data_18297 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18297 _Entry.PDB_ID 2LQ7 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 18297 _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 2 2 SER HA H 347 4.570 4.570 4.629 -0.059 18297 2 1 1 . 1 1 2 2 SER C C 347 174.335 174.335 175.418 -1.083 18297 3 1 1 . 1 1 2 2 SER CA C 347 58.350 58.350 57.207 1.143 18297 4 1 1 . 1 1 2 2 SER CB C 347 63.999 63.999 64.722 -0.722 18297 5 1 1 . 1 1 3 3 GLN N N 348 122.478 122.478 121.754 0.724 18297 6 1 1 . 1 1 3 3 GLN HA H 348 4.430 4.430 4.359 0.071 18297 7 1 1 . 1 1 3 3 GLN C C 348 175.651 175.651 175.466 0.185 18297 8 1 1 . 1 1 3 3 GLN CA C 348 55.743 55.743 55.974 -0.231 18297 9 1 1 . 1 1 3 3 GLN CB C 348 29.750 29.750 28.558 1.192 18297 10 1 1 . 1 1 3 3 GLN H H 348 8.532 8.532 8.717 -0.185 18297 11 1 1 . 1 1 4 4 LEU N N 349 125.369 125.369 122.836 2.533 18297 12 1 1 . 1 1 4 4 LEU HA H 349 4.634 4.634 4.564 0.070 18297 13 1 1 . 1 1 4 4 LEU C C 349 175.324 175.324 174.907 0.417 18297 14 1 1 . 1 1 4 4 LEU CA C 349 53.197 53.197 52.463 0.734 18297 15 1 1 . 1 1 4 4 LEU CB C 349 41.867 41.867 41.367 0.500 18297 16 1 1 . 1 1 4 4 LEU H H 349 8.403 8.403 7.528 0.875 18297 17 1 1 . 1 1 5 5 PRO HA H 350 4.360 4.360 4.369 -0.009 18297 18 1 1 . 1 1 5 5 PRO C C 350 176.639 176.639 175.883 0.756 18297 19 1 1 . 1 1 5 5 PRO CA C 350 62.748 62.748 62.474 0.274 18297 20 1 1 . 1 1 5 5 PRO CB C 350 32.319 32.319 32.193 0.126 18297 21 1 1 . 1 1 6 6 GLN N N 351 121.707 121.707 122.687 -0.980 18297 22 1 1 . 1 1 6 6 GLN HA H 351 4.428 4.428 4.400 0.028 18297 23 1 1 . 1 1 6 6 GLN C C 351 175.898 175.898 175.576 0.322 18297 24 1 1 . 1 1 6 6 GLN CA C 351 55.678 55.678 54.088 1.590 18297 25 1 1 . 1 1 6 6 GLN CB C 351 30.054 30.054 29.706 0.348 18297 26 1 1 . 1 1 6 6 GLN H H 351 8.255 8.255 8.625 -0.370 18297 27 1 1 . 1 1 7 7 ASN N N 352 123.275 123.275 120.170 3.105 18297 28 1 1 . 1 1 7 7 ASN HA H 352 5.470 5.470 5.687 -0.217 18297 29 1 1 . 1 1 7 7 ASN C C 352 175.324 175.324 174.574 0.750 18297 30 1 1 . 1 1 7 7 ASN CA C 352 54.009 54.009 52.220 1.789 18297 31 1 1 . 1 1 7 7 ASN CB C 352 40.414 40.414 40.536 -0.122 18297 32 1 1 . 1 1 7 7 ASN H H 352 8.860 8.860 8.589 0.271 18297 33 1 1 . 1 1 8 8 ILE N N 353 119.104 119.104 114.879 4.225 18297 34 1 1 . 1 1 8 8 ILE HA H 353 4.625 4.625 4.742 -0.117 18297 35 1 1 . 1 1 8 8 ILE C C 353 173.669 173.669 173.788 -0.119 18297 36 1 1 . 1 1 8 8 ILE CA C 353 60.201 60.201 59.752 0.449 18297 37 1 1 . 1 1 8 8 ILE CB C 353 41.404 41.404 41.910 -0.506 18297 38 1 1 . 1 1 8 8 ILE H H 353 8.808 8.808 8.998 -0.190 18297 39 1 1 . 1 1 9 9 GLN N N 354 122.671 122.671 123.396 -0.725 18297 40 1 1 . 1 1 9 9 GLN HA H 354 5.586 5.586 5.397 0.189 18297 41 1 1 . 1 1 9 9 GLN C C 354 174.274 174.274 174.301 -0.027 18297 42 1 1 . 1 1 9 9 GLN CA C 354 54.491 54.491 54.215 0.276 18297 43 1 1 . 1 1 9 9 GLN CB C 354 31.120 31.120 32.068 -0.948 18297 44 1 1 . 1 1 9 9 GLN H H 354 8.021 8.021 8.432 -0.411 18297 45 1 1 . 1 1 10 10 PHE N N 355 120.679 120.679 124.018 -3.339 18297 46 1 1 . 1 1 10 10 PHE HA H 355 4.635 4.635 4.736 -0.101 18297 47 1 1 . 1 1 10 10 PHE C C 355 174.715 174.715 174.245 0.470 18297 48 1 1 . 1 1 10 10 PHE CA C 355 57.226 57.226 56.227 1.000 18297 49 1 1 . 1 1 10 10 PHE CB C 355 45.969 45.969 43.494 2.475 18297 50 1 1 . 1 1 10 10 PHE H H 355 8.403 8.403 9.123 -0.720 18297 51 1 1 . 1 1 11 11 SER N N 356 116.116 116.116 117.885 -1.769 18297 52 1 1 . 1 1 11 11 SER HA H 356 5.020 5.020 5.138 -0.118 18297 53 1 1 . 1 1 11 11 SER C C 356 174.917 174.917 174.029 0.888 18297 54 1 1 . 1 1 11 11 SER CA C 356 56.110 56.110 56.078 0.032 18297 55 1 1 . 1 1 11 11 SER CB C 356 63.879 63.879 63.431 0.448 18297 56 1 1 . 1 1 11 11 SER H H 356 8.757 8.757 8.704 0.053 18297 57 1 1 . 1 1 12 12 PRO HA H 357 3.776 3.776 3.954 -0.178 18297 58 1 1 . 1 1 12 12 PRO C C 357 176.155 176.155 177.595 -1.440 18297 59 1 1 . 1 1 12 12 PRO CA C 357 64.886 64.886 64.930 -0.044 18297 60 1 1 . 1 1 12 12 PRO CB C 357 31.222 31.222 31.515 -0.293 18297 61 1 1 . 1 1 13 13 SER N N 358 107.859 107.859 110.884 -3.025 18297 62 1 1 . 1 1 13 13 SER HA H 358 4.388 4.388 4.421 -0.033 18297 63 1 1 . 1 1 13 13 SER C C 358 173.972 173.972 173.908 0.064 18297 64 1 1 . 1 1 13 13 SER CA C 358 57.728 57.728 58.531 -0.803 18297 65 1 1 . 1 1 13 13 SER CB C 358 63.879 63.879 63.113 0.766 18297 66 1 1 . 1 1 13 13 SER H H 358 7.636 7.636 8.227 -0.591 18297 67 1 1 . 1 1 14 14 ALA N N 359 126.012 126.012 125.412 0.600 18297 68 1 1 . 1 1 14 14 ALA HA H 359 4.320 4.320 4.602 -0.282 18297 69 1 1 . 1 1 14 14 ALA C C 359 177.288 177.288 176.295 0.993 18297 70 1 1 . 1 1 14 14 ALA CA C 359 52.849 52.849 52.107 0.742 18297 71 1 1 . 1 1 14 14 ALA CB C 359 19.372 19.372 20.422 -1.050 18297 72 1 1 . 1 1 14 14 ALA H H 359 7.937 7.937 7.965 -0.028 18297 73 1 1 . 1 1 15 15 LYS N N 360 119.699 119.699 121.918 -2.219 18297 74 1 1 . 1 1 15 15 LYS HA H 360 4.751 4.751 4.806 -0.055 18297 75 1 1 . 1 1 15 15 LYS C C 360 179.638 179.638 177.734 1.904 18297 76 1 1 . 1 1 15 15 LYS CA C 360 54.815 54.815 54.463 0.352 18297 77 1 1 . 1 1 15 15 LYS CB C 360 33.127 33.127 33.248 -0.121 18297 78 1 1 . 1 1 15 15 LYS H H 360 8.523 8.523 9.147 -0.624 18297 79 1 1 . 1 1 16 16 LEU N N 361 123.297 123.297 122.940 0.357 18297 80 1 1 . 1 1 16 16 LEU HA H 361 3.828 3.828 3.940 -0.112 18297 81 1 1 . 1 1 16 16 LEU C C 361 178.714 178.714 178.257 0.457 18297 82 1 1 . 1 1 16 16 LEU CA C 361 58.321 58.321 57.999 0.321 18297 83 1 1 . 1 1 16 16 LEU CB C 361 40.240 40.240 41.759 -1.519 18297 84 1 1 . 1 1 16 16 LEU H H 361 8.383 8.383 8.007 0.376 18297 85 1 1 . 1 1 17 17 GLN N N 362 117.900 117.900 117.927 -0.027 18297 86 1 1 . 1 1 17 17 GLN HA H 362 3.621 3.621 3.963 -0.342 18297 87 1 1 . 1 1 17 17 GLN C C 362 176.370 176.370 178.230 -1.860 18297 88 1 1 . 1 1 17 17 GLN CA C 362 58.547 58.547 58.848 -0.301 18297 89 1 1 . 1 1 17 17 GLN CB C 362 29.442 29.442 27.608 1.834 18297 90 1 1 . 1 1 17 17 GLN H H 362 8.766 8.766 7.643 1.123 18297 91 1 1 . 1 1 18 18 GLU N N 363 116.341 116.341 120.389 -4.048 18297 92 1 1 . 1 1 18 18 GLU HA H 363 4.201 4.201 4.306 -0.105 18297 93 1 1 . 1 1 18 18 GLU C C 363 180.135 180.135 178.963 1.172 18297 94 1 1 . 1 1 18 18 GLU CA C 363 59.669 59.669 58.822 0.847 18297 95 1 1 . 1 1 18 18 GLU CB C 363 29.870 29.870 29.274 0.596 18297 96 1 1 . 1 1 18 18 GLU H H 363 7.783 7.783 8.225 -0.442 18297 97 1 1 . 1 1 19 19 VAL N N 364 120.647 120.647 119.570 1.077 18297 98 1 1 . 1 1 19 19 VAL HA H 364 3.421 3.421 3.753 -0.332 18297 99 1 1 . 1 1 19 19 VAL C C 364 177.380 177.380 177.812 -0.432 18297 100 1 1 . 1 1 19 19 VAL CA C 364 65.433 65.433 66.358 -0.925 18297 101 1 1 . 1 1 19 19 VAL CB C 364 30.964 30.964 31.267 -0.303 18297 102 1 1 . 1 1 19 19 VAL H H 364 7.224 7.224 7.408 -0.184 18297 103 1 1 . 1 1 20 20 LEU N N 365 120.743 120.743 119.375 1.368 18297 104 1 1 . 1 1 20 20 LEU HA H 365 3.916 3.916 3.900 0.016 18297 105 1 1 . 1 1 20 20 LEU C C 365 178.974 178.974 178.768 0.206 18297 106 1 1 . 1 1 20 20 LEU CA C 365 58.612 58.612 57.988 0.624 18297 107 1 1 . 1 1 20 20 LEU CB C 365 41.425 41.425 41.329 0.096 18297 108 1 1 . 1 1 20 20 LEU H H 365 7.517 7.517 7.235 0.282 18297 109 1 1 . 1 1 21 21 ASP N N 366 119.329 119.329 119.041 0.288 18297 110 1 1 . 1 1 21 21 ASP HA H 366 4.306 4.306 4.603 -0.297 18297 111 1 1 . 1 1 21 21 ASP C C 366 177.992 177.992 179.281 -1.289 18297 112 1 1 . 1 1 21 21 ASP CA C 366 57.405 57.405 57.929 -0.524 18297 113 1 1 . 1 1 21 21 ASP CB C 366 40.265 40.265 40.859 -0.594 18297 114 1 1 . 1 1 21 21 ASP H H 366 8.805 8.805 7.737 1.068 18297 115 1 1 . 1 1 22 22 TYR N N 367 121.643 121.643 120.982 0.661 18297 116 1 1 . 1 1 22 22 TYR HA H 367 4.305 4.305 4.230 0.075 18297 117 1 1 . 1 1 22 22 TYR C C 367 177.701 177.701 176.968 0.733 18297 118 1 1 . 1 1 22 22 TYR CA C 367 61.777 61.777 60.782 0.995 18297 119 1 1 . 1 1 22 22 TYR CB C 367 38.801 38.801 38.895 -0.094 18297 120 1 1 . 1 1 22 22 TYR H H 367 7.718 7.718 7.919 -0.201 18297 121 1 1 . 1 1 23 23 LEU N N 368 118.414 118.414 119.065 -0.651 18297 122 1 1 . 1 1 23 23 LEU HA H 368 3.910 3.910 4.067 -0.157 18297 123 1 1 . 1 1 23 23 LEU C C 368 178.019 178.019 177.860 0.159 18297 124 1 1 . 1 1 23 23 LEU CA C 368 57.773 57.773 57.433 0.340 18297 125 1 1 . 1 1 23 23 LEU CB C 368 42.032 42.032 42.384 -0.352 18297 126 1 1 . 1 1 23 23 LEU H H 368 8.060 8.060 8.010 0.050 18297 127 1 1 . 1 1 24 24 THR N N 369 106.606 106.606 109.970 -3.364 18297 128 1 1 . 1 1 24 24 THR HA H 369 4.507 4.507 4.349 0.158 18297 129 1 1 . 1 1 24 24 THR C C 369 176.576 176.576 173.925 2.651 18297 130 1 1 . 1 1 24 24 THR CA C 369 63.245 63.245 63.517 -0.273 18297 131 1 1 . 1 1 24 24 THR CB C 369 70.517 70.517 70.110 0.407 18297 132 1 1 . 1 1 24 24 THR H H 369 8.017 8.017 7.667 0.350 18297 133 1 1 . 1 1 25 25 ASN N N 370 118.847 118.847 119.762 -0.915 18297 134 1 1 . 1 1 25 25 ASN HA H 370 4.846 4.846 4.901 -0.055 18297 135 1 1 . 1 1 25 25 ASN C C 370 176.455 176.455 174.930 1.525 18297 136 1 1 . 1 1 25 25 ASN CA C 370 53.944 53.944 52.472 1.472 18297 137 1 1 . 1 1 25 25 ASN CB C 370 39.718 39.718 41.478 -1.760 18297 138 1 1 . 1 1 25 25 ASN H H 370 8.149 8.149 8.471 -0.322 18297 139 1 1 . 1 1 26 26 SER N N 371 116.888 116.888 118.873 -1.985 18297 140 1 1 . 1 1 26 26 SER HA H 371 4.375 4.375 4.412 -0.037 18297 141 1 1 . 1 1 26 26 SER C C 371 176.257 176.257 175.209 1.048 18297 142 1 1 . 1 1 26 26 SER CA C 371 59.603 59.603 61.174 -1.571 18297 143 1 1 . 1 1 26 26 SER CB C 371 63.792 63.792 63.603 0.189 18297 144 1 1 . 1 1 26 26 SER H H 371 7.889 7.889 8.741 -0.852 18297 145 1 1 . 1 1 27 27 ALA N N 372 128.743 128.743 122.026 6.717 18297 146 1 1 . 1 1 27 27 ALA HA H 372 4.228 4.228 4.355 -0.127 18297 147 1 1 . 1 1 27 27 ALA C C 372 178.538 178.538 179.916 -1.378 18297 148 1 1 . 1 1 27 27 ALA CA C 372 54.491 54.491 54.369 0.122 18297 149 1 1 . 1 1 27 27 ALA CB C 372 18.772 18.772 18.276 0.496 18297 150 1 1 . 1 1 27 27 ALA H H 372 8.836 8.836 8.354 0.482 18297 151 1 1 . 1 1 28 28 SER N N 373 110.751 110.751 113.751 -3.000 18297 152 1 1 . 1 1 28 28 SER HA H 373 4.426 4.426 4.398 0.028 18297 153 1 1 . 1 1 28 28 SER C C 373 174.548 174.548 175.057 -0.509 18297 154 1 1 . 1 1 28 28 SER CA C 373 59.415 59.415 60.156 -0.741 18297 155 1 1 . 1 1 28 28 SER CB C 373 63.394 63.394 63.108 0.285 18297 156 1 1 . 1 1 28 28 SER H H 373 8.069 8.069 8.269 -0.200 18297 157 1 1 . 1 1 29 29 LEU N N 374 122.012 122.012 119.849 2.163 18297 158 1 1 . 1 1 29 29 LEU HA H 374 4.465 4.465 4.446 0.019 18297 159 1 1 . 1 1 29 29 LEU C C 374 175.716 175.716 177.122 -1.406 18297 160 1 1 . 1 1 29 29 LEU CA C 374 56.132 56.132 54.159 1.973 18297 161 1 1 . 1 1 29 29 LEU CB C 374 44.295 44.295 41.346 2.949 18297 162 1 1 . 1 1 29 29 LEU H H 374 7.547 7.547 7.835 -0.288 18297 163 1 1 . 1 1 30 30 GLN N N 375 116.052 116.052 118.897 -2.845 18297 164 1 1 . 1 1 30 30 GLN HA H 375 4.003 4.003 4.074 -0.071 18297 165 1 1 . 1 1 30 30 GLN C C 375 175.498 175.498 177.118 -1.620 18297 166 1 1 . 1 1 30 30 GLN CA C 375 56.434 56.434 58.800 -2.366 18297 167 1 1 . 1 1 30 30 GLN CB C 375 27.948 27.948 28.654 -0.706 18297 168 1 1 . 1 1 30 30 GLN H H 375 8.060 8.060 7.626 0.434 18297 169 1 1 . 1 1 31 31 MET N N 376 117.691 117.691 110.440 7.251 18297 170 1 1 . 1 1 31 31 MET HA H 376 4.283 4.283 4.828 -0.545 18297 171 1 1 . 1 1 31 31 MET C C 376 175.843 175.843 176.676 -0.833 18297 172 1 1 . 1 1 31 31 MET CA C 376 57.728 57.728 56.424 1.304 18297 173 1 1 . 1 1 31 31 MET CB C 376 33.451 33.451 33.443 0.008 18297 174 1 1 . 1 1 31 31 MET H H 376 8.211 8.211 7.997 0.214 18297 175 1 1 . 1 1 32 32 LYS N N 377 122.028 122.028 121.189 0.839 18297 176 1 1 . 1 1 32 32 LYS HA H 377 4.414 4.414 4.312 0.102 18297 177 1 1 . 1 1 32 32 LYS C C 377 177.837 177.837 176.060 1.777 18297 178 1 1 . 1 1 32 32 LYS CA C 377 58.052 58.052 56.323 1.729 18297 179 1 1 . 1 1 32 32 LYS CB C 377 34.994 34.994 32.069 2.925 18297 180 1 1 . 1 1 32 32 LYS H H 377 9.461 9.461 8.073 1.388 18297 181 1 1 . 1 1 33 33 SER N N 378 115.056 115.056 115.808 -0.752 18297 182 1 1 . 1 1 33 33 SER HA H 378 4.650 4.650 4.419 0.231 18297 183 1 1 . 1 1 33 33 SER C C 378 172.026 172.026 173.171 -1.145 18297 184 1 1 . 1 1 33 33 SER CA C 378 55.038 55.038 56.496 -1.458 18297 185 1 1 . 1 1 33 33 SER CB C 378 62.908 62.908 62.466 0.442 18297 186 1 1 . 1 1 33 33 SER H H 378 10.101 10.101 7.873 2.228 18297 187 1 1 . 1 1 34 34 PRO HA H 379 5.043 5.043 4.198 0.845 18297 188 1 1 . 1 1 34 34 PRO C C 379 175.422 175.422 175.114 0.308 18297 189 1 1 . 1 1 34 34 PRO CA C 379 63.792 63.792 63.266 0.526 18297 190 1 1 . 1 1 34 34 PRO CB C 379 33.703 33.703 32.342 1.361 18297 191 1 1 . 1 1 35 35 ALA N N 380 121.498 121.498 123.982 -2.484 18297 192 1 1 . 1 1 35 35 ALA HA H 380 5.137 5.137 4.435 0.702 18297 193 1 1 . 1 1 35 35 ALA C C 380 177.313 177.313 175.695 1.618 18297 194 1 1 . 1 1 35 35 ALA CA C 380 50.661 50.661 50.610 0.051 18297 195 1 1 . 1 1 35 35 ALA CB C 380 22.118 22.118 21.557 0.561 18297 196 1 1 . 1 1 35 35 ALA H H 380 8.894 8.894 8.850 0.044 18297 197 1 1 . 1 1 36 36 ILE N N 381 120.470 120.470 125.390 -4.920 18297 198 1 1 . 1 1 36 36 ILE HA H 381 4.967 4.967 4.837 0.130 18297 199 1 1 . 1 1 36 36 ILE C C 381 175.314 175.314 175.554 -0.240 18297 200 1 1 . 1 1 36 36 ILE CA C 381 61.056 61.056 60.107 0.949 18297 201 1 1 . 1 1 36 36 ILE CB C 381 41.364 41.364 39.996 1.368 18297 202 1 1 . 1 1 36 36 ILE H H 381 9.038 9.038 8.821 0.217 18297 203 1 1 . 1 1 37 37 THR N N 382 123.297 123.297 123.757 -0.460 18297 204 1 1 . 1 1 37 37 THR HA H 382 5.252 5.252 4.988 0.264 18297 205 1 1 . 1 1 37 37 THR C C 382 172.289 172.289 172.629 -0.340 18297 206 1 1 . 1 1 37 37 THR CA C 382 60.977 60.977 61.121 -0.144 18297 207 1 1 . 1 1 37 37 THR CB C 382 71.919 71.919 71.130 0.788 18297 208 1 1 . 1 1 37 37 THR H H 382 9.363 9.363 9.215 0.148 18297 209 1 1 . 1 1 38 38 ALA N N 383 123.340 123.340 127.636 -4.296 18297 210 1 1 . 1 1 38 38 ALA HA H 383 4.935 4.935 4.940 -0.005 18297 211 1 1 . 1 1 38 38 ALA C C 383 175.743 175.743 175.085 0.658 18297 212 1 1 . 1 1 38 38 ALA CA C 383 51.147 51.147 50.628 0.519 18297 213 1 1 . 1 1 38 38 ALA CB C 383 22.758 22.758 23.139 -0.381 18297 214 1 1 . 1 1 38 38 ALA H H 383 8.896 8.896 9.274 -0.378 18297 215 1 1 . 1 1 39 39 THR N N 384 118.815 118.815 117.218 1.597 18297 216 1 1 . 1 1 39 39 THR HA H 384 4.892 4.892 5.053 -0.161 18297 217 1 1 . 1 1 39 39 THR C C 384 174.098 174.098 174.166 -0.068 18297 218 1 1 . 1 1 39 39 THR CA C 384 62.310 62.310 61.093 1.217 18297 219 1 1 . 1 1 39 39 THR CB C 384 69.263 69.263 69.721 -0.458 18297 220 1 1 . 1 1 39 39 THR H H 384 8.968 8.968 8.704 0.264 18297 221 1 1 . 1 1 40 40 LEU N N 385 128.711 128.711 129.637 -0.926 18297 222 1 1 . 1 1 40 40 LEU HA H 385 4.791 4.791 4.753 0.038 18297 223 1 1 . 1 1 40 40 LEU C C 385 176.479 176.479 176.175 0.304 18297 224 1 1 . 1 1 40 40 LEU CA C 385 53.944 53.944 53.870 0.074 18297 225 1 1 . 1 1 40 40 LEU CB C 385 44.966 44.966 43.794 1.173 18297 226 1 1 . 1 1 40 40 LEU H H 385 8.667 8.667 9.236 -0.569 18297 227 1 1 . 1 1 41 41 GLU N N 386 124.470 124.470 126.326 -1.856 18297 228 1 1 . 1 1 41 41 GLU HA H 386 3.936 3.936 3.959 -0.023 18297 229 1 1 . 1 1 41 41 GLU C C 386 176.878 176.878 176.528 0.350 18297 230 1 1 . 1 1 41 41 GLU CA C 386 57.226 57.226 56.842 0.384 18297 231 1 1 . 1 1 41 41 GLU CB C 386 27.735 27.735 28.053 -0.318 18297 232 1 1 . 1 1 41 41 GLU H H 386 9.547 9.547 9.483 0.064 18297 233 1 1 . 1 1 42 42 GLY N N 387 104.068 104.068 103.578 0.490 18297 234 1 1 . 1 1 42 42 GLY C C 387 173.993 173.993 173.726 0.267 18297 235 1 1 . 1 1 42 42 GLY CA C 387 45.596 45.596 44.986 0.611 18297 236 1 1 . 1 1 42 42 GLY H H 387 8.578 8.578 8.727 -0.149 18297 237 1 1 . 1 1 43 43 LYS N N 388 120.422 120.422 121.262 -0.840 18297 238 1 1 . 1 1 43 43 LYS HA H 388 4.701 4.701 4.598 0.103 18297 239 1 1 . 1 1 43 43 LYS C C 388 175.054 175.054 174.536 0.518 18297 240 1 1 . 1 1 43 43 LYS CA C 388 54.491 54.491 54.889 -0.398 18297 241 1 1 . 1 1 43 43 LYS CB C 388 34.968 34.968 35.308 -0.340 18297 242 1 1 . 1 1 43 43 LYS H H 388 7.826 7.826 7.621 0.205 18297 243 1 1 . 1 1 44 44 ASN N N 389 122.606 122.606 122.069 0.537 18297 244 1 1 . 1 1 44 44 ASN HA H 389 4.895 4.895 4.776 0.119 18297 245 1 1 . 1 1 44 44 ASN C C 389 174.905 174.905 174.711 0.194 18297 246 1 1 . 1 1 44 44 ASN CA C 389 53.944 53.944 53.594 0.350 18297 247 1 1 . 1 1 44 44 ASN CB C 389 39.229 39.229 39.307 -0.078 18297 248 1 1 . 1 1 44 44 ASN H H 389 8.827 8.827 8.797 0.030 18297 249 1 1 . 1 1 45 45 ARG N N 390 125.867 125.867 128.652 -2.785 18297 250 1 1 . 1 1 45 45 ARG HA H 390 4.756 4.756 4.715 0.041 18297 251 1 1 . 1 1 45 45 ARG C C 390 175.224 175.224 174.935 0.289 18297 252 1 1 . 1 1 45 45 ARG CA C 390 54.491 54.491 54.325 0.166 18297 253 1 1 . 1 1 45 45 ARG CB C 390 32.973 32.973 32.812 0.161 18297 254 1 1 . 1 1 45 45 ARG H H 390 9.220 9.220 9.156 0.064 18297 255 1 1 . 1 1 46 46 THR N N 391 122.574 122.574 122.599 -0.025 18297 256 1 1 . 1 1 46 46 THR HA H 391 4.289 4.289 4.426 -0.137 18297 257 1 1 . 1 1 46 46 THR C C 391 174.010 174.010 174.180 -0.170 18297 258 1 1 . 1 1 46 46 THR CA C 391 63.509 63.509 63.111 0.398 18297 259 1 1 . 1 1 46 46 THR CB C 391 68.716 68.716 69.450 -0.734 18297 260 1 1 . 1 1 46 46 THR H H 391 8.940 8.940 8.842 0.098 18297 261 1 1 . 1 1 47 47 LEU N N 392 128.647 128.647 126.984 1.663 18297 262 1 1 . 1 1 47 47 LEU HA H 392 4.339 4.339 4.316 0.023 18297 263 1 1 . 1 1 47 47 LEU C C 392 176.670 176.670 176.573 0.097 18297 264 1 1 . 1 1 47 47 LEU CA C 392 56.132 56.132 56.004 0.128 18297 265 1 1 . 1 1 47 47 LEU CB C 392 42.678 42.678 42.495 0.183 18297 266 1 1 . 1 1 47 47 LEU H H 392 9.096 9.096 8.725 0.371 18297 267 1 1 . 1 1 48 48 TYR N N 393 113.514 113.514 118.522 -5.008 18297 268 1 1 . 1 1 48 48 TYR HA H 393 4.618 4.618 4.305 0.313 18297 269 1 1 . 1 1 48 48 TYR C C 393 173.455 173.455 175.703 -2.248 18297 270 1 1 . 1 1 48 48 TYR CA C 393 59.415 59.415 59.987 -0.572 18297 271 1 1 . 1 1 48 48 TYR CB C 393 41.384 41.384 39.745 1.639 18297 272 1 1 . 1 1 48 48 TYR H H 393 7.562 7.562 7.518 0.044 18297 273 1 1 . 1 1 57 57 GLU N N 402 128.181 128.181 119.054 9.127 18297 274 1 1 . 1 1 57 57 GLU H H 402 8.645 8.645 8.058 0.587 18297 275 1 1 . 1 1 58 58 ARG N N 403 117.080 117.080 119.186 -2.106 18297 276 1 1 . 1 1 58 58 ARG HA H 403 4.302 4.302 4.129 0.173 18297 277 1 1 . 1 1 58 58 ARG CA C 403 58.321 58.321 56.197 2.124 18297 278 1 1 . 1 1 58 58 ARG CB C 403 31.165 31.165 29.479 1.686 18297 279 1 1 . 1 1 58 58 ARG H H 403 8.278 8.278 8.444 -0.166 18297 280 1 1 . 1 1 59 59 THR N N 404 108.390 108.390 115.492 -7.102 18297 281 1 1 . 1 1 59 59 THR HA H 404 4.932 4.932 4.067 0.865 18297 282 1 1 . 1 1 59 59 THR H H 404 8.301 8.301 8.311 -0.010 18297 283 1 1 . 1 1 60 60 ARG N N 405 126.639 126.639 118.489 8.150 18297 284 1 1 . 1 1 60 60 ARG H H 405 8.549 8.549 7.935 0.614 18297 285 1 1 . 1 1 61 61 PRO HA H 406 4.431 4.431 4.264 0.167 18297 286 1 1 . 1 1 61 61 PRO C C 406 178.434 178.434 177.457 0.977 18297 287 1 1 . 1 1 61 61 PRO CA C 406 65.980 65.980 65.249 0.731 18297 288 1 1 . 1 1 61 61 PRO CB C 406 31.348 31.348 31.734 -0.386 18297 289 1 1 . 1 1 62 62 ASN N N 407 114.574 114.574 116.542 -1.968 18297 290 1 1 . 1 1 62 62 ASN HA H 407 4.390 4.390 4.386 0.004 18297 291 1 1 . 1 1 62 62 ASN C C 407 177.863 177.863 176.223 1.640 18297 292 1 1 . 1 1 62 62 ASN CA C 407 55.308 55.308 55.115 0.193 18297 293 1 1 . 1 1 62 62 ASN CB C 407 37.530 37.530 36.719 0.811 18297 294 1 1 . 1 1 62 62 ASN H H 407 8.481 8.481 8.726 -0.245 18297 295 1 1 . 1 1 63 63 LEU N N 408 115.667 115.667 119.043 -3.376 18297 296 1 1 . 1 1 63 63 LEU HA H 408 3.861 3.861 4.300 -0.439 18297 297 1 1 . 1 1 63 63 LEU C C 408 177.708 177.708 178.879 -1.171 18297 298 1 1 . 1 1 63 63 LEU CA C 408 57.667 57.667 56.519 1.148 18297 299 1 1 . 1 1 63 63 LEU CB C 408 41.706 41.706 41.921 -0.215 18297 300 1 1 . 1 1 63 63 LEU H H 408 8.022 8.022 7.783 0.239 18297 301 1 1 . 1 1 64 64 SER N N 409 109.209 109.209 114.070 -4.861 18297 302 1 1 . 1 1 64 64 SER HA H 409 4.588 4.588 4.281 0.307 18297 303 1 1 . 1 1 64 64 SER C C 409 173.870 173.870 174.720 -0.850 18297 304 1 1 . 1 1 64 64 SER CA C 409 58.321 58.321 60.302 -1.981 18297 305 1 1 . 1 1 64 64 SER CB C 409 63.855 63.855 63.150 0.705 18297 306 1 1 . 1 1 64 64 SER H H 409 7.232 7.232 7.640 -0.408 18297 307 1 1 . 1 1 65 65 LYS N N 410 122.735 122.735 119.738 2.997 18297 308 1 1 . 1 1 65 65 LYS HA H 410 4.609 4.609 4.393 0.216 18297 309 1 1 . 1 1 65 65 LYS C C 410 175.946 175.946 175.712 0.234 18297 310 1 1 . 1 1 65 65 LYS CA C 410 55.463 55.463 55.379 0.084 18297 311 1 1 . 1 1 65 65 LYS CB C 410 34.422 34.422 33.958 0.464 18297 312 1 1 . 1 1 65 65 LYS H H 410 7.543 7.543 7.374 0.169 18297 313 1 1 . 1 1 66 66 THR N N 411 110.944 110.944 111.443 -0.499 18297 314 1 1 . 1 1 66 66 THR HA H 411 5.003 5.003 4.675 0.328 18297 315 1 1 . 1 1 66 66 THR C C 411 176.038 176.038 176.553 -0.515 18297 316 1 1 . 1 1 66 66 THR CA C 411 60.221 60.221 60.584 -0.363 18297 317 1 1 . 1 1 66 66 THR CB C 411 70.956 70.956 70.897 0.059 18297 318 1 1 . 1 1 66 66 THR H H 411 8.980 8.980 8.162 0.818 18297 319 1 1 . 1 1 67 67 LEU N N 412 118.076 118.076 121.053 -2.977 18297 320 1 1 . 1 1 67 67 LEU HA H 412 3.961 3.961 3.999 -0.038 18297 321 1 1 . 1 1 67 67 LEU C C 412 179.227 179.227 178.755 0.472 18297 322 1 1 . 1 1 67 67 LEU CA C 412 58.321 58.321 58.560 -0.240 18297 323 1 1 . 1 1 67 67 LEU CB C 412 39.914 39.914 41.402 -1.488 18297 324 1 1 . 1 1 67 67 LEU H H 412 8.434 8.434 9.084 -0.650 18297 325 1 1 . 1 1 68 68 LYS N N 413 116.373 116.373 120.452 -4.079 18297 326 1 1 . 1 1 68 68 LYS HA H 413 4.285 4.285 3.888 0.397 18297 327 1 1 . 1 1 68 68 LYS C C 413 181.338 181.338 179.695 1.643 18297 328 1 1 . 1 1 68 68 LYS CA C 413 58.868 58.868 59.331 -0.463 18297 329 1 1 . 1 1 68 68 LYS CB C 413 32.606 32.606 32.112 0.494 18297 330 1 1 . 1 1 68 68 LYS H H 413 8.171 8.171 7.581 0.590 18297 331 1 1 . 1 1 69 69 GLU N N 414 123.731 123.731 120.170 3.561 18297 332 1 1 . 1 1 69 69 GLU HA H 414 4.072 4.072 4.091 -0.019 18297 333 1 1 . 1 1 69 69 GLU C C 414 179.202 179.202 178.933 0.269 18297 334 1 1 . 1 1 69 69 GLU CA C 414 58.868 58.868 58.789 0.078 18297 335 1 1 . 1 1 69 69 GLU CB C 414 29.566 29.566 29.210 0.355 18297 336 1 1 . 1 1 69 69 GLU H H 414 8.326 8.326 8.102 0.224 18297 337 1 1 . 1 1 70 70 LEU N N 415 119.008 119.008 116.391 2.617 18297 338 1 1 . 1 1 70 70 LEU HA H 415 4.218 4.218 4.156 0.062 18297 339 1 1 . 1 1 70 70 LEU C C 415 176.505 176.505 177.259 -0.754 18297 340 1 1 . 1 1 70 70 LEU CA C 415 55.822 55.822 55.401 0.421 18297 341 1 1 . 1 1 70 70 LEU CB C 415 43.012 43.012 42.003 1.009 18297 342 1 1 . 1 1 70 70 LEU H H 415 7.993 7.993 7.771 0.222 18297 343 1 1 . 1 1 71 71 GLY N N 416 105.578 105.578 105.647 -0.069 18297 344 1 1 . 1 1 71 71 GLY C C 416 174.505 174.505 174.612 -0.107 18297 345 1 1 . 1 1 71 71 GLY CA C 416 45.191 45.191 44.813 0.378 18297 346 1 1 . 1 1 71 71 GLY H H 416 7.880 7.880 7.569 0.311 18297 347 1 1 . 1 1 72 72 LEU N N 417 119.201 119.201 120.937 -1.736 18297 348 1 1 . 1 1 72 72 LEU HA H 417 4.599 4.599 4.642 -0.043 18297 349 1 1 . 