 63.170 2.605 17685 9179 1 19 . 1 1 33 33 ILE CB C 358 38.592 38.592 36.633 1.958 17685 9180 1 19 . 1 1 33 33 ILE H H 358 7.929 7.929 8.148 -0.219 17685 9181 1 19 . 1 1 34 34 ARG N N 359 119.937 119.937 120.182 -0.245 17685 9182 1 19 . 1 1 34 34 ARG HA H 359 3.998 3.998 3.951 0.047 17685 9183 1 19 . 1 1 34 34 ARG C C 359 179.124 179.124 178.938 0.186 17685 9184 1 19 . 1 1 34 34 ARG CA C 359 60.029 60.029 59.998 0.030 17685 9185 1 19 . 1 1 34 34 ARG CB C 359 30.576 30.576 29.851 0.725 17685 9186 1 19 . 1 1 34 34 ARG H H 359 8.672 8.672 7.615 1.057 17685 9187 1 19 . 1 1 35 35 ASN N N 360 116.359 116.359 117.496 -1.137 17685 9188 1 19 . 1 1 35 35 ASN HA H 360 4.575 4.575 4.505 0.070 17685 9189 1 19 . 1 1 35 35 ASN C C 360 175.723 175.723 176.524 -0.801 17685 9190 1 19 . 1 1 35 35 ASN CA C 360 54.215 54.215 56.018 -1.803 17685 9191 1 19 . 1 1 35 35 ASN CB C 360 38.575 38.575 38.354 0.221 17685 9192 1 19 . 1 1 35 35 ASN H H 360 8.454 8.454 8.318 0.136 17685 9193 1 19 . 1 1 36 36 SER N N 361 115.734 115.734 117.134 -1.400 17685 9194 1 19 . 1 1 36 36 SER HA H 361 3.995 3.995 4.088 -0.093 17685 9195 1 19 . 1 1 36 36 SER C C 361 176.129 176.129 175.518 0.611 17685 9196 1 19 . 1 1 36 36 SER CA C 361 62.349 62.349 62.025 0.324 17685 9197 1 19 . 1 1 36 36 SER CB C 361 63.664 63.664 62.835 0.829 17685 9198 1 19 . 1 1 36 36 SER H H 361 7.617 7.617 7.690 -0.073 17685 9199 1 19 . 1 1 37 37 ALA N N 362 124.421 124.421 122.012 2.409 17685 9200 1 19 . 1 1 37 37 ALA HA H 362 3.770 3.770 3.745 0.025 17685 9201 1 19 . 1 1 37 37 ALA C C 362 178.482 178.482 177.063 1.419 17685 9202 1 19 . 1 1 37 37 ALA CA C 362 54.821 54.821 53.752 1.069 17685 9203 1 19 . 1 1 37 37 ALA CB C 362 18.347 18.347 18.184 0.163 17685 9204 1 19 . 1 1 37 37 ALA H H 362 6.868 6.868 7.453 -0.585 17685 9205 1 19 . 1 1 38 38 LYS N N 363 122.319 122.319 117.417 4.902 17685 9206 1 19 . 1 1 38 38 LYS HA H 363 2.913 2.913 4.060 -1.147 17685 9207 1 19 . 1 1 38 38 LYS C C 363 180.669 180.669 179.197 1.472 17685 9208 1 19 . 1 1 38 38 LYS CA C 363 59.567 59.567 58.796 0.771 17685 9209 1 19 . 1 1 38 38 LYS CB C 363 31.563 31.563 32.667 -1.104 17685 9210 1 19 . 1 1 38 38 LYS H H 363 8.317 8.317 7.438 0.879 17685 9211 1 19 . 1 1 39 39 GLU N N 364 118.666 118.666 118.864 -0.198 17685 9212 1 19 . 1 1 39 39 GLU HA H 364 4.015 4.015 4.156 -0.141 17685 9213 1 19 . 1 1 39 39 GLU C C 364 176.609 176.609 178.253 -1.644 17685 9214 1 19 . 1 1 39 39 GLU CA C 364 58.674 58.674 58.419 0.255 17685 9215 1 19 . 1 1 39 39 GLU CB C 364 29.058 29.058 29.815 -0.757 17685 9216 1 19 . 1 1 39 39 GLU H H 364 7.935 7.935 7.786 0.149 17685 9217 1 19 . 1 1 40 40 ALA N N 365 121.145 121.145 119.381 1.764 17685 9218 1 19 . 1 1 40 40 ALA HA H 365 4.663 4.663 4.449 0.214 17685 9219 1 19 . 1 1 40 40 ALA C C 365 177.688 177.688 175.819 1.869 17685 9220 1 19 . 1 1 40 40 ALA CA C 365 50.931 50.931 51.105 -0.174 17685 9221 1 19 . 1 1 40 40 ALA CB C 365 18.566 18.566 19.584 -1.018 17685 9222 1 19 . 1 1 40 40 ALA H H 365 7.049 7.049 7.784 -0.735 17685 9223 1 19 . 1 1 41 41 ASP N N 366 121.103 121.103 116.192 4.911 17685 9224 1 19 . 1 1 41 41 ASP HA H 366 4.338 4.338 4.179 0.159 17685 9225 1 19 . 1 1 41 41 ASP C C 366 175.644 175.644 174.944 0.700 17685 9226 1 19 . 1 1 41 41 ASP CA C 366 55.898 55.898 54.402 1.496 17685 9227 1 19 . 1 1 41 41 ASP CB C 366 39.353 39.353 40.940 -1.587 17685 9228 1 19 . 1 1 41 41 ASP H H 366 8.099 8.099 7.091 1.008 17685 9229 1 19 . 1 1 42 42 TYR N N 367 110.700 110.700 120.212 -9.512 17685 9230 1 19 . 1 1 42 42 TYR HA H 367 2.485 2.485 4.033 -1.548 17685 9231 1 19 . 1 1 42 42 TYR C C 367 174.307 174.307 176.213 -1.906 17685 9232 1 19 . 1 1 42 42 TYR CA C 367 61.064 61.064 58.545 2.519 17685 9233 1 19 . 1 1 42 42 TYR CB C 367 34.242 34.242 38.150 -3.908 17685 9234 1 19 . 1 1 42 42 TYR H H 367 8.364 8.364 8.821 -0.457 17685 9235 1 19 . 1 1 43 43 PHE N N 368 111.305 111.305 115.673 -4.368 17685 9236 1 19 . 1 1 43 43 PHE HA H 368 4.666 4.666 4.207 0.459 17685 9237 1 19 . 1 1 43 43 PHE C C 368 177.162 177.162 175.967 1.195 17685 9238 1 19 . 1 1 43 43 PHE CA C 368 56.561 56.561 59.224 -2.663 17685 9239 1 19 . 1 1 43 43 PHE CB C 368 36.514 36.514 35.831 0.683 17685 9240 1 19 . 1 1 43 43 PHE H H 368 7.666 7.666 8.103 -0.437 17685 9241 1 19 . 1 1 44 44 GLY N N 369 106.300 106.300 105.269 1.031 17685 9242 1 19 . 1 1 44 44 GLY C C 369 174.446 174.446 174.797 -0.351 17685 9243 1 19 . 1 1 44 44 GLY CA C 369 45.780 45.780 45.127 0.653 17685 9244 1 19 . 1 1 44 44 GLY H H 369 7.671 7.671 8.189 -0.518 17685 9245 1 19 . 1 1 45 45 ASP N N 370 122.876 122.876 120.812 2.064 17685 9246 1 19 . 1 1 45 45 ASP HA H 370 5.323 5.323 4.897 0.426 17685 9247 1 19 . 1 1 45 45 ASP C C 370 176.360 176.360 176.465 -0.105 17685 9248 1 19 . 1 1 45 45 ASP CA C 370 53.322 53.322 54.084 -0.762 17685 9249 1 19 . 1 1 45 45 ASP CB C 370 41.391 41.391 41.566 -0.175 17685 9250 1 19 . 1 1 45 45 ASP H H 370 8.331 8.331 8.268 0.063 17685 9251 1 19 . 1 1 46 46 ALA N N 371 121.771 121.771 123.379 -1.608 17685 9252 1 19 . 1 1 46 46 ALA HA H 371 3.600 3.600 3.838 -0.238 17685 9253 1 19 . 1 1 46 46 ALA C C 371 179.111 179.111 179.022 0.089 17685 9254 1 19 . 1 1 46 46 ALA CA C 371 56.038 56.038 54.901 1.137 17685 9255 1 19 . 1 1 46 46 ALA CB C 371 17.942 17.942 18.481 -0.539 17685 9256 1 19 . 1 1 46 46 ALA H H 371 8.282 8.282 8.266 0.016 17685 9257 1 19 . 1 1 47 47 ASP N N 372 116.273 116.273 116.438 -0.165 17685 9258 1 19 . 1 1 47 47 ASP HA H 372 4.359 4.359 4.401 -0.042 17685 9259 1 19 . 1 1 47 47 ASP C C 372 177.019 177.019 176.876 0.143 17685 9260 1 19 . 1 1 47 47 ASP CA C 372 55.832 55.832 55.871 -0.039 17685 9261 1 19 . 1 1 47 47 ASP CB C 372 39.190 39.190 40.558 -1.368 17685 9262 1 19 . 1 1 47 47 ASP H H 372 9.068 9.068 8.764 0.304 17685 9263 1 19 . 1 1 48 48 LYS N N 373 120.180 120.180 115.847 4.333 17685 9264 1 19 . 1 1 48 48 LYS HA H 373 4.723 4.723 4.633 0.090 17685 9265 1 19 . 1 1 48 48 LYS C C 373 175.542 175.542 176.304 -0.762 17685 9266 1 19 . 1 1 48 48 LYS CA C 373 54.787 54.787 55.208 -0.421 17685 9267 1 19 . 1 1 48 48 LYS CB C 373 32.179 32.179 31.742 0.437 17685 9268 1 19 . 1 1 48 48 LYS H H 373 8.050 8.050 7.804 0.246 17685 9269 1 19 . 1 1 49 49 ALA N N 374 122.498 122.498 123.250 -0.752 17685 9270 1 19 . 1 1 49 49 ALA HA H 374 3.068 3.068 4.163 -1.095 17685 9271 1 19 . 1 1 49 49 ALA C C 374 177.781 177.781 179.120 -1.339 17685 9272 1 19 . 1 1 49 49 ALA CA C 374 56.962 56.962 55.851 1.111 17685 9273 1 19 . 1 1 49 49 ALA CB C 374 17.855 17.855 17.875 -0.021 17685 9274 1 19 . 1 1 49 49 ALA H H 374 7.045 7.045 7.582 -0.537 17685 9275 1 19 . 1 1 50 50 THR N N 375 108.573 108.573 112.653 -4.080 17685 9276 1 19 . 1 1 50 50 THR HA H 375 4.044 4.044 4.034 0.010 17685 9277 1 19 . 1 1 50 50 THR C C 375 177.647 177.647 176.531 1.116 17685 9278 1 19 . 1 1 50 50 THR CA C 375 66.201 66.201 67.606 -1.405 17685 9279 1 19 . 1 1 50 50 THR CB C 375 68.334 68.334 68.053 0.281 17685 9280 1 19 . 1 1 50 50 THR H H 375 8.285 8.285 8.402 -0.117 17685 9281 1 19 . 1 1 51 51 THR N N 376 120.018 120.018 119.792 0.226 17685 9282 1 19 . 1 1 51 51 THR HA H 376 4.147 4.147 4.034 0.113 17685 9283 1 19 . 1 1 51 51 THR C C 376 175.499 175.499 176.543 -1.044 17685 9284 1 19 . 1 1 51 51 THR CA C 376 66.145 66.145 66.784 -0.639 17685 9285 1 19 . 1 1 51 51 THR CB C 376 69.382 69.382 68.374 1.008 17685 9286 1 19 . 1 1 51 51 THR H H 376 7.359 7.359 7.424 -0.065 17685 9287 1 19 . 1 1 52 52 ILE N N 377 122.319 122.319 122.937 -0.618 17685 9288 1 19 . 1 1 52 52 ILE HA H 377 3.168 3.168 3.932 -0.764 17685 9289 1 19 . 1 1 52 52 ILE C C 377 177.879 177.879 178.190 -0.311 17685 9290 1 19 . 1 1 52 52 ILE CA C 377 67.070 67.070 65.760 1.310 17685 9291 1 19 . 1 1 52 52 ILE CB C 377 38.257 38.257 37.691 0.565 17685 9292 1 19 . 1 1 52 52 ILE H H 377 8.346 8.346 8.679 -0.333 17685 9293 1 19 . 1 1 53 53 ASP N N 378 117.696 117.696 120.007 -2.311 17685 9294 1 19 . 1 1 53 53 ASP HA H 378 4.739 4.739 4.312 0.427 17685 9295 1 19 . 1 1 53 53 ASP C C 378 180.094 180.094 178.763 1.331 17685 9296 1 19 . 1 1 53 53 ASP CA C 378 58.044 58.044 57.974 0.070 17685 9297 1 19 . 1 1 53 53 ASP CB C 378 39.648 39.648 40.903 -1.255 17685 9298 1 19 . 1 1 53 53 ASP H H 378 8.991 8.991 8.387 0.604 17685 9299 1 19 . 1 1 54 54 GLU N N 379 121.956 121.956 119.635 2.321 17685 9300 1 19 . 1 1 54 54 GLU HA H 379 4.174 4.174 4.090 0.083 17685 9301 1 19 . 1 1 54 54 GLU C C 379 179.679 179.679 179.312 0.367 17685 9302 1 19 . 1 1 54 54 GLU CA C 379 59.572 59.572 59.125 0.447 17685 9303 1 19 . 1 1 54 54 GLU CB C 379 29.324 29.324 29.405 -0.081 17685 9304 1 19 . 1 1 54 54 GLU H H 379 7.946 7.946 7.985 -0.039 17685 9305 1 19 . 1 1 55 55 GLN N N 380 120.733 120.733 119.625 1.108 17685 9306 1 19 . 1 1 55 55 GLN HA H 380 4.171 4.171 4.114 0.057 17685 9307 1 19 . 1 1 55 55 GLN C C 380 178.288 178.288 178.724 -0.436 17685 9308 1 19 . 1 1 55 55 GLN CA C 380 59.994 59.994 59.042 0.952 17685 9309 1 19 . 1 1 55 55 GLN CB C 380 29.566 29.566 29.141 0.425 17685 9310 1 19 . 1 1 55 55 GLN H H 380 8.357 8.357 8.473 -0.116 17685 9311 1 19 . 1 1 56 56 VAL N N 381 120.353 120.353 119.534 0.819 17685 9312 1 19 . 1 1 56 56 VAL HA H 381 3.536 3.536 3.515 0.021 17685 9313 1 19 . 1 1 56 56 VAL C C 381 178.220 178.220 178.214 0.006 17685 9314 1 19 . 1 1 56 56 VAL CA C 381 67.557 67.557 66.613 0.944 17685 9315 1 19 . 1 1 56 56 VAL CB C 381 31.349 31.349 30.765 0.584 17685 9316 1 19 . 1 1 56 56 VAL H H 381 9.484 9.484 8.484 1.000 17685 9317 1 19 . 1 1 57 57 GLY N N 382 106.926 106.926 107.563 -0.637 17685 9318 1 19 . 1 1 57 57 GLY C C 382 174.843 174.843 176.497 -1.654 17685 9319 1 19 . 1 1 57 57 GLY CA C 382 47.694 47.694 47.218 0.476 17685 9320 1 19 . 1 1 57 57 GLY H H 382 8.169 8.169 8.041 0.128 17685 9321 1 19 . 1 1 58 58 LEU N N 383 120.610 120.610 122.611 -2.001 17685 9322 1 19 . 1 1 58 58 LEU HA H 383 4.151 4.151 3.979 0.172 17685 9323 1 19 . 1 1 58 58 LEU C C 383 180.087 180.087 178.835 1.252 17685 9324 1 19 . 1 1 58 58 LEU CA C 383 57.974 57.974 57.489 0.485 17685 9325 1 19 . 1 1 58 58 LEU CB C 383 42.125 42.125 41.801 0.324 17685 9326 1 19 . 1 1 58 58 LEU H H 383 7.568 7.568 7.715 -0.147 17685 9327 1 19 . 1 1 59 59 ILE N N 384 120.213 120.213 119.385 0.828 17685 9328 1 19 . 1 1 59 59 ILE HA H 384 3.416 3.416 3.572 -0.156 17685 9329 1 19 . 1 1 59 59 ILE C C 384 178.310 178.310 178.098 0.212 17685 9330 1 19 . 1 1 59 59 ILE CA C 384 66.069 66.069 65.555 0.514 17685 9331 1 19 . 1 1 59 59 ILE CB C 384 38.233 38.233 37.751 0.482 17685 9332 1 19 . 1 1 59 59 ILE H H 384 8.057 8.057 7.877 0.180 17685 9333 1 19 . 1 1 60 60 VAL N N 385 115.546 115.546 113.906 1.640 17685 9334 1 19 . 1 1 60 60 VAL HA H 385 3.560 3.560 3.688 -0.128 17685 9335 1 19 . 1 1 60 60 VAL C C 385 177.921 177.921 176.852 1.069 17685 9336 1 19 . 1 1 60 60 VAL CA C 385 66.702 66.702 65.086 1.616 17685 9337 1 19 . 1 1 60 60 VAL CB C 385 31.565 31.565 31.724 -0.159 17685 9338 1 19 . 1 1 60 60 VAL H H 385 8.672 8.672 8.215 0.457 17685 9339 1 19 . 1 1 61 61 ASP N N 386 117.831 117.831 118.345 -0.514 17685 9340 1 19 . 1 1 61 61 ASP HA H 386 4.571 4.571 4.535 0.036 17685 9341 1 19 . 1 1 61 61 ASP C C 386 177.238 177.238 177.629 -0.391 17685 9342 1 19 . 1 1 61 61 ASP CA C 386 56.184 56.184 56.023 0.161 17685 9343 1 19 . 1 1 61 61 ASP CB C 386 40.632 40.632 41.462 -0.831 17685 9344 1 19 . 1 1 61 61 ASP H H 386 7.988 7.988 7.667 0.321 17685 9345 1 19 . 1 1 62 62 SER N N 387 114.761 114.761 114.495 0.266 17685 9346 1 19 . 1 1 62 62 SER HA H 387 4.577 4.577 4.410 0.167 17685 9347 1 19 . 1 1 62 62 SER C C 387 173.645 173.645 175.018 -1.373 17685 9348 1 19 . 1 1 62 62 SER CA C 387 59.694 59.694 59.618 0.076 17685 9349 1 19 . 1 1 62 62 SER CB C 387 64.588 64.588 63.703 0.885 17685 9350 1 19 . 1 1 62 62 SER H H 387 7.755 7.755 7.856 -0.101 17685 9351 1 19 . 1 1 63 63 LEU N N 388 121.610 121.610 121.046 0.564 17685 9352 1 19 . 1 1 63 63 LEU HA H 388 4.506 4.506 4.328 0.178 17685 9353 1 19 . 1 1 63 63 LEU C C 388 177.071 177.071 175.162 1.909 17685 9354 1 19 . 1 1 63 63 LEU CA C 388 54.490 54.490 54.504 -0.014 17685 9355 1 19 . 1 1 63 63 LEU CB C 388 42.414 42.414 42.916 -0.502 17685 9356 1 19 . 1 1 63 63 LEU H H 388 7.083 7.083 7.413 -0.331 17685 9357 1 19 . 1 1 64 64 ASN N N 389 122.154 122.154 115.367 6.787 17685 9358 1 19 . 1 1 64 64 ASN HA H 389 4.748 4.748 4.817 -0.069 17685 9359 1 19 . 1 1 64 64 ASN C C 389 175.144 175.144 175.409 -0.265 17685 9360 1 19 . 1 1 64 64 ASN CA C 389 51.898 51.898 51.650 0.248 17685 9361 1 19 . 1 1 64 64 ASN CB C 389 37.762 37.762 40.304 -2.542 17685 9362 1 19 . 1 1 64 64 ASN H H 389 9.587 9.587 8.076 1.511 17685 9363 1 19 . 1 1 65 65 ASP N N 390 116.882 116.882 120.140 -3.258 17685 9364 1 19 . 1 1 65 65 ASP HA H 390 4.288 4.288 4.259 0.029 17685 9365 1 19 . 1 1 65 65 ASP C C 390 178.601 178.601 178.003 0.598 17685 9366 1 19 . 1 1 65 65 ASP CA C 390 58.992 58.992 58.395 0.597 17685 9367 1 19 . 1 1 65 65 ASP CB C 390 40.168 40.168 40.626 -0.458 17685 9368 1 19 . 1 1 65 65 ASP H H 390 8.504 8.504 8.869 -0.365 17685 9369 1 19 . 1 1 66 66 GLU N N 391 119.807 119.807 118.798 1.009 17685 9370 1 19 . 