1 1 72 72 LEU C C 417 176.208 176.208 176.010 0.198 18297 350 1 1 . 1 1 72 72 LEU CA C 417 54.815 54.815 54.562 0.253 18297 351 1 1 . 1 1 72 72 LEU CB C 417 41.867 41.867 43.020 -1.153 18297 352 1 1 . 1 1 72 72 LEU H H 417 7.466 7.466 7.941 -0.475 18297 353 1 1 . 1 1 73 73 VAL N N 418 112.871 112.871 119.785 -6.914 18297 354 1 1 . 1 1 73 73 VAL HA H 418 4.782 4.782 4.470 0.312 18297 355 1 1 . 1 1 73 73 VAL C C 418 174.804 174.804 174.638 0.166 18297 356 1 1 . 1 1 73 73 VAL CA C 418 59.070 59.070 58.995 0.076 18297 357 1 1 . 1 1 73 73 VAL CB C 418 35.557 35.557 36.096 -0.539 18297 358 1 1 . 1 1 73 73 VAL H H 418 8.003 8.003 8.249 -0.246 18297 359 1 1 . 1 1 74 74 ASP N N 419 119.972 119.972 121.462 -1.490 18297 360 1 1 . 1 1 74 74 ASP HA H 419 3.593 3.593 4.668 -1.075 18297 361 1 1 . 1 1 74 74 ASP C C 419 177.545 177.545 176.947 0.598 18297 362 1 1 . 1 1 74 74 ASP CA C 419 56.419 56.419 55.203 1.216 18297 363 1 1 . 1 1 74 74 ASP CB C 419 42.035 42.035 40.653 1.382 18297 364 1 1 . 1 1 74 74 ASP H H 419 8.250 8.250 8.645 -0.395 18297 365 1 1 . 1 1 75 75 GLY N N 420 116.020 116.020 112.179 3.841 18297 366 1 1 . 1 1 75 75 GLY C C 420 173.763 173.763 174.199 -0.436 18297 367 1 1 . 1 1 75 75 GLY CA C 420 45.354 45.354 44.722 0.632 18297 368 1 1 . 1 1 75 75 GLY H H 420 8.704 8.704 8.773 -0.069 18297 369 1 1 . 1 1 76 76 GLN N N 421 121.514 121.514 121.775 -0.261 18297 370 1 1 . 1 1 76 76 GLN HA H 421 4.048 4.048 4.255 -0.207 18297 371 1 1 . 1 1 76 76 GLN C C 421 175.023 175.023 175.433 -0.410 18297 372 1 1 . 1 1 76 76 GLN CA C 421 56.709 56.709 55.764 0.945 18297 373 1 1 . 1 1 76 76 GLN CB C 421 29.511 29.511 29.540 -0.029 18297 374 1 1 . 1 1 76 76 GLN H H 421 7.867 7.867 7.628 0.239 18297 375 1 1 . 1 1 77 77 GLU N N 422 123.859 123.859 124.912 -1.053 18297 376 1 1 . 1 1 77 77 GLU HA H 422 5.186 5.186 5.335 -0.149 18297 377 1 1 . 1 1 77 77 GLU C C 422 176.877 176.877 175.952 0.925 18297 378 1 1 . 1 1 77 77 GLU CA C 422 55.786 55.786 55.428 0.357 18297 379 1 1 . 1 1 77 77 GLU CB C 422 31.509 31.509 31.299 0.210 18297 380 1 1 . 1 1 77 77 GLU H H 422 8.568 8.568 8.463 0.105 18297 381 1 1 . 1 1 78 78 LEU N N 423 125.867 125.867 123.307 2.560 18297 382 1 1 . 1 1 78 78 LEU HA H 423 5.080 5.080 4.762 0.318 18297 383 1 1 . 1 1 78 78 LEU C C 423 174.470 174.470 175.204 -0.734 18297 384 1 1 . 1 1 78 78 LEU CA C 423 53.686 53.686 53.347 0.339 18297 385 1 1 . 1 1 78 78 LEU CB C 423 44.966 44.966 45.493 -0.527 18297 386 1 1 . 1 1 78 78 LEU H H 423 9.313 9.313 9.113 0.200 18297 387 1 1 . 1 1 79 79 ALA N N 424 126.044 126.044 125.923 0.121 18297 388 1 1 . 1 1 79 79 ALA HA H 424 5.206 5.206 5.215 -0.009 18297 389 1 1 . 1 1 79 79 ALA C C 424 176.786 176.786 175.225 1.561 18297 390 1 1 . 1 1 79 79 ALA CA C 424 51.049 51.049 50.429 0.620 18297 391 1 1 . 1 1 79 79 ALA CB C 424 20.453 20.453 21.026 -0.573 18297 392 1 1 . 1 1 79 79 ALA H H 424 8.918 8.918 9.260 -0.342 18297 393 1 1 . 1 1 80 80 VAL N N 425 124.759 124.759 125.541 -0.782 18297 394 1 1 . 1 1 80 80 VAL HA H 425 5.344 5.344 5.250 0.094 18297 395 1 1 . 1 1 80 80 VAL C C 425 173.757 173.757 173.543 0.214 18297 396 1 1 . 1 1 80 80 VAL CA C 425 60.886 60.886 59.880 1.006 18297 397 1 1 . 1 1 80 80 VAL CB C 425 34.908 34.908 36.544 -1.636 18297 398 1 1 . 1 1 80 80 VAL H H 425 9.357 9.357 9.144 0.213 18297 399 1 1 . 1 1 81 81 ALA N N 426 129.353 129.353 130.641 -1.288 18297 400 1 1 . 1 1 81 81 ALA HA H 426 5.045 5.045 4.881 0.164 18297 401 1 1 . 1 1 81 81 ALA C C 426 175.938 175.938 175.108 0.830 18297 402 1 1 . 1 1 81 81 ALA CA C 426 50.133 50.133 49.875 0.258 18297 403 1 1 . 1 1 81 81 ALA CB C 426 22.758 22.758 22.468 0.290 18297 404 1 1 . 1 1 81 81 ALA H H 426 8.502 8.502 9.205 -0.703 18297 405 1 1 . 1 1 82 82 ASP N N 427 120.165 120.165 122.264 -2.099 18297 406 1 1 . 1 1 82 82 ASP HA H 427 5.100 5.100 4.956 0.144 18297 407 1 1 . 1 1 82 82 ASP C C 427 176.669 176.669 176.326 0.343 18297 408 1 1 . 1 1 82 82 ASP CA C 427 54.491 54.491 52.233 2.258 18297 409 1 1 . 1 1 82 82 ASP CB C 427 46.891 46.891 44.392 2.499 18297 410 1 1 . 1 1 82 82 ASP H H 427 8.906 8.906 8.262 0.644 18297 411 1 1 . 1 1 83 83 VAL N N 428 119.201 119.201 117.806 1.395 18297 412 1 1 . 1 1 83 83 VAL HA H 428 4.153 4.153 4.207 -0.054 18297 413 1 1 . 1 1 83 83 VAL C C 428 177.085 177.085 176.574 0.511 18297 414 1 1 . 1 1 83 83 VAL CA C 428 63.992 63.992 64.360 -0.368 18297 415 1 1 . 1 1 83 83 VAL CB C 428 31.772 31.772 31.515 0.257 18297 416 1 1 . 1 1 83 83 VAL H H 428 8.114 8.114 8.614 -0.500 18297 417 1 1 . 1 1 84 84 THR N N 429 110.173 110.173 112.406 -2.233 18297 418 1 1 . 1 1 84 84 THR HA H 429 4.235 4.235 4.320 -0.085 18297 419 1 1 . 1 1 84 84 THR C C 429 174.905 174.905 174.605 0.300 18297 420 1 1 . 1 1 84 84 THR CA C 429 63.533 63.533 63.935 -0.402 18297 421 1 1 . 1 1 84 84 THR CB C 429 70.613 70.613 69.523 1.090 18297 422 1 1 . 1 1 84 84 THR H H 429 7.899 7.899 8.412 -0.513 18297 423 1 1 . 1 1 85 85 THR N N 430 116.438 116.438 117.316 -0.878 18297 424 1 1 . 1 1 85 85 THR HA H 430 5.132 5.132 4.659 0.473 18297 425 1 1 . 1 1 85 85 THR C C 430 173.160 173.160 173.389 -0.229 18297 426 1 1 . 1 1 85 85 THR CA C 430 57.863 57.863 58.942 -1.079 18297 427 1 1 . 1 1 85 85 THR CB C 430 71.050 71.050 70.531 0.519 18297 428 1 1 . 1 1 85 85 THR H H 430 7.810 7.810 7.529 0.281 18297 429 1 1 . 1 1 86 86 PRO HA H 431 4.582 4.582 4.531 0.051 18297 430 1 1 . 1 1 86 86 PRO CA C 431 64.086 64.086 62.617 1.469 18297 431 1 1 . 1 1 86 86 PRO CB C 431 31.995 31.995 31.263 0.732 18297 432 1 1 . 1 1 87 87 GLN N N 432 117.241 117.241 118.637 -1.396 18297 433 1 1 . 1 1 87 87 GLN HA H 432 4.618 4.618 4.543 0.075 18297 434 1 1 . 1 1 87 87 GLN C C 432 175.653 175.653 174.964 0.689 18297 435 1 1 . 1 1 87 87 GLN CA C 432 54.491 54.491 54.540 -0.049 18297 436 1 1 . 1 1 87 87 GLN CB C 432 30.799 30.799 32.069 -1.270 18297 437 1 1 . 1 1 87 87 GLN H H 432 7.786 7.786 7.471 0.315 18297 438 1 1 . 1 1 88 88 THR N N 433 119.651 119.651 118.375 1.276 18297 439 1 1 . 1 1 88 88 THR HA H 433 4.440 4.440 4.900 -0.460 18297 440 1 1 . 1 1 88 88 THR C C 433 173.939 173.939 174.269 -0.330 18297 441 1 1 . 1 1 88 88 THR CA C 433 63.792 63.792 62.130 1.662 18297 442 1 1 . 1 1 88 88 THR CB C 433 70.357 70.357 69.385 0.972 18297 443 1 1 . 1 1 88 88 THR H H 433 8.460 8.460 8.374 0.086 18297 444 1 1 . 1 1 89 89 VAL N N 434 128.068 128.068 126.784 1.284 18297 445 1 1 . 1 1 89 89 VAL HA H 434 4.153 4.153 4.260 -0.107 18297 446 1 1 . 1 1 89 89 VAL C C 434 174.083 174.083 174.219 -0.136 18297 447 1 1 . 1 1 89 89 VAL CA C 434 61.827 61.827 61.139 0.688 18297 448 1 1 . 1 1 89 89 VAL CB C 434 33.937 33.937 34.305 -0.368 18297 449 1 1 . 1 1 89 89 VAL H H 434 9.275 9.275 9.143 0.132 18297 450 1 1 . 1 1 90 90 LEU N N 435 125.755 125.755 124.741 1.014 18297 451 1 1 . 1 1 90 90 LEU HA H 435 5.304 5.304 5.430 -0.126 18297 452 1 1 . 1 1 90 90 LEU C C 435 176.455 176.455 176.112 0.343 18297 453 1 1 . 1 1 90 90 LEU CA C 435 53.396 53.396 53.765 -0.369 18297 454 1 1 . 1 1 90 90 LEU CB C 435 44.023 44.023 43.504 0.519 18297 455 1 1 . 1 1 90 90 LEU H H 435 8.169 8.169 8.729 -0.560 18297 456 1 1 . 1 1 91 91 PHE N N 436 120.743 120.743 122.234 -1.491 18297 457 1 1 . 1 1 91 91 PHE HA H 436 5.314 5.314 5.690 -0.376 18297 458 1 1 . 1 1 91 91 PHE C C 436 174.788 174.788 175.029 -0.241 18297 459 1 1 . 1 1 91 91 PHE CA C 436 56.327 56.327 56.253 0.074 18297 460 1 1 . 1 1 91 91 PHE CB C 436 43.330 43.330 43.767 -0.437 18297 461 1 1 . 1 1 91 91 PHE H H 436 9.222 9.222 9.485 -0.263 18297 462 1 1 . 1 1 92 92 LYS N N 437 123.120 123.120 121.968 1.152 18297 463 1 1 . 1 1 92 92 LYS HA H 437 4.708 4.708 5.142 -0.434 18297 464 1 1 . 1 1 92 92 LYS C C 437 174.606 174.606 175.007 -0.401 18297 465 1 1 . 1 1 92 92 LYS CA C 437 55.139 55.139 55.283 -0.144 18297 466 1 1 . 1 1 92 92 LYS CB C 437 34.269 34.269 35.123 -0.854 18297 467 1 1 . 1 1 92 92 LYS H H 437 8.908 8.908 9.286 -0.378 18297 468 1 1 . 1 1 93 93 LEU N N 438 128.422 128.422 126.655 1.767 18297 469 1 1 . 1 1 93 93 LEU HA H 438 4.480 4.480 4.780 -0.300 18297 470 1 1 . 1 1 93 93 LEU C C 438 175.327 175.327 174.456 0.871 18297 471 1 1 . 1 1 93 93 LEU CA C 438 55.139 55.139 53.664 1.475 18297 472 1 1 . 1 1 93 93 LEU CB C 438 43.976 43.976 43.938 0.038 18297 473 1 1 . 1 1 93 93 LEU H H 438 8.755 8.755 8.888 -0.133 18297 474 1 1 . 1 1 94 94 HIS N N 439 123.859 123.859 126.414 -2.555 18297 475 1 1 . 1 1 94 94 HIS HA H 439 5.180 5.180 4.840 0.340 18297 476 1 1 . 1 1 94 94 HIS C C 439 174.297 174.297 173.703 0.594 18297 477 1 1 . 1 1 94 94 HIS CA C 439 53.396 53.396 54.166 -0.770 18297 478 1 1 . 1 1 94 94 HIS CB C 439 30.786 30.786 32.598 -1.812 18297 479 1 1 . 1 1 94 94 HIS H H 439 8.891 8.891 9.153 -0.262 18297 480 1 1 . 1 1 95 95 PHE N N 440 123.544 123.544 123.755 -0.211 18297 481 1 1 . 1 1 95 95 PHE HA H 440 6.231 6.231 5.815 0.416 18297 482 1 1 . 1 1 95 95 PHE C C 440 178.229 178.229 176.598 1.631 18297 483 1 1 . 1 1 95 95 PHE CA C 440 53.690 53.690 57.194 -3.504 18297 484 1 1 . 1 1 95 95 PHE CB C 440 39.477 39.477 40.602 -1.125 18297 485 1 1 . 1 1 95 95 PHE H H 440 8.896 8.896 8.847 0.049 18297 486 1 1 . 1 1 96 96 THR N N 441 114.382 114.382 119.219 -4.837 18297 487 1 1 . 1 1 96 96 THR HA H 441 4.617 4.617 4.652 -0.035 18297 488 1 1 . 1 1 96 96 THR C C 441 173.867 173.867 173.625 0.242 18297 489 1 1 . 1 1 96 96 THR CA C 441 61.327 61.327 60.805 0.522 18297 490 1 1 . 1 1 96 96 THR CB C 441 69.561 69.561 69.569 -0.008 18297 491 1 1 . 1 1 96 96 THR H H 441 7.973 7.973 9.087 -1.114 18297 492 1 2 . 1 1 2 2 SER HA H 347 4.570 4.570 4.794 -0.224 18297 493 1 2 . 1 1 2 2 SER C C 347 174.335 174.335 174.823 -0.488 18297 494 1 2 . 1 1 2 2 SER CA C 347 58.350 58.350 57.742 0.608 18297 495 1 2 . 1 1 2 2 SER CB C 347 63.999 63.999 64.481 -0.482 18297 496 1 2 . 1 1 3 3 GLN N N 348 122.478 122.478 122.881 -0.403 18297 497 1 2 . 1 1 3 3 GLN HA H 348 4.430 4.430 4.433 -0.003 18297 498 1 2 . 1 1 3 3 GLN C C 348 175.651 175.651 176.175 -0.524 18297 499 1 2 . 1 1 3 3 GLN CA C 348 55.743 55.743 55.508 0.235 18297 500 1 2 . 1 1 3 3 GLN CB C 348 29.750 29.750 29.262 0.488 18297 501 1 2 . 1 1 3 3 GLN H H 348 8.532 8.532 8.532 -0.000 18297 502 1 2 . 1 1 4 4 LEU N N 349 125.369 125.369 123.144 2.225 18297 503 1 2 . 1 1 4 4 LEU HA H 349 4.634 4.634 4.700 -0.066 18297 504 1 2 . 1 1 4 4 LEU C C 349 175.324 175.324 174.927 0.397 18297 505 1 2 . 1 1 4 4 LEU CA C 349 53.197 53.197 52.105 1.092 18297 506 1 2 . 1 1 4 4 LEU CB C 349 41.867 41.867 41.522 0.345 18297 507 1 2 . 1 1 4 4 LEU H H 349 8.403 8.403 7.314 1.089 18297 508 1 2 . 1 1 5 5 PRO HA H 350 4.360 4.360 4.507 -0.147 18297 509 1 2 . 1 1 5 5 PRO C C 350 176.639 176.639 176.163 0.476 18297 510 1 2 . 1 1 5 5 PRO CA C 350 62.748 62.748 62.915 -0.167 18297 511 1 2 . 1 1 5 5 PRO CB C 350 32.319 32.319 32.058 0.261 18297 512 1 2 . 1 1 6 6 GLN N N 351 121.707 121.707 122.989 -1.282 18297 513 1 2 . 1 1 6 6 GLN HA H 351 4.428 4.428 4.534 -0.106 18297 514 1 2 . 1 1 6 6 GLN C C 351 175.898 175.898 175.159 0.739 18297 515 1 2 . 1 1 6 6 GLN CA C 351 55.678 55.678 53.842 1.836 18297 516 1 2 . 1 1 6 6 GLN CB C 351 30.054 30.054 31.160 -1.105 18297 517 1 2 . 1 1 6 6 GLN H H 351 8.255 8.255 8.501 -0.246 18297 518 1 2 . 1 1 7 7 ASN N N 352 123.275 123.275 119.678 3.597 18297 519 1 2 . 1 1 7 7 ASN HA H 352 5.470 5.470 5.701 -0.231 18297 520 1 2 . 1 1 7 7 ASN C C 352 175.324 175.324 174.881 0.443 18297 521 1 2 . 1 1 7 7 ASN CA C 352 54.009 54.009 52.368 1.641 18297 522 1 2 . 1 1 7 7 ASN CB C 352 40.414 40.414 40.338 0.076 18297 523 1 2 . 1 1 7 7 ASN H H 352 8.860 8.860 8.605 0.255 18297 524 1 2 . 1 1 8 8 ILE N N 353 119.104 119.104 115.855 3.249 18297 525 1 2 . 1 1 8 8 ILE HA H 353 4.625 4.625 4.713 -0.088 18297 526 1 2 . 1 1 8 8 ILE C C 353 173.669 173.669 173.704 -0.035 18297 527 1 2 . 1 1 8 8 ILE CA C 353 60.201 60.201 59.667 0.534 18297 528 1 2 . 1 1 8 8 ILE CB C 353 41.404 41.404 42.266 -0.862 18297 529 1 2 . 1 1 8 8 ILE H H 353 8.808 8.808 9.212 -0.404 18297 530 1 2 . 1 1 9 9 GLN N N 354 122.671 122.671 125.061 -2.390 18297 531 1 2 . 1 1 9 9 GLN HA H 354 5.586 5.586 5.516 0.070 18297 532 1 2 . 1 1 9 9 GLN C C 354 174.274 174.274 174.085 0.189 18297 533 1 2 . 1 1 9 9 GLN CA C 354 54.491 54.491 54.046 0.445 18297 534 1 2 . 1 1 9 9 GLN CB C 354 31.120 31.120 31.992 -0.872 18297 535 1 2 . 1 1 9 9 GLN H H 354 8.021 8.021 8.340 -0.319 18297 536 1 2 . 1 1 10 10 PHE N N 355 120.679 120.679 125.143 -4.464 18297 537 1 2 . 1 1 10 10 PHE HA H 355 4.635 4.635 4.734 -0.099 18297 538 1 2 . 1 1 10 10 PHE C C 355 174.715 174.715 174.466 0.249 18297 539 1 2 . 1 1 10 10 PHE CA C 355 57.226 57.226 56.452 0.774 18297 540 1 2 . 1 1 10 10 PHE CB C 355 45.969 45.969 43.751 2.219 18297 541 1 2 . 1 1 10 10 PHE H H 355 8.403 8.403 9.231 -0.828 18297 542 1 2 . 1 1 11 11 SER N N 356 116.116 116.116 117.581 -1.465 18297 543 1 2 . 1 1 11 11 SER HA H 356 5.020 5.020 5.121 -0.101 18297 544 1 2 . 1 1 11 11 SER C C 356 174.917 174.917 174.293 0.624 18297 545 1 2 . 1 1 11 11 SER CA C 356 56.110 56.110 56.206 -0.097 18297 546 1 2 . 1 1 11 11 SER CB C 356 63.879 63.879 63.434 0.445 18297 547 1 2 . 1 1 11 11 SER H H 356 8.757 8.757 8.674 0.083 18297 548 1 2 . 1 1 12 12 PRO HA H 357 3.776 3.776 4.319 -0.543 18297 549 1 2 . 1 1 12 12 PRO C C 357 176.155 176.155 177.576 -1.421 18297 550 1 2 . 1 1 12 12 PRO CA C 357 64.886 64.886 64.774 0.112 18297 551 1 2 . 1 1 12 12 PRO CB C 357 31.222 31.222 31.383 -0.161 18297 552 1 2 . 1 1 13 13 SER N N 358 107.859 107.859 111.089 -3.230 18297 553 1 2 . 1 1 13 13 SER HA H 358 4.388 4.388 4.378 0.010 18297 554 1 2 . 1 1 13 13 SER C C 358 173.972 173.972 174.258 -0.286 18297 555 1 2 . 1 1 13 13 SER CA C 358 57.728 57.728 58.151 -0.423 18297 556 1 2 . 1 1 13 13 SER CB C 358 63.879 63.879 62.629 1.250 18297 557 1 2 . 1 1 13 13 SER H H 358 7.636 7.636 8.105 -0.469 18297 558 1 2 . 1 1 14 14 ALA N N 359 126.012 126.012 126.385 -0.373 18297 559 1 2 . 1 1 14 14 ALA HA H 359 4.320 4.320 4.436 -0.116 18297 560 1 2 . 1 1 14 14 ALA C C 359 177.288 177.288 176.018 1.270 18297 561 1 2 . 1 1 14 14 ALA CA C 359 52.849 52.849 52.283 0.566 18297 562 1 2 . 1 1 14 14 ALA CB C 359 19.372 19.372 20.383 -1.011 18297 563 1 2 . 1 1 14 14 ALA H H 359 7.937 7.937 8.124 -0.187 18297 564 1 2 . 1 1 15 15 LYS N N 360 119.699 119.699 122.943 -3.244 18297 565 1 2 . 1 1 15 15 LYS HA H 360 4.751 4.751 4.493 0.258 18297 566 1 2 . 1 1 15 15 LYS C C 360 179.638 179.638 177.561 2.077 18297 567 1 2 . 1 1 15 15 LYS CA C 360 54.815 54.815 55.681 -0.866 18297 568 1 2 . 1 1 15 15 LYS CB C 360 33.127 33.127 34.182 -1.055 18297 569 1 2 . 1 1 15 15 LYS H H 360 8.523 8.523 8.364 0.159 18297 570 1 2 . 1 1 16 16 LEU N N 361 123.297 123.297 125.577 -2.280 18297 571 1 2 . 1 1 16 16 LEU HA H 361 3.828 3.828 3.944 -0.116 18297 572 1 2 . 1 1 16 16 LEU C C 361 178.714 178.714 178.430 0.284 18297 573 1 2 . 1 1 16 16 LEU CA C 361 58.321 58.321 58.380 -0.059 18297 574 1 2 . 1 1 16 16 LEU CB C 361 40.240 40.240 41.587 -1.347 18297 575 1 2 . 1 1 16 16 LEU H H 361 8.383 8.383 8.424 -0.041 18297 576 1 2 . 1 1 17 17 GLN N N 362 117.900 117.900 118.790 -0.890 18297 577 1 2 . 1 1 17 17 GLN HA H 362 3.621 3.621 3.983 -0.362 18297 578 1 2 . 1 1 17 17 GLN C C 362 176.370 176.370 178.036 -1.666 18297 579 1 2 . 1 1 17 17 GLN CA C 362 58.547 58.547 58.970 -0.423 18297 580 1 2 . 1 1 17 17 GLN CB C 362 29.442 29.442 27.974 1.468 18297 581 1 2 . 1 1 17 17 GLN H H 362 8.766 8.766 7.616 1.150 18297 582 1 2 . 1 1 18 18 GLU N N 363 116.341 116.341 118.275 -1.934 18297 583 1 2 . 1 1 18 18 GLU HA H 363 4.201 4.201 4.140 0.061 18297 584 1 2 . 1 1 18 18 GLU C C 363 180.135 180.135 179.235 0.900 18297 585 1 2 . 1 1 18 18 GLU CA C 363 59.669 59.669 59.299 0.370 18297 586 1 2 . 1 1 18 18 GLU CB C 363 29.870 29.870 28.599 1.271 18297 587 1 2 . 1 1 18 18 GLU H H 363 7.783 7.783 8.706 -0.923 18297 588 1 2 . 1 1 19 19 VAL N N 364 120.647 120.647 119.839 0.808 18297 589 1 2 . 1 1 19 19 VAL HA H 364 3.421 3.421 3.564 -0.143 18297 590 1 2 . 1 1 19 19 VAL C C 364 177.380 177.380 177.849 -0.469 18297 591 1 2 . 1 1 19 19 VAL CA C 364 65.433 65.433 65.866 -0.433 18297 592 1 2 . 1 1 19 19 VAL CB C 364 30.964 30.964 31.163 -0.199 18297 593 1 2 . 1 1 19 19 VAL H H 364 7.224 7.224 7.154 0.070 18297 594 1 2 . 1 1 20 20 LEU N N 365 120.743 120.743 117.997 2.746 18297 595 1 2 . 1 1 20 20 LEU HA H 365 3.916 3.916 3.985 -0.069 18297 596 1 2 . 1 1 20 20 LEU C C 365 178.974 178.974 178.811 0.163 18297 597 1 2 . 1 1 20 20 LEU CA C 365 58.612 58.612 57.289 1.323 18297 598 1 2 . 1 1 20 20 LEU CB C 365 41.425 41.425 40.248 1.177 18297 599 1 2 . 1 1 20 20 LEU H H 365 7.517 7.517 7.233 0.284 18297 600 1 2 . 1 1 21 21 ASP N N 366 119.329 119.329 119.432 -0.103 18297 601 1 2 . 1 1 21 21 ASP HA H 366 4.306 4.306 4.365 -0.059 18297 602 1 2 . 1 1 21 21 ASP C C 366 177.992 177.992 178.326 -0.334 18297 603 1 2 . 1 1 21 21 ASP CA C 366 57.405 57.405 57.223 0.182 18297 604 1 2 . 1 1 21 21 ASP CB C 366 40.265 40.265 41.231 -0.966 18297 605 1 2 . 1 1 21 21 ASP H H 366 8.805 8.805 7.945 0.860 18297 606 1 2 . 1 1 22 22 TYR N N 367 121.643 121.643 119.177 2.466 18297 607 1 2 . 1 1 22 22 TYR HA H 367 4.305 4.305 4.299 0.006 18297 608 1 2 . 1 1 22 22 TYR C C 367 177.701 177.701 176.482 1.219 18297 609 1 2 . 1 1 22 22 TYR CA C 367 61.777 61.777 60.392 1.385 18297 610 1 2 . 1 1 22 22 TYR CB C 367 38.801 38.801 38.943 -0.142 18297 611 1 2 . 1 1 22 22 TYR H H 367 7.718 7.718 8.189 -0.471 18297 612 1 2 . 1 1 23 23 LEU N N 368 118.414 118.414 118.309 0.105 18297 613 1 2 . 1 1 23 23 LEU HA H 368 3.910 3.910 4.054 -0.144 18297 614 1 2 . 1 1 23 23 LEU C C 368 178.019 178.019 177.745 0.274 18297 615 1 2 . 1 1 23 23 LEU CA C 368 57.773 57.773 57.354 0.419 18297 616 1 2 . 1 1 23 23 LEU CB C 368 42.032 42.032 42.267 -0.235 18297 617 1 2 . 1 1 23 23 LEU H H 368 8.060 8.060 7.360 0.700 18297 618 1 2 . 1 1 24 24 THR N N 369 106.606 106.606 109.747 -3.141 18297 619 1 2 . 1 1 24 24 THR HA H 369 4.507 4.507 4.375 0.132 18297 620 1 2 . 1 1 24 24 THR C C 369 176.576 176.576 173.805 2.771 18297 621 1 2 . 1 1 24 24 THR CA C 369 63.245 63.245 62.851 0.394 18297 622 1 2 . 1 1 24 24 THR CB C 369 70.517 70.517 70.150 0.367 18297 623 1 2 . 1 1 24 24 THR H H 369 8.017 8.017 8.035 -0.018 18297 624 1 2 . 1 1 25 25 ASN N N 370 118.847 118.847 118.055 0.792 18297 625 1 2 . 1 1 25 25 ASN HA H 370 4.846 4.846 4.943 -0.097 18297 626 1 2 . 1 1 25 25 ASN C C 370 176.455 176.455 174.853 1.602 18297 627 1 2 . 1 1 25 25 ASN CA C 370 53.944 53.944 52.598 1.346 18297 628 1 2 . 1 1 25 25 ASN CB C 370 39.718 39.718 41.575 -1.857 18297 629 1 2 . 1 1 25 25 ASN H H 370 8.149 8.149 8.254 -0.105 18297 630 1 2 . 1 1 26 26 SER N N 371 116.888 116.888 116.946 -0.058 18297 631 1 2 . 1 1 26 26 SER HA H 371 4.375 4.375 4.370 0.005 18297 632 1 2 . 1 1 26 26 SER C C 371 176.257 176.257 175.198 1.059 18297 633 1 2 . 1 1 26 26 SER CA C 371 59.603 59.603 61.405 -1.802 18297 634 1 2 . 1 1 26 26 SER CB C 371 63.792 63.792 63.574 0.218 18297 635 1 2 . 1 1 26 26 SER H H 371 7.889 7.889 8.560 -0.671 18297 636 1 2 . 1 1 27 27 ALA N N 372 128.743 128.743 121.468 7.275 18297 637 1 2 . 1 1 27 27 ALA HA H 372 4.228 4.228 4.624 -0.396 18297 638 1 2 . 1 1 27 27 ALA C C 372 178.538 178.538 179.838 -1.300 18297 639 1 2 . 1 1 27 27 ALA CA C 372 54.491 54.491 54.078 0.413 18297 640 1 2 . 1 1 27 27 ALA CB C 372 18.772 18.772 19.037 -0.265 18297 641 1 2 . 1 1 27 27 ALA H H 372 8.836 8.836 7.901 0.935 18297 642 1 2 . 1 1 28 28 SER N N 373 110.751 110.751 114.288 -3.537 18297 643 1 2 . 1 1 28 28 SER HA H 373 4.426 4.426 4.418 0.008 18297 644 1 2 . 1 1 28 28 SER C C 373 174.548 174.548 175.348 -0.800 18297 645 1 2 . 1 1 28 28 SER CA C 373 59.415 59.415 59.911 -0.496 18297 646 1 2 . 1 1 28 28 SER CB C 373 63.394 63.394 62.911 0.483 18297 647 1 2 . 1 1 28 28 SER H H 373 8.069 8.069 8.388 -0.319 18297 648 1 2 . 1 1 29 29 LEU N N 374 122.012 122.012 119.298 2.714 18297 649 1 2 . 1 1 29 29 LEU HA H 374 4.465 4.465 4.431 0.034 18297 650 1 2 . 1 1 29 29 LEU C C 374 175.716 175.716 176.625 -0.909 18297 651 1 2 . 1 1 29 29 LEU CA C 374 56.132 56.132 54.684 1.448 18297 652 1 2 . 1 1 29 29 LEU CB C 374 44.295 44.295 41.834 2.461 18297 653 1 2 . 1 1 29 29 LEU H H 374 7.547 7.547 7.898 -0.351 18297 654 1 2 . 1 1 30 30 GLN N N 375 116.052 116.052 119.201 -3.149 18297 655 1 2 . 1 1 30 30 GLN HA H 375 4.003 4.003 3.993 0.010 18297 656 1 2 . 1 1 30 30 GLN C C 375 175.498 175.498 177.333 -1.835 18297 657 1 2 . 1 1 30 30 GLN CA C 375 56.434 56.434 58.455 -2.021 18297 658 1 2 . 1 1 30 30 GLN CB C 375 27.948 27.948 27.970 -0.022 18297 659 1 2 . 1 1 30 30 GLN H H 375 8.060 8.060 7.541 0.519 18297 660 1 2 . 1 1 31 31 MET N N 376 117.691 117.691 111.230 6.461 18297 661 1 2 . 1 1 31 31 MET HA H 376 4.283 4.283 4.730 -0.447 18297 662 1 2 . 1 1 31 31 MET C C 376 175.843 175.843 176.233 -0.390 18297 663 1 2 . 1 1 31 31 MET CA C 376 57.728 57.728 55.931 1.797 18297 664 1 2 . 1 1 31 31 MET CB C 376 33.451 33.451 33.547 -0.096 18297 665 1 2 . 1 1 31 31 MET H H 376 8.211 8.211 7.883 0.328 18297 666 1 2 . 1 1 32 32 LYS N N 377 122.028 122.028 119.317 2.711 18297 667 1 2 . 1 1 32 32 LYS HA H 377 4.414 4.414 4.322 0.092 18297 668 1 2 . 1 1 32 32 LYS C C 377 177.837 177.837 176.433 1.404 18297 669 1 2 . 1 1 32 32 LYS CA C 377 58.052 58.052 56.527 1.525 18297 670 1 2 . 1 1 32 32 LYS CB C 377 34.994 34.994 32.317 2.677 18297 671 1 2 . 1 1 32 32 LYS H H 377 9.461 9.461 8.271 1.190 18297 672 1 2 . 1 1 33 33 SER N N 378 115.056 115.056 116.086 -1.030 18297 673 1 2 . 1 1 33 33 SER HA H 378 4.650 4.650 4.396 0.254 18297 674 1 2 . 1 1 33 33 SER C C 378 172.026 172.026 173.092 -1.066 18297 675 1 2 . 1 1 33 33 SER CA C 378 55.038 55.038 56.165 -1.127 18297 676 1 2 . 1 1 33 33 SER CB C 378 62.908 62.908 63.480 -0.572 18297 677 1 2 . 1 1 33 33 SER H H 378 10.101 10.101 7.375 2.726 18297 678 1 2 . 1 1 34 34 PRO HA H 379 5.043 5.043 4.457 0.586 18297 679 1 2 . 1 1 34 34 PRO C C 379 175.422 175.422 175.168 0.254 18297 680 1 2 . 1 1 34 34 PRO CA C 379 63.792 63.792 62.781 1.012 18297 681 1 2 . 1 1 34 34 PRO CB C 379 33.703 33.703 32.503 1.200 18297 682 1 2 . 1 1 35 35 ALA N N 380 121.498 121.498 122.691 -1.193 18297 683 1 2 . 1 1 35 35 ALA HA H 380 5.137 5.137 4.254 0.883 18297 684 1 2 . 1 1 35 35 ALA C C 380 177.313 177.313 175.880 1.433 18297 685 1 2 . 1 1 35 35 ALA CA C 380 50.661 50.661 50.273 0.388 18297 686 1 2 . 1 1 35 35 ALA CB C 380 22.118 22.118 21.614 0.504 18297 687 1 2 . 1 1 35 35 ALA H H 380 8.894 8.894 8.752 0.142 18297 688 1 2 . 1 1 36 36 ILE N N 381 120.470 120.470 120.066 0.404 18297 689 1 2 . 1 1 36 36 ILE HA H 381 4.967 4.967 4.744 0.223 18297 690 1 2 . 1 1 36 36 ILE C C 381 175.314 175.314 174.730 0.584 18297 691 1 2 . 1 1 36 36 ILE CA C 381 61.056 61.056 59.851 1.205 18297 692 1 2 . 1 1 36 36 ILE CB C 381 41.364 41.364 39.173 2.191 18297 693 1 2 . 1 1 36 36 ILE H H 381 9.038 9.038 8.603 0.435 18297 694 1 2 . 1 1 37 37 THR N N 382 123.297 123.297 123.348 -0.051 18297 695 1 2 . 1 1 37 37 THR HA H 382 5.252 5.252 5.013 0.239 18297 696 1 2 . 1 1 37 37 THR C C 382 172.289 172.289 172.577 -0.288 18297 697 1 2 . 1 1 37 37 THR CA C 382 60.977 60.977 61.117 -0.140 18297 698 1 2 . 1 1 37 37 THR CB C 382 71.919 71.919 71.910 0.009 18297 699 1 2 . 