1 1 66 66 GLU HA H 391 4.048 4.048 4.142 -0.094 17685 9371 1 19 . 1 1 66 66 GLU C C 391 179.549 179.549 178.956 0.593 17685 9372 1 19 . 1 1 66 66 GLU CA C 391 59.943 59.943 59.010 0.933 17685 9373 1 19 . 1 1 66 66 GLU CB C 391 29.119 29.119 29.462 -0.343 17685 9374 1 19 . 1 1 66 66 GLU H H 391 8.318 8.318 8.657 -0.339 17685 9375 1 19 . 1 1 67 67 GLU N N 392 121.747 121.747 119.865 1.882 17685 9376 1 19 . 1 1 67 67 GLU HA H 392 4.151 4.151 4.159 -0.008 17685 9377 1 19 . 1 1 67 67 GLU C C 392 180.544 180.544 179.022 1.522 17685 9378 1 19 . 1 1 67 67 GLU CA C 392 58.307 58.307 58.367 -0.060 17685 9379 1 19 . 1 1 67 67 GLU CB C 392 30.933 30.933 29.108 1.825 17685 9380 1 19 . 1 1 67 67 GLU H H 392 8.709 8.709 7.813 0.896 17685 9381 1 19 . 1 1 68 68 LEU N N 393 123.523 123.523 120.598 2.925 17685 9382 1 19 . 1 1 68 68 LEU HA H 393 3.923 3.923 4.085 -0.162 17685 9383 1 19 . 1 1 68 68 LEU C C 393 178.151 178.151 179.502 -1.351 17685 9384 1 19 . 1 1 68 68 LEU CA C 393 58.642 58.642 57.935 0.707 17685 9385 1 19 . 1 1 68 68 LEU CB C 393 42.304 42.304 41.558 0.746 17685 9386 1 19 . 1 1 68 68 LEU H H 393 8.930 8.930 7.907 1.023 17685 9387 1 19 . 1 1 69 69 VAL N N 394 118.071 118.071 118.556 -0.485 17685 9388 1 19 . 1 1 69 69 VAL HA H 394 3.527 3.527 3.582 -0.055 17685 9389 1 19 . 1 1 69 69 VAL C C 394 177.701 177.701 178.102 -0.401 17685 9390 1 19 . 1 1 69 69 VAL CA C 394 66.494 66.494 66.697 -0.203 17685 9391 1 19 . 1 1 69 69 VAL CB C 394 32.103 32.103 31.246 0.857 17685 9392 1 19 . 1 1 69 69 VAL H H 394 7.304 7.304 7.654 -0.350 17685 9393 1 19 . 1 1 70 70 SER N N 395 112.686 112.686 115.625 -2.939 17685 9394 1 19 . 1 1 70 70 SER HA H 395 4.238 4.238 4.169 0.069 17685 9395 1 19 . 1 1 70 70 SER C C 395 177.618 177.618 176.803 0.815 17685 9396 1 19 . 1 1 70 70 SER CA C 395 61.410 61.410 62.294 -0.884 17685 9397 1 19 . 1 1 70 70 SER CB C 395 63.002 63.002 63.095 -0.093 17685 9398 1 19 . 1 1 70 70 SER H H 395 7.906 7.906 7.859 0.047 17685 9399 1 19 . 1 1 71 71 THR N N 396 118.003 118.003 115.143 2.860 17685 9400 1 19 . 1 1 71 71 THR HA H 396 3.767 3.767 3.917 -0.150 17685 9401 1 19 . 1 1 71 71 THR C C 396 175.404 175.404 176.593 -1.189 17685 9402 1 19 . 1 1 71 71 THR CA C 396 67.763 67.763 65.531 2.232 17685 9403 1 19 . 1 1 71 71 THR CB C 396 68.498 68.498 68.680 -0.182 17685 9404 1 19 . 1 1 71 71 THR H H 396 8.511 8.511 8.449 0.062 17685 9405 1 19 . 1 1 72 72 ALA N N 397 123.373 123.373 125.081 -1.708 17685 9406 1 19 . 1 1 72 72 ALA HA H 397 3.857 3.857 3.906 -0.049 17685 9407 1 19 . 1 1 72 72 ALA C C 397 180.173 180.173 179.052 1.121 17685 9408 1 19 . 1 1 72 72 ALA CA C 397 56.079 56.079 55.099 0.980 17685 9409 1 19 . 1 1 72 72 ALA CB C 397 17.767 17.767 18.275 -0.508 17685 9410 1 19 . 1 1 72 72 ALA H H 397 8.268 8.268 8.163 0.105 17685 9411 1 19 . 1 1 73 73 ASP N N 398 118.963 118.963 118.105 0.858 17685 9412 1 19 . 1 1 73 73 ASP HA H 398 4.382 4.382 4.333 0.049 17685 9413 1 19 . 1 1 73 73 ASP C C 398 179.471 179.471 178.739 0.732 17685 9414 1 19 . 1 1 73 73 ASP CA C 398 57.692 57.692 57.372 0.320 17685 9415 1 19 . 1 1 73 73 ASP CB C 398 40.015 40.015 40.951 -0.936 17685 9416 1 19 . 1 1 73 73 ASP H H 398 8.585 8.585 8.436 0.149 17685 9417 1 19 . 1 1 74 74 LYS N N 399 120.591 120.591 118.642 1.949 17685 9418 1 19 . 1 1 74 74 LYS HA H 399 4.050 4.050 4.117 -0.067 17685 9419 1 19 . 1 1 74 74 LYS C C 399 180.082 180.082 179.105 0.977 17685 9420 1 19 . 1 1 74 74 LYS CA C 399 60.001 60.001 58.627 1.374 17685 9421 1 19 . 1 1 74 74 LYS CB C 399 34.080 34.080 32.152 1.928 17685 9422 1 19 . 1 1 74 74 LYS H H 399 8.003 8.003 7.776 0.227 17685 9423 1 19 . 1 1 75 75 ILE N N 400 120.602 120.602 119.880 0.722 17685 9424 1 19 . 1 1 75 75 ILE HA H 400 3.687 3.687 3.933 -0.246 17685 9425 1 19 . 1 1 75 75 ILE C C 400 177.770 177.770 178.074 -0.304 17685 9426 1 19 . 1 1 75 75 ILE CA C 400 64.860 64.860 64.281 0.579 17685 9427 1 19 . 1 1 75 75 ILE CB C 400 38.253 38.253 37.941 0.312 17685 9428 1 19 . 1 1 75 75 ILE H H 400 7.877 7.877 7.410 0.467 17685 9429 1 19 . 1 1 76 76 LYS N N 401 120.036 120.036 119.097 0.939 17685 9430 1 19 . 1 1 76 76 LYS HA H 401 4.032 4.032 4.105 -0.073 17685 9431 1 19 . 1 1 76 76 LYS C C 401 178.423 178.423 178.651 -0.228 17685 9432 1 19 . 1 1 76 76 LYS CA C 401 58.735 58.735 58.404 0.331 17685 9433 1 19 . 1 1 76 76 LYS CB C 401 32.325 32.325 31.636 0.689 17685 9434 1 19 . 1 1 76 76 LYS H H 401 8.260 8.260 8.108 0.152 17685 9435 1 19 . 1 1 77 77 ALA N N 402 118.655 118.655 120.468 -1.813 17685 9436 1 19 . 1 1 77 77 ALA HA H 402 4.205 4.205 4.213 -0.008 17685 9437 1 19 . 1 1 77 77 ALA C C 402 177.949 177.949 178.117 -0.168 17685 9438 1 19 . 1 1 77 77 ALA CA C 402 53.673 53.673 53.793 -0.120 17685 9439 1 19 . 1 1 77 77 ALA CB C 402 19.018 19.018 19.319 -0.301 17685 9440 1 19 . 1 1 77 77 ALA H H 402 7.564 7.564 7.635 -0.071 17685 9441 1 19 . 1 1 78 78 ASN N N 403 113.964 113.964 116.929 -2.965 17685 9442 1 19 . 1 1 78 78 ASN HA H 403 4.841 4.841 4.806 0.035 17685 9443 1 19 . 1 1 78 78 ASN C C 403 174.866 174.866 175.144 -0.278 17685 9444 1 19 . 1 1 78 78 ASN CA C 403 52.485 52.485 52.952 -0.467 17685 9445 1 19 . 1 1 78 78 ASN CB C 403 37.659 37.659 39.384 -1.725 17685 9446 1 19 . 1 1 78 78 ASN H H 403 7.397 7.397 7.662 -0.265 17685 9447 1 19 . 1 1 79 79 ALA N N 404 131.057 131.057 127.846 3.211 17685 9448 1 19 . 1 1 79 79 ALA HA H 404 4.160 4.160 4.339 -0.179 17685 9449 1 19 . 1 1 79 79 ALA C C 404 180.575 180.575 178.648 1.927 17685 9450 1 19 . 1 1 79 79 ALA CA C 404 56.271 56.271 54.520 1.751 17685 9451 1 19 . 1 1 79 79 ALA CB C 404 18.357 18.357 18.970 -0.613 17685 9452 1 19 . 1 1 79 79 ALA H H 404 9.143 9.143 8.645 0.498 17685 9453 1 19 . 1 1 80 80 ALA N N 405 117.862 117.862 119.434 -1.572 17685 9454 1 19 . 1 1 80 80 ALA HA H 405 4.362 4.362 4.197 0.165 17685 9455 1 19 . 1 1 80 80 ALA C C 405 179.218 179.218 178.074 1.144 17685 9456 1 19 . 1 1 80 80 ALA CA C 405 53.931 53.931 53.425 0.506 17685 9457 1 19 . 1 1 80 80 ALA CB C 405 18.226 18.226 18.928 -0.702 17685 9458 1 19 . 1 1 80 80 ALA H H 405 8.315 8.315 7.965 0.350 17685 9459 1 19 . 1 1 81 81 GLY N N 406 106.895 106.895 105.580 1.315 17685 9460 1 19 . 1 1 81 81 GLY C C 406 175.175 175.175 174.287 0.888 17685 9461 1 19 . 1 1 81 81 GLY CA C 406 45.363 45.363 43.918 1.445 17685 9462 1 19 . 1 1 81 81 GLY H H 406 7.908 7.908 7.471 0.437 17685 9463 1 19 . 1 1 82 82 ALA N N 407 120.775 120.775 124.630 -3.855 17685 9464 1 19 . 1 1 82 82 ALA HA H 407 3.971 3.971 4.060 -0.089 17685 9465 1 19 . 1 1 82 82 ALA C C 407 177.879 177.879 178.762 -0.883 17685 9466 1 19 . 1 1 82 82 ALA CA C 407 56.076 56.076 55.597 0.479 17685 9467 1 19 . 1 1 82 82 ALA CB C 407 19.120 19.120 19.076 0.044 17685 9468 1 19 . 1 1 82 82 ALA H H 407 7.574 7.574 7.751 -0.177 17685 9469 1 19 . 1 1 83 83 LYS N N 408 117.628 117.628 119.107 -1.479 17685 9470 1 19 . 1 1 83 83 LYS HA H 408 3.352 3.352 3.962 -0.610 17685 9471 1 19 . 1 1 83 83 LYS C C 408 178.064 178.064 178.558 -0.494 17685 9472 1 19 . 1 1 83 83 LYS CA C 408 61.404 61.404 59.696 1.708 17685 9473 1 19 . 1 1 83 83 LYS CB C 408 31.311 31.311 31.689 -0.378 17685 9474 1 19 . 1 1 83 83 LYS H H 408 8.755 8.755 8.572 0.183 17685 9475 1 19 . 1 1 84 84 GLU N N 409 116.005 116.005 118.158 -2.153 17685 9476 1 19 . 1 1 84 84 GLU HA H 409 3.994 3.994 4.108 -0.114 17685 9477 1 19 . 1 1 84 84 GLU C C 409 179.508 179.508 178.423 1.085 17685 9478 1 19 . 1 1 84 84 GLU CA C 409 59.300 59.300 59.082 0.218 17685 9479 1 19 . 1 1 84 84 GLU CB C 409 28.978 28.978 28.282 0.696 17685 9480 1 19 . 1 1 84 84 GLU H H 409 7.708 7.708 8.356 -0.648 17685 9481 1 19 . 1 1 85 85 VAL N N 410 120.216 120.216 120.787 -0.571 17685 9482 1 19 . 1 1 85 85 VAL HA H 410 3.786 3.786 3.802 -0.016 17685 9483 1 19 . 1 1 85 85 VAL C C 410 179.087 179.087 177.633 1.454 17685 9484 1 19 . 1 1 85 85 VAL CA C 410 66.066 66.066 65.987 0.078 17685 9485 1 19 . 1 1 85 85 VAL CB C 410 32.060 32.060 31.768 0.292 17685 9486 1 19 . 1 1 85 85 VAL H H 410 7.494 7.494 7.228 0.266 17685 9487 1 19 . 1 1 86 86 LEU N N 411 121.293 121.293 121.135 0.158 17685 9488 1 19 . 1 1 86 86 LEU HA H 411 3.871 3.871 3.933 -0.062 17685 9489 1 19 . 1 1 86 86 LEU C C 411 178.844 178.844 179.523 -0.679 17685 9490 1 19 . 1 1 86 86 LEU CA C 411 58.100 58.100 57.727 0.373 17685 9491 1 19 . 1 1 86 86 LEU CB C 411 42.047 42.047 40.163 1.884 17685 9492 1 19 . 1 1 86 86 LEU H H 411 8.371 8.371 8.368 0.003 17685 9493 1 19 . 1 1 87 87 LYS N N 412 119.536 119.536 118.059 1.477 17685 9494 1 19 . 1 1 87 87 LYS HA H 412 4.206 4.206 4.270 -0.064 17685 9495 1 19 . 1 1 87 87 LYS C C 412 179.347 179.347 179.175 0.172 17685 9496 1 19 . 1 1 87 87 LYS CA C 412 60.924 60.924 59.603 1.321 17685 9497 1 19 . 1 1 87 87 LYS CB C 412 32.216 32.216 32.240 -0.024 17685 9498 1 19 . 1 1 87 87 LYS H H 412 8.818 8.818 8.511 0.307 17685 9499 1 19 . 1 1 88 88 GLU N N 413 120.780 120.780 120.280 0.500 17685 9500 1 19 . 1 1 88 88 GLU HA H 413 4.127 4.127 4.022 0.105 17685 9501 1 19 . 1 1 88 88 GLU C C 413 179.469 179.469 178.379 1.090 17685 9502 1 19 . 1 1 88 88 GLU CA C 413 59.720 59.720 59.490 0.230 17685 9503 1 19 . 1 1 88 88 GLU CB C 413 29.021 29.021 29.052 -0.031 17685 9504 1 19 . 1 1 88 88 GLU H H 413 7.882 7.882 7.533 0.349 17685 9505 1 19 . 1 1 89 89 SER N N 414 116.823 116.823 115.995 0.828 17685 9506 1 19 . 1 1 89 89 SER HA H 414 3.765 3.765 4.104 -0.339 17685 9507 1 19 . 1 1 89 89 SER C C 414 176.091 176.091 176.780 -0.689 17685 9508 1 19 . 1 1 89 89 SER CA C 414 63.550 63.550 61.442 2.108 17685 9509 1 19 . 1 1 89 89 SER CB C 414 63.718 63.718 63.098 0.620 17685 9510 1 19 . 1 1 89 89 SER H H 414 8.296 8.296 7.916 0.380 17685 9511 1 19 . 1 1 90 90 ALA N N 415 123.230 123.230 125.158 -1.928 17685 9512 1 19 . 1 1 90 90 ALA HA H 415 3.831 3.831 3.894 -0.063 17685 9513 1 19 . 1 1 90 90 ALA C C 415 177.963 177.963 179.247 -1.284 17685 9514 1 19 . 1 1 90 90 ALA CA C 415 55.415 55.415 55.249 0.166 17685 9515 1 19 . 1 1 90 90 ALA CB C 415 19.432 19.432 18.360 1.072 17685 9516 1 19 . 1 1 90 90 ALA H H 415 8.805 8.805 8.506 0.299 17685 9517 1 19 . 1 1 91 91 LYS N N 416 117.753 117.753 117.048 0.705 17685 9518 1 19 . 1 1 91 91 LYS HA H 416 3.972 3.972 4.140 -0.168 17685 9519 1 19 . 1 1 91 91 LYS C C 416 178.198 178.198 178.972 -0.774 17685 9520 1 19 . 1 1 91 91 LYS CA C 416 59.817 59.817 58.890 0.927 17685 9521 1 19 . 1 1 91 91 LYS CB C 416 32.247 32.247 32.096 0.151 17685 9522 1 19 . 1 1 91 91 LYS H H 416 8.085 8.085 8.042 0.043 17685 9523 1 19 . 1 1 92 92 THR N N 417 114.597 114.597 116.491 -1.894 17685 9524 1 19 . 1 1 92 92 THR HA H 417 4.075 4.075 4.168 -0.093 17685 9525 1 19 . 1 1 92 92 THR C C 417 177.541 177.541 175.993 1.548 17685 9526 1 19 . 1 1 92 92 THR CA C 417 66.473 66.473 66.051 0.422 17685 9527 1 19 . 1 1 92 92 THR CB C 417 69.070 69.070 68.475 0.594 17685 9528 1 19 . 1 1 92 92 THR H H 417 7.923 7.923 7.312 0.611 17685 9529 1 19 . 1 1 93 93 ILE N N 418 124.160 124.160 122.650 1.510 17685 9530 1 19 . 1 1 93 93 ILE HA H 418 3.662 3.662 3.756 -0.094 17685 9531 1 19 . 1 1 93 93 ILE C C 418 178.114 178.114 177.577 0.537 17685 9532 1 19 . 1 1 93 93 ILE CA C 418 65.626 65.626 66.082 -0.456 17685 9533 1 19 . 1 1 93 93 ILE CB C 418 38.297 38.297 37.730 0.567 17685 9534 1 19 . 1 1 93 93 ILE H H 418 7.984 7.984 7.954 0.030 17685 9535 1 19 . 1 1 94 94 VAL N N 419 121.566 121.566 120.209 1.357 17685 9536 1 19 . 1 1 94 94 VAL HA H 419 4.156 4.156 4.025 0.131 17685 9537 1 19 . 1 1 94 94 VAL C C 419 181.424 181.424 178.208 3.216 17685 9538 1 19 . 1 1 94 94 VAL CA C 419 65.808 65.808 65.214 0.594 17685 9539 1 19 . 1 1 94 94 VAL CB C 419 31.892 31.892 32.087 -0.195 17685 9540 1 19 . 1 1 94 94 VAL H H 419 8.551 8.551 7.956 0.595 17685 9541 1 19 . 1 1 95 95 ASP N N 420 123.788 123.788 120.838 2.950 17685 9542 1 19 . 1 1 95 95 ASP HA H 420 4.477 4.477 4.486 -0.009 17685 9543 1 19 . 1 1 95 95 ASP C C 420 178.220 178.220 177.107 1.113 17685 9544 1 19 . 1 1 95 95 ASP CA C 420 57.548 57.548 56.575 0.973 17685 9545 1 19 . 1 1 95 95 ASP CB C 420 39.850 39.850 40.893 -1.043 17685 9546 1 19 . 1 1 95 95 ASP H H 420 9.354 9.354 8.101 1.253 17685 9547 1 19 . 1 1 96 96 SER N N 421 111.960 111.960 112.555 -0.595 17685 9548 1 19 . 1 1 96 96 SER HA H 421 4.526 4.526 4.638 -0.112 17685 9549 1 19 . 1 1 96 96 SER C C 421 175.345 175.345 174.037 1.308 17685 9550 1 19 . 1 1 96 96 SER CA C 421 59.433 59.433 57.878 1.555 17685 9551 1 19 . 1 1 96 96 SER CB C 421 64.264 64.264 64.303 -0.039 17685 9552 1 19 . 1 1 96 96 SER H H 421 7.862 7.862 7.383 0.479 17685 9553 1 19 . 1 1 97 97 GLY N N 422 110.240 110.240 109.528 0.712 17685 9554 1 19 . 1 1 97 97 GLY C C 422 175.158 175.158 175.279 -0.121 17685 9555 1 19 . 1 1 97 97 GLY CA C 422 45.606 45.606 46.366 -0.760 17685 9556 1 19 . 1 1 97 97 GLY H H 422 8.063 8.063 7.778 0.285 17685 9557 1 19 . 1 1 98 98 LYS N N 423 120.213 120.213 118.875 1.338 17685 9558 1 19 . 1 1 98 98 LYS HA H 423 4.083 4.083 4.201 -0.118 17685 9559 1 19 . 1 1 98 98 LYS C C 423 176.681 176.681 176.478 0.203 17685 9560 1 19 . 1 1 98 98 LYS CA C 423 59.417 59.417 58.046 1.371 17685 9561 1 19 . 