1 1 37 37 THR H H 382 9.363 9.363 8.539 0.824 18297 700 1 2 . 1 1 38 38 ALA N N 383 123.340 123.340 126.751 -3.411 18297 701 1 2 . 1 1 38 38 ALA HA H 383 4.935 4.935 4.977 -0.042 18297 702 1 2 . 1 1 38 38 ALA C C 383 175.743 175.743 175.613 0.130 18297 703 1 2 . 1 1 38 38 ALA CA C 383 51.147 51.147 50.516 0.631 18297 704 1 2 . 1 1 38 38 ALA CB C 383 22.758 22.758 22.573 0.185 18297 705 1 2 . 1 1 38 38 ALA H H 383 8.896 8.896 9.156 -0.260 18297 706 1 2 . 1 1 39 39 THR N N 384 118.815 118.815 116.277 2.538 18297 707 1 2 . 1 1 39 39 THR HA H 384 4.892 4.892 5.295 -0.403 18297 708 1 2 . 1 1 39 39 THR C C 384 174.098 174.098 174.398 -0.300 18297 709 1 2 . 1 1 39 39 THR CA C 384 62.310 62.310 60.833 1.477 18297 710 1 2 . 1 1 39 39 THR CB C 384 69.263 69.263 69.675 -0.412 18297 711 1 2 . 1 1 39 39 THR H H 384 8.968 8.968 8.718 0.250 18297 712 1 2 . 1 1 40 40 LEU N N 385 128.711 128.711 127.759 0.952 18297 713 1 2 . 1 1 40 40 LEU HA H 385 4.791 4.791 4.592 0.199 18297 714 1 2 . 1 1 40 40 LEU C C 385 176.479 176.479 176.126 0.353 18297 715 1 2 . 1 1 40 40 LEU CA C 385 53.944 53.944 54.126 -0.182 18297 716 1 2 . 1 1 40 40 LEU CB C 385 44.966 44.966 43.166 1.800 18297 717 1 2 . 1 1 40 40 LEU H H 385 8.667 8.667 9.143 -0.476 18297 718 1 2 . 1 1 41 41 GLU N N 386 124.470 124.470 127.202 -2.732 18297 719 1 2 . 1 1 41 41 GLU HA H 386 3.936 3.936 4.016 -0.080 18297 720 1 2 . 1 1 41 41 GLU C C 386 176.878 176.878 176.373 0.505 18297 721 1 2 . 1 1 41 41 GLU CA C 386 57.226 57.226 56.750 0.476 18297 722 1 2 . 1 1 41 41 GLU CB C 386 27.735 27.735 28.816 -1.081 18297 723 1 2 . 1 1 41 41 GLU H H 386 9.547 9.547 9.336 0.211 18297 724 1 2 . 1 1 42 42 GLY N N 387 104.068 104.068 104.427 -0.359 18297 725 1 2 . 1 1 42 42 GLY C C 387 173.993 173.993 173.469 0.524 18297 726 1 2 . 1 1 42 42 GLY CA C 387 45.596 45.596 44.928 0.668 18297 727 1 2 . 1 1 42 42 GLY H H 387 8.578 8.578 8.323 0.255 18297 728 1 2 . 1 1 43 43 LYS N N 388 120.422 120.422 122.627 -2.205 18297 729 1 2 . 1 1 43 43 LYS HA H 388 4.701 4.701 4.534 0.167 18297 730 1 2 . 1 1 43 43 LYS C C 388 175.054 175.054 174.887 0.167 18297 731 1 2 . 1 1 43 43 LYS CA C 388 54.491 54.491 54.842 -0.351 18297 732 1 2 . 1 1 43 43 LYS CB C 388 34.968 34.968 33.907 1.061 18297 733 1 2 . 1 1 43 43 LYS H H 388 7.826 7.826 7.807 0.019 18297 734 1 2 . 1 1 44 44 ASN N N 389 122.606 122.606 124.717 -2.111 18297 735 1 2 . 1 1 44 44 ASN HA H 389 4.895 4.895 5.100 -0.205 18297 736 1 2 . 1 1 44 44 ASN C C 389 174.905 174.905 174.634 0.271 18297 737 1 2 . 1 1 44 44 ASN CA C 389 53.944 53.944 52.680 1.264 18297 738 1 2 . 1 1 44 44 ASN CB C 389 39.229 39.229 39.452 -0.223 18297 739 1 2 . 1 1 44 44 ASN H H 389 8.827 8.827 8.844 -0.017 18297 740 1 2 . 1 1 45 45 ARG N N 390 125.867 125.867 124.728 1.139 18297 741 1 2 . 1 1 45 45 ARG HA H 390 4.756 4.756 4.562 0.194 18297 742 1 2 . 1 1 45 45 ARG C C 390 175.224 175.224 175.141 0.083 18297 743 1 2 . 1 1 45 45 ARG CA C 390 54.491 54.491 54.768 -0.277 18297 744 1 2 . 1 1 45 45 ARG CB C 390 32.973 32.973 32.558 0.415 18297 745 1 2 . 1 1 45 45 ARG H H 390 9.220 9.220 9.069 0.151 18297 746 1 2 . 1 1 46 46 THR N N 391 122.574 122.574 121.436 1.138 18297 747 1 2 . 1 1 46 46 THR HA H 391 4.289 4.289 4.380 -0.091 18297 748 1 2 . 1 1 46 46 THR C C 391 174.010 174.010 174.782 -0.772 18297 749 1 2 . 1 1 46 46 THR CA C 391 63.509 63.509 62.665 0.844 18297 750 1 2 . 1 1 46 46 THR CB C 391 68.716 68.716 68.905 -0.189 18297 751 1 2 . 1 1 46 46 THR H H 391 8.940 8.940 8.827 0.113 18297 752 1 2 . 1 1 47 47 LEU N N 392 128.647 128.647 128.703 -0.056 18297 753 1 2 . 1 1 47 47 LEU HA H 392 4.339 4.339 4.308 0.031 18297 754 1 2 . 1 1 47 47 LEU C C 392 176.670 176.670 177.210 -0.540 18297 755 1 2 . 1 1 47 47 LEU CA C 392 56.132 56.132 56.595 -0.463 18297 756 1 2 . 1 1 47 47 LEU CB C 392 42.678 42.678 42.394 0.284 18297 757 1 2 . 1 1 47 47 LEU H H 392 9.096 9.096 8.744 0.352 18297 758 1 2 . 1 1 48 48 TYR N N 393 113.514 113.514 117.701 -4.187 18297 759 1 2 . 1 1 48 48 TYR HA H 393 4.618 4.618 4.225 0.393 18297 760 1 2 . 1 1 48 48 TYR C C 393 173.455 173.455 176.173 -2.718 18297 761 1 2 . 1 1 48 48 TYR CA C 393 59.415 59.415 59.426 -0.011 18297 762 1 2 . 1 1 48 48 TYR CB C 393 41.384 41.384 39.549 1.835 18297 763 1 2 . 1 1 48 48 TYR H H 393 7.562 7.562 7.794 -0.232 18297 764 1 2 . 1 1 57 57 GLU N N 402 128.181 128.181 122.326 5.855 18297 765 1 2 . 1 1 57 57 GLU H H 402 8.645 8.645 8.630 0.015 18297 766 1 2 . 1 1 58 58 ARG N N 403 117.080 117.080 120.201 -3.121 18297 767 1 2 . 1 1 58 58 ARG HA H 403 4.302 4.302 4.029 0.273 18297 768 1 2 . 1 1 58 58 ARG CA C 403 58.321 58.321 58.495 -0.174 18297 769 1 2 . 1 1 58 58 ARG CB C 403 31.165 31.165 29.944 1.222 18297 770 1 2 . 1 1 58 58 ARG H H 403 8.278 8.278 8.288 -0.010 18297 771 1 2 . 1 1 59 59 THR N N 404 108.390 108.390 115.004 -6.614 18297 772 1 2 . 1 1 59 59 THR HA H 404 4.932 4.932 4.284 0.648 18297 773 1 2 . 1 1 59 59 THR H H 404 8.301 8.301 8.091 0.210 18297 774 1 2 . 1 1 60 60 ARG N N 405 126.639 126.639 126.010 0.629 18297 775 1 2 . 1 1 60 60 ARG H H 405 8.549 8.549 7.690 0.859 18297 776 1 2 . 1 1 61 61 PRO HA H 406 4.431 4.431 4.331 0.100 18297 777 1 2 . 1 1 61 61 PRO C C 406 178.434 178.434 177.515 0.919 18297 778 1 2 . 1 1 61 61 PRO CA C 406 65.980 65.980 64.163 1.817 18297 779 1 2 . 1 1 61 61 PRO CB C 406 31.348 31.348 32.393 -1.045 18297 780 1 2 . 1 1 62 62 ASN N N 407 114.574 114.574 116.987 -2.413 18297 781 1 2 . 1 1 62 62 ASN HA H 407 4.390 4.390 4.459 -0.069 18297 782 1 2 . 1 1 62 62 ASN C C 407 177.863 177.863 177.593 0.270 18297 783 1 2 . 1 1 62 62 ASN CA C 407 55.308 55.308 55.569 -0.261 18297 784 1 2 . 1 1 62 62 ASN CB C 407 37.530 37.530 37.593 -0.063 18297 785 1 2 . 1 1 62 62 ASN H H 407 8.481 8.481 8.617 -0.136 18297 786 1 2 . 1 1 63 63 LEU N N 408 115.667 115.667 117.447 -1.780 18297 787 1 2 . 1 1 63 63 LEU HA H 408 3.861 3.861 4.131 -0.270 18297 788 1 2 . 1 1 63 63 LEU C C 408 177.708 177.708 178.231 -0.523 18297 789 1 2 . 1 1 63 63 LEU CA C 408 57.667 57.667 56.850 0.817 18297 790 1 2 . 1 1 63 63 LEU CB C 408 41.706 41.706 41.733 -0.027 18297 791 1 2 . 1 1 63 63 LEU H H 408 8.022 8.022 7.837 0.185 18297 792 1 2 . 1 1 64 64 SER N N 409 109.209 109.209 112.596 -3.387 18297 793 1 2 . 1 1 64 64 SER HA H 409 4.588 4.588 4.389 0.199 18297 794 1 2 . 1 1 64 64 SER C C 409 173.870 173.870 174.632 -0.762 18297 795 1 2 . 1 1 64 64 SER CA C 409 58.321 58.321 59.232 -0.911 18297 796 1 2 . 1 1 64 64 SER CB C 409 63.855 63.855 63.528 0.327 18297 797 1 2 . 1 1 64 64 SER H H 409 7.232 7.232 7.705 -0.473 18297 798 1 2 . 1 1 65 65 LYS N N 410 122.735 122.735 120.639 2.096 18297 799 1 2 . 1 1 65 65 LYS HA H 410 4.609 4.609 4.612 -0.003 18297 800 1 2 . 1 1 65 65 LYS C C 410 175.946 175.946 176.093 -0.147 18297 801 1 2 . 1 1 65 65 LYS CA C 410 55.463 55.463 54.127 1.336 18297 802 1 2 . 1 1 65 65 LYS CB C 410 34.422 34.422 33.776 0.646 18297 803 1 2 . 1 1 65 65 LYS H H 410 7.543 7.543 7.445 0.098 18297 804 1 2 . 1 1 66 66 THR N N 411 110.944 110.944 110.932 0.012 18297 805 1 2 . 1 1 66 66 THR HA H 411 5.003 5.003 4.835 0.168 18297 806 1 2 . 1 1 66 66 THR C C 411 176.038 176.038 176.508 -0.470 18297 807 1 2 . 1 1 66 66 THR CA C 411 60.221 60.221 60.637 -0.416 18297 808 1 2 . 1 1 66 66 THR CB C 411 70.956 70.956 70.921 0.035 18297 809 1 2 . 1 1 66 66 THR H H 411 8.980 8.980 8.056 0.924 18297 810 1 2 . 1 1 67 67 LEU N N 412 118.076 118.076 120.759 -2.683 18297 811 1 2 . 1 1 67 67 LEU HA H 412 3.961 3.961 3.998 -0.037 18297 812 1 2 . 1 1 67 67 LEU C C 412 179.227 179.227 178.728 0.499 18297 813 1 2 . 1 1 67 67 LEU CA C 412 58.321 58.321 58.410 -0.089 18297 814 1 2 . 1 1 67 67 LEU CB C 412 39.914 39.914 41.506 -1.592 18297 815 1 2 . 1 1 67 67 LEU H H 412 8.434 8.434 8.582 -0.148 18297 816 1 2 . 1 1 68 68 LYS N N 413 116.373 116.373 119.564 -3.191 18297 817 1 2 . 1 1 68 68 LYS HA H 413 4.285 4.285 3.881 0.404 18297 818 1 2 . 1 1 68 68 LYS C C 413 181.338 181.338 179.428 1.910 18297 819 1 2 . 1 1 68 68 LYS CA C 413 58.868 58.868 59.365 -0.498 18297 820 1 2 . 1 1 68 68 LYS CB C 413 32.606 32.606 32.112 0.494 18297 821 1 2 . 1 1 68 68 LYS H H 413 8.171 8.171 7.667 0.504 18297 822 1 2 . 1 1 69 69 GLU N N 414 123.731 123.731 119.622 4.109 18297 823 1 2 . 1 1 69 69 GLU HA H 414 4.072 4.072 4.108 -0.036 18297 824 1 2 . 1 1 69 69 GLU C C 414 179.202 179.202 178.567 0.635 18297 825 1 2 . 1 1 69 69 GLU CA C 414 58.868 58.868 58.817 0.051 18297 826 1 2 . 1 1 69 69 GLU CB C 414 29.566 29.566 29.047 0.519 18297 827 1 2 . 1 1 69 69 GLU H H 414 8.326 8.326 7.955 0.371 18297 828 1 2 . 1 1 70 70 LEU N N 415 119.008 119.008 116.843 2.165 18297 829 1 2 . 1 1 70 70 LEU HA H 415 4.218 4.218 4.145 0.073 18297 830 1 2 . 1 1 70 70 LEU C C 415 176.505 176.505 177.431 -0.926 18297 831 1 2 . 1 1 70 70 LEU CA C 415 55.822 55.822 55.311 0.511 18297 832 1 2 . 1 1 70 70 LEU CB C 415 43.012 43.012 42.187 0.825 18297 833 1 2 . 1 1 70 70 LEU H H 415 7.993 7.993 7.321 0.672 18297 834 1 2 . 1 1 71 71 GLY N N 416 105.578 105.578 106.277 -0.699 18297 835 1 2 . 1 1 71 71 GLY C C 416 174.505 174.505 174.701 -0.196 18297 836 1 2 . 1 1 71 71 GLY CA C 416 45.191 45.191 45.331 -0.140 18297 837 1 2 . 1 1 71 71 GLY H H 416 7.880 7.880 7.550 0.330 18297 838 1 2 . 1 1 72 72 LEU N N 417 119.201 119.201 121.154 -1.953 18297 839 1 2 . 1 1 72 72 LEU HA H 417 4.599 4.599 4.759 -0.160 18297 840 1 2 . 1 1 72 72 LEU C C 417 176.208 176.208 175.873 0.335 18297 841 1 2 . 1 1 72 72 LEU CA C 417 54.815 54.815 54.972 -0.157 18297 842 1 2 . 1 1 72 72 LEU CB C 417 41.867 41.867 43.396 -1.529 18297 843 1 2 . 1 1 72 72 LEU H H 417 7.466 7.466 7.419 0.047 18297 844 1 2 . 1 1 73 73 VAL N N 418 112.871 112.871 122.640 -9.769 18297 845 1 2 . 1 1 73 73 VAL HA H 418 4.782 4.782 4.536 0.246 18297 846 1 2 . 1 1 73 73 VAL C C 418 174.804 174.804 174.848 -0.044 18297 847 1 2 . 1 1 73 73 VAL CA C 418 59.070 59.070 58.840 0.230 18297 848 1 2 . 1 1 73 73 VAL CB C 418 35.557 35.557 35.891 -0.334 18297 849 1 2 . 1 1 73 73 VAL H H 418 8.003 8.003 8.049 -0.046 18297 850 1 2 . 1 1 74 74 ASP N N 419 119.972 119.972 122.808 -2.836 18297 851 1 2 . 1 1 74 74 ASP HA H 419 3.593 3.593 4.724 -1.131 18297 852 1 2 . 1 1 74 74 ASP C C 419 177.545 177.545 176.961 0.584 18297 853 1 2 . 1 1 74 74 ASP CA C 419 56.419 56.419 55.129 1.290 18297 854 1 2 . 1 1 74 74 ASP CB C 419 42.035 42.035 40.675 1.361 18297 855 1 2 . 1 1 74 74 ASP H H 419 8.250 8.250 8.662 -0.412 18297 856 1 2 . 1 1 75 75 GLY N N 420 116.020 116.020 113.065 2.955 18297 857 1 2 . 1 1 75 75 GLY C C 420 173.763 173.763 173.794 -0.031 18297 858 1 2 . 1 1 75 75 GLY CA C 420 45.354 45.354 44.600 0.754 18297 859 1 2 . 1 1 75 75 GLY H H 420 8.704 8.704 8.611 0.093 18297 860 1 2 . 1 1 76 76 GLN N N 421 121.514 121.514 121.132 0.382 18297 861 1 2 . 1 1 76 76 GLN HA H 421 4.048 4.048 4.289 -0.241 18297 862 1 2 . 1 1 76 76 GLN C C 421 175.023 175.023 175.146 -0.123 18297 863 1 2 . 1 1 76 76 GLN CA C 421 56.709 56.709 55.965 0.744 18297 864 1 2 . 1 1 76 76 GLN CB C 421 29.511 29.511 30.003 -0.492 18297 865 1 2 . 1 1 76 76 GLN H H 421 7.867 7.867 7.643 0.224 18297 866 1 2 . 1 1 77 77 GLU N N 422 123.859 123.859 123.874 -0.015 18297 867 1 2 . 1 1 77 77 GLU HA H 422 5.186 5.186 5.149 0.037 18297 868 1 2 . 1 1 77 77 GLU C C 422 176.877 176.877 176.029 0.848 18297 869 1 2 . 1 1 77 77 GLU CA C 422 55.786 55.786 55.326 0.460 18297 870 1 2 . 1 1 77 77 GLU CB C 422 31.509 31.509 31.107 0.402 18297 871 1 2 . 1 1 77 77 GLU H H 422 8.568 8.568 8.502 0.066 18297 872 1 2 . 1 1 78 78 LEU N N 423 125.867 125.867 125.139 0.728 18297 873 1 2 . 1 1 78 78 LEU HA H 423 5.080 5.080 4.491 0.589 18297 874 1 2 . 1 1 78 78 LEU C C 423 174.470 174.470 175.823 -1.353 18297 875 1 2 . 1 1 78 78 LEU CA C 423 53.686 53.686 54.112 -0.426 18297 876 1 2 . 1 1 78 78 LEU CB C 423 44.966 44.966 43.480 1.486 18297 877 1 2 . 1 1 78 78 LEU H H 423 9.313 9.313 9.142 0.171 18297 878 1 2 . 1 1 79 79 ALA N N 424 126.044 126.044 126.079 -0.035 18297 879 1 2 . 1 1 79 79 ALA HA H 424 5.206 5.206 4.846 0.360 18297 880 1 2 . 1 1 79 79 ALA C C 424 176.786 176.786 175.733 1.053 18297 881 1 2 . 1 1 79 79 ALA CA C 424 51.049 51.049 50.517 0.532 18297 882 1 2 . 1 1 79 79 ALA CB C 424 20.453 20.453 20.306 0.147 18297 883 1 2 . 1 1 79 79 ALA H H 424 8.918 8.918 8.914 0.004 18297 884 1 2 . 1 1 80 80 VAL N N 425 124.759 124.759 121.153 3.606 18297 885 1 2 . 1 1 80 80 VAL HA H 425 5.344 5.344 5.255 0.089 18297 886 1 2 . 1 1 80 80 VAL C C 425 173.757 173.757 173.849 -0.092 18297 887 1 2 . 1 1 80 80 VAL CA C 425 60.886 60.886 59.619 1.267 18297 888 1 2 . 1 1 80 80 VAL CB C 425 34.908 34.908 34.725 0.183 18297 889 1 2 . 1 1 80 80 VAL H H 425 9.357 9.357 8.146 1.211 18297 890 1 2 . 1 1 81 81 ALA N N 426 129.353 129.353 126.616 2.737 18297 891 1 2 . 1 1 81 81 ALA HA H 426 5.045 5.045 4.763 0.282 18297 892 1 2 . 1 1 81 81 ALA C C 426 175.938 175.938 175.273 0.665 18297 893 1 2 . 1 1 81 81 ALA CA C 426 50.133 50.133 50.439 -0.306 18297 894 1 2 . 1 1 81 81 ALA CB C 426 22.758 22.758 21.977 0.781 18297 895 1 2 . 1 1 81 81 ALA H H 426 8.502 8.502 8.810 -0.308 18297 896 1 2 . 1 1 82 82 ASP N N 427 120.165 120.165 122.641 -2.476 18297 897 1 2 . 1 1 82 82 ASP HA H 427 5.100 5.100 5.001 0.099 18297 898 1 2 . 1 1 82 82 ASP C C 427 176.669 176.669 176.569 0.100 18297 899 1 2 . 1 1 82 82 ASP CA C 427 54.491 54.491 52.501 1.990 18297 900 1 2 . 1 1 82 82 ASP CB C 427 46.891 46.891 44.609 2.281 18297 901 1 2 . 1 1 82 82 ASP H H 427 8.906 8.906 8.677 0.229 18297 902 1 2 . 1 1 83 83 VAL N N 428 119.201 119.201 117.934 1.267 18297 903 1 2 . 1 1 83 83 VAL HA H 428 4.153 4.153 4.253 -0.100 18297 904 1 2 . 1 1 83 83 VAL C C 428 177.085 177.085 176.794 0.291 18297 905 1 2 . 1 1 83 83 VAL CA C 428 63.992 63.992 64.358 -0.366 18297 906 1 2 . 1 1 83 83 VAL CB C 428 31.772 31.772 32.074 -0.302 18297 907 1 2 . 1 1 83 83 VAL H H 428 8.114 8.114 8.609 -0.495 18297 908 1 2 . 1 1 84 84 THR N N 429 110.173 110.173 114.827 -4.654 18297 909 1 2 . 1 1 84 84 THR HA H 429 4.235 4.235 4.435 -0.200 18297 910 1 2 . 1 1 84 84 THR C C 429 174.905 174.905 174.788 0.117 18297 911 1 2 . 1 1 84 84 THR CA C 429 63.533 63.533 62.825 0.708 18297 912 1 2 . 1 1 84 84 THR CB C 429 70.613 70.613 69.669 0.944 18297 913 1 2 . 1 1 84 84 THR H H 429 7.899 7.899 8.503 -0.604 18297 914 1 2 . 1 1 85 85 THR N N 430 116.438 116.438 120.219 -3.781 18297 915 1 2 . 1 1 85 85 THR HA H 430 5.132 5.132 4.765 0.367 18297 916 1 2 . 1 1 85 85 THR C C 430 173.160 173.160 172.685 0.475 18297 917 1 2 . 1 1 85 85 THR CA C 430 57.863 57.863 60.207 -2.344 18297 918 1 2 . 1 1 85 85 THR CB C 430 71.050 71.050 69.903 1.147 18297 919 1 2 . 1 1 85 85 THR H H 430 7.810 7.810 8.443 -0.633 18297 920 1 2 . 1 1 86 86 PRO HA H 431 4.582 4.582 4.464 0.118 18297 921 1 2 . 1 1 86 86 PRO CA C 431 64.086 64.086 62.996 1.090 18297 922 1 2 . 1 1 86 86 PRO CB C 431 31.995 31.995 32.139 -0.144 18297 923 1 2 . 1 1 87 87 GLN N N 432 117.241 117.241 118.172 -0.931 18297 924 1 2 . 1 1 87 87 GLN HA H 432 4.618 4.618 4.526 0.092 18297 925 1 2 . 1 1 87 87 GLN C C 432 175.653 175.653 174.835 0.818 18297 926 1 2 . 1 1 87 87 GLN CA C 432 54.491 54.491 54.442 0.049 18297 927 1 2 . 1 1 87 87 GLN CB C 432 30.799 30.799 32.168 -1.369 18297 928 1 2 . 1 1 87 87 GLN H H 432 7.786 7.786 7.638 0.148 18297 929 1 2 . 1 1 88 88 THR N N 433 119.651 119.651 117.401 2.250 18297 930 1 2 . 1 1 88 88 THR HA H 433 4.440 4.440 4.813 -0.373 18297 931 1 2 . 1 1 88 88 THR C C 433 173.939 173.939 174.221 -0.282 18297 932 1 2 . 1 1 88 88 THR CA C 433 63.792 63.792 62.141 1.651 18297 933 1 2 . 1 1 88 88 THR CB C 433 70.357 70.357 69.326 1.031 18297 934 1 2 . 1 1 88 88 THR H H 433 8.460 8.460 8.326 0.134 18297 935 1 2 . 1 1 89 89 VAL N N 434 128.068 128.068 127.617 0.451 18297 936 1 2 . 1 1 89 89 VAL HA H 434 4.153 4.153 4.212 -0.059 18297 937 1 2 . 1 1 89 89 VAL C C 434 174.083 174.083 174.439 -0.356 18297 938 1 2 . 1 1 89 89 VAL CA C 434 61.827 61.827 61.226 0.601 18297 939 1 2 . 1 1 89 89 VAL CB C 434 33.937 33.937 33.469 0.468 18297 940 1 2 . 1 1 89 89 VAL H H 434 9.275 9.275 8.154 1.121 18297 941 1 2 . 1 1 90 90 LEU N N 435 125.755 125.755 125.144 0.611 18297 942 1 2 . 1 1 90 90 LEU HA H 435 5.304 5.304 5.357 -0.053 18297 943 1 2 . 1 1 90 90 LEU C C 435 176.455 176.455 176.256 0.199 18297 944 1 2 . 1 1 90 90 LEU CA C 435 53.396 53.396 53.099 0.297 18297 945 1 2 . 1 1 90 90 LEU CB C 435 44.023 44.023 42.651 1.372 18297 946 1 2 . 1 1 90 90 LEU H H 435 8.169 8.169 8.547 -0.378 18297 947 1 2 . 1 1 91 91 PHE N N 436 120.743 120.743 122.746 -2.003 18297 948 1 2 . 1 1 91 91 PHE HA H 436 5.314 5.314 5.271 0.043 18297 949 1 2 . 1 1 91 91 PHE C C 436 174.788 174.788 175.046 -0.258 18297 950 1 2 . 1 1 91 91 PHE CA C 436 56.327 56.327 56.587 -0.261 18297 951 1 2 . 1 1 91 91 PHE CB C 436 43.330 43.330 43.005 0.325 18297 952 1 2 . 1 1 91 91 PHE H H 436 9.222 9.222 9.157 0.065 18297 953 1 2 . 1 1 92 92 LYS N N 437 123.120 123.120 123.196 -0.076 18297 954 1 2 . 1 1 92 92 LYS HA H 437 4.708 4.708 5.085 -0.377 18297 955 1 2 . 1 1 92 92 LYS C C 437 174.606 174.606 174.824 -0.218 18297 956 1 2 . 1 1 92 92 LYS CA C 437 55.139 55.139 55.335 -0.196 18297 957 1 2 . 1 1 92 92 LYS CB C 437 34.269 34.269 34.781 -0.512 18297 958 1 2 . 1 1 92 92 LYS H H 437 8.908 8.908 9.341 -0.433 18297 959 1 2 . 1 1 93 93 LEU N N 438 128.422 128.422 126.902 1.520 18297 960 1 2 . 1 1 93 93 LEU HA H 438 4.480 4.480 4.997 -0.517 18297 961 1 2 . 1 1 93 93 LEU C C 438 175.327 175.327 174.798 0.529 18297 962 1 2 . 1 1 93 93 LEU CA C 438 55.139 55.139 53.307 1.832 18297 963 1 2 . 1 1 93 93 LEU CB C 438 43.976 43.976 43.384 0.592 18297 964 1 2 . 1 1 93 93 LEU H H 438 8.755 8.755 8.208 0.547 18297 965 1 2 . 1 1 94 94 HIS N N 439 123.859 123.859 126.648 -2.789 18297 966 1 2 . 1 1 94 94 HIS HA H 439 5.180 5.180 4.836 0.344 18297 967 1 2 . 1 1 94 94 HIS C C 439 174.297 174.297 173.631 0.666 18297 968 1 2 . 1 1 94 94 HIS CA C 439 53.396 53.396 54.170 -0.774 18297 969 1 2 . 1 1 94 94 HIS CB C 439 30.786 30.786 32.781 -1.995 18297 970 1 2 . 1 1 94 94 HIS H H 439 8.891 8.891 9.371 -0.480 18297 971 1 2 . 1 1 95 95 PHE N N 440 123.544 123.544 123.609 -0.065 18297 972 1 2 . 1 1 95 95 PHE HA H 440 6.231 6.231 5.789 0.442 18297 973 1 2 . 1 1 95 95 PHE C C 440 178.229 178.229 176.666 1.563 18297 974 1 2 . 1 1 95 95 PHE CA C 440 53.690 53.690 57.050 -3.360 18297 975 1 2 . 1 1 95 95 PHE CB C 440 39.477 39.477 40.336 -0.859 18297 976 1 2 . 1 1 95 95 PHE H H 440 8.896 8.896 8.869 0.027 18297 977 1 2 . 1 1 96 96 THR N N 441 114.382 114.382 119.718 -5.336 18297 978 1 2 . 1 1 96 96 THR HA H 441 4.617 4.617 4.506 0.111 18297 979 1 2 . 1 1 96 96 THR C C 441 173.867 173.867 173.816 0.051 18297 980 1 2 . 1 1 96 96 THR CA C 441 61.327 61.327 62.026 -0.699 18297 981 1 2 . 1 1 96 96 THR CB C 441 69.561 69.561 69.224 0.337 18297 982 1 2 . 1 1 96 96 THR H H 441 7.973 7.973 8.510 -0.537 18297 983 1 3 . 1 1 2 2 SER HA H 347 4.570 4.570 4.600 -0.030 18297 984 1 3 . 1 1 2 2 SER C C 347 174.335 174.335 174.532 -0.197 18297 985 1 3 . 1 1 2 2 SER CA C 347 58.350 58.350 57.544 0.805 18297 986 1 3 . 1 1 2 2 SER CB C 347 63.999 63.999 64.336 -0.337 18297 987 1 3 . 1 1 3 3 GLN N N 348 122.478 122.478 123.042 -0.564 18297 988 1 3 . 1 1 3 3 GLN HA H 348 4.430 4.430 4.641 -0.211 18297 989 1 3 . 1 1 3 3 GLN C C 348 175.651 175.651 175.890 -0.239 18297 990 1 3 . 1 1 3 3 GLN CA C 348 55.743 55.743 55.228 0.515 18297 991 1 3 . 1 1 3 3 GLN CB C 348 29.750 29.750 29.425 0.324 18297 992 1 3 . 1 1 3 3 GLN H H 348 8.532 8.532 8.607 -0.075 18297 993 1 3 . 1 1 4 4 LEU N N 349 125.369 125.369 123.149 2.220 18297 994 1 3 . 1 1 4 4 LEU HA H 349 4.634 4.634 4.429 0.205 18297 995 1 3 . 1 1 4 4 LEU C C 349 175.324 175.324 175.554 -0.230 18297 996 1 3 . 1 1 4 4 LEU CA C 349 53.197 53.197 53.093 0.104 18297 997 1 3 . 1 1 4 4 LEU CB C 349 41.867 41.867 41.172 0.695 18297 998 1 3 . 1 1 4 4 LEU H H 349 8.403 8.403 7.440 0.963 18297 999 1 3 . 1 1 5 5 PRO HA H 350 4.360 4.360 4.508 -0.148 18297 1000 1 3 . 1 1 5 5 PRO C C 350 176.639 176.639 176.003 0.636 18297 1001 1 3 . 1 1 5 5 PRO CA C 350 62.748 62.748 62.050 0.698 18297 1002 1 3 . 1 1 5 5 PRO CB C 350 32.319 32.319 32.409 -0.090 18297 1003 1 3 . 1 1 6 6 GLN N N 351 121.707 121.707 123.404 -1.697 18297 1004 1 3 . 1 1 6 6 GLN HA H 351 4.428 4.428 4.528 -0.100 18297 1005 1 3 . 1 1 6 6 GLN C C 351 175.898 175.898 174.362 1.536 18297 1006 1 3 . 1 1 6 6 GLN CA C 351 55.678 55.678 53.975 1.703 18297 1007 1 3 . 1 1 6 6 GLN CB C 351 30.054 30.054 31.256 -1.202 18297 1008 1 3 . 1 1 6 6 GLN H H 351 8.255 8.255 8.622 -0.367 18297 1009 1 3 . 1 1 7 7 ASN N N 352 123.275 123.275 123.128 0.147 18297 1010 1 3 . 1 1 7 7 ASN HA H 352 5.470 5.470 5.722 -0.252 18297 1011 1 3 . 1 1 7 7 ASN C C 352 175.324 175.324 174.924 0.400 18297 1012 1 3 . 1 1 7 7 ASN CA C 352 54.009 54.009 51.986 2.023 18297 1013 1 3 . 1 1 7 7 ASN CB C 352 40.414 40.414 40.150 0.265 18297 1014 1 3 . 1 1 7 7 ASN H H 352 8.860 8.860 8.697 0.163 18297 1015 1 3 . 1 1 8 8 ILE N N 353 119.104 119.104 115.976 3.128 18297 1016 1 3 . 1 1 8 8 ILE HA H 353 4.625 4.625 4.781 -0.156 18297 1017 1 3 . 1 1 8 8 ILE C C 353 173.669 173.669 173.888 -0.219 18297 1018 1 3 . 1 1 8 8 ILE CA C 353 60.201 60.201 59.428 0.773 18297 1019 1 3 . 1 1 8 8 ILE CB C 353 41.404 41.404 42.651 -1.247 18297 1020 1 3 . 1 1 8 8 ILE H H 353 8.808 8.808 9.246 -0.438 18297 1021 1 3 . 1 1 9 9 GLN N N 354 122.671 122.671 121.373 1.298 18297 1022 1 3 . 1 1 9 9 GLN HA H 354 5.586 5.586 5.487 0.099 18297 1023 1 3 . 1 1 9 9 GLN C C 354 174.274 174.274 174.304 -0.030 18297 1024 1 3 . 1 1 9 9 GLN CA C 354 54.491 54.491 54.492 -0.001 18297 1025 1 3 . 1 1 9 9 GLN CB C 354 31.120 31.120 31.551 -0.431 18297 1026 1 3 . 1 1 9 9 GLN H H 354 8.021 8.021 8.253 -0.232 18297 1027 1 3 . 1 1 10 10 PHE N N 355 120.679 120.679 123.128 -2.449 18297 1028 1 3 . 1 1 10 10 PHE HA H 355 4.635 4.635 4.817 -0.182 18297 1029 1 3 . 1 1 10 10 PHE C C 355 174.715 174.715 174.338 0.377 18297 1030 1 3 . 1 1 10 10 PHE CA C 355 57.226 57.226 56.678 0.548 18297 1031 1 3 . 1 1 10 10 PHE CB C 355 45.969 45.969 43.357 2.612 18297 1032 1 3 . 1 1 10 10 PHE H H 355 8.403 8.403 9.279 -0.876 18297 1033 1 3 . 1 1 11 11 SER N N 356 116.116 116.116 117.723 -1.607 18297 1034 1 3 . 1 1 11 11 SER HA H 356 5.020 5.020 5.390 -0.370 18297 1035 1 3 . 1 1 11 11 SER C C 356 174.917 174.917 174.284 0.633 18297 1036 1 3 . 1 1 11 11 SER CA C 356 56.110 56.110 56.043 0.067 18297 1037 1 3 . 1 1 11 11 SER CB C 356 63.879 63.879 62.966 0.913 18297 1038 1 3 . 1 1 11 11 SER H H 356 8.757 8.757 8.667 0.090 18297 1039 1 3 . 1 1 12 12 PRO HA H 357 3.776 3.776 4.252 -0.476 18297 1040 1 3 . 1 1 12 12 PRO C C 357 176.155 176.155 177.595 -1.440 18297 1041 1 3 . 1 1 12 12 PRO CA C 357 64.886 64.886 65.136 -0.250 18297 1042 1 3 . 1 1 12 12 PRO CB C 357 31.222 31.222 31.540 -0.318 18297 1043 1 3 . 1 1 13 13 SER N N 358 107.859 107.859 111.650 -3.791 18297 1044 1 3 . 1 1 13 13 SER HA H 358 4.388 4.388 4.371 0.017 18297 1045 1 3 . 1 1 13 13 SER C C 358 173.972 173.972 173.598 0.374 18297 1046 1 3 . 1 1 13 13 SER CA C 358 57.728 57.728 59.496 -1.768 18297 1047 1 3 . 1 1 13 13 SER CB C 358 63.879 63.879 62.927 0.952 18297 1048 1 3 . 1 1 13 13 SER H H 358 7.636 7.636 8.320 -0.684 18297 1049 1 3 . 1 1 14 14 ALA N N 359 126.012 126.012 124.100 1.912 18297 1050 1 3 . 1 1 14 14 ALA HA H 359 4.320 4.320 4.352 -0.032 18297 1051 1 3 . 1 1 14 14 ALA C C 359 177.288 177.288 175.803 1.485 18297 1052 1 3 . 1 1 14 14 ALA CA C 359 52.849 52.849 52.316 0.533 18297 1053 1 3 . 1 1 14 14 ALA CB C 359 19.372 19.372 19.851 -0.479 18297 1054 1 3 . 1 1 14 14 ALA H H 359 7.937 7.937 7.856 0.081 18297 1055 1 3 . 1 1 15 15 LYS N N 360 119.699 119.699 121.271 -1.572 18297 1056 1 3 . 1 1 15 15 LYS HA H 360 4.751 4.751 4.721 0.030 18297 1057 1 3 . 1 1 15 15 LYS C C 360 179.638 179.638 177.502 2.136 18297 1058 1 3 . 1 1 15 15 LYS CA C 360 54.815 54.815 55.024 -0.209 18297 1059 1 3 . 1 1 15 15 LYS CB C 360 33.127 33.127 33.365 -0.238 18297 1060 1 3 . 1 1 15 15 LYS H H 360 8.523 8.523 8.266 0.257 18297 1061 1 3 . 1 1 16 16 LEU N N 361 123.297 123.297 123.262 0.035 18297 1062 1 3 . 1 1 16 16 LEU HA H 361 3.828 3.828 3.962 -0.134 18297 1063 1 3 . 1 1 16 16 LEU C C 361 178.714 178.714 177.973 0.741 18297 1064 1 3 . 1 1 16 16 LEU CA C 361 58.321 58.321 58.582 -0.261 18297 1065 1 3 . 1 1 16 16 LEU CB C 361 40.240 40.240 41.800 -1.560 18297 1066 1 3 . 1 1 16 16 LEU H H 361 8.383 8.383 8.189 0.194 18297 1067 1 3 . 1 1 17 17 GLN N N 362 117.900 117.900 118.598 -0.698 18297 1068 1 3 . 1 1 17 17 GLN HA H 362 3.621 3.621 3.833 -0.212 18297 1069 1 3 . 1 1 17 17 GLN C C 362 176.370 176.370 177.987 -1.617 18297 1070 1 3 . 1 1 17 17 GLN CA C 362 58.547 58.547 59.441 -0.894 18297 1071 1 3 . 1 1 17 17 GLN CB C 362 29.442 29.442 28.713 0.729 18297 1072 1 3 . 1 1 17 17 GLN H H 362 8.766 8.766 7.930 0.836 18297 1073 1 3 . 1 1 18 18 GLU N N 363 116.341 116.341 119.169 -2.828 18297 1074 1 3 . 1 1 18 18 GLU HA H 363 4.201 4.201 4.383 -0.182 18297 1075 1 3 . 1 1 18 18 GLU C C 363 180.135 180.135 179.446 0.689 18297 1076 1 3 . 1 1 18 18 GLU CA C 363 59.669 59.669 58.751 0.918 18297 1077 1 3 . 1 1 18 18 GLU CB C 363 29.870 29.870 28.939 0.931 18297 1078 1 3 . 1 1 18 18 GLU H H 363 7.783 7.783 8.372 -0.589 18297 1079 1 3 . 1 1 19 19 VAL N N 364 120.647 120.647 120.043 0.604 18297 1080 1 3 . 1 1 19 19 VAL HA H 364 3.421 3.421 3.503 -0.082 18297 1081 1 3 . 1 1 19 19 VAL C C 364 177.380 177.380 177.923 -0.543 18297 1082 1 3 . 1 1 19 19 VAL CA C 364 65.433 65.433 66.011 -0.578 18297 1083 1 3 . 1 1 19 19 VAL CB C 364 30.964 30.964 31.240 -0.276 18297 1084 1 3 . 1 1 19 19 VAL H H 364 7.224 7.224 7.715 -0.491 18297 1085 1 3 . 1 1 20 20 LEU N N 365 120.743 120.743 119.466 1.277 18297 1086 1 3 . 1 1 20 20 LEU HA H 365 3.916 3.916 3.809 0.107 18297 1087 1 3 . 1 1 20 20 LEU C C 365 178.974 178.974 178.813 0.161 18297 1088 1 3 . 1 1 20 20 LEU CA C 365 58.612 58.612 57.751 0.861 18297 1089 1 3 . 1 1 20 20 LEU CB C 365 41.425 41.425 41.595 -0.170 18297 1090 1 3 . 1 1 20 20 LEU H H 365 7.517 7.517 7.374 0.143 18297 1091 1 3 . 1 1 21 21 ASP N N 366 119.329 119.329 117.863 1.466 18297 1092 1 3 . 1 1 21 21 ASP HA H 366 4.306 4.306 4.480 -0.174 18297 1093 1 3 . 1 1 21 21 ASP C C 366 177.992 177.992 177.652 0.340 18297 1094 1 3 . 1 1 21 21 ASP CA C 366 57.405 57.405 56.360 1.045 18297 1095 1 3 . 1 1 21 21 ASP CB C 366 40.265 40.265 40.709 -0.444 18297 1096 1 3 . 1 1 21 21 ASP H H 366 8.805 8.805 7.903 0.902 18297 1097 1 3 . 1 1 22 22 TYR N N 367 121.643 121.643 119.130 2.513 18297 1098 1 3 . 1 1 22 22 TYR HA H 367 4.305 4.305 4.267 0.038 18297 1099 1 3 . 1 1 22 22 TYR C C 367 177.701 177.701 176.659 1.042 18297 1100 1 3 . 1 1 22 22 TYR CA C 367 61.777 61.777 60.440 1.337 18297 1101 1 3 . 1 1 22 22 TYR CB C 367 38.801 38.801 39.083 -0.282 18297 1102 1 3 . 1 1 22 22 TYR H H 367 7.718 7.718 7.547 0.171 18297 1103 1 3 . 1 1 23 23 LEU N N 368 118.414 118.414 118.460 -0.046 18297 1104 1 3 . 1 1 23 23 LEU HA H 368 3.910 3.910 4.114 -0.204 18297 1105 1 3 . 1 1 23 23 LEU C C 368 178.019 178.019 178.206 -0.187 18297 1106 1 3 . 1 1 23 23 LEU CA C 368 57.773 57.773 57.270 0.503 18297 1107 1 3 . 1 1 23 23 LEU CB C 368 42.032 42.032 42.066 -0.034 18297 1108 1 3 . 1 1 23 23 LEU H H 368 8.060 8.060 7.506 0.554 18297 1109 1 3 . 1 1 24 24 THR N N 369 106.606 106.606 110.328 -3.722 18297 1110 1 3 . 1 1 24 24 THR HA H 369 4.507 4.507 4.352 0.155 18297 1111 1 3 . 1 1 24 24 THR C C 369 176.576 176.576 174.030 2.546 18297 1112 1 3 . 1 1 24 24 THR CA C 369 63.245 63.245 62.785 0.460 18297 1113 1 3 . 1 1 24 24 THR CB C 369 70.517 70.517 70.015 0.502 18297 1114 1 3 . 1 1 24 24 THR H H 369 8.017 8.017 7.933 0.084 18297 1115 1 3 . 1 1 25 25 ASN N N 370 118.847 118.847 120.106 -1.259 18297 1116 1 3 . 1 1 25 25 ASN HA H 370 4.846 4.846 4.954 -0.108 18297 1117 1 3 . 1 1 25 25 ASN C C 370 176.455 176.455 174.584 1.871 18297 1118 1 3 . 1 1 25 25 ASN CA C 370 53.944 53.944 52.669 1.275 18297 1119 1 3 . 1 1 25 25 ASN CB C 370 39.718 39.718 41.338 -1.620 18297 1120 1 3 . 1 1 25 25 ASN H H 370 8.149 8.149 8.404 -0.255 18297 1121 1 3 . 1 1 26 26 SER N N 371 116.888 116.888 118.674 -1.786 18297 1122 1 3 . 1 1 26 26 SER HA H 371 4.375 4.375 4.463 -0.088 18297 1123 1 3 . 1 1 26 26 SER C C 371 176.257 176.257 175.060 1.197 18297 1124 1 3 . 1 1 26 26 SER CA C 371 59.603 59.603 60.536 -0.933 18297 1125 1 3 . 1 1 26 26 SER CB C 371 63.792 63.792 63.450 0.342 18297 1126 1 3 . 1 1 26 26 SER H H 371 7.889 7.889 8.756 -0.867 18297 1127 1 3 . 1 1 27 27 ALA N N 372 128.743 128.743 120.851 7.892 18297 1128 1 3 . 1 1 27 27 ALA HA H 372 4.228 4.228 4.644 -0.416 18297 1129 1 3 . 1 1 27 27 ALA C C 372 178.538 178.538 179.694 -1.156 18297 1130 1 3 . 1 1 27 27 ALA CA C 372 54.491 54.491 53.883 0.608 18297 1131 1 3 . 1 1 27 27 ALA CB C 372 18.772 18.772 18.663 0.109 18297 1132 1 3 . 1 1 27 27 ALA H H 372 8.836 8.836 8.063 0.773 18297 1133 1 3 . 1 1 28 28 SER N N 373 110.751 110.751 114.589 -3.838 18297 1134 1 3 . 1 1 28 28 SER HA H 373 4.426 4.426 4.459 -0.033 18297 1135 1 3 . 1 1 28 28 SER C C 373 174.548 174.548 175.517 -0.969 18297 1136 1 3 . 1 1 28 28 SER CA C 373 59.415 59.415 60.504 -1.089 18297 1137 1 3 . 1 1 28 28 SER CB C 373 63.394 63.394 63.135 0.259 18297 1138 1 3 . 1 1 28 28 SER H H 373 8.069 8.069 8.346 -0.277 18297 1139 1 3 . 1 1 29 29 LEU N N 374 122.012 122.012 120.510 1.502 18297 1140 1 3 . 1 1 29 29 LEU HA H 374 4.465 4.465 4.523 -0.058 18297 1141 1 3 . 1 1 29 29 LEU C C 374 175.716 175.716 176.187 -0.471 18297 1142 1 3 . 1 1 29 29 LEU CA C 374 56.132 56.132 53.740 2.392 18297 1143 1 3 . 1 1 29 29 LEU CB C 374 44.295 44.295 41.633 2.662 18297 1144 1 3 . 1 1 29 29 LEU H H 374 7.547 7.547 8.134 -0.587 18297 1145 1 3 . 1 1 30 30 GLN N N 375 116.052 116.052 118.911 -2.859 18297 1146 1 3 . 1 1 30 30 GLN HA H 375 4.003 4.003 4.097 -0.094 18297 1147 1 3 . 1 1 30 30 GLN C C 375 175.498 175.498 177.105 -1.607 18297 1148 1 3 . 1 1 30 30 GLN CA C 375 56.434 56.434 58.428 -1.994 18297 1149 1 3 . 1 1 30 30 GLN CB C 375 27.948 27.948 28.129 -0.181 18297 1150 1 3 . 1 1 30 30 GLN H H 375 8.060 8.060 7.683 0.377 18297 1151 1 3 . 1 1 31 31 MET N N 376 117.691 117.691 116.143 1.548 18297 1152 1 3 . 1 1 31 31 MET HA H 376 4.283 4.283 4.567 -0.284 18297 1153 1 3 . 1 1 31 31 MET C C 376 175.843 175.843 175.933 -0.090 18297 1154 1 3 . 1 1 31 31 MET CA C 376 57.728 57.728 56.435 1.293 18297 1155 1 3 . 1 1 31 31 MET CB C 376 33.451 33.451 33.384 0.067 18297 1156 1 3 . 1 1 31 31 MET H H 376 8.211 8.211 8.009 0.202 18297 1157 1 3 . 1 1 32 32 LYS N N 377 122.028 122.028 119.228 2.800 18297 1158 1 3 . 1 1 32 32 LYS HA H 377 4.414 4.414 4.261 0.153 18297 1159 1 3 . 1 1 32 32 LYS C C 377 177.837 177.837 176.697 1.140 18297 1160 1 3 . 1 1 32 32 LYS CA C 377 58.052 58.052 56.862 1.190 18297 1161 1 3 . 1 1 32 32 LYS CB C 377 34.994 34.994 32.110 2.884 18297 1162 1 3 . 1 1 32 32 LYS H H 377 9.461 9.461 8.171 1.290 18297 1163 1 3 . 1 1 33 33 SER N N 378 115.056 115.056 116.531 -1.475 18297 1164 1 3 . 1 1 33 33 SER HA H 378 4.650 4.650 4.595 0.055 18297 1165 1 3 . 1 1 33 33 SER C C 378 172.026 172.026 173.068 -1.042 18297 1166 1 3 . 1 1 33 33 SER CA C 378 55.038 55.038 56.465 -1.427 18297 1167 1 3 . 1 1 33 33 SER CB C 378 62.908 62.908 63.490 -0.582 18297 1168 1 3 . 1 1 33 33 SER H H 378 10.101 10.101 7.595 2.506 18297 1169 1 3 . 1 1 34 34 PRO HA H 379 5.043 5.043 4.211 0.832 18297 1170 1 3 . 1 1 34 34 PRO C C 379 175.422 175.422 175.252 0.170 18297 1171 1 3 . 1 1 34 34 PRO CA C 379 63.792 63.792 63.313 0.479 18297 1172 1 3 . 1 1 34 34 PRO CB C 379 33.703 33.703 31.878 1.825 18297 1173 1 3 . 1 1 35 35 ALA N N 380 121.498 121.498 124.641 -3.143 18297 1174 1 3 . 1 1 35 35 ALA HA H 380 5.137 5.137 4.209 0.928 18297 1175 1 3 . 1 1 35 35 ALA C C 380 177.313 177.313 175.572 1.741 18297 1176 1 3 . 1 1 35 35 ALA CA C 380 50.661 50.661 50.023 0.638 18297 1177 1 3 . 1 1 35 35 ALA CB C 380 22.118 22.118 21.583 0.535 18297 1178 1 3 . 1 1 35 35 ALA H H 380 8.894 8.894 8.685 0.209 18297 1179 1 3 . 1 1 36 36 ILE N N 381 120.470 120.470 125.249 -4.779 18297 1180 1 3 . 1 1 36 36 ILE HA H 381 4.967 4.967 4.619 0.348 18297 1181 1 3 . 1 1 36 36 ILE C C 381 175.314 175.314 175.278 0.036 18297 1182 1 3 . 1 1 36 36 ILE CA C 381 61.056 61.056 60.396 0.660 18297 1183 1 3 . 1 1 36 36 ILE CB C 381 41.364 41.364 39.372 1.992 18297 1184 1 3 . 1 1 36 36 ILE H H 381 9.038 9.038 8.827 0.211 18297 1185 1 3 . 1 1 37 37 THR N N 382 123.297 123.297 123.560 -0.263 18297 1186 1 3 . 1 1 37 37 THR HA H 382 5.252 5.252 4.973 0.279 18297 1187 1 3 . 1 1 37 37 THR C C 382 172.289 172.289 172.516 -0.227 18297 1188 1 3 . 1 1 37 37 THR CA C 382 60.977 60.977 61.114 -0.137 18297 1189 1 3 . 1 1 37 37 THR CB C 382 71.919 71.919 71.364 0.555 18297 1190 1 3 . 1 1 37 37 THR H H 382 9.363 9.363 8.221 1.142 18297 1191 1 3 . 1 1 38 38 ALA N N 383 123.340 123.340 127.913 -4.573 18297 1192 1 3 . 1 1 38 38 ALA HA H 383 4.935 4.935 4.923 0.012 18297 1193 1 3 . 1 1 38 38 ALA C C 383 175.743 175.743 175.593 0.150 18297 1194 1 3 . 1 1 38 38 ALA CA C 383 51.147 51.147 51.133 0.014 18297 1195 1 3 . 1 1 38 38 ALA CB C 383 22.758 22.758 22.623 0.135 18297 1196 1 3 . 1 1 38 38 ALA H H 383 8.896 8.896 9.082 -0.186 18297 1197 1 3 . 1 1 39 39 THR N N 384 118.815 118.815 115.659 3.156 18297 1198 1 3 . 1 1 39 39 THR HA H 384 4.892 4.892 5.319 -0.427 18297 1199 1 3 . 1 1 39 39 THR C C 384 174.098 174.098 174.478 -0.380 18297 1200 1 3 . 1 1 39 39 THR CA C 384 62.310 62.310 60.520 1.790 18297 1201 1 3 . 1 1 39 39 THR CB C 384 69.263 69.263 69.792 -0.529 18297 1202 1 3 . 1 1 39 39 THR H H 384 8.968 8.968 8.356 0.612 18297 1203 1 3 . 1 1 40 40 LEU N N 385 128.711 128.711 121.926 6.785 18297 1204 1 3 . 1 1 40 40 LEU HA H 385 4.791 4.791 4.840 -0.049 18297 1205 1 3 . 1 1 40 40 LEU C C 385 176.479 176.479 176.748 -0.269 18297 1206 1 3 . 1 1 40 40 LEU CA C 385 53.944 53.944 54.209 -0.265 18297 1207 1 3 . 1 1 40 40 LEU CB C 385 44.966 44.966 44.589 0.377 18297 1208 1 3 . 1 1 40 40 LEU H H 385 8.667 8.667 9.035 -0.368 18297 1209 1 3 . 1 1 41 41 GLU N N 386 124.470 124.470 123.490 0.980 18297 1210 1 3 . 1 1 41 41 GLU HA H 386 3.936 3.936 3.845 0.091 18297 1211 1 3 . 1 1 41 41 GLU C C 386 176.878 176.878 176.908 -0.030 18297 1212 1 3 . 1 1 41 41 GLU CA C 386 57.226 57.226 56.382 0.844 18297 1213 1 3 . 1 1 41 41 GLU CB C 386 27.735 27.735 29.165 -1.430 18297 1214 1 3 . 1 1 41 41 GLU H H 386 9.547 9.547 9.428 0.119 18297 1215 1 3 . 1 1 42 42 GLY N N 387 104.068 104.068 102.079 1.989 18297 1216 1 3 . 1 1 42 42 GLY C C 387 173.993 173.993 174.521 -0.528 18297 1217 1 3 . 1 1 42 42 GLY CA C 387 45.596 45.596 45.423 0.173 18297 1218 1 3 . 1 1 42 42 GLY H H 387 8.578 8.578 8.402 0.176 18297 1219 1 3 . 1 1 43 43 LYS N N 388 120.422 120.422 122.070 -1.648 18297 1220 1 3 . 1 1 43 43 LYS HA H 388 4.701 4.701 4.612 0.089 18297 1221 1 3 . 1 1 43 43 LYS C C 388 175.054 175.054 174.939 0.115 18297 1222 1 3 . 1 1 43 43 LYS CA C 388 54.491 54.491 54.305 0.186 18297 1223 1 3 . 1 1 43 43 LYS CB C 388 34.968 34.968 34.138 0.830 18297 1224 1 3 . 1 1 43 43 LYS H H 388 7.826 7.826 7.957 -0.131 18297 1225 1 3 . 1 1 44 44 ASN N N 389 122.606 122.606 119.850 2.756 18297 1226 1 3 . 1 1 44 44 ASN HA H 389 4.895 4.895 5.074 -0.179 18297 1227 1 3 . 1 1 44 44 ASN C C 389 174.905 174.905 175.028 -0.123 18297 1228 1 3 . 1 1 44 44 ASN CA C 389 53.944 53.944 52.928 1.016 18297 1229 1 3 . 1 1 44 44 ASN CB C 389 39.229 39.229 39.539 -0.310 18297 1230 1 3 . 1 1 44 44 ASN H H 389 8.827 8.827 8.705 0.122 18297 1231 1 3 . 1 1 45 45 ARG N N 390 125.867 125.867 125.478 0.389 18297 1232 1 3 . 1 1 45 45 ARG HA H 390 4.756 4.756 4.706 0.050 18297 1233 1 3 . 1 1 45 45 ARG C C 390 175.224 175.224 174.989 0.235 18297 1234 1 3 . 1 1 45 45 ARG CA C 390 54.491 54.491 54.253 0.238 18297 1235 1 3 . 1 1 45 45 ARG CB C 390 32.973 32.973 32.140 0.833 18297 1236 1 3 . 1 1 45 45 ARG H H 390 9.220 9.220 9.135 0.085 18297 1237 1 3 . 1 1 46 46 THR N N 391 122.574 122.574 122.949 -0.375 18297 1238 1 3 . 1 1 46 46 THR HA H 391 4.289 4.289 4.505 -0.216 18297 1239 1 3 . 1 1 46 46 THR C C 391 174.010 174.010 173.948 0.062 18297 1240 1 3 . 1 1 46 46 THR CA C 391 63.509 63.509 62.560 0.949 18297 1241 1 3 . 1 1 46 46 THR CB C 391 68.716 68.716 69.634 -0.918 18297 1242 1 3 . 1 1 46 46 THR H H 391 8.940 8.940 8.664 0.276 18297 1243 1 3 . 1 1 47 47 LEU N N 392 128.647 128.647 125.497 3.150 18297 1244 1 3 . 1 1 47 47 LEU HA H 392 4.339 4.339 4.464 -0.125 18297 1245 1 3 . 1 1 47 47 LEU C C 392 176.670 176.670 176.552 0.118 18297 1246 1 3 . 1 1 47 47 LEU CA C 392 56.132 56.132 54.982 1.150 18297 1247 1 3 . 1 1 47 47 LEU CB C 392 42.678 42.678 42.198 0.480 18297 1248 1 3 . 1 1 47 47 LEU H H 392 9.096 9.096 8.550 0.546 18297 1249 1 3 . 1 1 48 48 TYR N N 393 113.514 113.514 119.328 -5.814 18297 1250 1 3 . 1 1 48 48 TYR HA H 393 4.618 4.618 4.258 0.360 18297 1251 1 3 . 1 1 48 48 TYR C C 393 173.455 173.455 176.089 -2.634 18297 1252 1 3 . 1 1 48 48 TYR CA C 393 59.415 59.415 59.825 -0.410 18297 1253 1 3 . 1 1 48 48 TYR CB C 393 41.384 41.384 39.679 1.705 18297 1254 1 3 . 1 1 48 48 TYR H H 393 7.562 7.562 7.610 -0.048 18297 1255 1 3 . 1 1 57 57 GLU N N 402 128.181 128.181 124.395 3.786 18297 1256 1 3 . 1 1 57 57 GLU H H 402 8.645 8.645 8.241 0.404 18297 1257 1 3 . 1 1 58 58 ARG N N 403 117.080 117.080 123.498 -6.418 18297 1258 1 3 . 1 1 58 58 ARG HA H 403 4.302 4.302 4.551 -0.249 18297 1259 1 3 . 1 1 58 58 ARG CA C 403 58.321 58.321 55.722 2.599 18297 1260 1 3 . 1 1 58 58 ARG CB C 403 31.165 31.165 29.588 1.577 18297 1261 1 3 . 1 1 58 58 ARG H H 403 8.278 8.278 7.855 0.423 18297 1262 1 3 . 1 1 59 59 THR N N 404 108.390 108.390 112.461 -4.071 18297 1263 1 3 . 1 1 59 59 THR HA H 404 4.932 4.932 4.223 0.709 18297 1264 1 3 . 1 1 59 59 THR H H 404 8.301 8.301 8.048 0.253 18297 1265 1 3 . 1 1 60 60 ARG N N 405 126.639 126.639 116.563 10.076 18297 1266 1 3 . 1 1 60 60 ARG H H 405 8.549 8.549 7.620 0.929 18297 1267 1 3 . 1 1 61 61 PRO HA H 406 4.431 4.431 4.247 0.184 18297 1268 1 3 . 1 1 61 61 PRO C C 406 178.434 178.434 177.307 1.127 18297 1269 1 3 . 1 1 61 61 PRO CA C 406 65.980 65.980 65.631 0.349 18297 1270 1 3 . 1 1 61 61 PRO CB C 406 31.348 31.348 31.897 -0.549 18297 1271 1 3 . 1 1 62 62 ASN N N 407 114.574 114.574 116.686 -2.112 18297 1272 1 3 . 1 1 62 62 ASN HA H 407 4.390 4.390 4.461 -0.071 18297 1273 1 3 . 1 1 62 62 ASN C C 407 177.863 177.863 177.807 0.056 18297 1274 1 3 . 1 1 62 62 ASN CA C 407 55.308 55.308 55.400 -0.092 18297 1275 1 3 . 1 1 62 62 ASN CB C 407 37.530 37.530 36.800 0.730 18297 1276 1 3 . 1 1 62 62 ASN H H 407 8.481 8.481 8.735 -0.254 18297 1277 1 3 . 1 1 63 63 LEU N N 408 115.667 115.667 119.921 -4.254 18297 1278 1 3 . 1 1 63 63 LEU HA H 408 3.861 3.861 4.170 -0.308 18297 1279 1 3 . 1 1 63 63 LEU C C 408 177.708 177.708 178.581 -0.873 18297 1280 1 3 . 1 1 63 63 LEU CA C 408 57.667 57.667 57.219 0.448 18297 1281 1 3 . 1 1 63 63 LEU CB C 408 41.706 41.706 41.454 0.252 18297 1282 1 3 . 1 1 63 63 LEU H H 408 8.022 8.022 7.995 0.027 18297 1283 1 3 . 1 1 64 64 SER N N 409 109.209 109.209 111.355 -2.146 18297 1284 1 3 . 1 1 64 64 SER HA H 409 4.588 4.588 4.445 0.143 18297 1285 1 3 . 1 1 64 64 SER C C 409 173.870 173.870 174.321 -0.451 18297 1286 1 3 . 1 1 64 64 SER CA C 409 58.321 58.321 59.483 -1.162 18297 1287 1 3 . 1 1 64 64 SER CB C 409 63.855 63.855 63.596 0.259 18297 1288 1 3 . 1 1 64 64 SER H H 409 7.232 7.232 7.562 -0.330 18297 1289 1 3 . 1 1 65 65 LYS N N 410 122.735 122.735 121.009 1.726 18297 1290 1 3 . 1 1 65 65 LYS HA H 410 4.609 4.609 4.465 0.144 18297 1291 1 3 . 1 1 65 65 LYS C C 410 175.946 175.946 175.883 0.063 18297 1292 1 3 . 1 1 65 65 LYS CA C 410 55.463 55.463 55.271 0.192 18297 1293 1 3 . 1 1 65 65 LYS CB C 410 34.422 34.422 34.451 -0.029 18297 1294 1 3 . 1 1 65 65 LYS H H 410 7.543 7.543 7.273 0.270 18297 1295 1 3 . 1 1 66 66 THR N N 411 110.944 110.944 111.363 -0.419 18297 1296 1 3 . 1 1 66 66 THR HA H 411 5.003 5.003 4.709 0.294 18297 1297 1 3 . 1 1 66 66 THR C C 411 176.038 176.038 176.543 -0.505 18297 1298 1 3 . 1 1 66 66 THR CA C 411 60.221 60.221 60.512 -0.291 18297 1299 1 3 . 1 1 66 66 THR CB C 411 70.956 70.956 70.685 0.271 18297 1300 1 3 . 1 1 66 66 THR H H 411 8.980 8.980 8.158 0.822 18297 1301 1 3 . 1 1 67 67 LEU N N 412 118.076 118.076 121.093 -3.017 18297 1302 1 3 . 1 1 67 67 LEU HA H 412 3.961 3.961 3.989 -0.028 18297 1303 1 3 . 1 1 67 67 LEU C C 412 179.227 179.227 178.773 0.454 18297 1304 1 3 . 1 1 67 67 LEU CA C 412 58.321 58.321 58.697 -0.376 18297 1305 1 3 . 1 1 67 67 LEU CB C 412 39.914 39.914 41.445 -1.531 18297 1306 1 3 . 1 1 67 67 LEU H H 412 8.434 8.434 8.981 -0.547 18297 1307 1 3 . 1 1 68 68 LYS N N 413 116.373 116.373 120.228 -3.855 18297 1308 1 3 . 1 1 68 68 LYS HA H 413 4.285 4.285 3.890 0.395 18297 1309 1 3 . 1 1 68 68 LYS C C 413 181.338 181.338 179.652 1.686 18297 1310 1 3 . 1 1 68 68 LYS CA C 413 58.868 58.868 59.470 -0.602 18297 1311 1 3 . 1 1 68 68 LYS CB C 413 32.606 32.606 32.198 0.408 18297 1312 1 3 . 1 1 68 68 LYS H H 413 8.171 8.171 7.625 0.546 18297 1313 1 3 . 1 1 69 69 GLU N N 414 123.731 123.731 119.591 4.140 18297 1314 1 3 . 1 1 69 69 GLU HA H 414 4.072 4.072 4.090 -0.018 18297 1315 1 3 . 1 1 69 69 GLU C C 414 179.202 179.202 178.791 0.411 18297 1316 1 3 . 1 1 69 69 GLU CA C 414 58.868 58.868 58.840 0.028 18297 1317 1 3 . 1 1 69 69 GLU CB C 414 29.566 29.566 29.302 0.264 18297 1318 1 3 . 1 1 69 69 GLU H H 414 8.326 8.326 7.840 0.486 18297 1319 1 3 . 1 1 70 70 LEU N N 415 119.008 119.008 117.508 1.500 18297 1320 1 3 . 1 1 70 70 LEU HA H 415 4.218 4.218 4.201 0.017 18297 1321 1 3 . 1 1 70 70 LEU C C 415 176.505 176.505 177.791 -1.286 18297 1322 1 3 . 1 1 70 70 LEU CA C 415 55.822 55.822 55.493 0.329 18297 1323 1 3 . 1 1 70 70 LEU CB C 415 43.012 43.012 42.226 0.786 18297 1324 1 3 . 1 1 70 70 LEU H H 415 7.993 7.993 7.641 0.352 18297 1325 1 3 . 1 1 71 71 GLY N N 416 105.578 105.578 106.619 -1.041 18297 1326 1 3 . 1 1 71 71 GLY C C 416 174.505 174.505 174.564 -0.059 18297 1327 1 3 . 1 1 71 71 GLY CA C 416 45.191 45.191 45.187 0.004 18297 1328 1 3 . 1 1 71 71 GLY H H 416 7.880 7.880 7.563 0.317 18297 1329 1 3 . 1 1 72 72 LEU N N 417 119.201 119.201 122.763 -3.562 18297 1330 1 3 . 1 1 72 72 LEU HA H 417 4.599 4.599 4.627 -0.028 18297 1331 1 3 . 1 1 72 72 LEU C C 417 176.208 176.208 175.814 0.394 18297 1332 1 3 . 1 1 72 72 LEU CA C 417 54.815 54.815 54.785 0.030 18297 1333 1 3 . 1 1 72 72 LEU CB C 417 41.867 41.867 43.167 -1.300 18297 1334 1 3 . 1 1 72 72 LEU H H 417 7.466 7.466 7.889 -0.423 18297 1335 1 3 . 1 1 73 73 VAL N N 418 112.871 112.871 119.798 -6.927 18297 1336 1 3 . 1 1 73 73 VAL HA H 418 4.782 4.782 4.600 0.182 18297 1337 1 3 . 1 1 73 73 VAL C C 418 174.804 174.804 174.690 0.114 18297 1338 1 3 . 1 1 73 73 VAL CA C 418 59.070 59.070 59.406 -0.336 18297 1339 1 3 . 1 1 73 73 VAL CB C 418 35.557 35.557 35.214 0.343 18297 1340 1 3 . 1 1 73 73 VAL H H 418 8.003 8.003 7.953 0.050 18297 1341 1 3 . 1 1 74 74 ASP N N 419 119.972 119.972 123.704 -3.732 18297 1342 1 3 . 1 1 74 74 ASP HA H 419 3.593 3.593 4.660 -1.067 18297 1343 1 3 . 1 1 74 74 ASP C C 419 177.545 177.545 177.321 0.224 18297 1344 1 3 . 1 1 74 74 ASP CA C 419 56.419 56.419 55.640 0.779 18297 1345 1 3 . 1 1 74 74 ASP CB C 419 42.035 42.035 41.310 0.725 18297 1346 1 3 . 1 1 74 74 ASP H H 419 8.250 8.250 8.684 -0.434 18297 1347 1 3 . 1 1 75 75 GLY N N 420 116.020 116.020 115.450 0.570 18297 1348 1 3 . 1 1 75 75 GLY C C 420 173.763 173.763 173.525 0.238 18297 1349 1 3 . 1 1 75 75 GLY CA C 420 45.354 45.354 44.681 0.673 18297 1350 1 3 . 1 1 75 75 GLY H H 420 8.704 8.704 8.730 -0.026 18297 1351 1 3 . 1 1 76 76 GLN N N 421 121.514 121.514 121.121 0.393 18297 1352 1 3 . 1 1 76 76 GLN HA H 421 4.048 4.048 4.326 -0.278 18297 1353 1 3 . 1 1 76 76 GLN C C 421 175.023 175.023 175.010 0.013 18297 1354 1 3 . 1 1 76 76 GLN CA C 421 56.709 56.709 55.539 1.170 18297 1355 1 3 . 1 1 76 76 GLN CB C 421 29.511 29.511 30.093 -0.583 18297 1356 1 3 . 1 1 76 76 GLN H H 421 7.867 7.867 7.460 0.407 18297 1357 1 3 . 1 1 77 77 GLU N N 422 123.859 123.859 125.083 -1.224 18297 1358 1 3 . 1 1 77 77 GLU HA H 422 5.186 5.186 5.339 -0.153 18297 1359 1 3 . 1 1 77 77 GLU C C 422 176.877 176.877 176.074 0.803 18297 1360 1 3 . 1 1 77 77 GLU CA C 422 55.786 55.786 55.129 0.657 18297 1361 1 3 . 1 1 77 77 GLU CB C 422 31.509 31.509 30.988 0.521 18297 1362 1 3 . 1 1 77 77 GLU H H 422 8.568 8.568 8.528 0.040 18297 1363 1 3 . 1 1 78 78 LEU N N 423 125.867 125.867 125.686 0.181 18297 1364 1 3 . 1 1 78 78 LEU HA H 423 5.080 5.080 4.560 0.520 18297 1365 1 3 . 1 1 78 78 LEU C C 423 174.470 174.470 175.554 -1.084 18297 1366 1 3 . 1 1 78 78 LEU CA C 423 53.686 53.686 53.765 -0.079 18297 1367 1 3 . 1 1 78 78 LEU CB C 423 44.966 44.966 44.138 0.828 18297 1368 1 3 . 1 1 78 78 LEU H H 423 9.313 9.313 9.053 0.260 18297 1369 1 3 . 1 1 79 79 ALA N N 424 126.044 126.044 126.635 -0.591 18297 1370 1 3 . 1 1 79 79 ALA HA H 424 5.206 5.206 4.680 0.526 18297 1371 1 3 . 1 1 79 79 ALA C C 424 176.786 176.786 175.604 1.182 18297 1372 1 3 . 1 1 79 79 ALA CA C 424 51.049 51.049 51.027 0.022 18297 1373 1 3 . 1 1 79 79 ALA CB C 424 20.453 20.453 19.849 0.604 18297 1374 1 3 . 1 1 79 79 ALA H H 424 8.918 8.918 8.483 0.435 18297 1375 1 3 . 1 1 80 80 VAL N N 425 124.759 124.759 124.681 0.078 18297 1376 1 3 . 1 1 80 80 VAL HA H 425 5.344 5.344 5.373 -0.029 18297 1377 1 3 . 1 1 80 80 VAL C C 425 173.757 173.757 174.573 -0.816 18297 1378 1 3 . 1 1 80 80 VAL CA C 425 60.886 60.886 60.185 0.701 18297 1379 1 3 . 1 1 80 80 VAL CB C 425 34.908 34.908 34.864 0.044 18297 1380 1 3 . 1 1 80 80 VAL H H 425 9.357 9.357 8.779 0.578 18297 1381 1 3 . 1 1 81 81 ALA N N 426 129.353 129.353 129.294 0.059 18297 1382 1 3 . 1 1 81 81 ALA HA H 426 5.045 5.045 4.891 0.154 18297 1383 1 3 . 1 1 81 81 ALA C C 426 175.938 175.938 175.308 0.630 18297 1384 1 3 . 1 1 81 81 ALA CA C 426 50.133 50.133 50.076 0.057 18297 1385 1 3 . 1 1 81 81 ALA CB C 426 22.758 22.758 22.886 -0.128 18297 1386 1 3 . 1 1 81 81 ALA H H 426 8.502 8.502 8.703 -0.201 18297 1387 1 3 . 1 1 82 82 ASP N N 427 120.165 120.165 121.965 -1.800 18297 1388 1 3 . 1 1 82 82 ASP HA H 427 5.100 5.100 4.908 0.192 18297 1389 1 3 . 1 1 82 82 ASP C C 427 176.669 176.669 176.562 0.107 18297 1390 1 3 . 1 1 82 82 ASP CA C 427 54.491 54.491 53.272 1.219 18297 1391 1 3 . 