1 1 98 98 LYS CB C 423 33.453 33.453 33.374 0.079 17685 9562 1 19 . 1 1 98 98 LYS H H 423 7.992 7.992 8.123 -0.131 17685 9563 1 19 . 1 1 99 99 LEU N N 424 114.357 114.357 120.281 -5.924 17685 9564 1 19 . 1 1 99 99 LEU HA H 424 4.848 4.848 4.789 0.059 17685 9565 1 19 . 1 1 99 99 LEU C C 424 174.161 174.161 173.955 0.206 17685 9566 1 19 . 1 1 99 99 LEU CA C 424 52.225 52.225 51.678 0.547 17685 9567 1 19 . 1 1 99 99 LEU CB C 424 46.075 46.075 44.328 1.746 17685 9568 1 19 . 1 1 99 99 LEU H H 424 6.865 6.865 7.322 -0.457 17685 9569 1 19 . 1 1 100 100 PRO HA H 425 4.650 4.650 4.619 0.031 17685 9570 1 19 . 1 1 100 100 PRO C C 425 177.559 177.559 178.235 -0.676 17685 9571 1 19 . 1 1 100 100 PRO CA C 425 61.643 61.643 62.512 -0.869 17685 9572 1 19 . 1 1 100 100 PRO CB C 425 32.422 32.422 32.386 0.036 17685 9573 1 19 . 1 1 101 101 SER N N 426 117.043 117.043 119.543 -2.500 17685 9574 1 19 . 1 1 101 101 SER HA H 426 3.824 3.824 4.084 -0.260 17685 9575 1 19 . 1 1 101 101 SER C C 426 177.202 177.202 176.099 1.103 17685 9576 1 19 . 1 1 101 101 SER CA C 426 61.708 61.708 61.933 -0.225 17685 9577 1 19 . 1 1 101 101 SER CB C 426 62.706 62.706 62.538 0.168 17685 9578 1 19 . 1 1 101 101 SER H H 426 8.999 8.999 8.808 0.191 17685 9579 1 19 . 1 1 102 102 SER N N 427 114.761 114.761 118.187 -3.426 17685 9580 1 19 . 1 1 102 102 SER HA H 427 4.112 4.112 4.395 -0.283 17685 9581 1 19 . 1 1 102 102 SER C C 427 176.526 176.526 175.541 0.985 17685 9582 1 19 . 1 1 102 102 SER CA C 427 60.650 60.650 60.997 -0.347 17685 9583 1 19 . 1 1 102 102 SER CB C 427 62.213 62.213 62.931 -0.718 17685 9584 1 19 . 1 1 102 102 SER H H 427 8.115 8.115 8.560 -0.445 17685 9585 1 19 . 1 1 103 103 LEU N N 428 120.408 120.408 119.685 0.723 17685 9586 1 19 . 1 1 103 103 LEU HA H 428 4.435 4.435 4.330 0.105 17685 9587 1 19 . 1 1 103 103 LEU C C 428 176.698 176.698 176.049 0.649 17685 9588 1 19 . 1 1 103 103 LEU CA C 428 55.847 55.847 56.180 -0.333 17685 9589 1 19 . 1 1 103 103 LEU CB C 428 42.586 42.586 42.040 0.546 17685 9590 1 19 . 1 1 103 103 LEU H H 428 7.320 7.320 7.817 -0.497 17685 9591 1 19 . 1 1 104 104 LEU N N 429 117.860 117.860 117.109 0.751 17685 9592 1 19 . 1 1 104 104 LEU HA H 429 4.995 4.995 4.719 0.276 17685 9593 1 19 . 1 1 104 104 LEU C C 429 178.320 178.320 178.375 -0.055 17685 9594 1 19 . 1 1 104 104 LEU CA C 429 52.672 52.672 55.354 -2.682 17685 9595 1 19 . 1 1 104 104 LEU CB C 429 43.039 43.039 42.263 0.776 17685 9596 1 19 . 1 1 104 104 LEU H H 429 7.325 7.325 7.752 -0.427 17685 9597 1 19 . 1 1 105 105 SER N N 430 112.664 112.664 112.668 -0.004 17685 9598 1 19 . 1 1 105 105 SER HA H 430 4.259 4.259 4.341 -0.082 17685 9599 1 19 . 1 1 105 105 SER C C 430 175.288 175.288 175.966 -0.678 17685 9600 1 19 . 1 1 105 105 SER CA C 430 61.247 61.247 61.202 0.045 17685 9601 1 19 . 1 1 105 105 SER CB C 430 64.058 64.058 61.171 2.887 17685 9602 1 19 . 1 1 105 105 SER H H 430 6.990 6.990 8.343 -1.353 17685 9603 1 19 . 1 1 106 106 TYR N N 431 125.624 125.624 122.715 2.909 17685 9604 1 19 . 1 1 106 106 TYR HA H 431 4.060 4.060 4.084 -0.024 17685 9605 1 19 . 1 1 106 106 TYR C C 431 176.064 176.064 175.495 0.569 17685 9606 1 19 . 1 1 106 106 TYR CA C 431 61.449 61.449 61.008 0.441 17685 9607 1 19 . 1 1 106 106 TYR CB C 431 38.282 38.282 38.562 -0.280 17685 9608 1 19 . 1 1 106 106 TYR H H 431 10.433 10.433 8.010 2.423 17685 9609 1 19 . 1 1 107 107 PHE N N 432 113.203 113.203 112.362 0.841 17685 9610 1 19 . 1 1 107 107 PHE HA H 432 4.314 4.314 4.578 -0.264 17685 9611 1 19 . 1 1 107 107 PHE C C 432 173.901 173.901 174.888 -0.987 17685 9612 1 19 . 1 1 107 107 PHE CA C 432 59.810 59.810 58.405 1.405 17685 9613 1 19 . 1 1 107 107 PHE CB C 432 43.249 43.249 39.110 4.139 17685 9614 1 19 . 1 1 107 107 PHE H H 432 7.955 7.955 8.212 -0.257 17685 9615 1 20 . 1 1 22 22 SER N N 347 116.741 116.741 119.296 -2.555 17685 9616 1 20 . 1 1 22 22 SER HA H 347 4.355 4.355 4.310 0.045 17685 9617 1 20 . 1 1 22 22 SER C C 347 176.272 176.272 176.133 0.139 17685 9618 1 20 . 1 1 22 22 SER CA C 347 59.651 59.651 59.634 0.017 17685 9619 1 20 . 1 1 22 22 SER CB C 347 63.231 63.231 63.856 -0.625 17685 9620 1 20 . 1 1 22 22 SER H H 347 8.311 8.311 8.655 -0.344 17685 9621 1 20 . 1 1 23 23 LYS N N 348 124.398 124.398 122.067 2.331 17685 9622 1 20 . 1 1 23 23 LYS HA H 348 4.142 4.142 4.240 -0.098 17685 9623 1 20 . 1 1 23 23 LYS C C 348 178.743 178.743 178.669 0.074 17685 9624 1 20 . 1 1 23 23 LYS CA C 348 59.304 59.304 58.544 0.761 17685 9625 1 20 . 1 1 23 23 LYS CB C 348 32.301 32.301 31.750 0.551 17685 9626 1 20 . 1 1 23 23 LYS H H 348 8.611 8.611 8.234 0.377 17685 9627 1 20 . 1 1 24 24 ALA N N 349 122.494 122.494 121.087 1.407 17685 9628 1 20 . 1 1 24 24 ALA HA H 349 4.137 4.137 4.299 -0.162 17685 9629 1 20 . 1 1 24 24 ALA C C 349 179.869 179.869 179.479 0.390 17685 9630 1 20 . 1 1 24 24 ALA CA C 349 54.811 54.811 54.604 0.207 17685 9631 1 20 . 1 1 24 24 ALA CB C 349 18.284 18.284 17.941 0.343 17685 9632 1 20 . 1 1 24 24 ALA H H 349 8.245 8.245 8.210 0.035 17685 9633 1 20 . 1 1 25 25 ALA N N 350 121.576 121.576 121.266 0.310 17685 9634 1 20 . 1 1 25 25 ALA HA H 350 4.136 4.136 4.017 0.119 17685 9635 1 20 . 1 1 25 25 ALA C C 350 178.743 178.743 179.193 -0.450 17685 9636 1 20 . 1 1 25 25 ALA CA C 350 54.632 54.632 54.946 -0.314 17685 9637 1 20 . 1 1 25 25 ALA CB C 350 18.299 18.299 18.223 0.076 17685 9638 1 20 . 1 1 25 25 ALA H H 350 8.014 8.014 7.689 0.325 17685 9639 1 20 . 1 1 26 26 LYS N N 351 119.618 119.618 119.817 -0.199 17685 9640 1 20 . 1 1 26 26 LYS HA H 351 4.196 4.196 4.011 0.185 17685 9641 1 20 . 1 1 26 26 LYS C C 351 178.485 178.485 178.485 0.000 17685 9642 1 20 . 1 1 26 26 LYS CA C 351 60.014 60.014 59.827 0.187 17685 9643 1 20 . 1 1 26 26 LYS CB C 351 32.511 32.511 32.287 0.224 17685 9644 1 20 . 1 1 26 26 LYS H H 351 7.831 7.831 8.273 -0.442 17685 9645 1 20 . 1 1 27 27 LYS N N 352 118.080 118.080 118.326 -0.246 17685 9646 1 20 . 1 1 27 27 LYS HA H 352 3.958 3.958 3.962 -0.004 17685 9647 1 20 . 1 1 27 27 LYS C C 352 179.564 179.564 179.140 0.424 17685 9648 1 20 . 1 1 27 27 LYS CA C 352 60.092 60.092 59.564 0.528 17685 9649 1 20 . 1 1 27 27 LYS CB C 352 32.550 32.550 32.357 0.193 17685 9650 1 20 . 1 1 27 27 LYS H H 352 7.905 7.905 7.529 0.376 17685 9651 1 20 . 1 1 28 28 LYS N N 353 119.878 119.878 119.315 0.563 17685 9652 1 20 . 1 1 28 28 LYS HA H 353 4.023 4.023 4.025 -0.002 17685 9653 1 20 . 1 1 28 28 LYS C C 353 179.270 179.270 179.218 0.052 17685 9654 1 20 . 1 1 28 28 LYS CA C 353 59.806 59.806 58.758 1.048 17685 9655 1 20 . 1 1 28 28 LYS CB C 353 32.324 32.324 32.077 0.247 17685 9656 1 20 . 1 1 28 28 LYS H H 353 7.934 7.934 7.586 0.348 17685 9657 1 20 . 1 1 29 29 ASN N N 354 119.780 119.780 117.978 1.802 17685 9658 1 20 . 1 1 29 29 ASN HA H 354 4.557 4.557 4.444 0.113 17685 9659 1 20 . 1 1 29 29 ASN C C 354 177.395 177.395 177.616 -0.221 17685 9660 1 20 . 1 1 29 29 ASN CA C 354 56.167 56.167 55.720 0.447 17685 9661 1 20 . 1 1 29 29 ASN CB C 354 37.928 37.928 38.085 -0.157 17685 9662 1 20 . 1 1 29 29 ASN H H 354 8.524 8.524 8.624 -0.100 17685 9663 1 20 . 1 1 30 30 LYS N N 355 118.850 118.850 119.297 -0.447 17685 9664 1 20 . 1 1 30 30 LYS HA H 355 3.820 3.820 3.922 -0.102 17685 9665 1 20 . 1 1 30 30 LYS C C 355 178.266 178.266 178.804 -0.538 17685 9666 1 20 . 1 1 30 30 LYS CA C 355 61.698 61.698 59.875 1.823 17685 9667 1 20 . 1 1 30 30 LYS CB C 355 33.000 33.000 32.144 0.856 17685 9668 1 20 . 1 1 30 30 LYS H H 355 8.599 8.599 8.660 -0.061 17685 9669 1 20 . 1 1 31 31 ARG N N 356 118.226 118.226 119.395 -1.169 17685 9670 1 20 . 1 1 31 31 ARG HA H 356 3.940 3.940 3.987 -0.047 17685 9671 1 20 . 1 1 31 31 ARG C C 356 177.676 177.676 178.000 -0.324 17685 9672 1 20 . 1 1 31 31 ARG CA C 356 59.316 59.316 59.115 0.201 17685 9673 1 20 . 1 1 31 31 ARG CB C 356 30.266 30.266 30.117 0.149 17685 9674 1 20 . 1 1 31 31 ARG H H 356 7.809 7.809 7.603 0.206 17685 9675 1 20 . 1 1 32 32 ALA N N 357 120.780 120.780 123.123 -2.343 17685 9676 1 20 . 1 1 32 32 ALA HA H 357 4.104 4.104 4.066 0.038 17685 9677 1 20 . 1 1 32 32 ALA C C 357 181.157 181.157 179.944 1.213 17685 9678 1 20 . 1 1 32 32 ALA CA C 357 55.118 55.118 55.026 0.092 17685 9679 1 20 . 1 1 32 32 ALA CB C 357 18.064 18.064 18.264 -0.200 17685 9680 1 20 . 1 1 32 32 ALA H H 357 8.155 8.155 7.930 0.225 17685 9681 1 20 . 1 1 33 33 ILE N N 358 116.468 116.468 116.906 -0.438 17685 9682 1 20 . 1 1 33 33 ILE HA H 358 3.590 3.590 3.700 -0.110 17685 9683 1 20 . 1 1 33 33 ILE C C 358 179.458 179.458 178.048 1.410 17685 9684 1 20 . 1 1 33 33 ILE CA C 358 65.775 65.775 63.198 2.577 17685 9685 1 20 . 1 1 33 33 ILE CB C 358 38.592 38.592 36.787 1.805 17685 9686 1 20 . 1 1 33 33 ILE H H 358 7.929 7.929 8.311 -0.382 17685 9687 1 20 . 1 1 34 34 ARG N N 359 119.937 119.937 119.931 0.006 17685 9688 1 20 . 1 1 34 34 ARG HA H 359 3.998 3.998 3.975 0.023 17685 9689 1 20 . 1 1 34 34 ARG C C 359 179.124 179.124 179.047 0.077 17685 9690 1 20 . 1 1 34 34 ARG CA C 359 60.029 60.029 60.062 -0.033 17685 9691 1 20 . 1 1 34 34 ARG CB C 359 30.576 30.576 29.694 0.882 17685 9692 1 20 . 1 1 34 34 ARG H H 359 8.672 8.672 7.502 1.170 17685 9693 1 20 . 1 1 35 35 ASN N N 360 116.359 116.359 118.135 -1.776 17685 9694 1 20 . 1 1 35 35 ASN HA H 360 4.575 4.575 4.471 0.104 17685 9695 1 20 . 1 1 35 35 ASN C C 360 175.723 175.723 176.727 -1.004 17685 9696 1 20 . 1 1 35 35 ASN CA C 360 54.215 54.215 56.149 -1.934 17685 9697 1 20 . 1 1 35 35 ASN CB C 360 38.575 38.575 38.324 0.251 17685 9698 1 20 . 1 1 35 35 ASN H H 360 8.454 8.454 7.900 0.554 17685 9699 1 20 . 1 1 36 36 SER N N 361 115.734 115.734 116.215 -0.481 17685 9700 1 20 . 1 1 36 36 SER HA H 361 3.995 3.995 4.200 -0.205 17685 9701 1 20 . 1 1 36 36 SER C C 361 176.129 176.129 176.005 0.124 17685 9702 1 20 . 1 1 36 36 SER CA C 361 62.349 62.349 62.015 0.334 17685 9703 1 20 . 1 1 36 36 SER CB C 361 63.664 63.664 62.913 0.751 17685 9704 1 20 . 1 1 36 36 SER H H 361 7.617 7.617 7.874 -0.257 17685 9705 1 20 . 1 1 37 37 ALA N N 362 124.421 124.421 123.554 0.867 17685 9706 1 20 . 1 1 37 37 ALA HA H 362 3.770 3.770 3.779 -0.009 17685 9707 1 20 . 1 1 37 37 ALA C C 362 178.482 178.482 177.897 0.585 17685 9708 1 20 . 1 1 37 37 ALA CA C 362 54.821 54.821 53.918 0.903 17685 9709 1 20 . 1 1 37 37 ALA CB C 362 18.347 18.347 18.070 0.277 17685 9710 1 20 . 1 1 37 37 ALA H H 362 6.868 6.868 7.681 -0.813 17685 9711 1 20 . 1 1 38 38 LYS N N 363 122.319 122.319 116.350 5.969 17685 9712 1 20 . 1 1 38 38 LYS HA H 363 2.913 2.913 4.048 -1.135 17685 9713 1 20 . 1 1 38 38 LYS C C 363 180.669 180.669 179.309 1.360 17685 9714 1 20 . 1 1 38 38 LYS CA C 363 59.567 59.567 58.967 0.601 17685 9715 1 20 . 1 1 38 38 LYS CB C 363 31.563 31.563 32.216 -0.653 17685 9716 1 20 . 1 1 38 38 LYS H H 363 8.317 8.317 7.184 1.133 17685 9717 1 20 . 1 1 39 39 GLU N N 364 118.666 118.666 117.876 0.790 17685 9718 1 20 . 1 1 39 39 GLU HA H 364 4.015 4.015 4.219 -0.204 17685 9719 1 20 . 1 1 39 39 GLU C C 364 176.609 176.609 178.394 -1.785 17685 9720 1 20 . 1 1 39 39 GLU CA C 364 58.674 58.674 58.231 0.443 17685 9721 1 20 . 1 1 39 39 GLU CB C 364 29.058 29.058 29.833 -0.775 17685 9722 1 20 . 1 1 39 39 GLU H H 364 7.935 7.935 8.020 -0.085 17685 9723 1 20 . 1 1 40 40 ALA N N 365 121.145 121.145 120.233 0.912 17685 9724 1 20 . 1 1 40 40 ALA HA H 365 4.663 4.663 4.495 0.168 17685 9725 1 20 . 1 1 40 40 ALA C C 365 177.688 177.688 176.022 1.666 17685 9726 1 20 . 1 1 40 40 ALA CA C 365 50.931 50.931 51.058 -0.127 17685 9727 1 20 . 1 1 40 40 ALA CB C 365 18.566 18.566 19.764 -1.198 17685 9728 1 20 . 1 1 40 40 ALA H H 365 7.049 7.049 7.959 -0.910 17685 9729 1 20 . 1 1 41 41 ASP N N 366 121.103 121.103 117.010 4.093 17685 9730 1 20 . 1 1 41 41 ASP HA H 366 4.338 4.338 4.267 0.071 17685 9731 1 20 . 1 1 41 41 ASP C C 366 175.644 175.644 174.812 0.832 17685 9732 1 20 . 1 1 41 41 ASP CA C 366 55.898 55.898 54.508 1.390 17685 9733 1 20 . 1 1 41 41 ASP CB C 366 39.353 39.353 40.791 -1.438 17685 9734 1 20 . 1 1 41 41 ASP H H 366 8.099 8.099 7.322 0.777 17685 9735 1 20 . 1 1 42 42 TYR N N 367 110.700 110.700 121.071 -10.371 17685 9736 1 20 . 1 1 42 42 TYR HA H 367 2.485 2.485 3.928 -1.443 17685 9737 1 20 . 1 1 42 42 TYR C C 367 174.307 174.307 175.979 -1.672 17685 9738 1 20 . 1 1 42 42 TYR CA C 367 61.064 61.064 58.420 2.643 17685 9739 1 20 . 1 1 42 42 TYR CB C 367 34.242 34.242 38.190 -3.948 17685 9740 1 20 . 1 1 42 42 TYR H H 367 8.364 8.364 8.801 -0.437 17685 9741 1 20 . 1 1 43 43 PHE N N 368 111.305 111.305 114.980 -3.675 17685 9742 1 20 . 1 1 43 43 PHE HA H 368 4.666 4.666 4.279 0.387 17685 9743 1 20 . 1 1 43 43 PHE C C 368 177.162 177.162 176.246 0.916 17685 9744 1 20 . 1 1 43 43 PHE CA C 368 56.561 56.561 58.432 -1.871 17685 9745 1 20 . 1 1 43 43 PHE CB C 368 36.514 36.514 35.898 0.616 17685 9746 1 20 . 1 1 43 43 PHE H H 368 7.666 7.666 8.122 -0.456 17685 9747 1 20 . 1 1 44 44 GLY N N 369 106.300 106.300 105.020 1.280 17685 9748 1 20 . 1 1 44 44 GLY C C 369 174.446 174.446 174.282 0.164 17685 9749 1 20 . 1 1 44 44 GLY CA C 369 45.780 45.780 45.083 0.697 17685 9750 1 20 . 1 1 44 44 GLY H H 369 7.671 7.671 8.217 -0.546 17685 9751 1 20 . 