1 1 82 82 ASP CB C 427 46.891 46.891 44.253 2.638 18297 1392 1 3 . 1 1 82 82 ASP H H 427 8.906 8.906 8.125 0.781 18297 1393 1 3 . 1 1 83 83 VAL N N 428 119.201 119.201 115.401 3.800 18297 1394 1 3 . 1 1 83 83 VAL HA H 428 4.153 4.153 4.100 0.053 18297 1395 1 3 . 1 1 83 83 VAL C C 428 177.085 177.085 176.694 0.391 18297 1396 1 3 . 1 1 83 83 VAL CA C 428 63.992 63.992 64.246 -0.254 18297 1397 1 3 . 1 1 83 83 VAL CB C 428 31.772 31.772 31.848 -0.076 18297 1398 1 3 . 1 1 83 83 VAL H H 428 8.114 8.114 8.588 -0.474 18297 1399 1 3 . 1 1 84 84 THR N N 429 110.173 110.173 115.977 -5.804 18297 1400 1 3 . 1 1 84 84 THR HA H 429 4.235 4.235 4.243 -0.008 18297 1401 1 3 . 1 1 84 84 THR C C 429 174.905 174.905 174.263 0.642 18297 1402 1 3 . 1 1 84 84 THR CA C 429 63.533 63.533 64.034 -0.501 18297 1403 1 3 . 1 1 84 84 THR CB C 429 70.613 70.613 69.338 1.275 18297 1404 1 3 . 1 1 84 84 THR H H 429 7.899 7.899 8.331 -0.432 18297 1405 1 3 . 1 1 85 85 THR N N 430 116.438 116.438 116.852 -0.414 18297 1406 1 3 . 1 1 85 85 THR HA H 430 5.132 5.132 4.761 0.371 18297 1407 1 3 . 1 1 85 85 THR C C 430 173.160 173.160 172.943 0.217 18297 1408 1 3 . 1 1 85 85 THR CA C 430 57.863 57.863 60.020 -2.157 18297 1409 1 3 . 1 1 85 85 THR CB C 430 71.050 71.050 70.465 0.585 18297 1410 1 3 . 1 1 85 85 THR H H 430 7.810 7.810 7.384 0.426 18297 1411 1 3 . 1 1 86 86 PRO HA H 431 4.582 4.582 4.560 0.022 18297 1412 1 3 . 1 1 86 86 PRO CA C 431 64.086 64.086 63.206 0.880 18297 1413 1 3 . 1 1 86 86 PRO CB C 431 31.995 31.995 32.137 -0.142 18297 1414 1 3 . 1 1 87 87 GLN N N 432 117.241 117.241 118.513 -1.272 18297 1415 1 3 . 1 1 87 87 GLN HA H 432 4.618 4.618 4.604 0.014 18297 1416 1 3 . 1 1 87 87 GLN C C 432 175.653 175.653 175.068 0.585 18297 1417 1 3 . 1 1 87 87 GLN CA C 432 54.491 54.491 54.839 -0.348 18297 1418 1 3 . 1 1 87 87 GLN CB C 432 30.799 30.799 30.019 0.780 18297 1419 1 3 . 1 1 87 87 GLN H H 432 7.786 7.786 7.854 -0.068 18297 1420 1 3 . 1 1 88 88 THR N N 433 119.651 119.651 113.974 5.677 18297 1421 1 3 . 1 1 88 88 THR HA H 433 4.440 4.440 4.861 -0.421 18297 1422 1 3 . 1 1 88 88 THR C C 433 173.939 173.939 174.050 -0.111 18297 1423 1 3 . 1 1 88 88 THR CA C 433 63.792 63.792 60.743 3.049 18297 1424 1 3 . 1 1 88 88 THR CB C 433 70.357 70.357 70.058 0.299 18297 1425 1 3 . 1 1 88 88 THR H H 433 8.460 8.460 8.200 0.260 18297 1426 1 3 . 1 1 89 89 VAL N N 434 128.068 128.068 118.856 9.212 18297 1427 1 3 . 1 1 89 89 VAL HA H 434 4.153 4.153 4.607 -0.454 18297 1428 1 3 . 1 1 89 89 VAL C C 434 174.083 174.083 173.906 0.177 18297 1429 1 3 . 1 1 89 89 VAL CA C 434 61.827 61.827 59.462 2.365 18297 1430 1 3 . 1 1 89 89 VAL CB C 434 33.937 33.937 34.273 -0.335 18297 1431 1 3 . 1 1 89 89 VAL H H 434 9.275 9.275 9.002 0.273 18297 1432 1 3 . 1 1 90 90 LEU N N 435 125.755 125.755 123.507 2.248 18297 1433 1 3 . 1 1 90 90 LEU HA H 435 5.304 5.304 5.379 -0.075 18297 1434 1 3 . 1 1 90 90 LEU C C 435 176.455 176.455 176.073 0.382 18297 1435 1 3 . 1 1 90 90 LEU CA C 435 53.396 53.396 53.308 0.088 18297 1436 1 3 . 1 1 90 90 LEU CB C 435 44.023 44.023 44.239 -0.215 18297 1437 1 3 . 1 1 90 90 LEU H H 435 8.169 8.169 8.325 -0.156 18297 1438 1 3 . 1 1 91 91 PHE N N 436 120.743 120.743 121.280 -0.537 18297 1439 1 3 . 1 1 91 91 PHE HA H 436 5.314 5.314 5.553 -0.239 18297 1440 1 3 . 1 1 91 91 PHE C C 436 174.788 174.788 175.121 -0.333 18297 1441 1 3 . 1 1 91 91 PHE CA C 436 56.327 56.327 56.268 0.059 18297 1442 1 3 . 1 1 91 91 PHE CB C 436 43.330 43.330 43.248 0.082 18297 1443 1 3 . 1 1 91 91 PHE H H 436 9.222 9.222 9.328 -0.106 18297 1444 1 3 . 1 1 92 92 LYS N N 437 123.120 123.120 123.381 -0.261 18297 1445 1 3 . 1 1 92 92 LYS HA H 437 4.708 4.708 5.103 -0.395 18297 1446 1 3 . 1 1 92 92 LYS C C 437 174.606 174.606 174.927 -0.321 18297 1447 1 3 . 1 1 92 92 LYS CA C 437 55.139 55.139 55.444 -0.305 18297 1448 1 3 . 1 1 92 92 LYS CB C 437 34.269 34.269 34.547 -0.278 18297 1449 1 3 . 1 1 92 92 LYS H H 437 8.908 8.908 9.257 -0.349 18297 1450 1 3 . 1 1 93 93 LEU N N 438 128.422 128.422 126.854 1.568 18297 1451 1 3 . 1 1 93 93 LEU HA H 438 4.480 4.480 4.962 -0.482 18297 1452 1 3 . 1 1 93 93 LEU C C 438 175.327 175.327 174.667 0.660 18297 1453 1 3 . 1 1 93 93 LEU CA C 438 55.139 55.139 53.363 1.776 18297 1454 1 3 . 1 1 93 93 LEU CB C 438 43.976 43.976 43.610 0.366 18297 1455 1 3 . 1 1 93 93 LEU H H 438 8.755 8.755 8.357 0.398 18297 1456 1 3 . 1 1 94 94 HIS N N 439 123.859 123.859 125.603 -1.744 18297 1457 1 3 . 1 1 94 94 HIS HA H 439 5.180 5.180 5.071 0.109 18297 1458 1 3 . 1 1 94 94 HIS C C 439 174.297 174.297 174.054 0.243 18297 1459 1 3 . 1 1 94 94 HIS CA C 439 53.396 53.396 53.995 -0.599 18297 1460 1 3 . 1 1 94 94 HIS CB C 439 30.786 30.786 32.903 -2.117 18297 1461 1 3 . 1 1 94 94 HIS H H 439 8.891 8.891 9.190 -0.299 18297 1462 1 3 . 1 1 95 95 PHE N N 440 123.544 123.544 124.682 -1.138 18297 1463 1 3 . 1 1 95 95 PHE HA H 440 6.231 6.231 5.681 0.550 18297 1464 1 3 . 1 1 95 95 PHE C C 440 178.229 178.229 176.435 1.794 18297 1465 1 3 . 1 1 95 95 PHE CA C 440 53.690 53.690 57.458 -3.768 18297 1466 1 3 . 1 1 95 95 PHE CB C 440 39.477 39.477 39.780 -0.303 18297 1467 1 3 . 1 1 95 95 PHE H H 440 8.896 8.896 8.985 -0.089 18297 1468 1 3 . 1 1 96 96 THR N N 441 114.382 114.382 120.126 -5.744 18297 1469 1 3 . 1 1 96 96 THR HA H 441 4.617 4.617 4.658 -0.041 18297 1470 1 3 . 1 1 96 96 THR C C 441 173.867 173.867 173.383 0.484 18297 1471 1 3 . 1 1 96 96 THR CA C 441 61.327 61.327 60.557 0.770 18297 1472 1 3 . 1 1 96 96 THR CB C 441 69.561 69.561 70.012 -0.451 18297 1473 1 3 . 1 1 96 96 THR H H 441 7.973 7.973 8.842 -0.869 18297 1474 1 4 . 1 1 2 2 SER HA H 347 4.570 4.570 4.667 -0.097 18297 1475 1 4 . 1 1 2 2 SER C C 347 174.335 174.335 174.387 -0.052 18297 1476 1 4 . 1 1 2 2 SER CA C 347 58.350 58.350 57.608 0.742 18297 1477 1 4 . 1 1 2 2 SER CB C 347 63.999 63.999 65.313 -1.314 18297 1478 1 4 . 1 1 3 3 GLN N N 348 122.478 122.478 120.202 2.276 18297 1479 1 4 . 1 1 3 3 GLN HA H 348 4.430 4.430 4.300 0.130 18297 1480 1 4 . 1 1 3 3 GLN C C 348 175.651 175.651 175.762 -0.111 18297 1481 1 4 . 1 1 3 3 GLN CA C 348 55.743 55.743 56.099 -0.355 18297 1482 1 4 . 1 1 3 3 GLN CB C 348 29.750 29.750 28.905 0.845 18297 1483 1 4 . 1 1 3 3 GLN H H 348 8.532 8.532 8.534 -0.002 18297 1484 1 4 . 1 1 4 4 LEU N N 349 125.369 125.369 122.369 3.000 18297 1485 1 4 . 1 1 4 4 LEU HA H 349 4.634 4.634 4.367 0.267 18297 1486 1 4 . 1 1 4 4 LEU C C 349 175.324 175.324 175.068 0.256 18297 1487 1 4 . 1 1 4 4 LEU CA C 349 53.197 53.197 53.189 0.008 18297 1488 1 4 . 1 1 4 4 LEU CB C 349 41.867 41.867 40.503 1.364 18297 1489 1 4 . 1 1 4 4 LEU H H 349 8.403 8.403 7.723 0.680 18297 1490 1 4 . 1 1 5 5 PRO HA H 350 4.360 4.360 4.350 0.010 18297 1491 1 4 . 1 1 5 5 PRO C C 350 176.639 176.639 176.026 0.613 18297 1492 1 4 . 1 1 5 5 PRO CA C 350 62.748 62.748 63.314 -0.566 18297 1493 1 4 . 1 1 5 5 PRO CB C 350 32.319 32.319 31.981 0.338 18297 1494 1 4 . 1 1 6 6 GLN N N 351 121.707 121.707 124.859 -3.152 18297 1495 1 4 . 1 1 6 6 GLN HA H 351 4.428 4.428 4.618 -0.190 18297 1496 1 4 . 1 1 6 6 GLN C C 351 175.898 175.898 174.828 1.070 18297 1497 1 4 . 1 1 6 6 GLN CA C 351 55.678 55.678 54.458 1.220 18297 1498 1 4 . 1 1 6 6 GLN CB C 351 30.054 30.054 32.340 -2.287 18297 1499 1 4 . 1 1 6 6 GLN H H 351 8.255 8.255 8.789 -0.534 18297 1500 1 4 . 1 1 7 7 ASN N N 352 123.275 123.275 122.879 0.396 18297 1501 1 4 . 1 1 7 7 ASN HA H 352 5.470 5.470 5.644 -0.174 18297 1502 1 4 . 1 1 7 7 ASN C C 352 175.324 175.324 174.687 0.637 18297 1503 1 4 . 1 1 7 7 ASN CA C 352 54.009 54.009 52.195 1.814 18297 1504 1 4 . 1 1 7 7 ASN CB C 352 40.414 40.414 40.086 0.328 18297 1505 1 4 . 1 1 7 7 ASN H H 352 8.860 8.860 8.703 0.157 18297 1506 1 4 . 1 1 8 8 ILE N N 353 119.104 119.104 115.876 3.228 18297 1507 1 4 . 1 1 8 8 ILE HA H 353 4.625 4.625 4.690 -0.065 18297 1508 1 4 . 1 1 8 8 ILE C C 353 173.669 173.669 174.198 -0.529 18297 1509 1 4 . 1 1 8 8 ILE CA C 353 60.201 60.201 59.737 0.464 18297 1510 1 4 . 1 1 8 8 ILE CB C 353 41.404 41.404 42.111 -0.707 18297 1511 1 4 . 1 1 8 8 ILE H H 353 8.808 8.808 8.968 -0.160 18297 1512 1 4 . 1 1 9 9 GLN N N 354 122.671 122.671 122.521 0.150 18297 1513 1 4 . 1 1 9 9 GLN HA H 354 5.586 5.586 5.592 -0.006 18297 1514 1 4 . 1 1 9 9 GLN C C 354 174.274 174.274 174.012 0.262 18297 1515 1 4 . 1 1 9 9 GLN CA C 354 54.491 54.491 53.658 0.833 18297 1516 1 4 . 1 1 9 9 GLN CB C 354 31.120 31.120 31.503 -0.383 18297 1517 1 4 . 1 1 9 9 GLN H H 354 8.021 8.021 8.381 -0.360 18297 1518 1 4 . 1 1 10 10 PHE N N 355 120.679 120.679 123.292 -2.613 18297 1519 1 4 . 1 1 10 10 PHE HA H 355 4.635 4.635 4.775 -0.140 18297 1520 1 4 . 1 1 10 10 PHE C C 355 174.715 174.715 174.271 0.444 18297 1521 1 4 . 1 1 10 10 PHE CA C 355 57.226 57.226 56.864 0.362 18297 1522 1 4 . 1 1 10 10 PHE CB C 355 45.969 45.969 44.219 1.750 18297 1523 1 4 . 1 1 10 10 PHE H H 355 8.403 8.403 9.223 -0.820 18297 1524 1 4 . 1 1 11 11 SER N N 356 116.116 116.116 115.690 0.426 18297 1525 1 4 . 1 1 11 11 SER HA H 356 5.020 5.020 5.455 -0.435 18297 1526 1 4 . 1 1 11 11 SER C C 356 174.917 174.917 174.218 0.699 18297 1527 1 4 . 1 1 11 11 SER CA C 356 56.110 56.110 55.413 0.697 18297 1528 1 4 . 1 1 11 11 SER CB C 356 63.879 63.879 63.631 0.248 18297 1529 1 4 . 1 1 11 11 SER H H 356 8.757 8.757 8.525 0.232 18297 1530 1 4 . 1 1 12 12 PRO HA H 357 3.776 3.776 4.311 -0.535 18297 1531 1 4 . 1 1 12 12 PRO C C 357 176.155 176.155 177.737 -1.582 18297 1532 1 4 . 1 1 12 12 PRO CA C 357 64.886 64.886 65.164 -0.278 18297 1533 1 4 . 1 1 12 12 PRO CB C 357 31.222 31.222 31.503 -0.281 18297 1534 1 4 . 1 1 13 13 SER N N 358 107.859 107.859 111.473 -3.614 18297 1535 1 4 . 1 1 13 13 SER HA H 358 4.388 4.388 4.502 -0.114 18297 1536 1 4 . 1 1 13 13 SER C C 358 173.972 173.972 174.181 -0.209 18297 1537 1 4 . 1 1 13 13 SER CA C 358 57.728 57.728 58.524 -0.796 18297 1538 1 4 . 1 1 13 13 SER CB C 358 63.879 63.879 62.799 1.080 18297 1539 1 4 . 1 1 13 13 SER H H 358 7.636 7.636 8.148 -0.512 18297 1540 1 4 . 1 1 14 14 ALA N N 359 126.012 126.012 124.977 1.035 18297 1541 1 4 . 1 1 14 14 ALA HA H 359 4.320 4.320 4.682 -0.362 18297 1542 1 4 . 1 1 14 14 ALA C C 359 177.288 177.288 176.605 0.683 18297 1543 1 4 . 1 1 14 14 ALA CA C 359 52.849 52.849 51.804 1.045 18297 1544 1 4 . 1 1 14 14 ALA CB C 359 19.372 19.372 20.146 -0.774 18297 1545 1 4 . 1 1 14 14 ALA H H 359 7.937 7.937 7.938 -0.001 18297 1546 1 4 . 1 1 15 15 LYS N N 360 119.699 119.699 121.938 -2.239 18297 1547 1 4 . 1 1 15 15 LYS HA H 360 4.751 4.751 4.587 0.164 18297 1548 1 4 . 1 1 15 15 LYS C C 360 179.638 179.638 177.621 2.017 18297 1549 1 4 . 1 1 15 15 LYS CA C 360 54.815 54.815 54.805 0.010 18297 1550 1 4 . 1 1 15 15 LYS CB C 360 33.127 33.127 33.029 0.098 18297 1551 1 4 . 1 1 15 15 LYS H H 360 8.523 8.523 9.219 -0.696 18297 1552 1 4 . 1 1 16 16 LEU N N 361 123.297 123.297 124.259 -0.962 18297 1553 1 4 . 1 1 16 16 LEU HA H 361 3.828 3.828 3.954 -0.126 18297 1554 1 4 . 1 1 16 16 LEU C C 361 178.714 178.714 178.036 0.678 18297 1555 1 4 . 1 1 16 16 LEU CA C 361 58.321 58.321 58.262 0.059 18297 1556 1 4 . 1 1 16 16 LEU CB C 361 40.240 40.240 41.810 -1.570 18297 1557 1 4 . 1 1 16 16 LEU H H 361 8.383 8.383 8.878 -0.495 18297 1558 1 4 . 1 1 17 17 GLN N N 362 117.900 117.900 118.366 -0.466 18297 1559 1 4 . 1 1 17 17 GLN HA H 362 3.621 3.621 3.975 -0.354 18297 1560 1 4 . 1 1 17 17 GLN C C 362 176.370 176.370 178.236 -1.866 18297 1561 1 4 . 1 1 17 17 GLN CA C 362 58.547 58.547 59.532 -0.985 18297 1562 1 4 . 1 1 17 17 GLN CB C 362 29.442 29.442 28.489 0.952 18297 1563 1 4 . 1 1 17 17 GLN H H 362 8.766 8.766 8.127 0.639 18297 1564 1 4 . 1 1 18 18 GLU N N 363 116.341 116.341 119.820 -3.479 18297 1565 1 4 . 1 1 18 18 GLU HA H 363 4.201 4.201 4.112 0.089 18297 1566 1 4 . 1 1 18 18 GLU C C 363 180.135 180.135 179.187 0.948 18297 1567 1 4 . 1 1 18 18 GLU CA C 363 59.669 59.669 59.214 0.455 18297 1568 1 4 . 1 1 18 18 GLU CB C 363 29.870 29.870 29.343 0.527 18297 1569 1 4 . 1 1 18 18 GLU H H 363 7.783 7.783 7.613 0.170 18297 1570 1 4 . 1 1 19 19 VAL N N 364 120.647 120.647 120.512 0.135 18297 1571 1 4 . 1 1 19 19 VAL HA H 364 3.421 3.421 3.514 -0.093 18297 1572 1 4 . 1 1 19 19 VAL C C 364 177.380 177.380 178.213 -0.833 18297 1573 1 4 . 1 1 19 19 VAL CA C 364 65.433 65.433 66.108 -0.675 18297 1574 1 4 . 1 1 19 19 VAL CB C 364 30.964 30.964 31.112 -0.148 18297 1575 1 4 . 1 1 19 19 VAL H H 364 7.224 7.224 7.558 -0.334 18297 1576 1 4 . 1 1 20 20 LEU N N 365 120.743 120.743 119.235 1.508 18297 1577 1 4 . 1 1 20 20 LEU HA H 365 3.916 3.916 3.929 -0.013 18297 1578 1 4 . 1 1 20 20 LEU C C 365 178.974 178.974 178.749 0.225 18297 1579 1 4 . 1 1 20 20 LEU CA C 365 58.612 58.612 57.063 1.549 18297 1580 1 4 . 1 1 20 20 LEU CB C 365 41.425 41.425 40.282 1.143 18297 1581 1 4 . 1 1 20 20 LEU H H 365 7.517 7.517 7.411 0.106 18297 1582 1 4 . 1 1 21 21 ASP N N 366 119.329 119.329 119.961 -0.632 18297 1583 1 4 . 1 1 21 21 ASP HA H 366 4.306 4.306 4.309 -0.003 18297 1584 1 4 . 1 1 21 21 ASP C C 366 177.992 177.992 178.824 -0.832 18297 1585 1 4 . 1 1 21 21 ASP CA C 366 57.405 57.405 57.597 -0.192 18297 1586 1 4 . 1 1 21 21 ASP CB C 366 40.265 40.265 41.216 -0.951 18297 1587 1 4 . 1 1 21 21 ASP H H 366 8.805 8.805 8.239 0.566 18297 1588 1 4 . 1 1 22 22 TYR N N 367 121.643 121.643 119.687 1.956 18297 1589 1 4 . 1 1 22 22 TYR HA H 367 4.305 4.305 4.319 -0.014 18297 1590 1 4 . 1 1 22 22 TYR C C 367 177.701 177.701 176.955 0.746 18297 1591 1 4 . 1 1 22 22 TYR CA C 367 61.777 61.777 60.739 1.038 18297 1592 1 4 . 1 1 22 22 TYR CB C 367 38.801 38.801 38.854 -0.053 18297 1593 1 4 . 1 1 22 22 TYR H H 367 7.718 7.718 8.441 -0.723 18297 1594 1 4 . 1 1 23 23 LEU N N 368 118.414 118.414 119.270 -0.856 18297 1595 1 4 . 1 1 23 23 LEU HA H 368 3.910 3.910 4.073 -0.163 18297 1596 1 4 . 1 1 23 23 LEU C C 368 178.019 178.019 177.951 0.068 18297 1597 1 4 . 1 1 23 23 LEU CA C 368 57.773 57.773 57.650 0.123 18297 1598 1 4 . 1 1 23 23 LEU CB C 368 42.032 42.032 42.202 -0.170 18297 1599 1 4 . 1 1 23 23 LEU H H 368 8.060 8.060 7.720 0.340 18297 1600 1 4 . 1 1 24 24 THR N N 369 106.606 106.606 109.924 -3.318 18297 1601 1 4 . 1 1 24 24 THR HA H 369 4.507 4.507 4.304 0.203 18297 1602 1 4 . 1 1 24 24 THR C C 369 176.576 176.576 173.498 3.078 18297 1603 1 4 . 1 1 24 24 THR CA C 369 63.245 63.245 63.259 -0.014 18297 1604 1 4 . 1 1 24 24 THR CB C 369 70.517 70.517 69.916 0.601 18297 1605 1 4 . 1 1 24 24 THR H H 369 8.017 8.017 7.790 0.227 18297 1606 1 4 . 1 1 25 25 ASN N N 370 118.847 118.847 119.415 -0.568 18297 1607 1 4 . 1 1 25 25 ASN HA H 370 4.846 4.846 4.774 0.072 18297 1608 1 4 . 1 1 25 25 ASN C C 370 176.455 176.455 174.862 1.593 18297 1609 1 4 . 1 1 25 25 ASN CA C 370 53.944 53.944 52.261 1.683 18297 1610 1 4 . 1 1 25 25 ASN CB C 370 39.718 39.718 40.785 -1.067 18297 1611 1 4 . 1 1 25 25 ASN H H 370 8.149 8.149 8.364 -0.215 18297 1612 1 4 . 1 1 26 26 SER N N 371 116.888 116.888 120.045 -3.157 18297 1613 1 4 . 1 1 26 26 SER HA H 371 4.375 4.375 4.529 -0.154 18297 1614 1 4 . 1 1 26 26 SER C C 371 176.257 176.257 175.406 0.851 18297 1615 1 4 . 1 1 26 26 SER CA C 371 59.603 59.603 60.670 -1.067 18297 1616 1 4 . 1 1 26 26 SER CB C 371 63.792 63.792 63.540 0.252 18297 1617 1 4 . 1 1 26 26 SER H H 371 7.889 7.889 8.764 -0.875 18297 1618 1 4 . 1 1 27 27 ALA N N 372 128.743 128.743 123.453 5.290 18297 1619 1 4 . 1 1 27 27 ALA HA H 372 4.228 4.228 4.303 -0.075 18297 1620 1 4 . 1 1 27 27 ALA C C 372 178.538 178.538 179.602 -1.064 18297 1621 1 4 . 1 1 27 27 ALA CA C 372 54.491 54.491 54.204 0.287 18297 1622 1 4 . 1 1 27 27 ALA CB C 372 18.772 18.772 18.955 -0.183 18297 1623 1 4 . 1 1 27 27 ALA H H 372 8.836 8.836 7.875 0.961 18297 1624 1 4 . 1 1 28 28 SER N N 373 110.751 110.751 114.422 -3.671 18297 1625 1 4 . 1 1 28 28 SER HA H 373 4.426 4.426 4.393 0.033 18297 1626 1 4 . 1 1 28 28 SER C C 373 174.548 174.548 175.104 -0.556 18297 1627 1 4 . 1 1 28 28 SER CA C 373 59.415 59.415 60.486 -1.071 18297 1628 1 4 . 1 1 28 28 SER CB C 373 63.394 63.394 63.756 -0.362 18297 1629 1 4 . 1 1 28 28 SER H H 373 8.069 8.069 9.109 -1.040 18297 1630 1 4 . 1 1 29 29 LEU N N 374 122.012 122.012 121.237 0.775 18297 1631 1 4 . 1 1 29 29 LEU HA H 374 4.465 4.465 4.410 0.055 18297 1632 1 4 . 1 1 29 29 LEU C C 374 175.716 175.716 176.533 -0.817 18297 1633 1 4 . 1 1 29 29 LEU CA C 374 56.132 56.132 53.578 2.554 18297 1634 1 4 . 1 1 29 29 LEU CB C 374 44.295 44.295 41.811 2.484 18297 1635 1 4 . 1 1 29 29 LEU H H 374 7.547 7.547 7.711 -0.164 18297 1636 1 4 . 1 1 30 30 GLN N N 375 116.052 116.052 118.112 -2.060 18297 1637 1 4 . 1 1 30 30 GLN HA H 375 4.003 4.003 3.983 0.020 18297 1638 1 4 . 1 1 30 30 GLN C C 375 175.498 175.498 176.975 -1.477 18297 1639 1 4 . 1 1 30 30 GLN CA C 375 56.434 56.434 58.675 -2.241 18297 1640 1 4 . 1 1 30 30 GLN CB C 375 27.948 27.948 28.799 -0.851 18297 1641 1 4 . 1 1 30 30 GLN H H 375 8.060 8.060 7.438 0.622 18297 1642 1 4 . 1 1 31 31 MET N N 376 117.691 117.691 114.109 3.582 18297 1643 1 4 . 1 1 31 31 MET HA H 376 4.283 4.283 4.571 -0.288 18297 1644 1 4 . 1 1 31 31 MET C C 376 175.843 175.843 176.708 -0.865 18297 1645 1 4 . 1 1 31 31 MET CA C 376 57.728 57.728 56.284 1.444 18297 1646 1 4 . 1 1 31 31 MET CB C 376 33.451 33.451 33.415 0.036 18297 1647 1 4 . 1 1 31 31 MET H H 376 8.211 8.211 7.999 0.212 18297 1648 1 4 . 1 1 32 32 LYS N N 377 122.028 122.028 118.503 3.525 18297 1649 1 4 . 1 1 32 32 LYS HA H 377 4.414 4.414 4.319 0.095 18297 1650 1 4 . 1 1 32 32 LYS C C 377 177.837 177.837 176.380 1.457 18297 1651 1 4 . 1 1 32 32 LYS CA C 377 58.052 58.052 56.414 1.638 18297 1652 1 4 . 1 1 32 32 LYS CB C 377 34.994 34.994 32.311 2.683 18297 1653 1 4 . 1 1 32 32 LYS H H 377 9.461 9.461 8.023 1.438 18297 1654 1 4 . 1 1 33 33 SER N N 378 115.056 115.056 115.919 -0.863 18297 1655 1 4 . 1 1 33 33 SER HA H 378 4.650 4.650 4.374 0.276 18297 1656 1 4 . 1 1 33 33 SER C C 378 172.026 172.026 173.398 -1.372 18297 1657 1 4 . 1 1 33 33 SER CA C 378 55.038 55.038 56.072 -1.034 18297 1658 1 4 . 1 1 33 33 SER CB C 378 62.908 62.908 63.371 -0.463 18297 1659 1 4 . 1 1 33 33 SER H H 378 10.101 10.101 7.397 2.704 18297 1660 1 4 . 1 1 34 34 PRO HA H 379 5.043 5.043 4.516 0.527 18297 1661 1 4 . 1 1 34 34 PRO C C 379 175.422 175.422 175.266 0.156 18297 1662 1 4 . 1 1 34 34 PRO CA C 379 63.792 63.792 62.657 1.135 18297 1663 1 4 . 1 1 34 34 PRO CB C 379 33.703 33.703 32.776 0.927 18297 1664 1 4 . 1 1 35 35 ALA N N 380 121.498 121.498 122.868 -1.370 18297 1665 1 4 . 1 1 35 35 ALA HA H 380 5.137 5.137 5.010 0.127 18297 1666 1 4 . 1 1 35 35 ALA C C 380 177.313 177.313 175.856 1.457 18297 1667 1 4 . 1 1 35 35 ALA CA C 380 50.661 50.661 50.865 -0.204 18297 1668 1 4 . 1 1 35 35 ALA CB C 380 22.118 22.118 22.173 -0.055 18297 1669 1 4 . 1 1 35 35 ALA H H 380 8.894 8.894 8.254 0.640 18297 1670 1 4 . 1 1 36 36 ILE N N 381 120.470 120.470 124.148 -3.678 18297 1671 1 4 . 1 1 36 36 ILE HA H 381 4.967 4.967 4.740 0.227 18297 1672 1 4 . 1 1 36 36 ILE C C 381 175.314 175.314 175.538 -0.224 18297 1673 1 4 . 1 1 36 36 ILE CA C 381 61.056 61.056 60.314 0.742 18297 1674 1 4 . 1 1 36 36 ILE CB C 381 41.364 41.364 39.787 1.577 18297 1675 1 4 . 1 1 36 36 ILE H H 381 9.038 9.038 8.870 0.168 18297 1676 1 4 . 1 1 37 37 THR N N 382 123.297 123.297 123.788 -0.491 18297 1677 1 4 . 1 1 37 37 THR HA H 382 5.252 5.252 5.036 0.216 18297 1678 1 4 . 1 1 37 37 THR C C 382 172.289 172.289 172.649 -0.360 18297 1679 1 4 . 1 1 37 37 THR CA C 382 60.977 60.977 61.079 -0.102 18297 1680 1 4 . 1 1 37 37 THR CB C 382 71.919 71.919 71.241 0.678 18297 1681 1 4 . 1 1 37 37 THR H H 382 9.363 9.363 9.132 0.231 18297 1682 1 4 . 1 1 38 38 ALA N N 383 123.340 123.340 127.373 -4.033 18297 1683 1 4 . 1 1 38 38 ALA HA H 383 4.935 4.935 5.057 -0.122 18297 1684 1 4 . 1 1 38 38 ALA C C 383 175.743 175.743 175.595 0.148 18297 1685 1 4 . 1 1 38 38 ALA CA C 383 51.147 51.147 50.252 0.895 18297 1686 1 4 . 1 1 38 38 ALA CB C 383 22.758 22.758 22.610 0.147 18297 1687 1 4 . 1 1 38 38 ALA H H 383 8.896 8.896 9.245 -0.349 18297 1688 1 4 . 1 1 39 39 THR N N 384 118.815 118.815 115.500 3.315 18297 1689 1 4 . 1 1 39 39 THR HA H 384 4.892 4.892 5.345 -0.453 18297 1690 1 4 . 1 1 39 39 THR C C 384 174.098 174.098 174.105 -0.007 18297 1691 1 4 . 1 1 39 39 THR CA C 384 62.310 62.310 60.930 1.380 18297 1692 1 4 . 1 1 39 39 THR CB C 384 69.263 69.263 69.736 -0.473 18297 1693 1 4 . 1 1 39 39 THR H H 384 8.968 8.968 8.647 0.321 18297 1694 1 4 . 1 1 40 40 LEU N N 385 128.711 128.711 127.107 1.604 18297 1695 1 4 . 1 1 40 40 LEU HA H 385 4.791 4.791 4.713 0.078 18297 1696 1 4 . 1 1 40 40 LEU C C 385 176.479 176.479 175.826 0.653 18297 1697 1 4 . 1 1 40 40 LEU CA C 385 53.944 53.944 54.434 -0.490 18297 1698 1 4 . 1 1 40 40 LEU CB C 385 44.966 44.966 44.939 0.027 18297 1699 1 4 . 1 1 40 40 LEU H H 385 8.667 8.667 9.147 -0.480 18297 1700 1 4 . 1 1 41 41 GLU N N 386 124.470 124.470 125.990 -1.520 18297 1701 1 4 . 1 1 41 41 GLU HA H 386 3.936 3.936 3.920 0.016 18297 1702 1 4 . 1 1 41 41 GLU C C 386 176.878 176.878 176.301 0.577 18297 1703 1 4 . 1 1 41 41 GLU CA C 386 57.226 57.226 56.690 0.536 18297 1704 1 4 . 1 1 41 41 GLU CB C 386 27.735 27.735 28.328 -0.593 18297 1705 1 4 . 1 1 41 41 GLU H H 386 9.547 9.547 9.317 0.230 18297 1706 1 4 . 1 1 42 42 GLY N N 387 104.068 104.068 103.304 0.764 18297 1707 1 4 . 1 1 42 42 GLY C C 387 173.993 173.993 174.013 -0.020 18297 1708 1 4 . 1 1 42 42 GLY CA C 387 45.596 45.596 45.097 0.499 18297 1709 1 4 . 1 1 42 42 GLY H H 387 8.578 8.578 8.254 0.324 18297 1710 1 4 . 1 1 43 43 LYS N N 388 120.422 120.422 121.785 -1.363 18297 1711 1 4 . 1 1 43 43 LYS HA H 388 4.701 4.701 4.578 0.123 18297 1712 1 4 . 1 1 43 43 LYS C C 388 175.054 175.054 175.020 0.034 18297 1713 1 4 . 1 1 43 43 LYS CA C 388 54.491 54.491 54.146 0.345 18297 1714 1 4 . 1 1 43 43 LYS CB C 388 34.968 34.968 34.397 0.571 18297 1715 1 4 . 1 1 43 43 LYS H H 388 7.826 7.826 7.738 0.088 18297 1716 1 4 . 1 1 44 44 ASN N N 389 122.606 122.606 122.696 -0.090 18297 1717 1 4 . 1 1 44 44 ASN HA H 389 4.895 4.895 5.039 -0.144 18297 1718 1 4 . 1 1 44 44 ASN C C 389 174.905 174.905 174.835 0.070 18297 1719 1 4 . 1 1 44 44 ASN CA C 389 53.944 53.944 53.381 0.563 18297 1720 1 4 . 1 1 44 44 ASN CB C 389 39.229 39.229 38.915 0.314 18297 1721 1 4 . 1 1 44 44 ASN H H 389 8.827 8.827 8.750 0.077 18297 1722 1 4 . 1 1 45 45 ARG N N 390 125.867 125.867 126.332 -0.465 18297 1723 1 4 . 1 1 45 45 ARG HA H 390 4.756 4.756 4.703 0.053 18297 1724 1 4 . 1 1 45 45 ARG C C 390 175.224 175.224 175.060 0.164 18297 1725 1 4 . 1 1 45 45 ARG CA C 390 54.491 54.491 54.496 -0.005 18297 1726 1 4 . 1 1 45 45 ARG CB C 390 32.973 32.973 32.965 0.008 18297 1727 1 4 . 1 1 45 45 ARG H H 390 9.220 9.220 9.165 0.055 18297 1728 1 4 . 1 1 46 46 THR N N 391 122.574 122.574 123.527 -0.953 18297 1729 1 4 . 1 1 46 46 THR HA H 391 4.289 4.289 4.319 -0.030 18297 1730 1 4 . 1 1 46 46 THR C C 391 174.010 174.010 174.197 -0.187 18297 1731 1 4 . 1 1 46 46 THR CA C 391 63.509 63.509 63.497 0.012 18297 1732 1 4 . 1 1 46 46 THR CB C 391 68.716 68.716 69.256 -0.540 18297 1733 1 4 . 1 1 46 46 THR H H 391 8.940 8.940 8.755 0.185 18297 1734 1 4 . 1 1 47 47 LEU N N 392 128.647 128.647 126.973 1.674 18297 1735 1 4 . 1 1 47 47 LEU HA H 392 4.339 4.339 4.339 0.000 18297 1736 1 4 . 