1 1 45 45 ASP N N 370 122.876 122.876 120.782 2.094 17685 9752 1 20 . 1 1 45 45 ASP HA H 370 5.323 5.323 5.157 0.166 17685 9753 1 20 . 1 1 45 45 ASP C C 370 176.360 176.360 176.247 0.113 17685 9754 1 20 . 1 1 45 45 ASP CA C 370 53.322 53.322 53.694 -0.372 17685 9755 1 20 . 1 1 45 45 ASP CB C 370 41.391 41.391 41.584 -0.193 17685 9756 1 20 . 1 1 45 45 ASP H H 370 8.331 8.331 7.887 0.444 17685 9757 1 20 . 1 1 46 46 ALA N N 371 121.771 121.771 123.257 -1.486 17685 9758 1 20 . 1 1 46 46 ALA HA H 371 3.600 3.600 3.664 -0.064 17685 9759 1 20 . 1 1 46 46 ALA C C 371 179.111 179.111 178.515 0.596 17685 9760 1 20 . 1 1 46 46 ALA CA C 371 56.038 56.038 54.549 1.489 17685 9761 1 20 . 1 1 46 46 ALA CB C 371 17.942 17.942 18.542 -0.600 17685 9762 1 20 . 1 1 46 46 ALA H H 371 8.282 8.282 8.396 -0.114 17685 9763 1 20 . 1 1 47 47 ASP N N 372 116.273 116.273 118.040 -1.767 17685 9764 1 20 . 1 1 47 47 ASP HA H 372 4.359 4.359 4.359 -0.000 17685 9765 1 20 . 1 1 47 47 ASP C C 372 177.019 177.019 177.400 -0.381 17685 9766 1 20 . 1 1 47 47 ASP CA C 372 55.832 55.832 56.511 -0.679 17685 9767 1 20 . 1 1 47 47 ASP CB C 372 39.190 39.190 40.417 -1.227 17685 9768 1 20 . 1 1 47 47 ASP H H 372 9.068 9.068 8.652 0.416 17685 9769 1 20 . 1 1 48 48 LYS N N 373 120.180 120.180 116.820 3.360 17685 9770 1 20 . 1 1 48 48 LYS HA H 373 4.723 4.723 4.606 0.117 17685 9771 1 20 . 1 1 48 48 LYS C C 373 175.542 175.542 175.905 -0.363 17685 9772 1 20 . 1 1 48 48 LYS CA C 373 54.787 54.787 54.404 0.383 17685 9773 1 20 . 1 1 48 48 LYS CB C 373 32.179 32.179 31.094 1.085 17685 9774 1 20 . 1 1 48 48 LYS H H 373 8.050 8.050 7.624 0.426 17685 9775 1 20 . 1 1 49 49 ALA N N 374 122.498 122.498 123.978 -1.480 17685 9776 1 20 . 1 1 49 49 ALA HA H 374 3.068 3.068 4.025 -0.957 17685 9777 1 20 . 1 1 49 49 ALA C C 374 177.781 177.781 178.854 -1.073 17685 9778 1 20 . 1 1 49 49 ALA CA C 374 56.962 56.962 56.199 0.763 17685 9779 1 20 . 1 1 49 49 ALA CB C 374 17.855 17.855 18.097 -0.242 17685 9780 1 20 . 1 1 49 49 ALA H H 374 7.045 7.045 7.459 -0.414 17685 9781 1 20 . 1 1 50 50 THR N N 375 108.573 108.573 112.332 -3.759 17685 9782 1 20 . 1 1 50 50 THR HA H 375 4.044 4.044 4.082 -0.038 17685 9783 1 20 . 1 1 50 50 THR C C 375 177.647 177.647 176.338 1.309 17685 9784 1 20 . 1 1 50 50 THR CA C 375 66.201 66.201 67.876 -1.675 17685 9785 1 20 . 1 1 50 50 THR CB C 375 68.334 68.334 67.968 0.366 17685 9786 1 20 . 1 1 50 50 THR H H 375 8.285 8.285 8.292 -0.007 17685 9787 1 20 . 1 1 51 51 THR N N 376 120.018 120.018 119.700 0.318 17685 9788 1 20 . 1 1 51 51 THR HA H 376 4.147 4.147 4.296 -0.149 17685 9789 1 20 . 1 1 51 51 THR C C 376 175.499 175.499 176.973 -1.474 17685 9790 1 20 . 1 1 51 51 THR CA C 376 66.145 66.145 66.824 -0.679 17685 9791 1 20 . 1 1 51 51 THR CB C 376 69.382 69.382 68.482 0.900 17685 9792 1 20 . 1 1 51 51 THR H H 376 7.359 7.359 7.989 -0.630 17685 9793 1 20 . 1 1 52 52 ILE N N 377 122.319 122.319 122.280 0.039 17685 9794 1 20 . 1 1 52 52 ILE HA H 377 3.168 3.168 3.560 -0.392 17685 9795 1 20 . 1 1 52 52 ILE C C 377 177.879 177.879 177.574 0.305 17685 9796 1 20 . 1 1 52 52 ILE CA C 377 67.070 67.070 65.863 1.207 17685 9797 1 20 . 1 1 52 52 ILE CB C 377 38.257 38.257 37.498 0.759 17685 9798 1 20 . 1 1 52 52 ILE H H 377 8.346 8.346 8.614 -0.268 17685 9799 1 20 . 1 1 53 53 ASP N N 378 117.696 117.696 120.081 -2.385 17685 9800 1 20 . 1 1 53 53 ASP HA H 378 4.739 4.739 4.279 0.460 17685 9801 1 20 . 1 1 53 53 ASP C C 378 180.094 180.094 178.928 1.166 17685 9802 1 20 . 1 1 53 53 ASP CA C 378 58.044 58.044 58.286 -0.242 17685 9803 1 20 . 1 1 53 53 ASP CB C 378 39.648 39.648 40.622 -0.974 17685 9804 1 20 . 1 1 53 53 ASP H H 378 8.991 8.991 8.354 0.637 17685 9805 1 20 . 1 1 54 54 GLU N N 379 121.956 121.956 120.151 1.805 17685 9806 1 20 . 1 1 54 54 GLU HA H 379 4.174 4.174 3.999 0.175 17685 9807 1 20 . 1 1 54 54 GLU C C 379 179.679 179.679 179.283 0.396 17685 9808 1 20 . 1 1 54 54 GLU CA C 379 59.572 59.572 59.409 0.163 17685 9809 1 20 . 1 1 54 54 GLU CB C 379 29.324 29.324 29.567 -0.243 17685 9810 1 20 . 1 1 54 54 GLU H H 379 7.946 7.946 7.846 0.100 17685 9811 1 20 . 1 1 55 55 GLN N N 380 120.733 120.733 118.830 1.903 17685 9812 1 20 . 1 1 55 55 GLN HA H 380 4.171 4.171 4.161 0.010 17685 9813 1 20 . 1 1 55 55 GLN C C 380 178.288 178.288 178.869 -0.581 17685 9814 1 20 . 1 1 55 55 GLN CA C 380 59.994 59.994 58.659 1.335 17685 9815 1 20 . 1 1 55 55 GLN CB C 380 29.566 29.566 28.726 0.840 17685 9816 1 20 . 1 1 55 55 GLN H H 380 8.357 8.357 8.303 0.054 17685 9817 1 20 . 1 1 56 56 VAL N N 381 120.353 120.353 119.157 1.196 17685 9818 1 20 . 1 1 56 56 VAL HA H 381 3.536 3.536 3.619 -0.083 17685 9819 1 20 . 1 1 56 56 VAL C C 381 178.220 178.220 178.241 -0.021 17685 9820 1 20 . 1 1 56 56 VAL CA C 381 67.557 67.557 66.325 1.232 17685 9821 1 20 . 1 1 56 56 VAL CB C 381 31.349 31.349 30.704 0.645 17685 9822 1 20 . 1 1 56 56 VAL H H 381 9.484 9.484 8.657 0.827 17685 9823 1 20 . 1 1 57 57 GLY N N 382 106.926 106.926 108.049 -1.123 17685 9824 1 20 . 1 1 57 57 GLY C C 382 174.843 174.843 176.389 -1.546 17685 9825 1 20 . 1 1 57 57 GLY CA C 382 47.694 47.694 47.303 0.391 17685 9826 1 20 . 1 1 57 57 GLY H H 382 8.169 8.169 8.027 0.142 17685 9827 1 20 . 1 1 58 58 LEU N N 383 120.610 120.610 122.507 -1.897 17685 9828 1 20 . 1 1 58 58 LEU HA H 383 4.151 4.151 3.968 0.183 17685 9829 1 20 . 1 1 58 58 LEU C C 383 180.087 180.087 179.037 1.050 17685 9830 1 20 . 1 1 58 58 LEU CA C 383 57.974 57.974 57.728 0.245 17685 9831 1 20 . 1 1 58 58 LEU CB C 383 42.125 42.125 41.690 0.435 17685 9832 1 20 . 1 1 58 58 LEU H H 383 7.568 7.568 8.345 -0.777 17685 9833 1 20 . 1 1 59 59 ILE N N 384 120.213 120.213 119.384 0.829 17685 9834 1 20 . 1 1 59 59 ILE HA H 384 3.416 3.416 3.602 -0.186 17685 9835 1 20 . 1 1 59 59 ILE C C 384 178.310 178.310 178.515 -0.205 17685 9836 1 20 . 1 1 59 59 ILE CA C 384 66.069 66.069 65.385 0.684 17685 9837 1 20 . 1 1 59 59 ILE CB C 384 38.233 38.233 37.743 0.490 17685 9838 1 20 . 1 1 59 59 ILE H H 384 8.057 8.057 7.811 0.246 17685 9839 1 20 . 1 1 60 60 VAL N N 385 115.546 115.546 115.983 -0.437 17685 9840 1 20 . 1 1 60 60 VAL HA H 385 3.560 3.560 3.680 -0.120 17685 9841 1 20 . 1 1 60 60 VAL C C 385 177.921 177.921 177.704 0.217 17685 9842 1 20 . 1 1 60 60 VAL CA C 385 66.702 66.702 65.642 1.060 17685 9843 1 20 . 1 1 60 60 VAL CB C 385 31.565 31.565 31.523 0.042 17685 9844 1 20 . 1 1 60 60 VAL H H 385 8.672 8.672 8.164 0.508 17685 9845 1 20 . 1 1 61 61 ASP N N 386 117.831 117.831 120.200 -2.369 17685 9846 1 20 . 1 1 61 61 ASP HA H 386 4.571 4.571 4.487 0.084 17685 9847 1 20 . 1 1 61 61 ASP C C 386 177.238 177.238 177.343 -0.105 17685 9848 1 20 . 1 1 61 61 ASP CA C 386 56.184 56.184 56.506 -0.322 17685 9849 1 20 . 1 1 61 61 ASP CB C 386 40.632 40.632 41.159 -0.527 17685 9850 1 20 . 1 1 61 61 ASP H H 386 7.988 7.988 8.430 -0.442 17685 9851 1 20 . 1 1 62 62 SER N N 387 114.761 114.761 113.776 0.985 17685 9852 1 20 . 1 1 62 62 SER HA H 387 4.577 4.577 4.429 0.148 17685 9853 1 20 . 1 1 62 62 SER C C 387 173.645 173.645 174.114 -0.469 17685 9854 1 20 . 1 1 62 62 SER CA C 387 59.694 59.694 59.418 0.276 17685 9855 1 20 . 1 1 62 62 SER CB C 387 64.588 64.588 63.714 0.874 17685 9856 1 20 . 1 1 62 62 SER H H 387 7.755 7.755 7.647 0.108 17685 9857 1 20 . 1 1 63 63 LEU N N 388 121.610 121.610 120.630 0.980 17685 9858 1 20 . 1 1 63 63 LEU HA H 388 4.506 4.506 4.361 0.145 17685 9859 1 20 . 1 1 63 63 LEU C C 388 177.071 177.071 174.922 2.149 17685 9860 1 20 . 1 1 63 63 LEU CA C 388 54.490 54.490 53.781 0.710 17685 9861 1 20 . 1 1 63 63 LEU CB C 388 42.414 42.414 43.291 -0.877 17685 9862 1 20 . 1 1 63 63 LEU H H 388 7.083 7.083 7.049 0.034 17685 9863 1 20 . 1 1 64 64 ASN N N 389 122.154 122.154 116.282 5.872 17685 9864 1 20 . 1 1 64 64 ASN HA H 389 4.748 4.748 4.845 -0.097 17685 9865 1 20 . 1 1 64 64 ASN C C 389 175.144 175.144 175.129 0.015 17685 9866 1 20 . 1 1 64 64 ASN CA C 389 51.898 51.898 51.097 0.801 17685 9867 1 20 . 1 1 64 64 ASN CB C 389 37.762 37.762 39.999 -2.237 17685 9868 1 20 . 1 1 64 64 ASN H H 389 9.587 9.587 8.057 1.530 17685 9869 1 20 . 1 1 65 65 ASP N N 390 116.882 116.882 120.017 -3.135 17685 9870 1 20 . 1 1 65 65 ASP HA H 390 4.288 4.288 4.242 0.046 17685 9871 1 20 . 1 1 65 65 ASP C C 390 178.601 178.601 177.659 0.942 17685 9872 1 20 . 1 1 65 65 ASP CA C 390 58.992 58.992 58.035 0.957 17685 9873 1 20 . 1 1 65 65 ASP CB C 390 40.168 40.168 40.851 -0.683 17685 9874 1 20 . 1 1 65 65 ASP H H 390 8.504 8.504 8.833 -0.329 17685 9875 1 20 . 1 1 66 66 GLU N N 391 119.807 119.807 117.810 1.997 17685 9876 1 20 . 1 1 66 66 GLU HA H 391 4.048 4.048 4.039 0.009 17685 9877 1 20 . 1 1 66 66 GLU C C 391 179.549 179.549 179.159 0.390 17685 9878 1 20 . 1 1 66 66 GLU CA C 391 59.943 59.943 59.472 0.471 17685 9879 1 20 . 1 1 66 66 GLU CB C 391 29.119 29.119 29.391 -0.272 17685 9880 1 20 . 1 1 66 66 GLU H H 391 8.318 8.318 8.670 -0.352 17685 9881 1 20 . 1 1 67 67 GLU N N 392 121.747 121.747 119.717 2.030 17685 9882 1 20 . 1 1 67 67 GLU HA H 392 4.151 4.151 4.125 0.026 17685 9883 1 20 . 1 1 67 67 GLU C C 392 180.544 180.544 179.095 1.449 17685 9884 1 20 . 1 1 67 67 GLU CA C 392 58.307 58.307 58.491 -0.184 17685 9885 1 20 . 1 1 67 67 GLU CB C 392 30.933 30.933 29.267 1.666 17685 9886 1 20 . 1 1 67 67 GLU H H 392 8.709 8.709 7.845 0.864 17685 9887 1 20 . 1 1 68 68 LEU N N 393 123.523 123.523 120.872 2.651 17685 9888 1 20 . 1 1 68 68 LEU HA H 393 3.923 3.923 4.049 -0.126 17685 9889 1 20 . 1 1 68 68 LEU C C 393 178.151 178.151 179.537 -1.386 17685 9890 1 20 . 1 1 68 68 LEU CA C 393 58.642 58.642 58.092 0.550 17685 9891 1 20 . 1 1 68 68 LEU CB C 393 42.304 42.304 41.729 0.575 17685 9892 1 20 . 1 1 68 68 LEU H H 393 8.930 8.930 8.353 0.577 17685 9893 1 20 . 1 1 69 69 VAL N N 394 118.071 118.071 118.513 -0.442 17685 9894 1 20 . 1 1 69 69 VAL HA H 394 3.527 3.527 3.584 -0.057 17685 9895 1 20 . 1 1 69 69 VAL C C 394 177.701 177.701 177.963 -0.262 17685 9896 1 20 . 1 1 69 69 VAL CA C 394 66.494 66.494 66.793 -0.299 17685 9897 1 20 . 1 1 69 69 VAL CB C 394 32.103 32.103 31.342 0.761 17685 9898 1 20 . 1 1 69 69 VAL H H 394 7.304 7.304 8.346 -1.042 17685 9899 1 20 . 1 1 70 70 SER N N 395 112.686 112.686 115.010 -2.324 17685 9900 1 20 . 1 1 70 70 SER HA H 395 4.238 4.238 4.210 0.028 17685 9901 1 20 . 1 1 70 70 SER C C 395 177.618 177.618 176.629 0.989 17685 9902 1 20 . 1 1 70 70 SER CA C 395 61.410 61.410 61.627 -0.217 17685 9903 1 20 . 1 1 70 70 SER CB C 395 63.002 63.002 63.090 -0.089 17685 9904 1 20 . 1 1 70 70 SER H H 395 7.906 7.906 8.088 -0.182 17685 9905 1 20 . 1 1 71 71 THR N N 396 118.003 118.003 115.247 2.756 17685 9906 1 20 . 1 1 71 71 THR HA H 396 3.767 3.767 3.984 -0.217 17685 9907 1 20 . 1 1 71 71 THR C C 396 175.404 175.404 176.405 -1.001 17685 9908 1 20 . 1 1 71 71 THR CA C 396 67.763 67.763 65.407 2.356 17685 9909 1 20 . 1 1 71 71 THR CB C 396 68.498 68.498 68.790 -0.292 17685 9910 1 20 . 1 1 71 71 THR H H 396 8.511 8.511 8.229 0.282 17685 9911 1 20 . 1 1 72 72 ALA N N 397 123.373 123.373 125.181 -1.808 17685 9912 1 20 . 1 1 72 72 ALA HA H 397 3.857 3.857 3.858 -0.001 17685 9913 1 20 . 1 1 72 72 ALA C C 397 180.173 180.173 179.296 0.877 17685 9914 1 20 . 1 1 72 72 ALA CA C 397 56.079 56.079 55.267 0.812 17685 9915 1 20 . 1 1 72 72 ALA CB C 397 17.767 17.767 18.255 -0.488 17685 9916 1 20 . 1 1 72 72 ALA H H 397 8.268 8.268 7.901 0.367 17685 9917 1 20 . 1 1 73 73 ASP N N 398 118.963 118.963 118.122 0.841 17685 9918 1 20 . 1 1 73 73 ASP HA H 398 4.382 4.382 4.333 0.049 17685 9919 1 20 . 1 1 73 73 ASP C C 398 179.471 179.471 179.005 0.466 17685 9920 1 20 . 1 1 73 73 ASP CA C 398 57.692 57.692 57.630 0.062 17685 9921 1 20 . 1 1 73 73 ASP CB C 398 40.015 40.015 40.401 -0.386 17685 9922 1 20 . 1 1 73 73 ASP H H 398 8.585 8.585 8.735 -0.150 17685 9923 1 20 . 1 1 74 74 LYS N N 399 120.591 120.591 119.559 1.032 17685 9924 1 20 . 1 1 74 74 LYS HA H 399 4.050 4.050 4.134 -0.084 17685 9925 1 20 . 1 1 74 74 LYS C C 399 180.082 180.082 179.005 1.077 17685 9926 1 20 . 1 1 74 74 LYS CA C 399 60.001 60.001 58.863 1.138 17685 9927 1 20 . 1 1 74 74 LYS CB C 399 34.080 34.080 32.457 1.623 17685 9928 1 20 . 1 1 74 74 LYS H H 399 8.003 8.003 7.309 0.694 17685 9929 1 20 . 1 1 75 75 ILE N N 400 120.602 120.602 120.146 0.456 17685 9930 1 20 . 1 1 75 75 ILE HA H 400 3.687 3.687 3.894 -0.207 17685 9931 1 20 . 1 1 75 75 ILE C C 400 177.770 177.770 178.107 -0.337 17685 9932 1 20 . 1 1 75 75 ILE CA C 400 64.860 64.860 64.756 0.104 17685 9933 1 20 . 1 1 75 75 ILE CB C 400 38.253 38.253 37.827 0.426 17685 9934 1 20 . 1 1 75 75 ILE H H 400 7.877 7.877 8.089 -0.212 17685 9935 1 20 . 1 1 76 76 LYS N N 401 120.036 120.036 118.921 1.115 17685 9936 1 20 . 1 1 76 76 LYS HA H 401 4.032 4.032 4.115 -0.083 17685 9937 1 20 . 1 1 76 76 LYS C C 401 178.423 178.423 178.655 -0.232 17685 9938 1 20 . 1 1 76 76 LYS CA C 401 58.735 58.735 58.282 0.453 17685 9939 1 20 . 1 1 76 76 LYS CB C 401 32.325 32.325 31.647 0.678 17685 9940 1 20 . 1 1 76 76 LYS H H 401 8.260 8.260 7.949 0.311 17685 9941 1 20 . 1 1 77 77 ALA N N 402 118.655 118.655 121.121 -2.466 17685 9942 1 20 . 1 1 77 77 ALA HA H 402 4.205 4.205 4.172 0.033 17685 9943 1 20 . 1 1 77 77 ALA C C 402 177.949 177.949 177.911 0.038 17685 9944 1 20 . 1 1 77 77 ALA CA C 402 53.673 53.673 53.781 -0.108 17685 9945 1 20 . 1 1 77 77 ALA CB C 402 19.018 19.018 19.436 -0.418 17685 9946 1 20 . 1 1 77 77 ALA H H 402 7.564 7.564 7.544 0.020 17685 9947 1 20 . 1 1 78 78 ASN N N 403 113.964 113.964 114.751 -0.787 17685 9948 1 20 . 1 1 78 78 ASN HA H 403 4.841 4.841 4.780 0.061 17685 9949 1 20 . 1 1 78 78 ASN C C 403 174.866 174.866 174.925 -0.059 17685 9950 1 20 . 1 1 78 78 ASN CA C 403 52.485 52.485 53.404 -0.919 17685 9951 1 20 . 1 1 78 78 ASN CB C 403 37.659 37.659 39.528 -1.869 17685 9952 1 20 . 1 1 78 78 ASN H H 403 7.397 7.397 7.574 -0.177 17685 9953 1 20 . 1 1 79 79 ALA N N 404 131.057 131.057 129.107 1.950 17685 9954 1 20 . 1 1 79 79 ALA HA H 404 4.160 4.160 4.357 -0.197 17685 9955 1 20 . 1 1 79 79 ALA C C 404 180.575 180.575 178.752 1.823 17685 9956 1 20 . 1 1 79 79 ALA CA C 404 56.271 56.271 54.654 1.617 17685 9957 1 20 . 1 1 79 79 ALA CB C 404 18.357 18.357 18.971 -0.614 17685 9958 1 20 . 1 1 79 79 ALA H H 404 9.143 9.143 8.780 0.363 17685 9959 1 20 . 1 1 80 80 ALA N N 405 117.862 117.862 120.360 -2.498 17685 9960 1 20 . 1 1 80 80 ALA HA H 405 4.362 4.362 4.226 0.136 17685 9961 1 20 . 1 1 80 80 ALA C C 405 179.218 179.218 178.366 0.852 17685 9962 1 20 . 1 1 80 80 ALA CA C 405 53.931 53.931 53.885 0.047 17685 9963 1 20 . 1 1 80 80 ALA CB C 405 18.226 18.226 18.876 -0.650 17685 9964 1 20 . 1 1 80 80 ALA H H 405 8.315 8.315 7.936 0.379 17685 9965 1 20 . 1 1 81 81 GLY N N 406 106.895 106.895 104.479 2.416 17685 9966 1 20 . 1 1 81 81 GLY C C 406 175.175 175.175 174.586 0.589 17685 9967 1 20 . 1 1 81 81 GLY CA C 406 45.363 45.363 44.014 1.349 17685 9968 1 20 . 1 1 81 81 GLY H H 406 7.908 7.908 7.606 0.302 17685 9969 1 20 . 1 1 82 82 ALA N N 407 120.775 120.775 124.719 -3.944 17685 9970 1 20 . 1 1 82 82 ALA HA H 407 3.971 3.971 3.997 -0.026 17685 9971 1 20 . 1 1 82 82 ALA C C 407 177.879 177.879 178.453 -0.574 17685 9972 1 20 . 1 1 82 82 ALA CA C 407 56.076 56.076 55.555 0.521 17685 9973 1 20 . 1 1 82 82 ALA CB C 407 19.120 19.120 18.808 0.312 17685 9974 1 20 . 1 1 82 82 ALA H H 407 7.574 7.574 7.994 -0.420 17685 9975 1 20 . 1 1 83 83 LYS N N 408 117.628 117.628 118.169 -0.541 17685 9976 1 20 . 1 1 83 83 LYS HA H 408 3.352 3.352 3.841 -0.489 17685 9977 1 20 . 1 1 83 83 LYS C C 408 178.064 178.064 177.864 0.200 17685 9978 1 20 . 1 1 83 83 LYS CA C 408 61.404 61.404 59.786 1.618 17685 9979 1 20 . 1 1 83 83 LYS CB C 408 31.311 31.311 31.598 -0.287 17685 9980 1 20 . 1 1 83 83 LYS H H 408 8.755 8.755 8.182 0.573 17685 9981 1 20 . 1 1 84 84 GLU N N 409 116.005 116.005 118.922 -2.917 17685 9982 1 20 . 1 1 84 84 GLU HA H 409 3.994 3.994 4.079 -0.085 17685 9983 1 20 . 1 1 84 84 GLU C C 409 179.508 179.508 178.869 0.639 17685 9984 1 20 . 1 1 84 84 GLU CA C 409 59.300 59.300 59.036 0.264 17685 9985 1 20 . 1 1 84 84 GLU CB C 409 28.978 28.978 28.791 0.188 17685 9986 1 20 . 1 1 84 84 GLU H H 409 7.708 7.708 8.090 -0.382 17685 9987 1 20 . 1 1 85 85 VAL N N 410 120.216 120.216 120.981 -0.765 17685 9988 1 20 . 1 1 85 85 VAL HA H 410 3.786 3.786 3.710 0.076 17685 9989 1 20 . 1 1 85 85 VAL C C 410 179.087 179.087 178.007 1.080 17685 9990 1 20 . 1 1 85 85 VAL CA C 410 66.066 66.066 66.309 -0.243 17685 9991 1 20 . 1 1 85 85 VAL CB C 410 32.060 32.060 31.503 0.557 17685 9992 1 20 . 1 1 85 85 VAL H H 410 7.494 7.494 7.548 -0.054 17685 9993 1 20 . 1 1 86 86 LEU N N 411 121.293 121.293 120.660 0.633 17685 9994 1 20 . 1 1 86 86 LEU HA H 411 3.871 3.871 3.750 0.121 17685 9995 1 20 . 1 1 86 86 LEU C C 411 178.844 178.844 178.815 0.029 17685 9996 1 20 . 1 1 86 86 LEU CA C 411 58.100 58.100 58.598 -0.498 17685 9997 1 20 . 1 1 86 86 LEU CB C 411 42.047 42.047 40.816 1.231 17685 9998 1 20 . 1 1 86 86 LEU H H 411 8.371 8.371 8.307 0.064 17685 9999 1 20 . 1 1 87 87 LYS N N 412 119.536 119.536 118.419 1.117 17685 10000 1 20 . 1 1 87 87 LYS HA H 412 4.206 4.206 3.981 0.225 17685 10001 1 20 . 1 1 87 87 LYS C C 412 179.347 179.347 178.826 0.521 17685 10002 1 20 . 1 1 87 87 LYS CA C 412 60.924 60.924 60.251 0.673 17685 10003 1 20 . 1 1 87 87 LYS CB C 412 32.216 32.216 31.983 0.233 17685 10004 1 20 . 1 1 87 87 LYS H H 412 8.818 8.818 8.732 0.086 17685 10005 1 20 . 1 1 88 88 GLU N N 413 120.780 120.780 119.780 1.000 17685 10006 1 20 . 1 1 88 88 GLU HA H 413 4.127 4.127 4.004 0.123 17685 10007 1 20 . 1 1 88 88 GLU C C 413 179.469 179.469 178.768 0.701 17685 10008 1 20 . 1 1 88 88 GLU CA C 413 59.720 59.720 59.701 0.019 17685 10009 1 20 . 1 1 88 88 GLU CB C 413 29.021 29.021 29.502 -0.481 17685 10010 1 20 . 1 1 88 88 GLU H H 413 7.882 7.882 7.723 0.159 17685 10011 1 20 . 1 1 89 89 SER N N 414 116.823 116.823 116.357 0.466 17685 10012 1 20 . 1 1 89 89 SER HA H 414 3.765 3.765 4.103 -0.338 17685 10013 1 20 . 1 1 89 89 SER C C 414 176.091 176.091 176.232 -0.141 17685 10014 1 20 . 1 1 89 89 SER CA C 414 63.550 63.550 61.469 2.081 17685 10015 1 20 . 1 1 89 89 SER CB C 414 63.718 63.718 62.871 0.847 17685 10016 1 20 . 1 1 89 89 SER H H 414 8.296 8.296 8.247 0.049 17685 10017 1 20 . 1 1 90 90 ALA N N 415 123.230 123.230 124.490 -1.260 17685 10018 1 20 . 1 1 90 90 ALA HA H 415 3.831 3.831 3.820 0.011 17685 10019 1 20 . 1 1 90 90 ALA C C 415 177.963 177.963 179.376 -1.413 17685 10020 1 20 . 1 1 90 90 ALA CA C 415 55.415 55.415 55.558 -0.143 17685 10021 1 20 . 1 1 90 90 ALA CB C 415 19.432 19.432 18.265 1.167 17685 10022 1 20 . 1 1 90 90 ALA H H 415 8.805 8.805 8.360 0.445 17685 10023 1 20 . 1 1 91 91 LYS N N 416 117.753 117.753 117.651 0.102 17685 10024 1 20 . 1 1 91 91 LYS HA H 416 3.972 3.972 4.057 -0.085 17685 10025 1 20 . 1 1 91 91 LYS C C 416 178.198 178.198 179.394 -1.196 17685 10026 1 20 . 1 1 91 91 LYS CA C 416 59.817 59.817 58.809 1.008 17685 10027 1 20 . 1 1 91 91 LYS CB C 416 32.247 32.247 31.684 0.563 17685 10028 1 20 . 1 1 91 91 LYS H H 416 8.085 8.085 8.091 -0.006 17685 10029 1 20 . 1 1 92 92 THR N N 417 114.597 114.597 117.485 -2.888 17685 10030 1 20 . 1 1 92 92 THR HA H 417 4.075 4.075 4.037 0.038 17685 10031 1 20 . 1 1 92 92 THR C C 417 177.541 177.541 176.928 0.613 17685 10032 1 20 . 1 1 92 92 THR CA C 417 66.473 66.473 66.549 -0.076 17685 10033 1 20 . 1 1 92 92 THR CB C 417 69.070 69.070 68.359 0.712 17685 10034 1 20 . 1 1 92 92 THR H H 417 7.923 7.923 7.919 0.004 17685 10035 1 20 . 1 1 93 93 ILE N N 418 124.160 124.160 122.343 1.817 17685 10036 1 20 . 1 1 93 93 ILE HA H 418 3.662 3.662 3.621 0.041 17685 10037 1 20 . 1 1 93 93 ILE C C 418 178.114 178.114 177.524 0.590 17685 10038 1 20 . 1 1 93 93 ILE CA C 418 65.626 65.626 65.820 -0.194 17685 10039 1 20 . 1 1 93 93 ILE CB C 418 38.297 38.297 37.542 0.755 17685 10040 1 20 . 1 1 93 93 ILE H H 418 7.984 7.984 8.459 -0.475 17685 10041 1 20 . 1 1 94 94 VAL N N 419 121.566 121.566 120.338 1.228 17685 10042 1 20 . 1 1 94 94 VAL HA H 419 4.156 4.156 3.877 0.279 17685 10043 1 20 . 1 1 94 94 VAL C C 419 181.424 181.424 178.712 2.712 17685 10044 1 20 . 1 1 94 94 VAL CA C 419 65.808 65.808 65.516 0.292 17685 10045 1 20 . 1 1 94 94 VAL CB C 419 31.892 31.892 31.106 0.786 17685 10046 1 20 . 1 1 94 94 VAL H H 419 8.551 8.551 7.963 0.588 17685 10047 1 20 . 1 1 95 95 ASP N N 420 123.788 123.788 119.391 4.397 17685 10048 1 20 . 1 1 95 95 ASP HA H 420 4.477 4.477 4.418 0.059 17685 10049 1 20 . 1 1 95 95 ASP C C 420 178.220 178.220 178.462 -0.242 17685 10050 1 20 . 1 1 95 95 ASP CA C 420 57.548 57.548 56.844 0.704 17685 10051 1 20 . 1 1 95 95 ASP CB C 420 39.850 39.850 41.079 -1.229 17685 10052 1 20 . 1 1 95 95 ASP H H 420 9.354 9.354 8.191 1.163 17685 10053 1 20 . 1 1 96 96 SER N N 421 111.960 111.960 112.475 -0.515 17685 10054 1 20 . 1 1 96 96 SER HA H 421 4.526 4.526 4.414 0.112 17685 10055 1 20 . 1 1 96 96 SER C C 421 175.345 175.345 175.523 -0.178 17685 10056 1 20 . 1 1 96 96 SER CA C 421 59.433 59.433 58.884 0.549 17685 10057 1 20 . 1 1 96 96 SER CB C 421 64.264 64.264 64.162 0.102 17685 10058 1 20 . 1 1 96 96 SER H H 421 7.862 7.862 8.111 -0.249 17685 10059 1 20 . 1 1 97 97 GLY N N 422 110.240 110.240 110.030 0.210 17685 10060 1 20 . 1 1 97 97 GLY C C 422 175.158 175.158 175.081 0.077 17685 10061 1 20 . 1 1 97 97 GLY CA C 422 45.606 45.606 46.007 -0.401 17685 10062 1 20 . 1 1 97 97 GLY H H 422 8.063 8.063 7.700 0.363 17685 10063 1 20 . 1 1 98 98 LYS N N 423 120.213 120.213 119.062 1.151 17685 10064 1 20 . 1 1 98 98 LYS HA H 423 4.083 4.083 4.138 -0.055 17685 10065 1 20 . 1 1 98 98 LYS C C 423 176.681 176.681 176.525 0.156 17685 10066 1 20 . 1 1 98 98 LYS CA C 423 59.417 59.417 58.153 1.264 17685 10067 1 20 . 1 1 98 98 LYS CB C 423 33.453 33.453 33.256 0.197 17685 10068 1 20 . 1 1 98 98 LYS H H 423 7.992 7.992 8.512 -0.520 17685 10069 1 20 . 1 1 99 99 LEU N N 424 114.357 114.357 114.830 -0.473 17685 10070 1 20 . 1 1 99 99 LEU HA H 424 4.848 4.848 4.830 0.018 17685 10071 1 20 . 1 1 99 99 LEU C C 424 174.161 174.161 173.785 0.376 17685 10072 1 20 . 1 1 99 99 LEU CA C 424 52.225 52.225 51.208 1.017 17685 10073 1 20 . 1 1 99 99 LEU CB C 424 46.075 46.075 41.433 4.642 17685 10074 1 20 . 1 1 99 99 LEU H H 424 6.865 6.865 7.326 -0.461 17685 10075 1 20 . 1 1 100 100 PRO HA H 425 4.650 4.650 4.778 -0.128 17685 10076 1 20 . 1 1 100 100 PRO C C 425 177.559 177.559 178.109 -0.550 17685 10077 1 20 . 1 1 100 100 PRO CA C 425 61.643 61.643 62.907 -1.264 17685 10078 1 20 . 1 1 100 100 PRO CB C 425 32.422 32.422 32.627 -0.205 17685 10079 1 20 . 1 1 101 101 SER N N 426 117.043 117.043 120.350 -3.307 17685 10080 1 20 . 1 1 101 101 SER HA H 426 3.824 3.824 4.105 -0.281 17685 10081 1 20 . 1 1 101 101 SER C C 426 177.202 177.202 176.682 0.520 17685 10082 1 20 . 1 1 101 101 SER CA C 426 61.708 61.708 61.514 0.194 17685 10083 1 20 . 1 1 101 101 SER CB C 426 62.706 62.706 62.400 0.306 17685 10084 1 20 . 1 1 101 101 SER H H 426 8.999 8.999 8.662 0.337 17685 10085 1 20 . 1 1 102 102 SER N N 427 114.761 114.761 117.288 -2.527 17685 10086 1 20 . 1 1 102 102 SER HA H 427 4.112 4.112 4.298 -0.186 17685 10087 1 20 . 1 1 102 102 SER C C 427 176.526 176.526 176.214 0.312 17685 10088 1 20 . 1 1 102 102 SER CA C 427 60.650 60.650 61.133 -0.483 17685 10089 1 20 . 1 1 102 102 SER CB C 427 62.213 62.213 62.809 -0.596 17685 10090 1 20 . 1 1 102 102 SER H H 427 8.115 8.115 8.450 -0.335 17685 10091 1 20 . 1 1 103 103 LEU N N 428 120.408 120.408 120.575 -0.167 17685 10092 1 20 . 1 1 103 103 LEU HA H 428 4.435 4.435 4.294 0.141 17685 10093 1 20 . 1 1 103 103 LEU C C 428 176.698 176.698 176.307 0.391 17685 10094 1 20 . 1 1 103 103 LEU CA C 428 55.847 55.847 56.097 -0.251 17685 10095 1 20 . 1 1 103 103 LEU CB C 428 42.586 42.586 42.407 0.179 17685 10096 1 20 . 1 1 103 103 LEU H H 428 7.320 7.320 7.751 -0.431 17685 10097 1 20 . 1 1 104 104 LEU N N 429 117.860 117.860 115.534 2.326 17685 10098 1 20 . 1 1 104 104 LEU HA H 429 4.995 4.995 4.731 0.264 17685 10099 1 20 . 1 1 104 104 LEU C C 429 178.320 178.320 177.015 1.305 17685 10100 1 20 . 1 1 104 104 LEU CA C 429 52.672 52.672 53.667 -0.995 17685 10101 1 20 . 1 1 104 104 LEU CB C 429 43.039 43.039 41.918 1.121 17685 10102 1 20 . 1 1 104 104 LEU H H 429 7.325 7.325 8.133 -0.808 17685 10103 1 20 . 1 1 105 105 SER N N 430 112.664 112.664 116.800 -4.136 17685 10104 1 20 . 1 1 105 105 SER HA H 430 4.259 4.259 4.426 -0.167 17685 10105 1 20 . 1 1 105 105 SER C C 430 175.288 175.288 175.571 -0.283 17685 10106 1 20 . 1 1 105 105 SER CA C 430 61.247 61.247 61.195 0.052 17685 10107 1 20 . 1 1 105 105 SER CB C 430 64.058 64.058 63.091 0.967 17685 10108 1 20 . 1 1 105 105 SER H H 430 6.990 6.990 7.880 -0.890 17685 10109 1 20 . 1 1 106 106 TYR N N 431 125.624 125.624 120.656 4.968 17685 10110 1 20 . 1 1 106 106 TYR HA H 431 4.060 4.060 4.216 -0.156 17685 10111 1 20 . 1 1 106 106 TYR C C 431 176.064 176.064 176.136 -0.072 17685 10112 1 20 . 1 1 106 106 TYR CA C 431 61.449 61.449 60.333 1.116 17685 10113 1 20 . 1 1 106 106 TYR CB C 431 38.282 38.282 38.501 -0.219 17685 10114 1 20 . 1 1 106 106 TYR H H 431 10.433 10.433 7.971 2.462 17685 10115 1 20 . 1 1 107 107 PHE N N 432 113.203 113.203 112.806 0.397 17685 10116 1 20 . 1 1 107 107 PHE HA H 432 4.314 4.314 4.487 -0.173 17685 10117 1 20 . 1 1 107 107 PHE C C 432 173.901 173.901 175.311 -1.410 17685 10118 1 20 . 1 1 107 107 PHE CA C 432 59.810 59.810 59.678 0.132 17685 10119 1 20 . 1 1 107 107 PHE CB C 432 43.249 43.249 40.893 2.356 17685 10120 1 20 . 