1 1 47 47 LEU C C 392 176.670 176.670 176.768 -0.098 18297 1737 1 4 . 1 1 47 47 LEU CA C 392 56.132 56.132 56.329 -0.197 18297 1738 1 4 . 1 1 47 47 LEU CB C 392 42.678 42.678 43.105 -0.427 18297 1739 1 4 . 1 1 47 47 LEU H H 392 9.096 9.096 8.905 0.191 18297 1740 1 4 . 1 1 48 48 TYR N N 393 113.514 113.514 119.944 -6.430 18297 1741 1 4 . 1 1 48 48 TYR HA H 393 4.618 4.618 4.585 0.033 18297 1742 1 4 . 1 1 48 48 TYR C C 393 173.455 173.455 173.980 -0.525 18297 1743 1 4 . 1 1 48 48 TYR CA C 393 59.415 59.415 56.295 3.120 18297 1744 1 4 . 1 1 48 48 TYR CB C 393 41.384 41.384 39.023 2.361 18297 1745 1 4 . 1 1 48 48 TYR H H 393 7.562 7.562 7.936 -0.374 18297 1746 1 4 . 1 1 57 57 GLU N N 402 128.181 128.181 118.945 9.236 18297 1747 1 4 . 1 1 57 57 GLU H H 402 8.645 8.645 8.678 -0.033 18297 1748 1 4 . 1 1 58 58 ARG N N 403 117.080 117.080 122.029 -4.949 18297 1749 1 4 . 1 1 58 58 ARG HA H 403 4.302 4.302 4.227 0.075 18297 1750 1 4 . 1 1 58 58 ARG CA C 403 58.321 58.321 56.528 1.793 18297 1751 1 4 . 1 1 58 58 ARG CB C 403 31.165 31.165 30.078 1.087 18297 1752 1 4 . 1 1 58 58 ARG H H 403 8.278 8.278 8.559 -0.281 18297 1753 1 4 . 1 1 59 59 THR N N 404 108.390 108.390 119.616 -11.226 18297 1754 1 4 . 1 1 59 59 THR HA H 404 4.932 4.932 4.243 0.689 18297 1755 1 4 . 1 1 59 59 THR H H 404 8.301 8.301 8.283 0.018 18297 1756 1 4 . 1 1 60 60 ARG N N 405 126.639 126.639 120.844 5.795 18297 1757 1 4 . 1 1 60 60 ARG H H 405 8.549 8.549 7.807 0.742 18297 1758 1 4 . 1 1 61 61 PRO HA H 406 4.431 4.431 4.381 0.050 18297 1759 1 4 . 1 1 61 61 PRO C C 406 178.434 178.434 177.635 0.799 18297 1760 1 4 . 1 1 61 61 PRO CA C 406 65.980 65.980 64.522 1.458 18297 1761 1 4 . 1 1 61 61 PRO CB C 406 31.348 31.348 32.244 -0.896 18297 1762 1 4 . 1 1 62 62 ASN N N 407 114.574 114.574 118.032 -3.458 18297 1763 1 4 . 1 1 62 62 ASN HA H 407 4.390 4.390 4.424 -0.034 18297 1764 1 4 . 1 1 62 62 ASN C C 407 177.863 177.863 177.328 0.535 18297 1765 1 4 . 1 1 62 62 ASN CA C 407 55.308 55.308 55.756 -0.448 18297 1766 1 4 . 1 1 62 62 ASN CB C 407 37.530 37.530 37.395 0.135 18297 1767 1 4 . 1 1 62 62 ASN H H 407 8.481 8.481 8.747 -0.266 18297 1768 1 4 . 1 1 63 63 LEU N N 408 115.667 115.667 114.119 1.548 18297 1769 1 4 . 1 1 63 63 LEU HA H 408 3.861 3.861 4.370 -0.509 18297 1770 1 4 . 1 1 63 63 LEU C C 408 177.708 177.708 178.233 -0.525 18297 1771 1 4 . 1 1 63 63 LEU CA C 408 57.667 57.667 57.129 0.538 18297 1772 1 4 . 1 1 63 63 LEU CB C 408 41.706 41.706 41.044 0.662 18297 1773 1 4 . 1 1 63 63 LEU H H 408 8.022 8.022 7.812 0.210 18297 1774 1 4 . 1 1 64 64 SER N N 409 109.209 109.209 114.864 -5.655 18297 1775 1 4 . 1 1 64 64 SER HA H 409 4.588 4.588 4.428 0.160 18297 1776 1 4 . 1 1 64 64 SER C C 409 173.870 173.870 174.340 -0.470 18297 1777 1 4 . 1 1 64 64 SER CA C 409 58.321 58.321 58.967 -0.646 18297 1778 1 4 . 1 1 64 64 SER CB C 409 63.855 63.855 63.292 0.563 18297 1779 1 4 . 1 1 64 64 SER H H 409 7.232 7.232 7.696 -0.464 18297 1780 1 4 . 1 1 65 65 LYS N N 410 122.735 122.735 121.383 1.352 18297 1781 1 4 . 1 1 65 65 LYS HA H 410 4.609 4.609 4.526 0.083 18297 1782 1 4 . 1 1 65 65 LYS C C 410 175.946 175.946 175.713 0.233 18297 1783 1 4 . 1 1 65 65 LYS CA C 410 55.463 55.463 54.780 0.683 18297 1784 1 4 . 1 1 65 65 LYS CB C 410 34.422 34.422 33.637 0.785 18297 1785 1 4 . 1 1 65 65 LYS H H 410 7.543 7.543 7.219 0.324 18297 1786 1 4 . 1 1 66 66 THR N N 411 110.944 110.944 110.920 0.024 18297 1787 1 4 . 1 1 66 66 THR HA H 411 5.003 5.003 4.943 0.060 18297 1788 1 4 . 1 1 66 66 THR C C 411 176.038 176.038 176.409 -0.371 18297 1789 1 4 . 1 1 66 66 THR CA C 411 60.221 60.221 60.371 -0.150 18297 1790 1 4 . 1 1 66 66 THR CB C 411 70.956 70.956 71.109 -0.153 18297 1791 1 4 . 1 1 66 66 THR H H 411 8.980 8.980 8.078 0.902 18297 1792 1 4 . 1 1 67 67 LEU N N 412 118.076 118.076 121.112 -3.036 18297 1793 1 4 . 1 1 67 67 LEU HA H 412 3.961 3.961 3.986 -0.025 18297 1794 1 4 . 1 1 67 67 LEU C C 412 179.227 179.227 178.595 0.632 18297 1795 1 4 . 1 1 67 67 LEU CA C 412 58.321 58.321 58.596 -0.275 18297 1796 1 4 . 1 1 67 67 LEU CB C 412 39.914 39.914 41.544 -1.630 18297 1797 1 4 . 1 1 67 67 LEU H H 412 8.434 8.434 8.492 -0.058 18297 1798 1 4 . 1 1 68 68 LYS N N 413 116.373 116.373 119.739 -3.366 18297 1799 1 4 . 1 1 68 68 LYS HA H 413 4.285 4.285 3.837 0.448 18297 1800 1 4 . 1 1 68 68 LYS C C 413 181.338 181.338 179.573 1.765 18297 1801 1 4 . 1 1 68 68 LYS CA C 413 58.868 58.868 59.344 -0.476 18297 1802 1 4 . 1 1 68 68 LYS CB C 413 32.606 32.606 32.151 0.455 18297 1803 1 4 . 1 1 68 68 LYS H H 413 8.171 8.171 7.608 0.563 18297 1804 1 4 . 1 1 69 69 GLU N N 414 123.731 123.731 119.202 4.529 18297 1805 1 4 . 1 1 69 69 GLU HA H 414 4.072 4.072 4.062 0.010 18297 1806 1 4 . 1 1 69 69 GLU C C 414 179.202 179.202 178.154 1.048 18297 1807 1 4 . 1 1 69 69 GLU CA C 414 58.868 58.868 58.610 0.258 18297 1808 1 4 . 1 1 69 69 GLU CB C 414 29.566 29.566 29.434 0.132 18297 1809 1 4 . 1 1 69 69 GLU H H 414 8.326 8.326 7.799 0.527 18297 1810 1 4 . 1 1 70 70 LEU N N 415 119.008 119.008 115.952 3.056 18297 1811 1 4 . 1 1 70 70 LEU HA H 415 4.218 4.218 4.179 0.039 18297 1812 1 4 . 1 1 70 70 LEU C C 415 176.505 176.505 177.244 -0.739 18297 1813 1 4 . 1 1 70 70 LEU CA C 415 55.822 55.822 54.962 0.860 18297 1814 1 4 . 1 1 70 70 LEU CB C 415 43.012 43.012 42.320 0.692 18297 1815 1 4 . 1 1 70 70 LEU H H 415 7.993 7.993 7.619 0.374 18297 1816 1 4 . 1 1 71 71 GLY N N 416 105.578 105.578 105.522 0.056 18297 1817 1 4 . 1 1 71 71 GLY C C 416 174.505 174.505 174.560 -0.055 18297 1818 1 4 . 1 1 71 71 GLY CA C 416 45.191 45.191 45.224 -0.033 18297 1819 1 4 . 1 1 71 71 GLY H H 416 7.880 7.880 7.447 0.433 18297 1820 1 4 . 1 1 72 72 LEU N N 417 119.201 119.201 121.907 -2.706 18297 1821 1 4 . 1 1 72 72 LEU HA H 417 4.599 4.599 4.669 -0.070 18297 1822 1 4 . 1 1 72 72 LEU C C 417 176.208 176.208 175.563 0.645 18297 1823 1 4 . 1 1 72 72 LEU CA C 417 54.815 54.815 55.154 -0.339 18297 1824 1 4 . 1 1 72 72 LEU CB C 417 41.867 41.867 43.390 -1.523 18297 1825 1 4 . 1 1 72 72 LEU H H 417 7.466 7.466 7.559 -0.093 18297 1826 1 4 . 1 1 73 73 VAL N N 418 112.871 112.871 122.438 -9.567 18297 1827 1 4 . 1 1 73 73 VAL HA H 418 4.782 4.782 4.556 0.226 18297 1828 1 4 . 1 1 73 73 VAL C C 418 174.804 174.804 174.777 0.027 18297 1829 1 4 . 1 1 73 73 VAL CA C 418 59.070 59.070 58.851 0.219 18297 1830 1 4 . 1 1 73 73 VAL CB C 418 35.557 35.557 35.876 -0.319 18297 1831 1 4 . 1 1 73 73 VAL H H 418 8.003 8.003 8.167 -0.164 18297 1832 1 4 . 1 1 74 74 ASP N N 419 119.972 119.972 122.353 -2.381 18297 1833 1 4 . 1 1 74 74 ASP HA H 419 3.593 3.593 4.705 -1.112 18297 1834 1 4 . 1 1 74 74 ASP C C 419 177.545 177.545 176.936 0.609 18297 1835 1 4 . 1 1 74 74 ASP CA C 419 56.419 56.419 55.129 1.290 18297 1836 1 4 . 1 1 74 74 ASP CB C 419 42.035 42.035 40.865 1.170 18297 1837 1 4 . 1 1 74 74 ASP H H 419 8.250 8.250 8.648 -0.398 18297 1838 1 4 . 1 1 75 75 GLY N N 420 116.020 116.020 111.493 4.527 18297 1839 1 4 . 1 1 75 75 GLY C C 420 173.763 173.763 174.267 -0.504 18297 1840 1 4 . 1 1 75 75 GLY CA C 420 45.354 45.354 44.828 0.526 18297 1841 1 4 . 1 1 75 75 GLY H H 420 8.704 8.704 8.635 0.069 18297 1842 1 4 . 1 1 76 76 GLN N N 421 121.514 121.514 121.091 0.423 18297 1843 1 4 . 1 1 76 76 GLN HA H 421 4.048 4.048 4.371 -0.323 18297 1844 1 4 . 1 1 76 76 GLN C C 421 175.023 175.023 175.305 -0.282 18297 1845 1 4 . 1 1 76 76 GLN CA C 421 56.709 56.709 54.733 1.976 18297 1846 1 4 . 1 1 76 76 GLN CB C 421 29.511 29.511 29.525 -0.014 18297 1847 1 4 . 1 1 76 76 GLN H H 421 7.867 7.867 7.581 0.286 18297 1848 1 4 . 1 1 77 77 GLU N N 422 123.859 123.859 121.983 1.876 18297 1849 1 4 . 1 1 77 77 GLU HA H 422 5.186 5.186 5.455 -0.269 18297 1850 1 4 . 1 1 77 77 GLU C C 422 176.877 176.877 176.268 0.609 18297 1851 1 4 . 1 1 77 77 GLU CA C 422 55.786 55.786 55.579 0.207 18297 1852 1 4 . 1 1 77 77 GLU CB C 422 31.509 31.509 30.707 0.802 18297 1853 1 4 . 1 1 77 77 GLU H H 422 8.568 8.568 8.560 0.008 18297 1854 1 4 . 1 1 78 78 LEU N N 423 125.867 125.867 123.308 2.559 18297 1855 1 4 . 1 1 78 78 LEU HA H 423 5.080 5.080 4.621 0.459 18297 1856 1 4 . 1 1 78 78 LEU C C 423 174.470 174.470 176.091 -1.621 18297 1857 1 4 . 1 1 78 78 LEU CA C 423 53.686 53.686 53.134 0.552 18297 1858 1 4 . 1 1 78 78 LEU CB C 423 44.966 44.966 43.165 1.801 18297 1859 1 4 . 1 1 78 78 LEU H H 423 9.313 9.313 9.028 0.285 18297 1860 1 4 . 1 1 79 79 ALA N N 424 126.044 126.044 126.702 -0.658 18297 1861 1 4 . 1 1 79 79 ALA HA H 424 5.206 5.206 4.830 0.376 18297 1862 1 4 . 1 1 79 79 ALA C C 424 176.786 176.786 175.214 1.572 18297 1863 1 4 . 1 1 79 79 ALA CA C 424 51.049 51.049 50.648 0.401 18297 1864 1 4 . 1 1 79 79 ALA CB C 424 20.453 20.453 20.876 -0.423 18297 1865 1 4 . 1 1 79 79 ALA H H 424 8.918 8.918 9.296 -0.378 18297 1866 1 4 . 1 1 80 80 VAL N N 425 124.759 124.759 125.403 -0.644 18297 1867 1 4 . 1 1 80 80 VAL HA H 425 5.344 5.344 5.090 0.254 18297 1868 1 4 . 1 1 80 80 VAL C C 425 173.757 173.757 173.566 0.191 18297 1869 1 4 . 1 1 80 80 VAL CA C 425 60.886 60.886 60.062 0.824 18297 1870 1 4 . 1 1 80 80 VAL CB C 425 34.908 34.908 36.423 -1.515 18297 1871 1 4 . 1 1 80 80 VAL H H 425 9.357 9.357 8.619 0.738 18297 1872 1 4 . 1 1 81 81 ALA N N 426 129.353 129.353 130.514 -1.161 18297 1873 1 4 . 1 1 81 81 ALA HA H 426 5.045 5.045 4.730 0.315 18297 1874 1 4 . 1 1 81 81 ALA C C 426 175.938 175.938 174.996 0.942 18297 1875 1 4 . 1 1 81 81 ALA CA C 426 50.133 50.133 50.294 -0.161 18297 1876 1 4 . 1 1 81 81 ALA CB C 426 22.758 22.758 22.001 0.757 18297 1877 1 4 . 1 1 81 81 ALA H H 426 8.502 8.502 8.543 -0.041 18297 1878 1 4 . 1 1 82 82 ASP N N 427 120.165 120.165 121.312 -1.147 18297 1879 1 4 . 1 1 82 82 ASP HA H 427 5.100 5.100 4.963 0.137 18297 1880 1 4 . 1 1 82 82 ASP C C 427 176.669 176.669 176.757 -0.088 18297 1881 1 4 . 1 1 82 82 ASP CA C 427 54.491 54.491 52.498 1.993 18297 1882 1 4 . 1 1 82 82 ASP CB C 427 46.891 46.891 44.468 2.423 18297 1883 1 4 . 1 1 82 82 ASP H H 427 8.906 8.906 8.052 0.854 18297 1884 1 4 . 1 1 83 83 VAL N N 428 119.201 119.201 116.213 2.988 18297 1885 1 4 . 1 1 83 83 VAL HA H 428 4.153 4.153 4.233 -0.080 18297 1886 1 4 . 1 1 83 83 VAL C C 428 177.085 177.085 176.546 0.539 18297 1887 1 4 . 1 1 83 83 VAL CA C 428 63.992 63.992 64.506 -0.514 18297 1888 1 4 . 1 1 83 83 VAL CB C 428 31.772 31.772 31.618 0.154 18297 1889 1 4 . 1 1 83 83 VAL H H 428 8.114 8.114 8.615 -0.501 18297 1890 1 4 . 1 1 84 84 THR N N 429 110.173 110.173 112.316 -2.143 18297 1891 1 4 . 1 1 84 84 THR HA H 429 4.235 4.235 4.506 -0.271 18297 1892 1 4 . 1 1 84 84 THR C C 429 174.905 174.905 174.943 -0.038 18297 1893 1 4 . 1 1 84 84 THR CA C 429 63.533 63.533 62.664 0.869 18297 1894 1 4 . 1 1 84 84 THR CB C 429 70.613 70.613 69.527 1.086 18297 1895 1 4 . 1 1 84 84 THR H H 429 7.899 7.899 8.716 -0.817 18297 1896 1 4 . 1 1 85 85 THR N N 430 116.438 116.438 115.474 0.964 18297 1897 1 4 . 1 1 85 85 THR HA H 430 5.132 5.132 4.906 0.226 18297 1898 1 4 . 1 1 85 85 THR C C 430 173.160 173.160 173.011 0.149 18297 1899 1 4 . 1 1 85 85 THR CA C 430 57.863 57.863 58.615 -0.753 18297 1900 1 4 . 1 1 85 85 THR CB C 430 71.050 71.050 70.735 0.315 18297 1901 1 4 . 1 1 85 85 THR H H 430 7.810 7.810 8.239 -0.429 18297 1902 1 4 . 1 1 86 86 PRO HA H 431 4.582 4.582 4.444 0.138 18297 1903 1 4 . 1 1 86 86 PRO CA C 431 64.086 64.086 63.664 0.422 18297 1904 1 4 . 1 1 86 86 PRO CB C 431 31.995 31.995 32.313 -0.318 18297 1905 1 4 . 1 1 87 87 GLN N N 432 117.241 117.241 119.843 -2.602 18297 1906 1 4 . 1 1 87 87 GLN HA H 432 4.618 4.618 4.270 0.348 18297 1907 1 4 . 1 1 87 87 GLN C C 432 175.653 175.653 175.629 0.024 18297 1908 1 4 . 1 1 87 87 GLN CA C 432 54.491 54.491 55.222 -0.731 18297 1909 1 4 . 1 1 87 87 GLN CB C 432 30.799 30.799 28.944 1.855 18297 1910 1 4 . 1 1 87 87 GLN H H 432 7.786 7.786 7.763 0.023 18297 1911 1 4 . 1 1 88 88 THR N N 433 119.651 119.651 113.105 6.546 18297 1912 1 4 . 1 1 88 88 THR HA H 433 4.440 4.440 4.662 -0.222 18297 1913 1 4 . 1 1 88 88 THR C C 433 173.939 173.939 174.200 -0.261 18297 1914 1 4 . 1 1 88 88 THR CA C 433 63.792 63.792 61.071 2.721 18297 1915 1 4 . 1 1 88 88 THR CB C 433 70.357 70.357 69.915 0.442 18297 1916 1 4 . 1 1 88 88 THR H H 433 8.460 8.460 8.186 0.274 18297 1917 1 4 . 1 1 89 89 VAL N N 434 128.068 128.068 125.547 2.521 18297 1918 1 4 . 1 1 89 89 VAL HA H 434 4.153 4.153 4.229 -0.075 18297 1919 1 4 . 1 1 89 89 VAL C C 434 174.083 174.083 174.509 -0.426 18297 1920 1 4 . 1 1 89 89 VAL CA C 434 61.827 61.827 61.115 0.712 18297 1921 1 4 . 1 1 89 89 VAL CB C 434 33.937 33.937 33.316 0.621 18297 1922 1 4 . 1 1 89 89 VAL H H 434 9.275 9.275 8.238 1.037 18297 1923 1 4 . 1 1 90 90 LEU N N 435 125.755 125.755 124.969 0.786 18297 1924 1 4 . 1 1 90 90 LEU HA H 435 5.304 5.304 5.295 0.009 18297 1925 1 4 . 1 1 90 90 LEU C C 435 176.455 176.455 176.267 0.188 18297 1926 1 4 . 1 1 90 90 LEU CA C 435 53.396 53.396 53.325 0.071 18297 1927 1 4 . 1 1 90 90 LEU CB C 435 44.023 44.023 43.695 0.328 18297 1928 1 4 . 1 1 90 90 LEU H H 435 8.169 8.169 7.794 0.375 18297 1929 1 4 . 1 1 91 91 PHE N N 436 120.743 120.743 121.353 -0.610 18297 1930 1 4 . 1 1 91 91 PHE HA H 436 5.314 5.314 5.403 -0.089 18297 1931 1 4 . 1 1 91 91 PHE C C 436 174.788 174.788 175.264 -0.476 18297 1932 1 4 . 1 1 91 91 PHE CA C 436 56.327 56.327 55.998 0.329 18297 1933 1 4 . 1 1 91 91 PHE CB C 436 43.330 43.330 42.970 0.360 18297 1934 1 4 . 1 1 91 91 PHE H H 436 9.222 9.222 9.161 0.061 18297 1935 1 4 . 1 1 92 92 LYS N N 437 123.120 123.120 122.341 0.779 18297 1936 1 4 . 1 1 92 92 LYS HA H 437 4.708 4.708 5.110 -0.402 18297 1937 1 4 . 1 1 92 92 LYS C C 437 174.606 174.606 174.756 -0.150 18297 1938 1 4 . 1 1 92 92 LYS CA C 437 55.139 55.139 55.263 -0.124 18297 1939 1 4 . 1 1 92 92 LYS CB C 437 34.269 34.269 35.011 -0.742 18297 1940 1 4 . 1 1 92 92 LYS H H 437 8.908 8.908 9.374 -0.466 18297 1941 1 4 . 1 1 93 93 LEU N N 438 128.422 128.422 126.914 1.508 18297 1942 1 4 . 1 1 93 93 LEU HA H 438 4.480 4.480 4.962 -0.482 18297 1943 1 4 . 1 1 93 93 LEU C C 438 175.327 175.327 174.716 0.611 18297 1944 1 4 . 1 1 93 93 LEU CA C 438 55.139 55.139 53.280 1.859 18297 1945 1 4 . 1 1 93 93 LEU CB C 438 43.976 43.976 43.487 0.489 18297 1946 1 4 . 1 1 93 93 LEU H H 438 8.755 8.755 8.094 0.661 18297 1947 1 4 . 1 1 94 94 HIS N N 439 123.859 123.859 126.558 -2.699 18297 1948 1 4 . 1 1 94 94 HIS HA H 439 5.180 5.180 4.815 0.365 18297 1949 1 4 . 1 1 94 94 HIS C C 439 174.297 174.297 173.625 0.672 18297 1950 1 4 . 1 1 94 94 HIS CA C 439 53.396 53.396 54.161 -0.765 18297 1951 1 4 . 1 1 94 94 HIS CB C 439 30.786 30.786 32.954 -2.168 18297 1952 1 4 . 1 1 94 94 HIS H H 439 8.891 8.891 9.181 -0.290 18297 1953 1 4 . 1 1 95 95 PHE N N 440 123.544 123.544 124.424 -0.880 18297 1954 1 4 . 1 1 95 95 PHE HA H 440 6.231 6.231 5.699 0.532 18297 1955 1 4 . 1 1 95 95 PHE C C 440 178.229 178.229 176.751 1.478 18297 1956 1 4 . 1 1 95 95 PHE CA C 440 53.690 53.690 57.026 -3.336 18297 1957 1 4 . 1 1 95 95 PHE CB C 440 39.477 39.477 39.868 -0.391 18297 1958 1 4 . 1 1 95 95 PHE H H 440 8.896 8.896 8.877 0.019 18297 1959 1 4 . 1 1 96 96 THR N N 441 114.382 114.382 118.528 -4.146 18297 1960 1 4 . 1 1 96 96 THR HA H 441 4.617 4.617 4.700 -0.083 18297 1961 1 4 . 1 1 96 96 THR C C 441 173.867 173.867 174.215 -0.348 18297 1962 1 4 . 1 1 96 96 THR CA C 441 61.327 61.327 61.041 0.286 18297 1963 1 4 . 1 1 96 96 THR CB C 441 69.561 69.561 70.414 -0.853 18297 1964 1 4 . 1 1 96 96 THR H H 441 7.973 7.973 8.698 -0.725 18297 1965 1 5 . 1 1 2 2 SER HA H 347 4.570 4.570 4.718 -0.148 18297 1966 1 5 . 1 1 2 2 SER C C 347 174.335 174.335 174.900 -0.565 18297 1967 1 5 . 1 1 2 2 SER CA C 347 58.350 58.350 57.741 0.609 18297 1968 1 5 . 1 1 2 2 SER CB C 347 63.999 63.999 64.878 -0.879 18297 1969 1 5 . 1 1 3 3 GLN N N 348 122.478 122.478 120.682 1.796 18297 1970 1 5 . 1 1 3 3 GLN HA H 348 4.430 4.430 4.434 -0.004 18297 1971 1 5 . 1 1 3 3 GLN C C 348 175.651 175.651 175.917 -0.266 18297 1972 1 5 . 1 1 3 3 GLN CA C 348 55.743 55.743 55.739 0.004 18297 1973 1 5 . 1 1 3 3 GLN CB C 348 29.750 29.750 29.047 0.703 18297 1974 1 5 . 1 1 3 3 GLN H H 348 8.532 8.532 8.548 -0.016 18297 1975 1 5 . 1 1 4 4 LEU N N 349 125.369 125.369 122.306 3.063 18297 1976 1 5 . 1 1 4 4 LEU HA H 349 4.634 4.634 4.587 0.047 18297 1977 1 5 . 1 1 4 4 LEU C C 349 175.324 175.324 175.263 0.061 18297 1978 1 5 . 1 1 4 4 LEU CA C 349 53.197 53.197 52.890 0.307 18297 1979 1 5 . 1 1 4 4 LEU CB C 349 41.867 41.867 41.486 0.381 18297 1980 1 5 . 1 1 4 4 LEU H H 349 8.403 8.403 7.539 0.864 18297 1981 1 5 . 1 1 5 5 PRO HA H 350 4.360 4.360 4.452 -0.092 18297 1982 1 5 . 1 1 5 5 PRO C C 350 176.639 176.639 175.838 0.801 18297 1983 1 5 . 1 1 5 5 PRO CA C 350 62.748 62.748 62.553 0.195 18297 1984 1 5 . 1 1 5 5 PRO CB C 350 32.319 32.319 32.139 0.180 18297 1985 1 5 . 1 1 6 6 GLN N N 351 121.707 121.707 121.514 0.193 18297 1986 1 5 . 1 1 6 6 GLN HA H 351 4.428 4.428 4.257 0.171 18297 1987 1 5 . 1 1 6 6 GLN C C 351 175.898 175.898 175.460 0.438 18297 1988 1 5 . 1 1 6 6 GLN CA C 351 55.678 55.678 54.476 1.202 18297 1989 1 5 . 1 1 6 6 GLN CB C 351 30.054 30.054 29.285 0.769 18297 1990 1 5 . 1 1 6 6 GLN H H 351 8.255 8.255 8.529 -0.274 18297 1991 1 5 . 1 1 7 7 ASN N N 352 123.275 123.275 120.390 2.885 18297 1992 1 5 . 1 1 7 7 ASN HA H 352 5.470 5.470 5.663 -0.193 18297 1993 1 5 . 1 1 7 7 ASN C C 352 175.324 175.324 174.569 0.755 18297 1994 1 5 . 1 1 7 7 ASN CA C 352 54.009 54.009 52.049 1.960 18297 1995 1 5 . 1 1 7 7 ASN CB C 352 40.414 40.414 40.651 -0.237 18297 1996 1 5 . 1 1 7 7 ASN H H 352 8.860 8.860 8.548 0.312 18297 1997 1 5 . 1 1 8 8 ILE N N 353 119.104 119.104 116.185 2.919 18297 1998 1 5 . 1 1 8 8 ILE HA H 353 4.625 4.625 4.650 -0.025 18297 1999 1 5 . 1 1 8 8 ILE C C 353 173.669 173.669 173.864 -0.195 18297 2000 1 5 . 1 1 8 8 ILE CA C 353 60.201 60.201 59.804 0.397 18297 2001 1 5 . 1 1 8 8 ILE CB C 353 41.404 41.404 41.716 -0.312 18297 2002 1 5 . 1 1 8 8 ILE H H 353 8.808 8.808 8.889 -0.081 18297 2003 1 5 . 1 1 9 9 GLN N N 354 122.671 122.671 125.753 -3.082 18297 2004 1 5 . 1 1 9 9 GLN HA H 354 5.586 5.586 5.291 0.295 18297 2005 1 5 . 1 1 9 9 GLN C C 354 174.274 174.274 174.216 0.058 18297 2006 1 5 . 1 1 9 9 GLN CA C 354 54.491 54.491 54.713 -0.222 18297 2007 1 5 . 1 1 9 9 GLN CB C 354 31.120 31.120 30.642 0.478 18297 2008 1 5 . 1 1 9 9 GLN H H 354 8.021 8.021 8.376 -0.355 18297 2009 1 5 . 1 1 10 10 PHE N N 355 120.679 120.679 125.598 -4.919 18297 2010 1 5 . 1 1 10 10 PHE HA H 355 4.635 4.635 4.699 -0.064 18297 2011 1 5 . 1 1 10 10 PHE C C 355 174.715 174.715 174.373 0.342 18297 2012 1 5 . 1 1 10 10 PHE CA C 355 57.226 57.226 56.584 0.642 18297 2013 1 5 . 1 1 10 10 PHE CB C 355 45.969 45.969 43.620 2.349 18297 2014 1 5 . 1 1 10 10 PHE H H 355 8.403 8.403 9.293 -0.890 18297 2015 1 5 . 1 1 11 11 SER N N 356 116.116 116.116 117.828 -1.712 18297 2016 1 5 . 1 1 11 11 SER HA H 356 5.020 5.020 5.078 -0.058 18297 2017 1 5 . 1 1 11 11 SER C C 356 174.917 174.917 174.441 0.476 18297 2018 1 5 . 1 1 11 11 SER CA C 356 56.110 56.110 55.985 0.125 18297 2019 1 5 . 1 1 11 11 SER CB C 356 63.879 63.879 63.093 0.786 18297 2020 1 5 . 1 1 11 11 SER H H 356 8.757 8.757 8.630 0.127 18297 2021 1 5 . 1 1 12 12 PRO HA H 357 3.776 3.776 4.686 -0.910 18297 2022 1 5 . 1 1 12 12 PRO C C 357 176.155 176.155 177.907 -1.752 18297 2023 1 5 . 1 1 12 12 PRO CA C 357 64.886 64.886 65.219 -0.333 18297 2024 1 5 . 1 1 12 12 PRO CB C 357 31.222 31.222 31.850 -0.628 18297 2025 1 5 . 1 1 13 13 SER N N 358 107.859 107.859 111.444 -3.585 18297 2026 1 5 . 1 1 13 13 SER HA H 358 4.388 4.388 4.424 -0.036 18297 2027 1 5 . 1 1 13 13 SER C C 358 173.972 173.972 174.452 -0.480 18297 2028 1 5 . 1 1 13 13 SER CA C 358 57.728 57.728 58.276 -0.548 18297 2029 1 5 . 1 1 13 13 SER CB C 358 63.879 63.879 62.788 1.091 18297 2030 1 5 . 1 1 13 13 SER H H 358 7.636 7.636 8.231 -0.595 18297 2031 1 5 . 1 1 14 14 ALA N N 359 126.012 126.012 126.384 -0.372 18297 2032 1 5 . 1 1 14 14 ALA HA H 359 4.320 4.320 4.387 -0.067 18297 2033 1 5 . 1 1 14 14 ALA C C 359 177.288 177.288 176.158 1.130 18297 2034 1 5 . 1 1 14 14 ALA CA C 359 52.849 52.849 52.159 0.690 18297 2035 1 5 . 1 1 14 14 ALA CB C 359 19.372 19.372 20.205 -0.833 18297 2036 1 5 . 1 1 14 14 ALA H H 359 7.937 7.937 7.899 0.038 18297 2037 1 5 . 1 1 15 15 LYS N N 360 119.699 119.699 123.160 -3.461 18297 2038 1 5 . 1 1 15 15 LYS HA H 360 4.751 4.751 4.504 0.247 18297 2039 1 5 . 1 1 15 15 LYS C C 360 179.638 179.638 177.637 2.001 18297 2040 1 5 . 1 1 15 15 LYS CA C 360 54.815 54.815 55.807 -0.992 18297 2041 1 5 . 1 1 15 15 LYS CB C 360 33.127 33.127 34.079 -0.952 18297 2042 1 5 . 1 1 15 15 LYS H H 360 8.523 8.523 8.299 0.224 18297 2043 1 5 . 1 1 16 16 LEU N N 361 123.297 123.297 125.921 -2.624 18297 2044 1 5 . 1 1 16 16 LEU HA H 361 3.828 3.828 3.964 -0.136 18297 2045 1 5 . 1 1 16 16 LEU C C 361 178.714 178.714 178.246 0.468 18297 2046 1 5 . 1 1 16 16 LEU CA C 361 58.321 58.321 58.257 0.064 18297 2047 1 5 . 1 1 16 16 LEU CB C 361 40.240 40.240 41.713 -1.473 18297 2048 1 5 . 1 1 16 16 LEU H H 361 8.383 8.383 8.705 -0.322 18297 2049 1 5 . 1 1 17 17 GLN N N 362 117.900 117.900 118.658 -0.758 18297 2050 1 5 . 1 1 17 17 GLN HA H 362 3.621 3.621 3.943 -0.322 18297 2051 1 5 . 1 1 17 17 GLN C C 362 176.370 176.370 178.232 -1.862 18297 2052 1 5 . 1 1 17 17 GLN CA C 362 58.547 58.547 59.367 -0.820 18297 2053 1 5 . 1 1 17 17 GLN CB C 362 29.442 29.442 28.556 0.886 18297 2054 1 5 . 1 1 17 17 GLN H H 362 8.766 8.766 7.742 1.024 18297 2055 1 5 . 1 1 18 18 GLU N N 363 116.341 116.341 117.901 -1.560 18297 2056 1 5 . 1 1 18 18 GLU HA H 363 4.201 4.201 4.317 -0.116 18297 2057 1 5 . 1 1 18 18 GLU C C 363 180.135 180.135 179.288 0.847 18297 2058 1 5 . 1 1 18 18 GLU CA C 363 59.669 59.669 58.971 0.698 18297 2059 1 5 . 1 1 18 18 GLU CB C 363 29.870 29.870 28.676 1.194 18297 2060 1 5 . 1 1 18 18 GLU H H 363 7.783 7.783 8.637 -0.854 18297 2061 1 5 . 1 1 19 19 VAL N N 364 120.647 120.647 119.518 1.129 18297 2062 1 5 . 1 1 19 19 VAL HA H 364 3.421 3.421 3.580 -0.159 18297 2063 1 5 . 1 1 19 19 VAL C C 364 177.380 177.380 177.788 -0.408 18297 2064 1 5 . 1 1 19 19 VAL CA C 364 65.433 65.433 65.640 -0.207 18297 2065 1 5 . 1 1 19 19 VAL CB C 364 30.964 30.964 31.158 -0.194 18297 2066 1 5 . 1 1 19 19 VAL H H 364 7.224 7.224 7.198 0.026 18297 2067 1 5 . 1 1 20 20 LEU N N 365 120.743 120.743 119.094 1.649 18297 2068 1 5 . 1 1 20 20 LEU HA H 365 3.916 3.916 3.856 0.060 18297 2069 1 5 . 1 1 20 20 LEU C C 365 178.974 178.974 178.876 0.098 18297 2070 1 5 . 1 1 20 20 LEU CA C 365 58.612 58.612 57.381 1.231 18297 2071 1 5 . 1 1 20 20 LEU CB C 365 41.425 41.425 40.688 0.737 18297 2072 1 5 . 1 1 20 20 LEU H H 365 7.517 7.517 7.283 0.234 18297 2073 1 5 . 1 1 21 21 ASP N N 366 119.329 119.329 118.128 1.201 18297 2074 1 5 . 1 1 21 21 ASP HA H 366 4.306 4.306 4.346 -0.040 18297 2075 1 5 . 1 1 21 21 ASP C C 366 177.992 177.992 179.039 -1.047 18297 2076 1 5 . 1 1 21 21 ASP CA C 366 57.405 57.405 56.581 0.824 18297 2077 1 5 . 1 1 21 21 ASP CB C 366 40.265 40.265 40.610 -0.345 18297 2078 1 5 . 1 1 21 21 ASP H H 366 8.805 8.805 7.664 1.141 18297 2079 1 5 . 1 1 22 22 TYR N N 367 121.643 121.643 121.133 0.510 18297 2080 1 5 . 