1 1 107 107 PHE H H 432 7.955 7.955 8.099 -0.144 17685 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 85 2.553 0.182 2.562 17685 2 1 1 "Average Difference" HA 82 0.301 0.061 0.297 17685 3 1 1 "Average Difference" C 86 0.927 -0.171 0.917 17685 4 1 1 "Average Difference" CA 86 1.006 -0.388 0.934 17685 5 1 1 "Average Difference" CB 82 1.061 -0.093 1.063 17685 6 1 1 "Average Difference" HN 85 0.580 -0.123 0.570 17685 7 1 2 "Average Difference" N 85 2.416 0.086 2.429 17685 8 1 2 "Average Difference" HA 82 0.296 0.075 0.288 17685 9 1 2 "Average Difference" C 86 0.957 -0.233 0.934 17685 10 1 2 "Average Difference" CA 86 1.006 -0.466 0.897 17685 11 1 2 "Average Difference" CB 82 1.003 -0.052 1.008 17685 12 1 2 "Average Difference" HN 85 0.554 -0.112 0.546 17685 13 1 3 "Average Difference" N 85 2.387 -0.101 2.399 17685 14 1 3 "Average Difference" HA 82 0.335 0.076 0.328 17685 15 1 3 "Average Difference" C 86 0.940 -0.189 0.926 17685 16 1 3 "Average Difference" CA 86 1.088 -0.396 1.019 17685 17 1 3 "Average Difference" CB 82 1.143 -0.114 1.144 17685 18 1 3 "Average Difference" HN 85 0.549 -0.064 0.548 17685 19 1 4 "Average Difference" N 85 2.518 -0.051 2.533 17685 20 1 4 "Average Difference" HA 82 0.292 0.061 0.287 17685 21 1 4 "Average Difference" C 86 0.881 -0.186 0.866 17685 22 1 4 "Average Difference" CA 86 1.031 -0.392 0.960 17685 23 1 4 "Average Difference" CB 82 1.036 -0.129 1.034 17685 24 1 4 "Average Difference" HN 85 0.583 -0.134 0.571 17685 25 1 5 "Average Difference" N 85 2.570 0.065 2.584 17685 26 1 5 "Average Difference" HA 82 0.308 0.069 0.302 17685 27 1 5 "Average Difference" C 86 0.987 -0.242 0.962 17685 28 1 5 "Average Difference" CA 86 0.927 -0.423 0.829 17685 29 1 5 "Average Difference" CB 82 0.971 -0.109 0.971 17685 30 1 5 "Average Difference" HN 85 0.525 -0.121 0.514 17685 31 1 6 "Average Difference" N 85 2.434 -0.026 2.448 17685 32 1 6 "Average Difference" HA 82 0.316 0.070 0.310 17685 33 1 6 "Average Difference" C 86 0.935 -0.179 0.923 17685 34 1 6 "Average Difference" CA 86 0.918 -0.332 0.861 17685 35 1 6 "Average Difference" CB 82 1.049 -0.130 1.048 17685 36 1 6 "Average Difference" HN 85 0.565 -0.111 0.557 17685 37 1 7 "Average Difference" N 85 2.504 -0.042 2.518 17685 38 1 7 "Average Difference" HA 82 0.283 0.066 0.277 17685 39 1 7 "Average Difference" C 86 0.975 -0.252 0.948 17685 40 1 7 "Average Difference" CA 86 1.024 -0.488 0.906 17685 41 1 7 "Average Difference" CB 82 0.971 -0.103 0.971 17685 42 1 7 "Average Difference" HN 85 0.530 -0.115 0.520 17685 43 1 8 "Average Difference" N 85 2.443 0.077 2.456 17685 44 1 8 "Average Difference" HA 82 0.266 0.048 0.263 17685 45 1 8 "Average Difference" C 86 1.007 -0.189 0.995 17685 46 1 8 "Average Difference" CA 86 0.953 -0.439 0.850 17685 47 1 8 "Average Difference" CB 82 0.989 -0.083 0.992 17685 48 1 8 "Average Difference" HN 85 0.590 -0.093 0.586 17685 49 1 9 "Average Difference" N 85 2.378 0.011 2.392 17685 50 1 9 "Average Difference" HA 82 0.309 0.082 0.299 17685 51 1 9 "Average Difference" C 86 0.912 -0.212 0.893 17685 52 1 9 "Average Difference" CA 86 1.021 -0.473 0.910 17685 53 1 9 "Average Difference" CB 82 0.983 -0.120 0.982 17685 54 1 9 "Average Difference" HN 85 0.520 -0.125 0.508 17685 55 1 10 "Average Difference" N 85 2.465 0.022 2.480 17685 56 1 10 "Average Difference" HA 82 0.320 0.081 0.312 17685 57 1 10 "Average Difference" C 86 0.934 -0.259 0.903 17685 58 1 10 "Average Difference" CA 86 0.997 -0.476 0.881 17685 59 1 10 "Average Difference" CB 82 0.981 -0.057 0.985 17685 60 1 10 "Average Difference" HN 85 0.577 -0.085 0.574 17685 61 1 11 "Average Difference" N 85 2.476 0.012 2.490 17685 62 1 11 "Average Difference" HA 82 0.285 0.054 0.281 17685 63 1 11 "Average Difference" C 86 1.003 -0.211 0.987 17685 64 1 11 "Average Difference" CA 86 0.951 -0.343 0.892 17685 65 1 11 "Average Difference" CB 82 0.977 -0.059 0.981 17685 66 1 11 "Average Difference" HN 85 0.533 -0.110 0.524 17685 67 1 12 "Average Difference" N 85 2.439 0.002 2.453 17685 68 1 12 "Average Difference" HA 82 0.285 0.052 0.281 17685 69 1 12 "Average Difference" C 86 0.990 -0.236 0.967 17685 70 1 12 "Average Difference" CA 86 0.928 -0.423 0.831 17685 71 1 12 "Average Difference" CB 82 1.018 -0.052 1.023 17685 72 1 12 "Average Difference" HN 85 0.513 -0.097 0.507 17685 73 1 13 "Average Difference" N 85 2.522 -0.114 2.534 17685 74 1 13 "Average Difference" HA 82 0.293 0.055 0.290 17685 75 1 13 "Average Difference" C 86 0.957 -0.227 0.935 17685 76 1 13 "Average Difference" CA 86 1.039 -0.413 0.960 17685 77 1 13 "Average Difference" CB 82 1.060 -0.161 1.054 17685 78 1 13 "Average Difference" HN 85 0.586 -0.083 0.583 17685 79 1 14 "Average Difference" N 85 2.422 0.113 2.434 17685 80 1 14 "Average Difference" HA 82 0.293 0.065 0.287 17685 81 1 14 "Average Difference" C 86 0.960 -0.231 0.937 17685 82 1 14 "Average Difference" CA 86 0.942 -0.404 0.855 17685 83 1 14 "Average Difference" CB 82 1.019 -0.048 1.024 17685 84 1 14 "Average Difference" HN 85 0.538 -0.090 0.534 17685 85 1 15 "Average Difference" N 85 2.608 -0.033 2.624 17685 86 1 15 "Average Difference" HA 82 0.285 0.075 0.276 17685 87 1 15 "Average Difference" C 86 1.003 -0.229 0.983 17685 88 1 15 "Average Difference" CA 86 0.930 -0.426 0.832 17685 89 1 15 "Average Difference" CB 82 0.998 -0.057 1.002 17685 90 1 15 "Average Difference" HN 85 0.579 -0.107 0.572 17685 91 1 16 "Average Difference" N 85 2.455 -0.001 2.470 17685 92 1 16 "Average Difference" HA 82 0.303 0.066 0.298 17685 93 1 16 "Average Difference" C 86 0.939 -0.253 0.910 17685 94 1 16 "Average Difference" CA 86 0.961 -0.380 0.888 17685 95 1 16 "Average Difference" CB 82 0.952 -0.101 0.953 17685 96 1 16 "Average Difference" HN 85 0.567 -0.091 0.563 17685 97 1 17 "Average Difference" N 85 2.399 -0.074 2.412 17685 98 1 17 "Average Difference" HA 82 0.283 0.054 0.279 17685 99 1 17 "Average Difference" C 86 0.985 -0.163 0.977 17685 100 1 17 "Average Difference" CA 86 0.970 -0.414 0.882 17685 101 1 17 "Average Difference" CB 82 1.003 -0.112 1.003 17685 102 1 17 "Average Difference" HN 85 0.554 -0.102 0.547 17685 103 1 18 "Average Difference" N 85 2.411 -0.053 2.424 17685 104 1 18 "Average Difference" HA 82 0.303 0.083 0.294 17685 105 1 18 "Average Difference" C 86 0.987 -0.178 0.977 17685 106 1 18 "Average Difference" CA 86 0.854 -0.431 0.741 17685 107 1 18 "Average Difference" CB 82 0.956 -0.096 0.957 17685 108 1 18 "Average Difference" HN 85 0.556 -0.107 0.549 17685 109 1 19 "Average Difference" N 85 2.438 -0.027 2.453 17685 110 1 19 "Average Difference" HA 82 0.308 0.067 0.302 17685 111 1 19 "Average Difference" C 86 0.998 -0.203 0.983 17685 112 1 19 "Average Difference" CA 86 1.042 -0.386 0.974 17685 113 1 19 "Average Difference" CB 82 1.073 -0.114 1.073 17685 114 1 19 "Average Difference" HN 85 0.549 -0.120 0.539 17685 115 1 20 "Average Difference" N 85 2.427 0.006 2.441 17685 116 1 20 "Average Difference" HA 82 0.278 0.050 0.275 17685 117 1 20 "Average Difference" C 86 0.883 -0.173 0.870 17685 118 1 20 "Average Difference" CA 86 0.946 -0.378 0.872 17685 119 1 20 "Average Difference" CB 82 1.055 -0.143 1.052 17685 120 1 20 "Average Difference" HN 85 0.572 -0.075 0.571 17685 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 17685 _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 22 22 SER N N 347 116.741 116.741 117.109 -0.368 17685 2 1 . 1 1 22 22 SER HA H 347 4.355 4.355 4.491 -0.136 17685 3 1 . 1 1 22 22 SER C C 347 176.272 176.272 175.620 0.652 17685 4 1 . 1 1 22 22 SER CA C 347 59.651 59.651 59.103 0.548 17685 5 1 . 1 1 22 22 SER CB C 347 63.231 63.231 64.113 -0.882 17685 6 1 . 1 1 22 22 SER H H 347 8.311 8.311 8.488 -0.177 17685 7 1 . 1 1 23 23 LYS N N 348 124.398 124.398 122.013 2.385 17685 8 1 . 1 1 23 23 LYS HA H 348 4.142 4.142 4.161 -0.019 17685 9 1 . 1 1 23 23 LYS C C 348 178.743 178.743 178.428 0.315 17685 10 1 . 1 1 23 23 LYS CA C 348 59.304 59.304 58.746 0.558 17685 11 1 . 1 1 23 23 LYS CB C 348 32.301 32.301 31.984 0.317 17685 12 1 . 1 1 23 23 LYS H H 348 8.611 8.611 8.448 0.163 17685 13 1 . 1 1 24 24 ALA N N 349 122.494 122.494 121.904 0.590 17685 14 1 . 1 1 24 24 ALA HA H 349 4.137 4.137 4.257 -0.120 17685 15 1 . 1 1 24 24 ALA C C 349 179.869 179.869 179.523 0.346 17685 16 1 . 1 1 24 24 ALA CA C 349 54.811 54.811 54.483 0.328 17685 17 1 . 1 1 24 24 ALA CB C 349 18.284 18.284 18.053 0.231 17685 18 1 . 1 1 24 24 ALA H H 349 8.245 8.245 8.128 0.117 17685 19 1 . 1 1 25 25 ALA N N 350 121.576 121.576 121.362 0.214 17685 20 1 . 1 1 25 25 ALA HA H 350 4.136 4.136 4.024 0.112 17685 21 1 . 1 1 25 25 ALA C C 350 178.743 178.743 179.446 -0.703 17685 22 1 . 1 1 25 25 ALA CA C 350 54.632 54.632 54.863 -0.231 17685 23 1 . 1 1 25 25 ALA CB C 350 18.299 18.299 18.181 0.118 17685 24 1 . 1 1 25 25 ALA H H 350 8.014 8.014 8.156 -0.142 17685 25 1 . 1 1 26 26 LYS N N 351 119.618 119.618 119.003 0.615 17685 26 1 . 1 1 26 26 LYS HA H 351 4.196 4.196 3.979 0.217 17685 27 1 . 1 1 26 26 LYS C C 351 178.485 178.485 178.721 -0.236 17685 28 1 . 1 1 26 26 LYS CA C 351 60.014 60.014 59.747 0.267 17685 29 1 . 1 1 26 26 LYS CB C 351 32.511 32.511 32.156 0.355 17685 30 1 . 1 1 26 26 LYS H H 351 7.831 7.831 8.010 -0.179 17685 31 1 . 1 1 27 27 LYS N N 352 118.080 118.080 118.746 -0.666 17685 32 1 . 1 1 27 27 LYS HA H 352 3.958 3.958 4.006 -0.048 17685 33 1 . 1 1 27 27 LYS C C 352 179.564 179.564 178.791 0.773 17685 34 1 . 1 1 27 27 LYS CA C 352 60.092 60.092 59.440 0.652 17685 35 1 . 1 1 27 27 LYS CB C 352 32.550 32.550 32.309 0.240 17685 36 1 . 1 1 27 27 LYS H H 352 7.905 7.905 7.666 0.239 17685 37 1 . 1 1 28 28 LYS N N 353 119.878 119.878 119.342 0.536 17685 38 1 . 1 1 28 28 LYS HA H 353 4.023 4.023 3.992 0.031 17685 39 1 . 1 1 28 28 LYS C C 353 179.270 179.270 179.008 0.262 17685 40 1 . 1 1 28 28 LYS CA C 353 59.806 59.806 59.385 0.422 17685 41 1 . 1 1 28 28 LYS CB C 353 32.324 32.324 32.279 0.045 17685 42 1 . 1 1 28 28 LYS H H 353 7.934 7.934 7.866 0.068 17685 43 1 . 1 1 29 29 ASN N N 354 119.780 119.780 117.913 1.867 17685 44 1 . 1 1 29 29 ASN HA H 354 4.557 4.557 4.461 0.096 17685 45 1 . 1 1 29 29 ASN C C 354 177.395 177.395 177.584 -0.189 17685 46 1 . 1 1 29 29 ASN CA C 354 56.167 56.167 55.841 0.326 17685 47 1 . 1 1 29 29 ASN CB C 354 37.928 37.928 38.114 -0.186 17685 48 1 . 1 1 29 29 ASN H H 354 8.524 8.524 8.497 0.027 17685 49 1 . 1 1 30 30 LYS N N 355 118.850 118.850 120.149 -1.299 17685 50 1 . 1 1 30 30 LYS HA H 355 3.820 3.820 3.902 -0.082 17685 51 1 . 1 1 30 30 LYS C C 355 178.266 178.266 178.822 -0.555 17685 52 1 . 1 1 30 30 LYS CA C 355 61.698 61.698 59.946 1.752 17685 53 1 . 1 1 30 30 LYS CB C 355 33.000 33.000 32.276 0.724 17685 54 1 . 1 1 30 30 LYS H H 355 8.599 8.599 8.199 0.400 17685 55 1 . 1 1 31 31 ARG N N 356 118.226 118.226 118.577 -0.351 17685 56 1 . 1 1 31 31 ARG HA H 356 3.940 3.940 4.107 -0.167 17685 57 1 . 1 1 31 31 ARG C C 356 177.676 177.676 178.202 -0.526 17685 58 1 . 1 1 31 31 ARG CA C 356 59.316 59.316 58.934 0.382 17685 59 1 . 1 1 31 31 ARG CB C 356 30.266 30.266 29.992 0.274 17685 60 1 . 1 1 31 31 ARG H H 356 7.809 7.809 7.685 0.124 17685 61 1 . 1 1 32 32 ALA N N 357 120.780 120.780 123.017 -2.237 17685 62 1 . 1 1 32 32 ALA HA H 357 4.104 4.104 4.061 0.043 17685 63 1 . 1 1 32 32 ALA C C 357 181.157 181.157 179.705 1.452 17685 64 1 . 1 1 32 32 ALA CA C 357 55.118 55.118 54.978 0.140 17685 65 1 . 1 1 32 32 ALA CB C 357 18.064 18.064 18.381 -0.317 17685 66 1 . 1 1 32 32 ALA H H 357 8.155 8.155 8.037 0.118 17685 67 1 . 1 1 33 33 ILE N N 358 116.468 116.468 117.469 -1.001 17685 68 1 . 1 1 33 33 ILE HA H 358 3.590 3.590 3.685 -0.095 17685 69 1 . 1 1 33 33 ILE C C 358 179.458 179.458 178.191 1.267 17685 70 1 . 1 1 33 33 ILE CA C 358 65.775 65.775 63.933 1.842 17685 71 1 . 1 1 33 33 ILE CB C 358 38.592 38.592 37.109 1.483 17685 72 1 . 1 1 33 33 ILE H H 358 7.929 7.929 8.254 -0.325 17685 73 1 . 1 1 34 34 ARG N N 359 119.937 119.937 119.851 0.086 17685 74 1 . 1 1 34 34 ARG HA H 359 3.998 3.998 4.005 -0.007 17685 75 1 . 1 1 34 34 ARG C C 359 179.124 179.124 178.987 0.137 17685 76 1 . 1 1 34 34 ARG CA C 359 60.029 60.029 59.770 0.259 17685 77 1 . 1 1 34 34 ARG CB C 359 30.576 30.576 29.810 0.766 17685 78 1 . 1 1 34 34 ARG H H 359 8.672 8.672 7.589 1.083 17685 79 1 . 1 1 35 35 ASN N N 360 116.359 116.359 118.065 -1.706 17685 80 1 . 1 1 35 35 ASN HA H 360 4.575 4.575 4.468 0.107 17685 81 1 . 1 1 35 35 ASN C C 360 175.723 175.723 176.610 -0.887 17685 82 1 . 1 1 35 35 ASN CA C 360 54.215 54.215 55.825 -1.610 17685 83 1 . 1 1 35 35 ASN CB C 360 38.575 38.575 38.131 0.444 17685 84 1 . 1 1 35 35 ASN H H 360 8.454 8.454 8.309 0.145 17685 85 1 . 1 1 36 36 SER N N 361 115.734 115.734 116.527 -0.793 17685 86 1 . 1 1 36 36 SER HA H 361 3.995 3.995 4.155 -0.160 17685 87 1 . 1 1 36 36 SER C C 361 176.129 176.129 175.887 0.242 17685 88 1 . 1 1 36 36 SER CA C 361 62.349 62.349 61.996 0.353 17685 89 1 . 1 1 36 36 SER CB C 361 63.664 63.664 62.867 0.797 17685 90 1 . 1 1 36 36 SER H H 361 7.617 7.617 7.705 -0.088 17685 91 1 . 1 1 37 37 ALA N N 362 124.421 124.421 123.330 1.091 17685 92 1 . 1 1 37 37 ALA HA H 362 3.770 3.770 3.793 -0.023 17685 93 1 . 1 1 37 37 ALA C C 362 178.482 178.482 177.808 0.674 17685 94 1 . 1 1 37 37 ALA CA C 362 54.821 54.821 53.980 0.841 17685 95 1 . 1 1 37 37 ALA CB C 362 18.347 18.347 18.056 0.291 17685 96 1 . 1 1 37 37 ALA H H 362 6.868 6.868 7.596 -0.728 17685 97 1 . 1 1 38 38 LYS N N 363 122.319 122.319 117.263 5.057 17685 98 1 . 1 1 38 38 LYS HA H 363 2.913 2.913 4.048 -1.135 17685 99 1 . 1 1 38 38 LYS C C 363 180.669 180.669 179.440 1.229 17685 100 1 . 1 1 38 38 LYS CA C 363 59.567 59.567 58.742 0.825 17685 101 1 . 1 1 38 38 LYS CB C 363 31.563 31.563 32.358 -0.796 17685 102 1 . 1 1 38 38 LYS H H 363 8.317 8.317 7.370 0.947 17685 103 1 . 1 1 39 39 GLU N N 364 118.666 118.666 118.306 0.360 17685 104 1 . 1 1 39 39 GLU HA H 364 4.015 4.015 4.196 -0.181 17685 105 1 . 1 1 39 39 GLU C C 364 176.609 176.609 178.114 -1.505 17685 106 1 . 1 1 39 39 GLU CA C 364 58.674 58.674 58.395 0.279 17685 107 1 . 1 1 39 39 GLU CB C 364 29.058 29.058 29.790 -0.732 17685 108 1 . 1 1 39 39 GLU H H 364 7.935 7.935 8.102 -0.167 17685 109 1 . 1 1 40 40 ALA N N 365 121.145 121.145 119.883 1.262 17685 110 1 . 1 1 40 40 ALA HA H 365 4.663 4.663 4.517 0.146 17685 111 1 . 1 1 40 40 ALA C C 365 177.688 177.688 175.779 1.909 17685 112 1 . 1 1 40 40 ALA CA C 365 50.931 50.931 51.036 -0.105 17685 113 1 . 1 1 40 40 ALA CB C 365 18.566 18.566 19.754 -1.188 17685 114 1 . 1 1 40 40 ALA H H 365 7.049 7.049 7.903 -0.854 17685 115 1 . 1 1 41 41 ASP N N 366 121.103 121.103 116.454 4.649 17685 116 1 . 1 1 41 41 ASP HA H 366 4.338 4.338 4.222 0.116 17685 117 1 . 1 1 41 41 ASP C C 366 175.644 175.644 175.014 0.630 17685 118 1 . 1 1 41 41 ASP CA C 366 55.898 55.898 54.584 1.315 17685 119 1 . 1 1 41 41 ASP CB C 366 39.353 39.353 40.858 -1.505 17685 120 1 . 1 1 41 41 ASP H H 366 8.099 8.099 7.163 0.936 17685 121 1 . 1 1 42 42 TYR N N 367 110.700 110.700 120.436 -9.736 17685 122 1 . 1 1 42 42 TYR HA H 367 2.485 2.485 4.002 -1.517 17685 123 1 . 1 1 42 42 TYR C C 367 174.307 174.307 175.991 -1.684 17685 124 1 . 1 1 42 42 TYR CA C 367 61.064 61.064 58.387 2.677 17685 125 1 . 1 1 42 42 TYR CB C 367 34.242 34.242 38.103 -3.861 17685 126 1 . 1 1 42 42 TYR H H 367 8.364 8.364 8.787 -0.423 17685 127 1 . 1 1 43 43 PHE N N 368 111.305 111.305 115.946 -4.641 17685 128 1 . 1 1 43 43 PHE HA H 368 4.666 4.666 4.216 0.450 17685 129 1 . 1 1 43 43 PHE C C 368 177.162 177.162 176.214 0.948 17685 130 1 . 1 1 43 43 PHE CA C 368 56.561 56.561 58.797 -2.236 17685 131 1 . 1 1 43 43 PHE CB C 368 36.514 36.514 36.017 0.497 17685 132 1 . 1 1 43 43 PHE H H 368 7.666 7.666 7.782 -0.116 17685 133 1 . 1 1 44 44 GLY N N 369 106.300 106.300 105.517 0.783 17685 134 1 . 1 1 44 44 GLY C C 369 174.446 174.446 174.603 -0.157 17685 135 1 . 1 1 44 44 GLY CA C 369 45.780 45.780 45.121 0.659 17685 136 1 . 1 1 44 44 GLY H H 369 7.671 7.671 8.326 -0.655 17685 137 1 . 1 1 45 45 ASP N N 370 122.876 122.876 121.018 1.858 17685 138 1 . 1 1 45 45 ASP HA H 370 5.323 5.323 4.901 0.422 17685 139 1 . 1 1 45 45 ASP C C 370 176.360 176.360 176.358 0.002 17685 140 1 . 1 1 45 45 ASP CA C 370 53.322 53.322 53.747 -0.425 17685 141 1 . 1 1 45 45 ASP CB C 370 41.391 41.391 41.326 0.065 17685 142 1 . 1 1 45 45 ASP H H 370 8.331 8.331 8.075 0.256 17685 143 1 . 1 1 46 46 ALA N N 371 121.771 121.771 123.302 -1.531 17685 144 1 . 1 1 46 46 ALA HA H 371 3.600 3.600 3.788 -0.188 17685 145 1 . 1 1 46 46 ALA C C 371 179.111 179.111 178.677 0.434 17685 146 1 . 1 1 46 46 ALA CA C 371 56.038 56.038 54.628 1.410 17685 147 1 . 1 1 46 46 ALA CB C 371 17.942 17.942 18.495 -0.553 17685 148 1 . 1 1 46 46 ALA H H 371 8.282 8.282 8.352 -0.070 17685 149 1 . 1 1 47 47 ASP N N 372 116.273 116.273 116.707 -0.434 17685 150 1 . 1 1 47 47 ASP HA H 372 4.359 4.359 4.434 -0.075 17685 151 1 . 1 1 47 47 ASP C C 372 177.019 177.019 176.981 0.038 17685 152 1 . 1 1 47 47 ASP CA C 372 55.832 55.832 56.146 -0.314 17685 153 1 . 1 1 47 47 ASP CB C 372 39.190 39.190 40.609 -1.419 17685 154 1 . 1 1 47 47 ASP H H 372 9.068 9.068 8.676 0.392 17685 155 1 . 1 1 48 48 LYS N N 373 120.180 120.180 116.911 3.269 17685 156 1 . 1 1 48 48 LYS HA H 373 4.723 4.723 4.594 0.129 17685 157 1 . 1 1 48 48 LYS C C 373 175.542 175.542 176.202 -0.660 17685 158 1 . 1 1 48 48 LYS CA C 373 54.787 54.787 55.055 -0.268 17685 159 1 . 1 1 48 48 LYS CB C 373 32.179 32.179 31.943 0.236 17685 160 1 . 1 1 48 48 LYS H H 373 8.050 8.050 7.734 0.316 17685 161 1 . 1 1 49 49 ALA N N 374 122.498 122.498 123.547 -1.049 17685 162 1 . 1 1 49 49 ALA HA H 374 3.068 3.068 4.022 -0.954 17685 163 1 . 1 1 49 49 ALA C C 374 177.781 177.781 179.108 -1.327 17685 164 1 . 1 1 49 49 ALA CA C 374 56.962 56.962 56.081 0.881 17685 165 1 . 1 1 49 49 ALA CB C 374 17.855 17.855 18.012 -0.157 17685 166 1 . 1 1 49 49 ALA H H 374 7.045 7.045 7.488 -0.443 17685 167 1 . 1 1 50 50 THR N N 375 108.573 108.573 112.547 -3.974 17685 168 1 . 1 1 50 50 THR HA H 375 4.044 4.044 4.018 0.026 17685 169 1 . 1 1 50 50 THR C C 375 177.647 177.647 176.519 1.128 17685 170 1 . 1 1 50 50 THR CA C 375 66.201 66.201 67.439 -1.238 17685 171 1 . 1 1 50 50 THR CB C 375 68.334 68.334 68.132 0.202 17685 172 1 . 1 1 50 50 THR H H 375 8.285 8.285 8.387 -0.102 17685 173 1 . 1 1 51 51 THR N N 376 120.018 120.018 119.499 0.519 17685 174 1 . 1 1 51 51 THR HA H 376 4.147 4.147 4.114 0.033 17685 175 1 . 1 1 51 51 THR C C 376 175.499 175.499 176.518 -1.019 17685 176 1 . 1 1 51 51 THR CA C 376 66.145 66.145 66.701 -0.556 17685 177 1 . 1 1 51 51 THR CB C 376 69.382 69.382 68.435 0.947 17685 178 1 . 1 1 51 51 THR H H 376 7.359 7.359 7.487 -0.128 17685 179 1 . 1 1 52 52 ILE N N 377 122.319 122.319 122.677 -0.358 17685 180 1 . 1 1 52 52 ILE HA H 377 3.168 3.168 3.678 -0.510 17685 181 1 . 1 1 52 52 ILE C C 377 177.879 177.879 177.767 0.112 17685 182 1 . 1 1 52 52 ILE CA C 377 67.070 67.070 65.798 1.272 17685 183 1 . 1 1 52 52 ILE CB C 377 38.257 38.257 37.641 0.616 17685 184 1 . 1 1 52 52 ILE H H 377 8.346 8.346 8.540 -0.194 17685 185 1 . 1 1 53 53 ASP N N 378 117.696 117.696 119.946 -2.250 17685 186 1 . 1 1 53 53 ASP HA H 378 4.739 4.739 4.332 0.407 17685 187 1 . 1 1 53 53 ASP C C 378 180.094 180.094 178.659 1.435 17685 188 1 . 1 1 53 53 ASP CA C 378 58.044 58.044 58.145 -0.101 17685 189 1 . 1 1 53 53 ASP CB C 378 39.648 39.648 40.729 -1.081 17685 190 1 . 1 1 53 53 ASP H H 378 8.991 8.991 8.512 0.479 17685 191 1 . 1 1 54 54 GLU N N 379 121.956 121.956 119.957 1.999 17685 192 1 . 1 1 54 54 GLU HA H 379 4.174 4.174 4.007 0.167 17685 193 1 . 1 1 54 54 GLU C C 379 179.679 179.679 179.094 0.585 17685 194 1 . 1 1 54 54 GLU CA C 379 59.572 59.572 59.377 0.195 17685 195 1 . 1 1 54 54 GLU CB C 379 29.324 29.324 29.649 -0.325 17685 196 1 . 1 1 54 54 GLU H H 379 7.946 7.946 7.959 -0.013 17685 197 1 . 1 1 55 55 GLN N N 380 120.733 120.733 119.270 1.463 17685 198 1 . 1 1 55 55 GLN HA H 380 4.171 4.171 4.112 0.059 17685 199 1 . 1 1 55 55 GLN C C 380 178.288 178.288 178.810 -0.522 17685 200 1 . 1 1 55 55 GLN CA C 380 59.994 59.994 58.980 1.014 17685 201 1 . 1 1 55 55 GLN CB C 380 29.566 29.566 29.057 0.509 17685 202 1 . 1 1 55 55 GLN H H 380 8.357 8.357 8.347 0.010 17685 203 1 . 1 1 56 56 VAL N N 381 120.353 120.353 119.114 1.239 17685 204 1 . 1 1 56 56 VAL HA H 381 3.536 3.536 3.604 -0.068 17685 205 1 . 1 1 56 56 VAL C C 381 178.220 178.220 178.232 -0.012 17685 206 1 . 1 1 56 56 VAL CA C 381 67.557 67.557 66.423 1.134 17685 207 1 . 1 1 56 56 VAL CB C 381 31.349 31.349 30.709 0.640 17685 208 1 . 1 1 56 56 VAL H H 381 9.484 9.484 8.576 0.908 17685 209 1 . 1 1 57 57 GLY N N 382 106.926 106.926 108.067 -1.141 17685 210 1 . 1 1 57 57 GLY C C 382 174.843 174.843 176.372 -1.529 17685 211 1 . 1 1 57 57 GLY CA C 382 47.694 47.694 47.247 0.447 17685 212 1 . 1 1 57 57 GLY H H 382 8.169 8.169 7.975 0.194 17685 213 1 . 1 1 58 58 LEU N N 383 120.610 120.610 122.625 -2.015 17685 214 1 . 1 1 58 58 LEU HA H 383 4.151 4.151 4.007 0.144 17685 215 1 . 1 1 58 58 LEU C C 383 180.087 180.087 178.982 1.105 17685 216 1 . 1 1 58 58 LEU CA C 383 57.974 57.974 57.635 0.339 17685 217 1 . 1 1 58 58 LEU CB C 383 42.125 42.125 41.684 0.441 17685 218 1 . 1 1 58 58 LEU H H 383 7.568 7.568 8.081 -0.512 17685 219 1 . 1 1 59 59 ILE N N 384 120.213 120.213 119.666 0.547 17685 220 1 . 1 1 59 59 ILE HA H 384 3.416 3.416 3.576 -0.160 17685 221 1 . 1 1 59 59 ILE C C 384 178.310 178.310 178.168 0.142 17685 222 1 . 1 1 59 59 ILE CA C 384 66.069 66.069 65.614 0.455 17685 223 1 . 1 1 59 59 ILE CB C 384 38.233 38.233 37.754 0.479 17685 224 1 . 1 1 59 59 ILE H H 384 8.057 8.057 7.996 0.061 17685 225 1 . 1 1 60 60 VAL N N 385 115.546 115.546 114.691 0.855 17685 226 1 . 1 1 60 60 VAL HA H 385 3.560 3.560 3.645 -0.085 17685 227 1 . 1 1 60 60 VAL C C 385 177.921 177.921 176.931 0.990 17685 228 1 . 1 1 60 60 VAL CA C 385 66.702 66.702 65.434 1.268 17685 229 1 . 1 1 60 60 VAL CB C 385 31.565 31.565 31.683 -0.118 17685 230 1 . 1 1 60 60 VAL H H 385 8.672 8.672 8.123 0.549 17685 231 1 . 1 1 61 61 ASP N N 386 117.831 117.831 118.794 -0.963 17685 232 1 . 1 1 61 61 ASP HA H 386 4.571 4.571 4.520 0.051 17685 233 1 . 1 1 61 61 ASP C C 386 177.238 177.238 177.783 -0.545 17685 234 1 . 1 1 61 61 ASP CA C 386 56.184 56.184 56.281 -0.097 17685 235 1 . 1 1 61 61 ASP CB C 386 40.632 40.632 41.521 -0.889 17685 236 1 . 1 1 61 61 ASP H H 386 7.988 7.988 7.980 0.008 17685 237 1 . 1 1 62 62 SER N N 387 114.761 114.761 114.591 0.170 17685 238 1 . 1 1 62 62 SER HA H 387 4.577 4.577 4.429 0.148 17685 239 1 . 1 1 62 62 SER C C 387 173.645 173.645 174.555 -0.910 17685 240 1 . 1 1 62 62 SER CA C 387 59.694 59.694 60.005 -0.311 17685 241 1 . 1 1 62 62 SER CB C 387 64.588 64.588 63.823 0.765 17685 242 1 . 1 1 62 62 SER H H 387 7.755 7.755 7.761 -0.006 17685 243 1 . 1 1 63 63 LEU N N 388 121.610 121.610 120.910 0.700 17685 244 1 . 1 1 63 63 LEU HA H 388 4.506 4.506 4.327 0.179 17685 245 1 . 1 1 63 63 LEU C C 388 177.071 177.071 175.045 2.026 17685 246 1 . 1 1 63 63 LEU CA C 388 54.490 54.490 54.241 0.249 17685 247 1 . 1 1 63 63 LEU CB C 388 42.414 42.414 43.191 -0.777 17685 248 1 . 1 1 63 63 LEU H H 388 7.083 7.083 7.336 -0.253 17685 249 1 . 1 1 64 64 ASN N N 389 122.154 122.154 116.247 5.907 17685 250 1 . 1 1 64 64 ASN HA H 389 4.748 4.748 4.811 -0.063 17685 251 1 . 1 1 64 64 ASN C C 389 175.144 175.144 175.629 -0.485 17685 252 1 . 1 1 64 64 ASN CA C 389 51.898 51.898 51.660 0.238 17685 253 1 . 1 1 64 64 ASN CB C 389 37.762 37.762 40.229 -2.467 17685 254 1 . 1 1 64 64 ASN H H 389 9.587 9.587 8.077 1.510 17685 255 1 . 1 1 65 65 ASP N N 390 116.882 116.882 119.368 -2.486 17685 256 1 . 1 1 65 65 ASP HA H 390 4.288 4.288 4.238 0.050 17685 257 1 . 1 1 65 65 ASP C C 390 178.601 178.601 177.765 0.836 17685 258 1 . 1 1 65 65 ASP CA C 390 58.992 58.992 57.945 1.047 17685 259 1 . 1 1 65 65 ASP CB C 390 40.168 40.168 40.542 -0.374 17685 260 1 . 1 1 65 65 ASP H H 390 8.504 8.504 8.845 -0.341 17685 261 1 . 1 1 66 66 GLU N N 391 119.807 119.807 118.754 1.052 17685 262 1 . 1 1 66 66 GLU HA H 391 4.048 4.048 4.095 -0.047 17685 263 1 . 1 1 66 66 GLU C C 391 179.549 179.549 178.993 0.556 17685 264 1 . 1 1 66 66 GLU CA C 391 59.943 59.943 59.142 0.801 17685 265 1 . 1 1 66 66 GLU CB C 391 29.119 29.119 29.321 -0.202 17685 266 1 . 1 1 66 66 GLU H H 391 8.318 8.318 8.585 -0.267 17685 267 1 . 1 1 67 67 GLU N N 392 121.747 121.747 119.854 1.893 17685 268 1 . 1 1 67 67 GLU HA H 392 4.151 4.151 4.151 -0.000 17685 269 1 . 1 1 67 67 GLU C C 392 180.544 180.544 179.100 1.444 17685 270 1 . 1 1 67 67 GLU CA C 392 58.307 58.307 58.492 -0.185 17685 271 1 . 1 1 67 67 GLU CB C 392 30.933 30.933 29.240 1.693 17685 272 1 . 1 1 67 67 GLU H H 392 8.709 8.709 7.934 0.775 17685 273 1 . 1 1 68 68 LEU N N 393 123.523 123.523 120.810 2.713 17685 274 1 . 1 1 68 68 LEU HA H 393 3.923 3.923 4.079 -0.156 17685 275 1 . 1 1 68 68 LEU C C 393 178.151 178.151 179.484 -1.333 17685 276 1 . 1 1 68 68 LEU CA C 393 58.642 58.642 57.928 0.714 17685 277 1 . 1 1 68 68 LEU CB C 393 42.304 42.304 41.596 0.708 17685 278 1 . 1 1 68 68 LEU H H 393 8.930 8.930 8.250 0.680 17685 279 1 . 1 1 69 69 VAL N N 394 118.071 118.071 118.638 -0.567 17685 280 1 . 1 1 69 69 VAL HA H 394 3.527 3.527 3.627 -0.100 17685 281 1 . 1 1 69 69 VAL C C 394 177.701 177.701 177.925 -0.224 17685 282 1 . 1 1 69 69 VAL CA C 394 66.494 66.494 66.174 0.320 17685 283 1 . 1 1 69 69 VAL CB C 394 32.103 32.103 31.084 1.019 17685 284 1 . 1 1 69 69 VAL H H 394 7.304 7.304 7.789 -0.485 17685 285 1 . 1 1 70 70 SER N N 395 112.686 112.686 115.541 -2.855 17685 286 1 . 1 1 70 70 SER HA H 395 4.238 4.238 4.173 0.065 17685 287 1 . 1 1 70 70 SER C C 395 177.618 177.618 176.757 0.861 17685 288 1 . 1 1 70 70 SER CA C 395 61.410 61.410 62.156 -0.746 17685 289 1 . 1 1 70 70 SER CB C 395 63.002 63.002 62.969 0.033 17685 290 1 . 1 1 70 70 SER H H 395 7.906 7.906 7.825 0.081 17685 291 1 . 1 1 71 71 THR N N 396 118.003 118.003 114.941 3.062 17685 292 1 . 1 1 71 71 THR HA H 396 3.767 3.767 4.006 -0.239 17685 293 1 . 1 1 71 71 THR C C 396 175.404 175.404 176.487 -1.083 17685 294 1 . 1 1 71 71 THR CA C 396 67.763 67.763 65.488 2.275 17685 295 1 . 1 1 71 71 THR CB C 396 68.498 68.498 68.765 -0.267 17685 296 1 . 1 1 71 71 THR H H 396 8.511 8.511 8.255 0.256 17685 297 1 . 1 1 72 72 ALA N N 397 123.373 123.373 124.602 -1.229 17685 298 1 . 1 1 72 72 ALA HA H 397 3.857 3.857 3.916 -0.059 17685 299 1 . 1 1 72 72 ALA C C 397 180.173 180.173 179.029 1.144 17685 300 1 . 1 1 72 72 ALA CA C 397 56.079 56.079 55.135 0.944 17685 301 1 . 1 1 72 72 ALA CB C 397 17.767 17.767 18.259 -0.492 17685 302 1 . 1 1 72 72 ALA H H 397 8.268 8.268 8.156 0.112 17685 303 1 . 1 1 73 73 ASP N N 398 118.963 118.963 118.010 0.953 17685 304 1 . 1 1 73 73 ASP HA H 398 4.382 4.382 4.333 0.049 17685 305 1 . 