1 1 22 22 TYR HA H 367 4.305 4.305 4.324 -0.019 18297 2081 1 5 . 1 1 22 22 TYR C C 367 177.701 177.701 176.750 0.951 18297 2082 1 5 . 1 1 22 22 TYR CA C 367 61.777 61.777 60.745 1.032 18297 2083 1 5 . 1 1 22 22 TYR CB C 367 38.801 38.801 38.779 0.021 18297 2084 1 5 . 1 1 22 22 TYR H H 367 7.718 7.718 7.731 -0.013 18297 2085 1 5 . 1 1 23 23 LEU N N 368 118.414 118.414 118.672 -0.258 18297 2086 1 5 . 1 1 23 23 LEU HA H 368 3.910 3.910 4.095 -0.185 18297 2087 1 5 . 1 1 23 23 LEU C C 368 178.019 178.019 178.260 -0.241 18297 2088 1 5 . 1 1 23 23 LEU CA C 368 57.773 57.773 57.443 0.330 18297 2089 1 5 . 1 1 23 23 LEU CB C 368 42.032 42.032 42.072 -0.040 18297 2090 1 5 . 1 1 23 23 LEU H H 368 8.060 8.060 7.708 0.352 18297 2091 1 5 . 1 1 24 24 THR N N 369 106.606 106.606 108.048 -1.442 18297 2092 1 5 . 1 1 24 24 THR HA H 369 4.507 4.507 4.324 0.183 18297 2093 1 5 . 1 1 24 24 THR C C 369 176.576 176.576 174.722 1.854 18297 2094 1 5 . 1 1 24 24 THR CA C 369 63.245 63.245 61.853 1.392 18297 2095 1 5 . 1 1 24 24 THR CB C 369 70.517 70.517 70.006 0.511 18297 2096 1 5 . 1 1 24 24 THR H H 369 8.017 8.017 8.171 -0.154 18297 2097 1 5 . 1 1 25 25 ASN N N 370 118.847 118.847 119.281 -0.434 18297 2098 1 5 . 1 1 25 25 ASN HA H 370 4.846 4.846 4.999 -0.153 18297 2099 1 5 . 1 1 25 25 ASN C C 370 176.455 176.455 174.660 1.795 18297 2100 1 5 . 1 1 25 25 ASN CA C 370 53.944 53.944 52.448 1.496 18297 2101 1 5 . 1 1 25 25 ASN CB C 370 39.718 39.718 42.006 -2.288 18297 2102 1 5 . 1 1 25 25 ASN H H 370 8.149 8.149 8.292 -0.143 18297 2103 1 5 . 1 1 26 26 SER N N 371 116.888 116.888 117.673 -0.785 18297 2104 1 5 . 1 1 26 26 SER HA H 371 4.375 4.375 4.557 -0.182 18297 2105 1 5 . 1 1 26 26 SER C C 371 176.257 176.257 174.922 1.335 18297 2106 1 5 . 1 1 26 26 SER CA C 371 59.603 59.603 60.745 -1.142 18297 2107 1 5 . 1 1 26 26 SER CB C 371 63.792 63.792 63.529 0.264 18297 2108 1 5 . 1 1 26 26 SER H H 371 7.889 7.889 8.645 -0.756 18297 2109 1 5 . 1 1 27 27 ALA N N 372 128.743 128.743 121.527 7.216 18297 2110 1 5 . 1 1 27 27 ALA HA H 372 4.228 4.228 4.516 -0.288 18297 2111 1 5 . 1 1 27 27 ALA C C 372 178.538 178.538 180.079 -1.541 18297 2112 1 5 . 1 1 27 27 ALA CA C 372 54.491 54.491 54.415 0.076 18297 2113 1 5 . 1 1 27 27 ALA CB C 372 18.772 18.772 18.847 -0.075 18297 2114 1 5 . 1 1 27 27 ALA H H 372 8.836 8.836 7.889 0.947 18297 2115 1 5 . 1 1 28 28 SER N N 373 110.751 110.751 114.322 -3.571 18297 2116 1 5 . 1 1 28 28 SER HA H 373 4.426 4.426 4.336 0.090 18297 2117 1 5 . 1 1 28 28 SER C C 373 174.548 174.548 175.077 -0.529 18297 2118 1 5 . 1 1 28 28 SER CA C 373 59.415 59.415 60.818 -1.403 18297 2119 1 5 . 1 1 28 28 SER CB C 373 63.394 63.394 62.821 0.573 18297 2120 1 5 . 1 1 28 28 SER H H 373 8.069 8.069 8.464 -0.395 18297 2121 1 5 . 1 1 29 29 LEU N N 374 122.012 122.012 119.194 2.818 18297 2122 1 5 . 1 1 29 29 LEU HA H 374 4.465 4.465 4.476 -0.011 18297 2123 1 5 . 1 1 29 29 LEU C C 374 175.716 175.716 176.599 -0.883 18297 2124 1 5 . 1 1 29 29 LEU CA C 374 56.132 56.132 54.487 1.645 18297 2125 1 5 . 1 1 29 29 LEU CB C 374 44.295 44.295 41.935 2.360 18297 2126 1 5 . 1 1 29 29 LEU H H 374 7.547 7.547 7.430 0.117 18297 2127 1 5 . 1 1 30 30 GLN N N 375 116.052 116.052 118.066 -2.014 18297 2128 1 5 . 1 1 30 30 GLN HA H 375 4.003 4.003 4.052 -0.049 18297 2129 1 5 . 1 1 30 30 GLN C C 375 175.498 175.498 177.747 -2.249 18297 2130 1 5 . 1 1 30 30 GLN CA C 375 56.434 56.434 58.228 -1.794 18297 2131 1 5 . 1 1 30 30 GLN CB C 375 27.948 27.948 28.675 -0.727 18297 2132 1 5 . 1 1 30 30 GLN H H 375 8.060 8.060 7.540 0.520 18297 2133 1 5 . 1 1 31 31 MET N N 376 117.691 117.691 115.282 2.409 18297 2134 1 5 . 1 1 31 31 MET HA H 376 4.283 4.283 4.594 -0.311 18297 2135 1 5 . 1 1 31 31 MET C C 376 175.843 175.843 177.257 -1.414 18297 2136 1 5 . 1 1 31 31 MET CA C 376 57.728 57.728 57.155 0.573 18297 2137 1 5 . 1 1 31 31 MET CB C 376 33.451 33.451 33.054 0.397 18297 2138 1 5 . 1 1 31 31 MET H H 376 8.211 8.211 8.092 0.119 18297 2139 1 5 . 1 1 32 32 LYS N N 377 122.028 122.028 119.845 2.183 18297 2140 1 5 . 1 1 32 32 LYS HA H 377 4.414 4.414 4.280 0.134 18297 2141 1 5 . 1 1 32 32 LYS C C 377 177.837 177.837 176.648 1.189 18297 2142 1 5 . 1 1 32 32 LYS CA C 377 58.052 58.052 56.554 1.498 18297 2143 1 5 . 1 1 32 32 LYS CB C 377 34.994 34.994 32.253 2.741 18297 2144 1 5 . 1 1 32 32 LYS H H 377 9.461 9.461 8.039 1.422 18297 2145 1 5 . 1 1 33 33 SER N N 378 115.056 115.056 116.079 -1.023 18297 2146 1 5 . 1 1 33 33 SER HA H 378 4.650 4.650 4.432 0.218 18297 2147 1 5 . 1 1 33 33 SER C C 378 172.026 172.026 173.628 -1.602 18297 2148 1 5 . 1 1 33 33 SER CA C 378 55.038 55.038 56.011 -0.973 18297 2149 1 5 . 1 1 33 33 SER CB C 378 62.908 62.908 63.441 -0.534 18297 2150 1 5 . 1 1 33 33 SER H H 378 10.101 10.101 7.430 2.671 18297 2151 1 5 . 1 1 34 34 PRO HA H 379 5.043 5.043 4.680 0.363 18297 2152 1 5 . 1 1 34 34 PRO C C 379 175.422 175.422 175.183 0.239 18297 2153 1 5 . 1 1 34 34 PRO CA C 379 63.792 63.792 62.597 1.195 18297 2154 1 5 . 1 1 34 34 PRO CB C 379 33.703 33.703 32.525 1.178 18297 2155 1 5 . 1 1 35 35 ALA N N 380 121.498 121.498 122.861 -1.363 18297 2156 1 5 . 1 1 35 35 ALA HA H 380 5.137 5.137 4.898 0.239 18297 2157 1 5 . 1 1 35 35 ALA C C 380 177.313 177.313 175.782 1.531 18297 2158 1 5 . 1 1 35 35 ALA CA C 380 50.661 50.661 50.914 -0.253 18297 2159 1 5 . 1 1 35 35 ALA CB C 380 22.118 22.118 21.986 0.132 18297 2160 1 5 . 1 1 35 35 ALA H H 380 8.894 8.894 8.986 -0.092 18297 2161 1 5 . 1 1 36 36 ILE N N 381 120.470 120.470 124.984 -4.514 18297 2162 1 5 . 1 1 36 36 ILE HA H 381 4.967 4.967 4.627 0.340 18297 2163 1 5 . 1 1 36 36 ILE C C 381 175.314 175.314 175.495 -0.181 18297 2164 1 5 . 1 1 36 36 ILE CA C 381 61.056 61.056 60.525 0.531 18297 2165 1 5 . 1 1 36 36 ILE CB C 381 41.364 41.364 39.542 1.822 18297 2166 1 5 . 1 1 36 36 ILE H H 381 9.038 9.038 8.306 0.732 18297 2167 1 5 . 1 1 37 37 THR N N 382 123.297 123.297 124.167 -0.870 18297 2168 1 5 . 1 1 37 37 THR HA H 382 5.252 5.252 5.132 0.120 18297 2169 1 5 . 1 1 37 37 THR C C 382 172.289 172.289 172.593 -0.304 18297 2170 1 5 . 1 1 37 37 THR CA C 382 60.977 60.977 61.038 -0.061 18297 2171 1 5 . 1 1 37 37 THR CB C 382 71.919 71.919 71.519 0.400 18297 2172 1 5 . 1 1 37 37 THR H H 382 9.363 9.363 8.934 0.429 18297 2173 1 5 . 1 1 38 38 ALA N N 383 123.340 123.340 126.959 -3.619 18297 2174 1 5 . 1 1 38 38 ALA HA H 383 4.935 4.935 4.997 -0.062 18297 2175 1 5 . 1 1 38 38 ALA C C 383 175.743 175.743 175.475 0.268 18297 2176 1 5 . 1 1 38 38 ALA CA C 383 51.147 51.147 50.386 0.761 18297 2177 1 5 . 1 1 38 38 ALA CB C 383 22.758 22.758 22.671 0.087 18297 2178 1 5 . 1 1 38 38 ALA H H 383 8.896 8.896 9.104 -0.208 18297 2179 1 5 . 1 1 39 39 THR N N 384 118.815 118.815 115.270 3.545 18297 2180 1 5 . 1 1 39 39 THR HA H 384 4.892 4.892 5.340 -0.448 18297 2181 1 5 . 1 1 39 39 THR C C 384 174.098 174.098 174.166 -0.068 18297 2182 1 5 . 1 1 39 39 THR CA C 384 62.310 62.310 60.902 1.408 18297 2183 1 5 . 1 1 39 39 THR CB C 384 69.263 69.263 69.713 -0.450 18297 2184 1 5 . 1 1 39 39 THR H H 384 8.968 8.968 8.638 0.330 18297 2185 1 5 . 1 1 40 40 LEU N N 385 128.711 128.711 127.007 1.704 18297 2186 1 5 . 1 1 40 40 LEU HA H 385 4.791 4.791 4.753 0.038 18297 2187 1 5 . 1 1 40 40 LEU C C 385 176.479 176.479 176.159 0.320 18297 2188 1 5 . 1 1 40 40 LEU CA C 385 53.944 53.944 53.764 0.180 18297 2189 1 5 . 1 1 40 40 LEU CB C 385 44.966 44.966 43.863 1.103 18297 2190 1 5 . 1 1 40 40 LEU H H 385 8.667 8.667 9.029 -0.362 18297 2191 1 5 . 1 1 41 41 GLU N N 386 124.470 124.470 126.003 -1.533 18297 2192 1 5 . 1 1 41 41 GLU HA H 386 3.936 3.936 3.948 -0.012 18297 2193 1 5 . 1 1 41 41 GLU C C 386 176.878 176.878 176.135 0.743 18297 2194 1 5 . 1 1 41 41 GLU CA C 386 57.226 57.226 56.763 0.463 18297 2195 1 5 . 1 1 41 41 GLU CB C 386 27.735 27.735 28.410 -0.675 18297 2196 1 5 . 1 1 41 41 GLU H H 386 9.547 9.547 9.328 0.219 18297 2197 1 5 . 1 1 42 42 GLY N N 387 104.068 104.068 103.279 0.789 18297 2198 1 5 . 1 1 42 42 GLY C C 387 173.993 173.993 173.970 0.023 18297 2199 1 5 . 1 1 42 42 GLY CA C 387 45.596 45.596 45.134 0.462 18297 2200 1 5 . 1 1 42 42 GLY H H 387 8.578 8.578 8.299 0.279 18297 2201 1 5 . 1 1 43 43 LYS N N 388 120.422 120.422 121.822 -1.400 18297 2202 1 5 . 1 1 43 43 LYS HA H 388 4.701 4.701 4.471 0.230 18297 2203 1 5 . 1 1 43 43 LYS C C 388 175.054 175.054 175.308 -0.254 18297 2204 1 5 . 1 1 43 43 LYS CA C 388 54.491 54.491 55.157 -0.666 18297 2205 1 5 . 1 1 43 43 LYS CB C 388 34.968 34.968 33.969 0.999 18297 2206 1 5 . 1 1 43 43 LYS H H 388 7.826 7.826 7.707 0.119 18297 2207 1 5 . 1 1 44 44 ASN N N 389 122.606 122.606 121.192 1.414 18297 2208 1 5 . 1 1 44 44 ASN HA H 389 4.895 4.895 5.033 -0.138 18297 2209 1 5 . 1 1 44 44 ASN C C 389 174.905 174.905 174.735 0.170 18297 2210 1 5 . 1 1 44 44 ASN CA C 389 53.944 53.944 53.766 0.178 18297 2211 1 5 . 1 1 44 44 ASN CB C 389 39.229 39.229 39.243 -0.014 18297 2212 1 5 . 1 1 44 44 ASN H H 389 8.827 8.827 8.706 0.121 18297 2213 1 5 . 1 1 45 45 ARG N N 390 125.867 125.867 126.039 -0.172 18297 2214 1 5 . 1 1 45 45 ARG HA H 390 4.756 4.756 4.637 0.119 18297 2215 1 5 . 1 1 45 45 ARG C C 390 175.224 175.224 174.895 0.329 18297 2216 1 5 . 1 1 45 45 ARG CA C 390 54.491 54.491 54.783 -0.292 18297 2217 1 5 . 1 1 45 45 ARG CB C 390 32.973 32.973 33.088 -0.115 18297 2218 1 5 . 1 1 45 45 ARG H H 390 9.220 9.220 9.174 0.046 18297 2219 1 5 . 1 1 46 46 THR N N 391 122.574 122.574 121.845 0.729 18297 2220 1 5 . 1 1 46 46 THR HA H 391 4.289 4.289 4.360 -0.071 18297 2221 1 5 . 1 1 46 46 THR C C 391 174.010 174.010 174.641 -0.631 18297 2222 1 5 . 1 1 46 46 THR CA C 391 63.509 63.509 62.923 0.586 18297 2223 1 5 . 1 1 46 46 THR CB C 391 68.716 68.716 68.875 -0.159 18297 2224 1 5 . 1 1 46 46 THR H H 391 8.940 8.940 8.734 0.206 18297 2225 1 5 . 1 1 47 47 LEU N N 392 128.647 128.647 127.682 0.965 18297 2226 1 5 . 1 1 47 47 LEU HA H 392 4.339 4.339 4.480 -0.141 18297 2227 1 5 . 1 1 47 47 LEU C C 392 176.670 176.670 176.199 0.471 18297 2228 1 5 . 1 1 47 47 LEU CA C 392 56.132 56.132 55.581 0.550 18297 2229 1 5 . 1 1 47 47 LEU CB C 392 42.678 42.678 42.733 -0.055 18297 2230 1 5 . 1 1 47 47 LEU H H 392 9.096 9.096 8.766 0.330 18297 2231 1 5 . 1 1 48 48 TYR N N 393 113.514 113.514 118.739 -5.225 18297 2232 1 5 . 1 1 48 48 TYR HA H 393 4.618 4.618 4.542 0.076 18297 2233 1 5 . 1 1 48 48 TYR C C 393 173.455 173.455 174.689 -1.234 18297 2234 1 5 . 1 1 48 48 TYR CA C 393 59.415 59.415 56.087 3.328 18297 2235 1 5 . 1 1 48 48 TYR CB C 393 41.384 41.384 40.611 0.773 18297 2236 1 5 . 1 1 48 48 TYR H H 393 7.562 7.562 7.856 -0.294 18297 2237 1 5 . 1 1 57 57 GLU N N 402 128.181 128.181 123.333 4.848 18297 2238 1 5 . 1 1 57 57 GLU H H 402 8.645 8.645 8.906 -0.261 18297 2239 1 5 . 1 1 58 58 ARG N N 403 117.080 117.080 121.450 -4.370 18297 2240 1 5 . 1 1 58 58 ARG HA H 403 4.302 4.302 4.589 -0.287 18297 2241 1 5 . 1 1 58 58 ARG CA C 403 58.321 58.321 54.869 3.452 18297 2242 1 5 . 1 1 58 58 ARG CB C 403 31.165 31.165 30.347 0.818 18297 2243 1 5 . 1 1 58 58 ARG H H 403 8.278 8.278 8.283 -0.005 18297 2244 1 5 . 1 1 59 59 THR N N 404 108.390 108.390 117.978 -9.588 18297 2245 1 5 . 1 1 59 59 THR HA H 404 4.932 4.932 3.796 1.136 18297 2246 1 5 . 1 1 59 59 THR H H 404 8.301 8.301 8.602 -0.301 18297 2247 1 5 . 1 1 60 60 ARG N N 405 126.639 126.639 121.986 4.653 18297 2248 1 5 . 1 1 60 60 ARG H H 405 8.549 8.549 7.926 0.623 18297 2249 1 5 . 1 1 61 61 PRO HA H 406 4.431 4.431 4.439 -0.008 18297 2250 1 5 . 1 1 61 61 PRO C C 406 178.434 178.434 177.747 0.687 18297 2251 1 5 . 1 1 61 61 PRO CA C 406 65.980 65.980 65.155 0.825 18297 2252 1 5 . 1 1 61 61 PRO CB C 406 31.348 31.348 32.327 -0.979 18297 2253 1 5 . 1 1 62 62 ASN N N 407 114.574 114.574 117.657 -3.083 18297 2254 1 5 . 1 1 62 62 ASN HA H 407 4.390 4.390 4.430 -0.040 18297 2255 1 5 . 1 1 62 62 ASN C C 407 177.863 177.863 177.436 0.427 18297 2256 1 5 . 1 1 62 62 ASN CA C 407 55.308 55.308 56.098 -0.790 18297 2257 1 5 . 1 1 62 62 ASN CB C 407 37.530 37.530 37.524 0.006 18297 2258 1 5 . 1 1 62 62 ASN H H 407 8.481 8.481 8.642 -0.161 18297 2259 1 5 . 1 1 63 63 LEU N N 408 115.667 115.667 116.983 -1.316 18297 2260 1 5 . 1 1 63 63 LEU HA H 408 3.861 3.861 4.232 -0.371 18297 2261 1 5 . 1 1 63 63 LEU C C 408 177.708 177.708 178.073 -0.365 18297 2262 1 5 . 1 1 63 63 LEU CA C 408 57.667 57.667 57.257 0.410 18297 2263 1 5 . 1 1 63 63 LEU CB C 408 41.706 41.706 41.899 -0.193 18297 2264 1 5 . 1 1 63 63 LEU H H 408 8.022 8.022 8.030 -0.008 18297 2265 1 5 . 1 1 64 64 SER N N 409 109.209 109.209 112.788 -3.579 18297 2266 1 5 . 1 1 64 64 SER HA H 409 4.588 4.588 4.390 0.198 18297 2267 1 5 . 1 1 64 64 SER C C 409 173.870 173.870 174.515 -0.645 18297 2268 1 5 . 1 1 64 64 SER CA C 409 58.321 58.321 59.680 -1.359 18297 2269 1 5 . 1 1 64 64 SER CB C 409 63.855 63.855 63.558 0.297 18297 2270 1 5 . 1 1 64 64 SER H H 409 7.232 7.232 7.560 -0.328 18297 2271 1 5 . 1 1 65 65 LYS N N 410 122.735 122.735 120.309 2.426 18297 2272 1 5 . 1 1 65 65 LYS HA H 410 4.609 4.609 4.416 0.193 18297 2273 1 5 . 1 1 65 65 LYS C C 410 175.946 175.946 176.265 -0.319 18297 2274 1 5 . 1 1 65 65 LYS CA C 410 55.463 55.463 54.706 0.757 18297 2275 1 5 . 1 1 65 65 LYS CB C 410 34.422 34.422 33.328 1.095 18297 2276 1 5 . 1 1 65 65 LYS H H 410 7.543 7.543 7.524 0.019 18297 2277 1 5 . 1 1 66 66 THR N N 411 110.944 110.944 110.632 0.312 18297 2278 1 5 . 1 1 66 66 THR HA H 411 5.003 5.003 4.897 0.106 18297 2279 1 5 . 1 1 66 66 THR C C 411 176.038 176.038 176.590 -0.552 18297 2280 1 5 . 1 1 66 66 THR CA C 411 60.221 60.221 60.536 -0.315 18297 2281 1 5 . 1 1 66 66 THR CB C 411 70.956 70.956 71.005 -0.049 18297 2282 1 5 . 1 1 66 66 THR H H 411 8.980 8.980 8.278 0.702 18297 2283 1 5 . 1 1 67 67 LEU N N 412 118.076 118.076 120.878 -2.802 18297 2284 1 5 . 1 1 67 67 LEU HA H 412 3.961 3.961 4.027 -0.066 18297 2285 1 5 . 1 1 67 67 LEU C C 412 179.227 179.227 178.819 0.408 18297 2286 1 5 . 1 1 67 67 LEU CA C 412 58.321 58.321 58.580 -0.259 18297 2287 1 5 . 1 1 67 67 LEU CB C 412 39.914 39.914 41.570 -1.656 18297 2288 1 5 . 1 1 67 67 LEU H H 412 8.434 8.434 8.750 -0.316 18297 2289 1 5 . 1 1 68 68 LYS N N 413 116.373 116.373 120.195 -3.822 18297 2290 1 5 . 1 1 68 68 LYS HA H 413 4.285 4.285 3.925 0.360 18297 2291 1 5 . 1 1 68 68 LYS C C 413 181.338 181.338 179.607 1.731 18297 2292 1 5 . 1 1 68 68 LYS CA C 413 58.868 58.868 59.356 -0.488 18297 2293 1 5 . 1 1 68 68 LYS CB C 413 32.606 32.606 32.337 0.269 18297 2294 1 5 . 1 1 68 68 LYS H H 413 8.171 8.171 7.796 0.375 18297 2295 1 5 . 1 1 69 69 GLU N N 414 123.731 123.731 119.951 3.780 18297 2296 1 5 . 1 1 69 69 GLU HA H 414 4.072 4.072 4.067 0.005 18297 2297 1 5 . 1 1 69 69 GLU C C 414 179.202 179.202 178.939 0.263 18297 2298 1 5 . 1 1 69 69 GLU CA C 414 58.868 58.868 59.035 -0.167 18297 2299 1 5 . 1 1 69 69 GLU CB C 414 29.566 29.566 29.167 0.399 18297 2300 1 5 . 1 1 69 69 GLU H H 414 8.326 8.326 7.778 0.548 18297 2301 1 5 . 1 1 70 70 LEU N N 415 119.008 119.008 117.106 1.902 18297 2302 1 5 . 1 1 70 70 LEU HA H 415 4.218 4.218 4.149 0.069 18297 2303 1 5 . 1 1 70 70 LEU C C 415 176.505 176.505 177.461 -0.956 18297 2304 1 5 . 1 1 70 70 LEU CA C 415 55.822 55.822 55.298 0.524 18297 2305 1 5 . 1 1 70 70 LEU CB C 415 43.012 43.012 41.977 1.035 18297 2306 1 5 . 1 1 70 70 LEU H H 415 7.993 7.993 7.425 0.568 18297 2307 1 5 . 1 1 71 71 GLY N N 416 105.578 105.578 106.459 -0.881 18297 2308 1 5 . 1 1 71 71 GLY C C 416 174.505 174.505 174.684 -0.179 18297 2309 1 5 . 1 1 71 71 GLY CA C 416 45.191 45.191 45.541 -0.350 18297 2310 1 5 . 1 1 71 71 GLY H H 416 7.880 7.880 7.754 0.126 18297 2311 1 5 . 1 1 72 72 LEU N N 417 119.201 119.201 122.368 -3.167 18297 2312 1 5 . 1 1 72 72 LEU HA H 417 4.599 4.599 4.997 -0.398 18297 2313 1 5 . 1 1 72 72 LEU C C 417 176.208 176.208 176.729 -0.521 18297 2314 1 5 . 1 1 72 72 LEU CA C 417 54.815 54.815 54.940 -0.125 18297 2315 1 5 . 1 1 72 72 LEU CB C 417 41.867 41.867 43.180 -1.313 18297 2316 1 5 . 1 1 72 72 LEU H H 417 7.466 7.466 7.364 0.102 18297 2317 1 5 . 1 1 73 73 VAL N N 418 112.871 112.871 117.183 -4.312 18297 2318 1 5 . 1 1 73 73 VAL HA H 418 4.782 4.782 4.261 0.521 18297 2319 1 5 . 1 1 73 73 VAL C C 418 174.804 174.804 174.731 0.073 18297 2320 1 5 . 1 1 73 73 VAL CA C 418 59.070 59.070 58.766 0.305 18297 2321 1 5 . 1 1 73 73 VAL CB C 418 35.557 35.557 34.795 0.762 18297 2322 1 5 . 1 1 73 73 VAL H H 418 8.003 8.003 8.561 -0.558 18297 2323 1 5 . 1 1 74 74 ASP N N 419 119.972 119.972 121.643 -1.671 18297 2324 1 5 . 1 1 74 74 ASP HA H 419 3.593 3.593 4.872 -1.279 18297 2325 1 5 . 1 1 74 74 ASP C C 419 177.545 177.545 177.245 0.300 18297 2326 1 5 . 1 1 74 74 ASP CA C 419 56.419 56.419 56.461 -0.042 18297 2327 1 5 . 1 1 74 74 ASP CB C 419 42.035 42.035 41.089 0.946 18297 2328 1 5 . 1 1 74 74 ASP H H 419 8.250 8.250 8.364 -0.114 18297 2329 1 5 . 1 1 75 75 GLY N N 420 116.020 116.020 114.471 1.549 18297 2330 1 5 . 1 1 75 75 GLY C C 420 173.763 173.763 174.287 -0.524 18297 2331 1 5 . 1 1 75 75 GLY CA C 420 45.354 45.354 44.566 0.788 18297 2332 1 5 . 1 1 75 75 GLY H H 420 8.704 8.704 8.559 0.145 18297 2333 1 5 . 1 1 76 76 GLN N N 421 121.514 121.514 120.532 0.982 18297 2334 1 5 . 1 1 76 76 GLN HA H 421 4.048 4.048 4.229 -0.181 18297 2335 1 5 . 1 1 76 76 GLN C C 421 175.023 175.023 174.369 0.654 18297 2336 1 5 . 1 1 76 76 GLN CA C 421 56.709 56.709 55.983 0.726 18297 2337 1 5 . 1 1 76 76 GLN CB C 421 29.511 29.511 29.884 -0.372 18297 2338 1 5 . 1 1 76 76 GLN H H 421 7.867 7.867 7.542 0.325 18297 2339 1 5 . 1 1 77 77 GLU N N 422 123.859 123.859 125.964 -2.105 18297 2340 1 5 . 1 1 77 77 GLU HA H 422 5.186 5.186 5.148 0.038 18297 2341 1 5 . 1 1 77 77 GLU C C 422 176.877 176.877 175.541 1.336 18297 2342 1 5 . 1 1 77 77 GLU CA C 422 55.786 55.786 55.476 0.310 18297 2343 1 5 . 1 1 77 77 GLU CB C 422 31.509 31.509 31.073 0.436 18297 2344 1 5 . 1 1 77 77 GLU H H 422 8.568 8.568 8.650 -0.082 18297 2345 1 5 . 1 1 78 78 LEU N N 423 125.867 125.867 127.874 -2.007 18297 2346 1 5 . 1 1 78 78 LEU HA H 423 5.080 5.080 4.540 0.540 18297 2347 1 5 . 1 1 78 78 LEU C C 423 174.470 174.470 175.658 -1.188 18297 2348 1 5 . 1 1 78 78 LEU CA C 423 53.686 53.686 54.068 -0.382 18297 2349 1 5 . 1 1 78 78 LEU CB C 423 44.966 44.966 43.692 1.274 18297 2350 1 5 . 1 1 78 78 LEU H H 423 9.313 9.313 9.176 0.137 18297 2351 1 5 . 1 1 79 79 ALA N N 424 126.044 126.044 126.289 -0.245 18297 2352 1 5 . 1 1 79 79 ALA HA H 424 5.206 5.206 4.777 0.429 18297 2353 1 5 . 1 1 79 79 ALA C C 424 176.786 176.786 175.554 1.232 18297 2354 1 5 . 1 1 79 79 ALA CA C 424 51.049 51.049 50.995 0.054 18297 2355 1 5 . 1 1 79 79 ALA CB C 424 20.453 20.453 20.046 0.407 18297 2356 1 5 . 1 1 79 79 ALA H H 424 8.918 8.918 8.997 -0.079 18297 2357 1 5 . 1 1 80 80 VAL N N 425 124.759 124.759 125.184 -0.425 18297 2358 1 5 . 1 1 80 80 VAL HA H 425 5.344 5.344 5.224 0.120 18297 2359 1 5 . 1 1 80 80 VAL C C 425 173.757 173.757 174.467 -0.710 18297 2360 1 5 . 1 1 80 80 VAL CA C 425 60.886 60.886 60.303 0.583 18297 2361 1 5 . 1 1 80 80 VAL CB C 425 34.908 34.908 34.695 0.213 18297 2362 1 5 . 1 1 80 80 VAL H H 425 9.357 9.357 8.893 0.464 18297 2363 1 5 . 1 1 81 81 ALA N N 426 129.353 129.353 129.095 0.258 18297 2364 1 5 . 1 1 81 81 ALA HA H 426 5.045 5.045 4.904 0.141 18297 2365 1 5 . 1 1 81 81 ALA C C 426 175.938 175.938 175.483 0.455 18297 2366 1 5 . 1 1 81 81 ALA CA C 426 50.133 50.133 49.751 0.382 18297 2367 1 5 . 1 1 81 81 ALA CB C 426 22.758 22.758 22.882 -0.124 18297 2368 1 5 . 1 1 81 81 ALA H H 426 8.502 8.502 8.928 -0.426 18297 2369 1 5 . 1 1 82 82 ASP N N 427 120.165 120.165 122.470 -2.305 18297 2370 1 5 . 1 1 82 82 ASP HA H 427 5.100 5.100 5.032 0.068 18297 2371 1 5 . 1 1 82 82 ASP C C 427 176.669 176.669 176.314 0.355 18297 2372 1 5 . 1 1 82 82 ASP CA C 427 54.491 54.491 53.452 1.039 18297 2373 1 5 . 1 1 82 82 ASP CB C 427 46.891 46.891 44.302 2.589 18297 2374 1 5 . 1 1 82 82 ASP H H 427 8.906 8.906 8.715 0.191 18297 2375 1 5 . 1 1 83 83 VAL N N 428 119.201 119.201 115.839 3.362 18297 2376 1 5 . 1 1 83 83 VAL HA H 428 4.153 4.153 4.119 0.034 18297 2377 1 5 . 1 1 83 83 VAL C C 428 177.085 177.085 177.119 -0.034 18297 2378 1 5 . 1 1 83 83 VAL CA C 428 63.992 63.992 64.650 -0.658 18297 2379 1 5 . 1 1 83 83 VAL CB C 428 31.772 31.772 31.892 -0.121 18297 2380 1 5 . 1 1 83 83 VAL H H 428 8.114 8.114 8.658 -0.544 18297 2381 1 5 . 1 1 84 84 THR N N 429 110.173 110.173 109.961 0.212 18297 2382 1 5 . 1 1 84 84 THR HA H 429 4.235 4.235 4.457 -0.222 18297 2383 1 5 . 1 1 84 84 THR C C 429 174.905 174.905 174.630 0.275 18297 2384 1 5 . 1 1 84 84 THR CA C 429 63.533 63.533 62.602 0.931 18297 2385 1 5 . 1 1 84 84 THR CB C 429 70.613 70.613 69.077 1.536 18297 2386 1 5 . 1 1 84 84 THR H H 429 7.899 7.899 7.922 -0.023 18297 2387 1 5 . 1 1 85 85 THR N N 430 116.438 116.438 118.155 -1.717 18297 2388 1 5 . 1 1 85 85 THR HA H 430 5.132 5.132 4.655 0.477 18297 2389 1 5 . 1 1 85 85 THR C C 430 173.160 173.160 173.202 -0.042 18297 2390 1 5 . 1 1 85 85 THR CA C 430 57.863 57.863 59.864 -2.001 18297 2391 1 5 . 1 1 85 85 THR CB C 430 71.050 71.050 69.968 1.082 18297 2392 1 5 . 1 1 85 85 THR H H 430 7.810 7.810 7.441 0.369 18297 2393 1 5 . 1 1 86 86 PRO HA H 431 4.582 4.582 4.610 -0.028 18297 2394 1 5 . 1 1 86 86 PRO CA C 431 64.086 64.086 62.930 1.156 18297 2395 1 5 . 1 1 86 86 PRO CB C 431 31.995 31.995 31.297 0.698 18297 2396 1 5 . 1 1 87 87 GLN N N 432 117.241 117.241 118.473 -1.232 18297 2397 1 5 . 1 1 87 87 GLN HA H 432 4.618 4.618 4.572 0.046 18297 2398 1 5 . 1 1 87 87 GLN C C 432 175.653 175.653 174.088 1.565 18297 2399 1 5 . 1 1 87 87 GLN CA C 432 54.491 54.491 54.364 0.127 18297 2400 1 5 . 1 1 87 87 GLN CB C 432 30.799 30.799 31.245 -0.446 18297 2401 1 5 . 1 1 87 87 GLN H H 432 7.786 7.786 7.536 0.250 18297 2402 1 5 . 1 1 88 88 THR N N 433 119.651 119.651 116.922 2.729 18297 2403 1 5 . 1 1 88 88 THR HA H 433 4.440 4.440 4.735 -0.295 18297 2404 1 5 . 1 1 88 88 THR C C 433 173.939 173.939 174.543 -0.604 18297 2405 1 5 . 1 1 88 88 THR CA C 433 63.792 63.792 62.339 1.453 18297 2406 1 5 . 1 1 88 88 THR CB C 433 70.357 70.357 69.542 0.815 18297 2407 1 5 . 1 1 88 88 THR H H 433 8.460 8.460 8.398 0.062 18297 2408 1 5 . 1 1 89 89 VAL N N 434 128.068 128.068 127.841 0.227 18297 2409 1 5 . 1 1 89 89 VAL HA H 434 4.153 4.153 4.264 -0.111 18297 2410 1 5 . 1 1 89 89 VAL C C 434 174.083 174.083 174.692 -0.609 18297 2411 1 5 . 1 1 89 89 VAL CA C 434 61.827 61.827 61.591 0.236 18297 2412 1 5 . 1 1 89 89 VAL CB C 434 33.937 33.937 33.178 0.759 18297 2413 1 5 . 1 1 89 89 VAL H H 434 9.275 9.275 9.259 0.016 18297 2414 1 5 . 1 1 90 90 LEU N N 435 125.755 125.755 125.803 -0.048 18297 2415 1 5 . 1 1 90 90 LEU HA H 435 5.304 5.304 5.422 -0.118 18297 2416 1 5 . 1 1 90 90 LEU C C 435 176.455 176.455 176.186 0.269 18297 2417 1 5 . 1 1 90 90 LEU CA C 435 53.396 53.396 53.712 -0.316 18297 2418 1 5 . 1 1 90 90 LEU CB C 435 44.023 44.023 43.860 0.163 18297 2419 1 5 . 1 1 90 90 LEU H H 435 8.169 8.169 8.628 -0.459 18297 2420 1 5 . 1 1 91 91 PHE N N 436 120.743 120.743 121.594 -0.851 18297 2421 1 5 . 1 1 91 91 PHE HA H 436 5.314 5.314 5.474 -0.160 18297 2422 1 5 . 1 1 91 91 PHE C C 436 174.788 174.788 174.938 -0.150 18297 2423 1 5 . 