1 1 73 73 ASP C C 398 179.471 179.471 178.659 0.812 17685 306 1 . 1 1 73 73 ASP CA C 398 57.692 57.692 57.446 0.246 17685 307 1 . 1 1 73 73 ASP CB C 398 40.015 40.015 40.885 -0.870 17685 308 1 . 1 1 73 73 ASP H H 398 8.585 8.585 8.356 0.229 17685 309 1 . 1 1 74 74 LYS N N 399 120.591 120.591 118.769 1.822 17685 310 1 . 1 1 74 74 LYS HA H 399 4.050 4.050 4.093 -0.043 17685 311 1 . 1 1 74 74 LYS C C 399 180.082 180.082 179.065 1.017 17685 312 1 . 1 1 74 74 LYS CA C 399 60.001 60.001 58.700 1.301 17685 313 1 . 1 1 74 74 LYS CB C 399 34.080 34.080 32.259 1.821 17685 314 1 . 1 1 74 74 LYS H H 399 8.003 8.003 7.545 0.458 17685 315 1 . 1 1 75 75 ILE N N 400 120.602 120.602 119.709 0.893 17685 316 1 . 1 1 75 75 ILE HA H 400 3.687 3.687 3.906 -0.220 17685 317 1 . 1 1 75 75 ILE C C 400 177.770 177.770 178.067 -0.297 17685 318 1 . 1 1 75 75 ILE CA C 400 64.860 64.860 64.670 0.190 17685 319 1 . 1 1 75 75 ILE CB C 400 38.253 38.253 37.821 0.432 17685 320 1 . 1 1 75 75 ILE H H 400 7.877 7.877 7.832 0.045 17685 321 1 . 1 1 76 76 LYS N N 401 120.036 120.036 118.891 1.145 17685 322 1 . 1 1 76 76 LYS HA H 401 4.032 4.032 4.094 -0.062 17685 323 1 . 1 1 76 76 LYS C C 401 178.423 178.423 178.381 0.042 17685 324 1 . 1 1 76 76 LYS CA C 401 58.735 58.735 58.578 0.156 17685 325 1 . 1 1 76 76 LYS CB C 401 32.325 32.325 31.793 0.532 17685 326 1 . 1 1 76 76 LYS H H 401 8.260 8.260 7.955 0.305 17685 327 1 . 1 1 77 77 ALA N N 402 118.655 118.655 120.532 -1.877 17685 328 1 . 1 1 77 77 ALA HA H 402 4.205 4.205 4.284 -0.079 17685 329 1 . 1 1 77 77 ALA C C 402 177.949 177.949 177.928 0.021 17685 330 1 . 1 1 77 77 ALA CA C 402 53.673 53.673 53.428 0.245 17685 331 1 . 1 1 77 77 ALA CB C 402 19.018 19.018 19.445 -0.427 17685 332 1 . 1 1 77 77 ALA H H 402 7.564 7.564 7.558 0.006 17685 333 1 . 1 1 78 78 ASN N N 403 113.964 113.964 116.790 -2.826 17685 334 1 . 1 1 78 78 ASN HA H 403 4.841 4.841 4.833 0.008 17685 335 1 . 1 1 78 78 ASN C C 403 174.866 174.866 174.969 -0.103 17685 336 1 . 1 1 78 78 ASN CA C 403 52.485 52.485 52.768 -0.283 17685 337 1 . 1 1 78 78 ASN CB C 403 37.659 37.659 39.194 -1.535 17685 338 1 . 1 1 78 78 ASN H H 403 7.397 7.397 7.772 -0.374 17685 339 1 . 1 1 79 79 ALA N N 404 131.057 131.057 126.984 4.073 17685 340 1 . 1 1 79 79 ALA HA H 404 4.160 4.160 4.316 -0.156 17685 341 1 . 1 1 79 79 ALA C C 404 180.575 180.575 178.693 1.882 17685 342 1 . 1 1 79 79 ALA CA C 404 56.271 56.271 54.688 1.583 17685 343 1 . 1 1 79 79 ALA CB C 404 18.357 18.357 18.986 -0.629 17685 344 1 . 1 1 79 79 ALA H H 404 9.143 9.143 8.612 0.531 17685 345 1 . 1 1 80 80 ALA N N 405 117.862 117.862 119.534 -1.672 17685 346 1 . 1 1 80 80 ALA HA H 405 4.362 4.362 4.227 0.135 17685 347 1 . 1 1 80 80 ALA C C 405 179.218 179.218 178.150 1.068 17685 348 1 . 1 1 80 80 ALA CA C 405 53.931 53.931 53.461 0.470 17685 349 1 . 1 1 80 80 ALA CB C 405 18.226 18.226 18.821 -0.595 17685 350 1 . 1 1 80 80 ALA H H 405 8.315 8.315 8.156 0.159 17685 351 1 . 1 1 81 81 GLY N N 406 106.895 106.895 105.281 1.614 17685 352 1 . 1 1 81 81 GLY C C 406 175.175 175.175 174.365 0.810 17685 353 1 . 1 1 81 81 GLY CA C 406 45.363 45.363 43.990 1.373 17685 354 1 . 1 1 81 81 GLY H H 406 7.908 7.908 7.639 0.269 17685 355 1 . 1 1 82 82 ALA N N 407 120.775 120.775 124.522 -3.747 17685 356 1 . 1 1 82 82 ALA HA H 407 3.971 3.971 4.056 -0.085 17685 357 1 . 1 1 82 82 ALA C C 407 177.879 177.879 178.633 -0.754 17685 358 1 . 1 1 82 82 ALA CA C 407 56.076 56.076 55.399 0.677 17685 359 1 . 1 1 82 82 ALA CB C 407 19.120 19.120 18.959 0.161 17685 360 1 . 1 1 82 82 ALA H H 407 7.574 7.574 7.698 -0.124 17685 361 1 . 1 1 83 83 LYS N N 408 117.628 117.628 118.530 -0.902 17685 362 1 . 1 1 83 83 LYS HA H 408 3.352 3.352 3.937 -0.585 17685 363 1 . 1 1 83 83 LYS C C 408 178.064 178.064 178.040 0.024 17685 364 1 . 1 1 83 83 LYS CA C 408 61.404 61.404 59.719 1.685 17685 365 1 . 1 1 83 83 LYS CB C 408 31.311 31.311 31.614 -0.303 17685 366 1 . 1 1 83 83 LYS H H 408 8.755 8.755 8.379 0.376 17685 367 1 . 1 1 84 84 GLU N N 409 116.005 116.005 118.365 -2.360 17685 368 1 . 1 1 84 84 GLU HA H 409 3.994 3.994 4.068 -0.074 17685 369 1 . 1 1 84 84 GLU C C 409 179.508 179.508 178.580 0.928 17685 370 1 . 1 1 84 84 GLU CA C 409 59.300 59.300 59.032 0.268 17685 371 1 . 1 1 84 84 GLU CB C 409 28.978 28.978 28.597 0.381 17685 372 1 . 1 1 84 84 GLU H H 409 7.708 7.708 8.053 -0.345 17685 373 1 . 1 1 85 85 VAL N N 410 120.216 120.216 120.650 -0.434 17685 374 1 . 1 1 85 85 VAL HA H 410 3.786 3.786 3.746 0.040 17685 375 1 . 1 1 85 85 VAL C C 410 179.087 179.087 177.814 1.273 17685 376 1 . 1 1 85 85 VAL CA C 410 66.066 66.066 66.219 -0.153 17685 377 1 . 1 1 85 85 VAL CB C 410 32.060 32.060 31.628 0.432 17685 378 1 . 1 1 85 85 VAL H H 410 7.494 7.494 7.527 -0.033 17685 379 1 . 1 1 86 86 LEU N N 411 121.293 121.293 120.778 0.515 17685 380 1 . 1 1 86 86 LEU HA H 411 3.871 3.871 3.865 0.006 17685 381 1 . 1 1 86 86 LEU C C 411 178.844 178.844 179.198 -0.354 17685 382 1 . 1 1 86 86 LEU CA C 411 58.100 58.100 57.881 0.219 17685 383 1 . 1 1 86 86 LEU CB C 411 42.047 42.047 40.506 1.541 17685 384 1 . 1 1 86 86 LEU H H 411 8.371 8.371 8.032 0.339 17685 385 1 . 1 1 87 87 LYS N N 412 119.536 119.536 118.443 1.093 17685 386 1 . 1 1 87 87 LYS HA H 412 4.206 4.206 4.129 0.077 17685 387 1 . 1 1 87 87 LYS C C 412 179.347 179.347 179.071 0.276 17685 388 1 . 1 1 87 87 LYS CA C 412 60.924 60.924 59.968 0.956 17685 389 1 . 1 1 87 87 LYS CB C 412 32.216 32.216 32.099 0.117 17685 390 1 . 1 1 87 87 LYS H H 412 8.818 8.818 8.624 0.194 17685 391 1 . 1 1 88 88 GLU N N 413 120.780 120.780 119.870 0.910 17685 392 1 . 1 1 88 88 GLU HA H 413 4.127 4.127 4.111 0.016 17685 393 1 . 1 1 88 88 GLU C C 413 179.469 179.469 178.875 0.594 17685 394 1 . 1 1 88 88 GLU CA C 413 59.720 59.720 59.251 0.469 17685 395 1 . 1 1 88 88 GLU CB C 413 29.021 29.021 29.293 -0.272 17685 396 1 . 1 1 88 88 GLU H H 413 7.882 7.882 7.705 0.177 17685 397 1 . 1 1 89 89 SER N N 414 116.823 116.823 116.327 0.496 17685 398 1 . 1 1 89 89 SER HA H 414 3.765 3.765 4.136 -0.371 17685 399 1 . 1 1 89 89 SER C C 414 176.091 176.091 176.596 -0.505 17685 400 1 . 1 1 89 89 SER CA C 414 63.550 63.550 61.690 1.860 17685 401 1 . 1 1 89 89 SER CB C 414 63.718 63.718 62.789 0.929 17685 402 1 . 1 1 89 89 SER H H 414 8.296 8.296 8.113 0.183 17685 403 1 . 1 1 90 90 ALA N N 415 123.230 123.230 125.239 -2.009 17685 404 1 . 1 1 90 90 ALA HA H 415 3.831 3.831 3.867 -0.036 17685 405 1 . 1 1 90 90 ALA C C 415 177.963 177.963 179.216 -1.253 17685 406 1 . 1 1 90 90 ALA CA C 415 55.415 55.415 55.404 0.011 17685 407 1 . 1 1 90 90 ALA CB C 415 19.432 19.432 18.291 1.141 17685 408 1 . 1 1 90 90 ALA H H 415 8.805 8.805 8.424 0.381 17685 409 1 . 1 1 91 91 LYS N N 416 117.753 117.753 117.965 -0.212 17685 410 1 . 1 1 91 91 LYS HA H 416 3.972 3.972 4.075 -0.103 17685 411 1 . 1 1 91 91 LYS C C 416 178.198 178.198 179.168 -0.970 17685 412 1 . 1 1 91 91 LYS CA C 416 59.817 59.817 58.928 0.889 17685 413 1 . 1 1 91 91 LYS CB C 416 32.247 32.247 31.925 0.322 17685 414 1 . 1 1 91 91 LYS H H 416 8.085 8.085 8.001 0.084 17685 415 1 . 1 1 92 92 THR N N 417 114.597 114.597 116.805 -2.208 17685 416 1 . 1 1 92 92 THR HA H 417 4.075 4.075 4.081 -0.006 17685 417 1 . 1 1 92 92 THR C C 417 177.541 177.541 176.643 0.898 17685 418 1 . 1 1 92 92 THR CA C 417 66.473 66.473 66.619 -0.146 17685 419 1 . 1 1 92 92 THR CB C 417 69.070 69.070 68.436 0.634 17685 420 1 . 1 1 92 92 THR H H 417 7.923 7.923 7.676 0.247 17685 421 1 . 1 1 93 93 ILE N N 418 124.160 124.160 122.461 1.699 17685 422 1 . 1 1 93 93 ILE HA H 418 3.662 3.662 3.682 -0.020 17685 423 1 . 1 1 93 93 ILE C C 418 178.114 178.114 177.656 0.458 17685 424 1 . 1 1 93 93 ILE CA C 418 65.626 65.626 65.832 -0.206 17685 425 1 . 1 1 93 93 ILE CB C 418 38.297 38.297 37.643 0.654 17685 426 1 . 1 1 93 93 ILE H H 418 7.984 7.984 8.314 -0.330 17685 427 1 . 1 1 94 94 VAL N N 419 121.566 121.566 120.285 1.281 17685 428 1 . 1 1 94 94 VAL HA H 419 4.156 4.156 4.063 0.093 17685 429 1 . 1 1 94 94 VAL C C 419 181.424 181.424 178.701 2.723 17685 430 1 . 1 1 94 94 VAL CA C 419 65.808 65.808 65.392 0.416 17685 431 1 . 1 1 94 94 VAL CB C 419 31.892 31.892 31.381 0.511 17685 432 1 . 1 1 94 94 VAL H H 419 8.551 8.551 8.114 0.437 17685 433 1 . 1 1 95 95 ASP N N 420 123.788 123.788 120.572 3.216 17685 434 1 . 1 1 95 95 ASP HA H 420 4.477 4.477 4.462 0.015 17685 435 1 . 1 1 95 95 ASP C C 420 178.220 178.220 177.945 0.275 17685 436 1 . 1 1 95 95 ASP CA C 420 57.548 57.548 56.658 0.891 17685 437 1 . 1 1 95 95 ASP CB C 420 39.850 39.850 40.985 -1.135 17685 438 1 . 1 1 95 95 ASP H H 420 9.354 9.354 8.169 1.185 17685 439 1 . 1 1 96 96 SER N N 421 111.960 111.960 112.905 -0.945 17685 440 1 . 1 1 96 96 SER HA H 421 4.526 4.526 4.517 0.009 17685 441 1 . 1 1 96 96 SER C C 421 175.345 175.345 174.805 0.540 17685 442 1 . 1 1 96 96 SER CA C 421 59.433 59.433 58.575 0.858 17685 443 1 . 1 1 96 96 SER CB C 421 64.264 64.264 64.018 0.246 17685 444 1 . 1 1 96 96 SER H H 421 7.862 7.862 7.791 0.071 17685 445 1 . 1 1 97 97 GLY N N 422 110.240 110.240 109.326 0.914 17685 446 1 . 1 1 97 97 GLY C C 422 175.158 175.158 175.276 -0.118 17685 447 1 . 1 1 97 97 GLY CA C 422 45.606 45.606 46.007 -0.401 17685 448 1 . 1 1 97 97 GLY H H 422 8.063 8.063 7.619 0.444 17685 449 1 . 1 1 98 98 LYS N N 423 120.213 120.213 119.179 1.034 17685 450 1 . 1 1 98 98 LYS HA H 423 4.083 4.083 4.208 -0.125 17685 451 1 . 1 1 98 98 LYS C C 423 176.681 176.681 176.631 0.050 17685 452 1 . 1 1 98 98 LYS CA C 423 59.417 59.417 57.845 1.572 17685 453 1 . 1 1 98 98 LYS CB C 423 33.453 33.453 33.339 0.114 17685 454 1 . 1 1 98 98 LYS H H 423 7.992 7.992 8.269 -0.277 17685 455 1 . 1 1 99 99 LEU N N 424 114.357 114.357 119.262 -4.905 17685 456 1 . 1 1 99 99 LEU HA H 424 4.848 4.848 4.840 0.008 17685 457 1 . 1 1 99 99 LEU C C 424 174.161 174.161 174.034 0.127 17685 458 1 . 1 1 99 99 LEU CA C 424 52.225 52.225 51.621 0.604 17685 459 1 . 1 1 99 99 LEU CB C 424 46.075 46.075 44.147 1.928 17685 460 1 . 1 1 99 99 LEU H H 424 6.865 6.865 7.361 -0.496 17685 461 1 . 1 1 100 100 PRO HA H 425 4.650 4.650 4.706 -0.056 17685 462 1 . 1 1 100 100 PRO C C 425 177.559 177.559 178.042 -0.483 17685 463 1 . 1 1 100 100 PRO CA C 425 61.643 61.643 62.558 -0.915 17685 464 1 . 1 1 100 100 PRO CB C 425 32.422 32.422 32.387 0.035 17685 465 1 . 1 1 101 101 SER N N 426 117.043 117.043 118.731 -1.688 17685 466 1 . 1 1 101 101 SER HA H 426 3.824 3.824 4.094 -0.270 17685 467 1 . 1 1 101 101 SER C C 426 177.202 177.202 176.333 0.869 17685 468 1 . 1 1 101 101 SER CA C 426 61.708 61.708 61.728 -0.020 17685 469 1 . 1 1 101 101 SER CB C 426 62.706 62.706 62.442 0.264 17685 470 1 . 1 1 101 101 SER H H 426 8.999 8.999 8.728 0.271 17685 471 1 . 1 1 102 102 SER N N 427 114.761 114.761 117.361 -2.600 17685 472 1 . 1 1 102 102 SER HA H 427 4.112 4.112 4.341 -0.229 17685 473 1 . 1 1 102 102 SER C C 427 176.526 176.526 175.771 0.755 17685 474 1 . 1 1 102 102 SER CA C 427 60.650 60.650 60.965 -0.315 17685 475 1 . 1 1 102 102 SER CB C 427 62.213 62.213 62.804 -0.591 17685 476 1 . 1 1 102 102 SER H H 427 8.115 8.115 8.417 -0.302 17685 477 1 . 1 1 103 103 LEU N N 428 120.408 120.408 119.474 0.934 17685 478 1 . 1 1 103 103 LEU HA H 428 4.435 4.435 4.346 0.089 17685 479 1 . 1 1 103 103 LEU C C 428 176.698 176.698 176.312 0.386 17685 480 1 . 1 1 103 103 LEU CA C 428 55.847 55.847 55.822 0.025 17685 481 1 . 1 1 103 103 LEU CB C 428 42.586 42.586 42.133 0.453 17685 482 1 . 1 1 103 103 LEU H H 428 7.320 7.320 7.800 -0.480 17685 483 1 . 1 1 104 104 LEU N N 429 117.860 117.860 116.365 1.495 17685 484 1 . 1 1 104 104 LEU HA H 429 4.995 4.995 4.783 0.212 17685 485 1 . 1 1 104 104 LEU C C 429 178.320 178.320 177.527 0.793 17685 486 1 . 1 1 104 104 LEU CA C 429 52.672 52.672 54.068 -1.396 17685 487 1 . 1 1 104 104 LEU CB C 429 43.039 43.039 41.830 1.209 17685 488 1 . 1 1 104 104 LEU H H 429 7.325 7.325 7.732 -0.407 17685 489 1 . 1 1 105 105 SER N N 430 112.664 112.664 115.983 -3.319 17685 490 1 . 1 1 105 105 SER HA H 430 4.259 4.259 4.358 -0.099 17685 491 1 . 1 1 105 105 SER C C 430 175.288 175.288 175.582 -0.294 17685 492 1 . 1 1 105 105 SER CA C 430 61.247 61.247 61.071 0.176 17685 493 1 . 1 1 105 105 SER CB C 430 64.058 64.058 62.514 1.544 17685 494 1 . 1 1 105 105 SER H H 430 6.990 6.990 8.129 -1.139 17685 495 1 . 1 1 106 106 TYR N N 431 125.624 125.624 121.213 4.411 17685 496 1 . 1 1 106 106 TYR HA H 431 4.060 4.060 4.176 -0.116 17685 497 1 . 1 1 106 106 TYR C C 431 176.064 176.064 175.426 0.638 17685 498 1 . 1 1 106 106 TYR CA C 431 61.449 61.449 60.642 0.807 17685 499 1 . 1 1 106 106 TYR CB C 431 38.282 38.282 38.735 -0.453 17685 500 1 . 1 1 106 106 TYR H H 431 10.433 10.433 8.056 2.377 17685 501 1 . 1 1 107 107 PHE N N 432 113.203 113.203 113.326 -0.123 17685 502 1 . 1 1 107 107 PHE HA H 432 4.314 4.314 4.503 -0.189 17685 503 1 . 1 1 107 107 PHE C C 432 173.901 173.901 175.482 -1.581 17685 504 1 . 1 1 107 107 PHE CA C 432 59.810 59.810 59.362 0.448 17685 505 1 . 1 1 107 107 PHE CB C 432 43.249 43.249 40.274 2.975 17685 506 1 . 1 1 107 107 PHE H H 432 7.955 7.955 7.931 0.024 17685 stop_ save_