1 1 91 91 PHE CA C 436 56.327 56.327 56.266 0.061 18297 2424 1 5 . 1 1 91 91 PHE CB C 436 43.330 43.330 43.067 0.263 18297 2425 1 5 . 1 1 91 91 PHE H H 436 9.222 9.222 9.373 -0.151 18297 2426 1 5 . 1 1 92 92 LYS N N 437 123.120 123.120 122.946 0.174 18297 2427 1 5 . 1 1 92 92 LYS HA H 437 4.708 4.708 5.363 -0.655 18297 2428 1 5 . 1 1 92 92 LYS C C 437 174.606 174.606 175.036 -0.430 18297 2429 1 5 . 1 1 92 92 LYS CA C 437 55.139 55.139 55.231 -0.092 18297 2430 1 5 . 1 1 92 92 LYS CB C 437 34.269 34.269 34.958 -0.688 18297 2431 1 5 . 1 1 92 92 LYS H H 437 8.908 8.908 9.334 -0.426 18297 2432 1 5 . 1 1 93 93 LEU N N 438 128.422 128.422 126.885 1.537 18297 2433 1 5 . 1 1 93 93 LEU HA H 438 4.480 4.480 4.923 -0.443 18297 2434 1 5 . 1 1 93 93 LEU C C 438 175.327 175.327 174.722 0.605 18297 2435 1 5 . 1 1 93 93 LEU CA C 438 55.139 55.139 53.601 1.538 18297 2436 1 5 . 1 1 93 93 LEU CB C 438 43.976 43.976 44.295 -0.319 18297 2437 1 5 . 1 1 93 93 LEU H H 438 8.755 8.755 8.566 0.189 18297 2438 1 5 . 1 1 94 94 HIS N N 439 123.859 123.859 126.096 -2.237 18297 2439 1 5 . 1 1 94 94 HIS HA H 439 5.180 5.180 5.092 0.088 18297 2440 1 5 . 1 1 94 94 HIS C C 439 174.297 174.297 173.748 0.549 18297 2441 1 5 . 1 1 94 94 HIS CA C 439 53.396 53.396 54.412 -1.016 18297 2442 1 5 . 1 1 94 94 HIS CB C 439 30.786 30.786 32.558 -1.772 18297 2443 1 5 . 1 1 94 94 HIS H H 439 8.891 8.891 9.216 -0.325 18297 2444 1 5 . 1 1 95 95 PHE N N 440 123.544 123.544 123.468 0.076 18297 2445 1 5 . 1 1 95 95 PHE HA H 440 6.231 6.231 5.899 0.332 18297 2446 1 5 . 1 1 95 95 PHE C C 440 178.229 178.229 176.958 1.271 18297 2447 1 5 . 1 1 95 95 PHE CA C 440 53.690 53.690 56.366 -2.676 18297 2448 1 5 . 1 1 95 95 PHE CB C 440 39.477 39.477 41.166 -1.689 18297 2449 1 5 . 1 1 95 95 PHE H H 440 8.896 8.896 8.479 0.417 18297 2450 1 5 . 1 1 96 96 THR N N 441 114.382 114.382 117.089 -2.707 18297 2451 1 5 . 1 1 96 96 THR HA H 441 4.617 4.617 4.660 -0.043 18297 2452 1 5 . 1 1 96 96 THR C C 441 173.867 173.867 174.161 -0.294 18297 2453 1 5 . 1 1 96 96 THR CA C 441 61.327 61.327 61.415 -0.088 18297 2454 1 5 . 1 1 96 96 THR CB C 441 69.561 69.561 69.975 -0.414 18297 2455 1 5 . 1 1 96 96 THR H H 441 7.973 7.973 8.595 -0.622 18297 2456 1 6 . 1 1 2 2 SER HA H 347 4.570 4.570 4.588 -0.018 18297 2457 1 6 . 1 1 2 2 SER C C 347 174.335 174.335 173.830 0.505 18297 2458 1 6 . 1 1 2 2 SER CA C 347 58.350 58.350 57.171 1.179 18297 2459 1 6 . 1 1 2 2 SER CB C 347 63.999 63.999 66.500 -2.501 18297 2460 1 6 . 1 1 3 3 GLN N N 348 122.478 122.478 120.529 1.949 18297 2461 1 6 . 1 1 3 3 GLN HA H 348 4.430 4.430 4.399 0.030 18297 2462 1 6 . 1 1 3 3 GLN C C 348 175.651 175.651 176.034 -0.383 18297 2463 1 6 . 1 1 3 3 GLN CA C 348 55.743 55.743 56.052 -0.309 18297 2464 1 6 . 1 1 3 3 GLN CB C 348 29.750 29.750 29.125 0.625 18297 2465 1 6 . 1 1 3 3 GLN H H 348 8.532 8.532 8.368 0.164 18297 2466 1 6 . 1 1 4 4 LEU N N 349 125.369 125.369 119.320 6.049 18297 2467 1 6 . 1 1 4 4 LEU HA H 349 4.634 4.634 4.966 -0.332 18297 2468 1 6 . 1 1 4 4 LEU C C 349 175.324 175.324 174.835 0.489 18297 2469 1 6 . 1 1 4 4 LEU CA C 349 53.197 53.197 52.201 0.996 18297 2470 1 6 . 1 1 4 4 LEU CB C 349 41.867 41.867 41.923 -0.056 18297 2471 1 6 . 1 1 4 4 LEU H H 349 8.403 8.403 7.666 0.737 18297 2472 1 6 . 1 1 5 5 PRO HA H 350 4.360 4.360 4.537 -0.177 18297 2473 1 6 . 1 1 5 5 PRO C C 350 176.639 176.639 176.412 0.227 18297 2474 1 6 . 1 1 5 5 PRO CA C 350 62.748 62.748 62.412 0.336 18297 2475 1 6 . 1 1 5 5 PRO CB C 350 32.319 32.319 32.285 0.034 18297 2476 1 6 . 1 1 6 6 GLN N N 351 121.707 121.707 122.221 -0.514 18297 2477 1 6 . 1 1 6 6 GLN HA H 351 4.428 4.428 4.415 0.013 18297 2478 1 6 . 1 1 6 6 GLN C C 351 175.898 175.898 175.240 0.658 18297 2479 1 6 . 1 1 6 6 GLN CA C 351 55.678 55.678 54.876 0.802 18297 2480 1 6 . 1 1 6 6 GLN CB C 351 30.054 30.054 30.674 -0.620 18297 2481 1 6 . 1 1 6 6 GLN H H 351 8.255 8.255 8.196 0.059 18297 2482 1 6 . 1 1 7 7 ASN N N 352 123.275 123.275 122.018 1.257 18297 2483 1 6 . 1 1 7 7 ASN HA H 352 5.470 5.470 5.587 -0.117 18297 2484 1 6 . 1 1 7 7 ASN C C 352 175.324 175.324 174.792 0.532 18297 2485 1 6 . 1 1 7 7 ASN CA C 352 54.009 54.009 52.849 1.160 18297 2486 1 6 . 1 1 7 7 ASN CB C 352 40.414 40.414 40.767 -0.353 18297 2487 1 6 . 1 1 7 7 ASN H H 352 8.860 8.860 8.644 0.216 18297 2488 1 6 . 1 1 8 8 ILE N N 353 119.104 119.104 119.752 -0.648 18297 2489 1 6 . 1 1 8 8 ILE HA H 353 4.625 4.625 4.849 -0.224 18297 2490 1 6 . 1 1 8 8 ILE C C 353 173.669 173.669 174.196 -0.527 18297 2491 1 6 . 1 1 8 8 ILE CA C 353 60.201 60.201 59.491 0.710 18297 2492 1 6 . 1 1 8 8 ILE CB C 353 41.404 41.404 41.949 -0.545 18297 2493 1 6 . 1 1 8 8 ILE H H 353 8.808 8.808 9.319 -0.511 18297 2494 1 6 . 1 1 9 9 GLN N N 354 122.671 122.671 121.945 0.726 18297 2495 1 6 . 1 1 9 9 GLN HA H 354 5.586 5.586 5.609 -0.023 18297 2496 1 6 . 1 1 9 9 GLN C C 354 174.274 174.274 174.170 0.104 18297 2497 1 6 . 1 1 9 9 GLN CA C 354 54.491 54.491 53.897 0.594 18297 2498 1 6 . 1 1 9 9 GLN CB C 354 31.120 31.120 31.838 -0.718 18297 2499 1 6 . 1 1 9 9 GLN H H 354 8.021 8.021 8.292 -0.271 18297 2500 1 6 . 1 1 10 10 PHE N N 355 120.679 120.679 122.631 -1.952 18297 2501 1 6 . 1 1 10 10 PHE HA H 355 4.635 4.635 4.757 -0.122 18297 2502 1 6 . 1 1 10 10 PHE C C 355 174.715 174.715 174.588 0.127 18297 2503 1 6 . 1 1 10 10 PHE CA C 355 57.226 57.226 56.479 0.747 18297 2504 1 6 . 1 1 10 10 PHE CB C 355 45.969 45.969 43.661 2.308 18297 2505 1 6 . 1 1 10 10 PHE H H 355 8.403 8.403 9.274 -0.871 18297 2506 1 6 . 1 1 11 11 SER N N 356 116.116 116.116 117.580 -1.464 18297 2507 1 6 . 1 1 11 11 SER HA H 356 5.020 5.020 5.099 -0.079 18297 2508 1 6 . 1 1 11 11 SER C C 356 174.917 174.917 174.078 0.839 18297 2509 1 6 . 1 1 11 11 SER CA C 356 56.110 56.110 56.967 -0.857 18297 2510 1 6 . 1 1 11 11 SER CB C 356 63.879 63.879 63.191 0.688 18297 2511 1 6 . 1 1 11 11 SER H H 356 8.757 8.757 8.716 0.041 18297 2512 1 6 . 1 1 12 12 PRO HA H 357 3.776 3.776 4.268 -0.492 18297 2513 1 6 . 1 1 12 12 PRO C C 357 176.155 176.155 177.593 -1.438 18297 2514 1 6 . 1 1 12 12 PRO CA C 357 64.886 64.886 65.018 -0.132 18297 2515 1 6 . 1 1 12 12 PRO CB C 357 31.222 31.222 31.551 -0.329 18297 2516 1 6 . 1 1 13 13 SER N N 358 107.859 107.859 111.678 -3.819 18297 2517 1 6 . 1 1 13 13 SER HA H 358 4.388 4.388 4.455 -0.067 18297 2518 1 6 . 1 1 13 13 SER C C 358 173.972 173.972 174.611 -0.639 18297 2519 1 6 . 1 1 13 13 SER CA C 358 57.728 57.728 58.455 -0.727 18297 2520 1 6 . 1 1 13 13 SER CB C 358 63.879 63.879 62.936 0.943 18297 2521 1 6 . 1 1 13 13 SER H H 358 7.636 7.636 7.995 -0.359 18297 2522 1 6 . 1 1 14 14 ALA N N 359 126.012 126.012 126.265 -0.253 18297 2523 1 6 . 1 1 14 14 ALA HA H 359 4.320 4.320 4.427 -0.107 18297 2524 1 6 . 1 1 14 14 ALA C C 359 177.288 177.288 176.263 1.025 18297 2525 1 6 . 1 1 14 14 ALA CA C 359 52.849 52.849 52.444 0.405 18297 2526 1 6 . 1 1 14 14 ALA CB C 359 19.372 19.372 20.049 -0.677 18297 2527 1 6 . 1 1 14 14 ALA H H 359 7.937 7.937 7.996 -0.059 18297 2528 1 6 . 1 1 15 15 LYS N N 360 119.699 119.699 120.483 -0.784 18297 2529 1 6 . 1 1 15 15 LYS HA H 360 4.751 4.751 4.701 0.050 18297 2530 1 6 . 1 1 15 15 LYS C C 360 179.638 179.638 177.598 2.040 18297 2531 1 6 . 1 1 15 15 LYS CA C 360 54.815 54.815 55.062 -0.248 18297 2532 1 6 . 1 1 15 15 LYS CB C 360 33.127 33.127 33.319 -0.192 18297 2533 1 6 . 1 1 15 15 LYS H H 360 8.523 8.523 8.251 0.272 18297 2534 1 6 . 1 1 16 16 LEU N N 361 123.297 123.297 123.334 -0.037 18297 2535 1 6 . 1 1 16 16 LEU HA H 361 3.828 3.828 3.939 -0.111 18297 2536 1 6 . 1 1 16 16 LEU C C 361 178.714 178.714 178.186 0.528 18297 2537 1 6 . 1 1 16 16 LEU CA C 361 58.321 58.321 58.400 -0.079 18297 2538 1 6 . 1 1 16 16 LEU CB C 361 40.240 40.240 41.807 -1.567 18297 2539 1 6 . 1 1 16 16 LEU H H 361 8.383 8.383 8.207 0.176 18297 2540 1 6 . 1 1 17 17 GLN N N 362 117.900 117.900 118.926 -1.026 18297 2541 1 6 . 1 1 17 17 GLN HA H 362 3.621 3.621 3.891 -0.270 18297 2542 1 6 . 1 1 17 17 GLN C C 362 176.370 176.370 178.193 -1.823 18297 2543 1 6 . 1 1 17 17 GLN CA C 362 58.547 58.547 59.522 -0.975 18297 2544 1 6 . 1 1 17 17 GLN CB C 362 29.442 29.442 28.689 0.753 18297 2545 1 6 . 1 1 17 17 GLN H H 362 8.766 8.766 7.580 1.186 18297 2546 1 6 . 1 1 18 18 GLU N N 363 116.341 116.341 118.975 -2.634 18297 2547 1 6 . 1 1 18 18 GLU HA H 363 4.201 4.201 4.105 0.096 18297 2548 1 6 . 1 1 18 18 GLU C C 363 180.135 180.135 179.317 0.818 18297 2549 1 6 . 1 1 18 18 GLU CA C 363 59.669 59.669 59.095 0.574 18297 2550 1 6 . 1 1 18 18 GLU CB C 363 29.870 29.870 28.895 0.975 18297 2551 1 6 . 1 1 18 18 GLU H H 363 7.783 7.783 8.375 -0.592 18297 2552 1 6 . 1 1 19 19 VAL N N 364 120.647 120.647 120.053 0.594 18297 2553 1 6 . 1 1 19 19 VAL HA H 364 3.421 3.421 3.225 0.196 18297 2554 1 6 . 1 1 19 19 VAL C C 364 177.380 177.380 178.264 -0.884 18297 2555 1 6 . 1 1 19 19 VAL CA C 364 65.433 65.433 65.995 -0.562 18297 2556 1 6 . 1 1 19 19 VAL CB C 364 30.964 30.964 31.154 -0.190 18297 2557 1 6 . 1 1 19 19 VAL H H 364 7.224 7.224 7.589 -0.365 18297 2558 1 6 . 1 1 20 20 LEU N N 365 120.743 120.743 119.155 1.588 18297 2559 1 6 . 1 1 20 20 LEU HA H 365 3.916 3.916 3.891 0.025 18297 2560 1 6 . 1 1 20 20 LEU C C 365 178.974 178.974 178.300 0.674 18297 2561 1 6 . 1 1 20 20 LEU CA C 365 58.612 58.612 58.351 0.261 18297 2562 1 6 . 1 1 20 20 LEU CB C 365 41.425 41.425 41.027 0.398 18297 2563 1 6 . 1 1 20 20 LEU H H 365 7.517 7.517 7.432 0.085 18297 2564 1 6 . 1 1 21 21 ASP N N 366 119.329 119.329 119.659 -0.330 18297 2565 1 6 . 1 1 21 21 ASP HA H 366 4.306 4.306 4.282 0.024 18297 2566 1 6 . 1 1 21 21 ASP C C 366 177.992 177.992 177.384 0.608 18297 2567 1 6 . 1 1 21 21 ASP CA C 366 57.405 57.405 57.387 0.018 18297 2568 1 6 . 1 1 21 21 ASP CB C 366 40.265 40.265 41.351 -1.086 18297 2569 1 6 . 1 1 21 21 ASP H H 366 8.805 8.805 8.041 0.764 18297 2570 1 6 . 1 1 22 22 TYR N N 367 121.643 121.643 119.304 2.339 18297 2571 1 6 . 1 1 22 22 TYR HA H 367 4.305 4.305 4.261 0.044 18297 2572 1 6 . 1 1 22 22 TYR C C 367 177.701 177.701 177.390 0.311 18297 2573 1 6 . 1 1 22 22 TYR CA C 367 61.777 61.777 60.399 1.378 18297 2574 1 6 . 1 1 22 22 TYR CB C 367 38.801 38.801 39.065 -0.264 18297 2575 1 6 . 1 1 22 22 TYR H H 367 7.718 7.718 8.017 -0.299 18297 2576 1 6 . 1 1 23 23 LEU N N 368 118.414 118.414 119.099 -0.685 18297 2577 1 6 . 1 1 23 23 LEU HA H 368 3.910 3.910 4.084 -0.174 18297 2578 1 6 . 1 1 23 23 LEU C C 368 178.019 178.019 177.863 0.156 18297 2579 1 6 . 1 1 23 23 LEU CA C 368 57.773 57.773 57.449 0.324 18297 2580 1 6 . 1 1 23 23 LEU CB C 368 42.032 42.032 42.445 -0.413 18297 2581 1 6 . 1 1 23 23 LEU H H 368 8.060 8.060 7.822 0.238 18297 2582 1 6 . 1 1 24 24 THR N N 369 106.606 106.606 109.677 -3.071 18297 2583 1 6 . 1 1 24 24 THR HA H 369 4.507 4.507 4.350 0.157 18297 2584 1 6 . 1 1 24 24 THR C C 369 176.576 176.576 173.958 2.618 18297 2585 1 6 . 1 1 24 24 THR CA C 369 63.245 63.245 63.089 0.156 18297 2586 1 6 . 1 1 24 24 THR CB C 369 70.517 70.517 70.127 0.390 18297 2587 1 6 . 1 1 24 24 THR H H 369 8.017 8.017 7.560 0.457 18297 2588 1 6 . 1 1 25 25 ASN N N 370 118.847 118.847 118.855 -0.008 18297 2589 1 6 . 1 1 25 25 ASN HA H 370 4.846 4.846 4.924 -0.078 18297 2590 1 6 . 1 1 25 25 ASN C C 370 176.455 176.455 175.111 1.344 18297 2591 1 6 . 1 1 25 25 ASN CA C 370 53.944 53.944 52.393 1.551 18297 2592 1 6 . 1 1 25 25 ASN CB C 370 39.718 39.718 41.328 -1.610 18297 2593 1 6 . 1 1 25 25 ASN H H 370 8.149 8.149 8.371 -0.222 18297 2594 1 6 . 1 1 26 26 SER N N 371 116.888 116.888 118.169 -1.281 18297 2595 1 6 . 1 1 26 26 SER HA H 371 4.375 4.375 4.392 -0.017 18297 2596 1 6 . 1 1 26 26 SER C C 371 176.257 176.257 174.828 1.429 18297 2597 1 6 . 1 1 26 26 SER CA C 371 59.603 59.603 61.540 -1.937 18297 2598 1 6 . 1 1 26 26 SER CB C 371 63.792 63.792 63.610 0.182 18297 2599 1 6 . 1 1 26 26 SER H H 371 7.889 7.889 8.699 -0.810 18297 2600 1 6 . 1 1 27 27 ALA N N 372 128.743 128.743 121.908 6.835 18297 2601 1 6 . 1 1 27 27 ALA HA H 372 4.228 4.228 4.555 -0.327 18297 2602 1 6 . 1 1 27 27 ALA C C 372 178.538 178.538 179.917 -1.379 18297 2603 1 6 . 1 1 27 27 ALA CA C 372 54.491 54.491 54.291 0.200 18297 2604 1 6 . 1 1 27 27 ALA CB C 372 18.772 18.772 18.971 -0.199 18297 2605 1 6 . 1 1 27 27 ALA H H 372 8.836 8.836 7.973 0.863 18297 2606 1 6 . 1 1 28 28 SER N N 373 110.751 110.751 114.358 -3.607 18297 2607 1 6 . 1 1 28 28 SER HA H 373 4.426 4.426 4.323 0.103 18297 2608 1 6 . 1 1 28 28 SER C C 373 174.548 174.548 175.143 -0.595 18297 2609 1 6 . 1 1 28 28 SER CA C 373 59.415 59.415 60.058 -0.643 18297 2610 1 6 . 1 1 28 28 SER CB C 373 63.394 63.394 63.138 0.256 18297 2611 1 6 . 1 1 28 28 SER H H 373 8.069 8.069 8.307 -0.238 18297 2612 1 6 . 1 1 29 29 LEU N N 374 122.012 122.012 119.930 2.082 18297 2613 1 6 . 1 1 29 29 LEU HA H 374 4.465 4.465 4.473 -0.008 18297 2614 1 6 . 1 1 29 29 LEU C C 374 175.716 175.716 176.362 -0.646 18297 2615 1 6 . 1 1 29 29 LEU CA C 374 56.132 56.132 54.533 1.599 18297 2616 1 6 . 1 1 29 29 LEU CB C 374 44.295 44.295 41.547 2.748 18297 2617 1 6 . 1 1 29 29 LEU H H 374 7.547 7.547 7.702 -0.155 18297 2618 1 6 . 1 1 30 30 GLN N N 375 116.052 116.052 118.095 -2.043 18297 2619 1 6 . 1 1 30 30 GLN HA H 375 4.003 4.003 4.060 -0.057 18297 2620 1 6 . 1 1 30 30 GLN C C 375 175.498 175.498 177.402 -1.904 18297 2621 1 6 . 1 1 30 30 GLN CA C 375 56.434 56.434 58.309 -1.875 18297 2622 1 6 . 1 1 30 30 GLN CB C 375 27.948 27.948 28.862 -0.914 18297 2623 1 6 . 1 1 30 30 GLN H H 375 8.060 8.060 7.642 0.418 18297 2624 1 6 . 1 1 31 31 MET N N 376 117.691 117.691 110.343 7.348 18297 2625 1 6 . 1 1 31 31 MET HA H 376 4.283 4.283 4.675 -0.392 18297 2626 1 6 . 1 1 31 31 MET C C 376 175.843 175.843 176.271 -0.428 18297 2627 1 6 . 1 1 31 31 MET CA C 376 57.728 57.728 56.200 1.528 18297 2628 1 6 . 1 1 31 31 MET CB C 376 33.451 33.451 33.407 0.043 18297 2629 1 6 . 1 1 31 31 MET H H 376 8.211 8.211 7.851 0.360 18297 2630 1 6 . 1 1 32 32 LYS N N 377 122.028 122.028 120.433 1.595 18297 2631 1 6 . 1 1 32 32 LYS HA H 377 4.414 4.414 4.320 0.094 18297 2632 1 6 . 1 1 32 32 LYS C C 377 177.837 177.837 176.607 1.230 18297 2633 1 6 . 1 1 32 32 LYS CA C 377 58.052 58.052 56.748 1.304 18297 2634 1 6 . 1 1 32 32 LYS CB C 377 34.994 34.994 32.201 2.793 18297 2635 1 6 . 1 1 32 32 LYS H H 377 9.461 9.461 8.009 1.452 18297 2636 1 6 . 1 1 33 33 SER N N 378 115.056 115.056 116.112 -1.056 18297 2637 1 6 . 1 1 33 33 SER HA H 378 4.650 4.650 4.472 0.178 18297 2638 1 6 . 1 1 33 33 SER C C 378 172.026 172.026 173.480 -1.454 18297 2639 1 6 . 1 1 33 33 SER CA C 378 55.038 55.038 56.001 -0.963 18297 2640 1 6 . 1 1 33 33 SER CB C 378 62.908 62.908 63.601 -0.693 18297 2641 1 6 . 1 1 33 33 SER H H 378 10.101 10.101 7.474 2.627 18297 2642 1 6 . 1 1 34 34 PRO HA H 379 5.043 5.043 4.589 0.454 18297 2643 1 6 . 1 1 34 34 PRO C C 379 175.422 175.422 174.869 0.553 18297 2644 1 6 . 1 1 34 34 PRO CA C 379 63.792 63.792 62.186 1.606 18297 2645 1 6 . 1 1 34 34 PRO CB C 379 33.703 33.703 32.567 1.136 18297 2646 1 6 . 1 1 35 35 ALA N N 380 121.498 121.498 122.463 -0.965 18297 2647 1 6 . 1 1 35 35 ALA HA H 380 5.137 5.137 3.892 1.245 18297 2648 1 6 . 1 1 35 35 ALA C C 380 177.313 177.313 175.503 1.810 18297 2649 1 6 . 1 1 35 35 ALA CA C 380 50.661 50.661 50.312 0.348 18297 2650 1 6 . 1 1 35 35 ALA CB C 380 22.118 22.118 21.842 0.276 18297 2651 1 6 . 1 1 35 35 ALA H H 380 8.894 8.894 8.704 0.190 18297 2652 1 6 . 1 1 36 36 ILE N N 381 120.470 120.470 125.405 -4.935 18297 2653 1 6 . 1 1 36 36 ILE HA H 381 4.967 4.967 4.891 0.076 18297 2654 1 6 . 1 1 36 36 ILE C C 381 175.314 175.314 175.282 0.032 18297 2655 1 6 . 1 1 36 36 ILE CA C 381 61.056 61.056 60.108 0.948 18297 2656 1 6 . 1 1 36 36 ILE CB C 381 41.364 41.364 39.708 1.656 18297 2657 1 6 . 1 1 36 36 ILE H H 381 9.038 9.038 8.588 0.450 18297 2658 1 6 . 1 1 37 37 THR N N 382 123.297 123.297 123.382 -0.085 18297 2659 1 6 . 1 1 37 37 THR HA H 382 5.252 5.252 4.812 0.440 18297 2660 1 6 . 1 1 37 37 THR C C 382 172.289 172.289 172.622 -0.333 18297 2661 1 6 . 1 1 37 37 THR CA C 382 60.977 60.977 61.102 -0.125 18297 2662 1 6 . 1 1 37 37 THR CB C 382 71.919 71.919 71.564 0.355 18297 2663 1 6 . 1 1 37 37 THR H H 382 9.363 9.363 8.493 0.870 18297 2664 1 6 . 1 1 38 38 ALA N N 383 123.340 123.340 128.677 -5.337 18297 2665 1 6 . 1 1 38 38 ALA HA H 383 4.935 4.935 4.948 -0.013 18297 2666 1 6 . 1 1 38 38 ALA C C 383 175.743 175.743 175.445 0.298 18297 2667 1 6 . 1 1 38 38 ALA CA C 383 51.147 51.147 50.999 0.148 18297 2668 1 6 . 1 1 38 38 ALA CB C 383 22.758 22.758 22.569 0.189 18297 2669 1 6 . 1 1 38 38 ALA H H 383 8.896 8.896 8.480 0.416 18297 2670 1 6 . 1 1 39 39 THR N N 384 118.815 118.815 119.924 -1.109 18297 2671 1 6 . 1 1 39 39 THR HA H 384 4.892 4.892 5.184 -0.292 18297 2672 1 6 . 1 1 39 39 THR C C 384 174.098 174.098 173.733 0.365 18297 2673 1 6 . 1 1 39 39 THR CA C 384 62.310 62.310 62.440 -0.130 18297 2674 1 6 . 1 1 39 39 THR CB C 384 69.263 69.263 69.591 -0.328 18297 2675 1 6 . 1 1 39 39 THR H H 384 8.968 8.968 8.551 0.417 18297 2676 1 6 . 1 1 40 40 LEU N N 385 128.711 128.711 127.668 1.043 18297 2677 1 6 . 1 1 40 40 LEU HA H 385 4.791 4.791 4.779 0.012 18297 2678 1 6 . 1 1 40 40 LEU C C 385 176.479 176.479 176.283 0.196 18297 2679 1 6 . 1 1 40 40 LEU CA C 385 53.944 53.944 53.532 0.412 18297 2680 1 6 . 1 1 40 40 LEU CB C 385 44.966 44.966 45.374 -0.408 18297 2681 1 6 . 1 1 40 40 LEU H H 385 8.667 8.667 9.131 -0.464 18297 2682 1 6 . 1 1 41 41 GLU N N 386 124.470 124.470 126.699 -2.229 18297 2683 1 6 . 1 1 41 41 GLU HA H 386 3.936 3.936 3.914 0.022 18297 2684 1 6 . 1 1 41 41 GLU C C 386 176.878 176.878 176.278 0.600 18297 2685 1 6 . 1 1 41 41 GLU CA C 386 57.226 57.226 56.584 0.642 18297 2686 1 6 . 1 1 41 41 GLU CB C 386 27.735 27.735 29.117 -1.382 18297 2687 1 6 . 1 1 41 41 GLU H H 386 9.547 9.547 9.311 0.236 18297 2688 1 6 . 1 1 42 42 GLY N N 387 104.068 104.068 103.798 0.270 18297 2689 1 6 . 1 1 42 42 GLY C C 387 173.993 173.993 174.006 -0.013 18297 2690 1 6 . 1 1 42 42 GLY CA C 387 45.596 45.596 45.118 0.478 18297 2691 1 6 . 1 1 42 42 GLY H H 387 8.578 8.578 8.307 0.271 18297 2692 1 6 . 1 1 43 43 LYS N N 388 120.422 120.422 121.783 -1.361 18297 2693 1 6 . 1 1 43 43 LYS HA H 388 4.701 4.701 4.454 0.247 18297 2694 1 6 . 1 1 43 43 LYS C C 388 175.054 175.054 174.940 0.114 18297 2695 1 6 . 1 1 43 43 LYS CA C 388 54.491 54.491 55.226 -0.735 18297 2696 1 6 . 1 1 43 43 LYS CB C 388 34.968 34.968 34.001 0.967 18297 2697 1 6 . 1 1 43 43 LYS H H 388 7.826 7.826 7.777 0.049 18297 2698 1 6 . 1 1 44 44 ASN N N 389 122.606 122.606 121.847 0.759 18297 2699 1 6 . 1 1 44 44 ASN HA H 389 4.895 4.895 4.972 -0.077 18297 2700 1 6 . 1 1 44 44 ASN C C 389 174.905 174.905 175.239 -0.334 18297 2701 1 6 . 1 1 44 44 ASN CA C 389 53.944 53.944 53.341 0.603 18297 2702 1 6 . 1 1 44 44 ASN CB C 389 39.229 39.229 39.353 -0.124 18297 2703 1 6 . 1 1 44 44 ASN H H 389 8.827 8.827 8.734 0.093 18297 2704 1 6 . 1 1 45 45 ARG N N 390 125.867 125.867 127.756 -1.889 18297 2705 1 6 . 1 1 45 45 ARG HA H 390 4.756 4.756 4.718 0.038 18297 2706 1 6 . 1 1 45 45 ARG C C 390 175.224 175.224 175.723 -0.499 18297 2707 1 6 . 1 1 45 45 ARG CA C 390 54.491 54.491 54.624 -0.133 18297 2708 1 6 . 1 1 45 45 ARG CB C 390 32.973 32.973 33.042 -0.070 18297 2709 1 6 . 1 1 45 45 ARG H H 390 9.220 9.220 9.026 0.194 18297 2710 1 6 . 1 1 46 46 THR N N 391 122.574 122.574 121.066 1.508 18297 2711 1 6 . 1 1 46 46 THR HA H 391 4.289 4.289 4.251 0.038 18297 2712 1 6 . 1 1 46 46 THR C C 391 174.010 174.010 173.864 0.146 18297 2713 1 6 . 1 1 46 46 THR CA C 391 63.509 63.509 64.029 -0.520 18297 2714 1 6 . 1 1 46 46 THR CB C 391 68.716 68.716 69.005 -0.289 18297 2715 1 6 . 1 1 46 46 THR H H 391 8.940 8.940 8.700 0.240 18297 2716 1 6 . 1 1 47 47 LEU N N 392 128.647 128.647 126.466 2.181 18297 2717 1 6 . 1 1 47 47 LEU HA H 392 4.339 4.339 4.573 -0.234 18297 2718 1 6 . 1 1 47 47 LEU C C 392 176.670 176.670 176.281 0.389 18297 2719 1 6 . 1 1 47 47 LEU CA C 392 56.132 56.132 56.130 0.002 18297 2720 1 6 . 1 1 47 47 LEU CB C 392 42.678 42.678 43.334 -0.656 18297 2721 1 6 . 1 1 47 47 LEU H H 392 9.096 9.096 8.432 0.664 18297 2722 1 6 . 1 1 48 48 TYR N N 393 113.514 113.514 117.358 -3.844 18297 2723 1 6 . 1 1 48 48 TYR HA H 393 4.618 4.618 4.539 0.079 18297 2724 1 6 . 1 1 48 48 TYR C C 393 173.455 173.455 175.513 -2.058 18297 2725 1 6 . 1 1 48 48 TYR CA C 393 59.415 59.415 58.088 1.327 18297 2726 1 6 . 1 1 48 48 TYR CB C 393 41.384 41.384 41.514 -0.130 18297 2727 1 6 . 1 1 48 48 TYR H H 393 7.562 7.562 7.572 -0.010 18297 2728 1 6 . 1 1 57 57 GLU N N 402 128.181 128.181 124.705 3.476 18297 2729 1 6 . 1 1 57 57 GLU H H 402 8.645 8.645 8.646 -0.001 18297 2730 1 6 . 1 1 58 58 ARG N N 403 117.080 117.080 126.341 -9.261 18297 2731 1 6 . 1 1 58 58 ARG HA H 403 4.302 4.302 4.536 -0.234 18297 2732 1 6 . 1 1 58 58 ARG CA C 403 58.321 58.321 54.780 3.541 18297 2733 1 6 . 1 1 58 58 ARG CB C 403 31.165 31.165 31.956 -0.790 18297 2734 1 6 . 1 1 58 58 ARG H H 403 8.278 8.278 7.941 0.337 18297 2735 1 6 . 1 1 59 59 THR N N 404 108.390 108.390 119.237 -10.847 18297 2736 1 6 . 1 1 59 59 THR HA H 404 4.932 4.932 4.290 0.642 18297 2737 1 6 . 1 1 59 59 THR H H 404 8.301 8.301 8.568 -0.267 18297 2738 1 6 . 1 1 60 60 ARG N N 405 126.639 126.639 119.484 7.155 18297 2739 1 6 . 1 1 60 60 ARG H H 405 8.549 8.549 7.901 0.648 18297 2740 1 6 . 1 1 61 61 PRO HA H 406 4.431 4.431 4.209 0.222 18297 2741 1 6 . 1 1 61 61 PRO C C 406 178.434 178.434 177.752 0.682 18297 2742 1 6 . 1 1 61 61 PRO CA C 406 65.980 65.980 65.077 0.903 18297 2743 1 6 . 1 1 61 61 PRO CB C 406 31.348 31.348 31.818 -0.470 18297 2744 1 6 . 1 1 62 62 ASN N N 407 114.574 114.574 116.600 -2.026 18297 2745 1 6 . 1 1 62 62 ASN HA H 407 4.390 4.390 4.431 -0.041 18297 2746 1 6 . 1 1 62 62 ASN C C 407 177.863 177.863 177.270 0.593 18297 2747 1 6 . 1 1 62 62 ASN CA C 407 55.308 55.308 56.672 -1.364 18297 2748 1 6 . 1 1 62 62 ASN CB C 407 37.530 37.530 37.840 -0.310 18297 2749 1 6 . 1 1 62 62 ASN H H 407 8.481 8.481 8.447 0.034 18297 2750 1 6 . 1 1 63 63 LEU N N 408 115.667 115.667 117.776 -2.109 18297 2751 1 6 . 1 1 63 63 LEU HA H 408 3.861 3.861 4.123 -0.262 18297 2752 1 6 . 1 1 63 63 LEU C C 408 177.708 177.708 178.928 -1.220 18297 2753 1 6 . 1 1 63 63 LEU CA C 408 57.667 57.667 57.120 0.547 18297 2754 1 6 . 1 1 63 63 LEU CB C 408 41.706 41.706 41.844 -0.138 18297 2755 1 6 . 1 1 63 63 LEU H H 408 8.022 8.022 7.485 0.537 18297 2756 1 6 . 1 1 64 64 SER N N 409 109.209 109.209 113.665 -4.456 18297 2757 1 6 . 1 1 64 64 SER HA H 409 4.588 4.588 4.410 0.178 18297 2758 1 6 . 1 1 64 64 SER C C 409 173.870 173.870 174.446 -0.576 18297 2759 1 6 . 1 1 64 64 SER CA C 409 58.321 58.321 59.323 -1.002 18297 2760 1 6 . 1 1 64 64 SER CB C 409 63.855 63.855 63.733 0.122 18297 2761 1 6 . 1 1 64 64 SER H H 409 7.232 7.232 7.843 -0.611 18297 2762 1 6 . 1 1 65 65 LYS N N 410 122.735 122.735 120.738 1.997 18297 2763 1 6 . 1 1 65 65 LYS HA H 410 4.609 4.609 4.448 0.161 18297 2764 1 6 . 1 1 65 65 LYS C C 410 175.946 175.946 176.239 -0.293 18297 2765 1 6 . 1 1 65 65 LYS CA C 410 55.463 55.463 55.994 -0.531 18297 2766 1 6 . 1 1 65 65 LYS CB C 410 34.422 34.422 33.905 0.517 18297 2767 1 6 . 1 1 65 65 LYS H H 410 7.543 7.543 7.611 -0.068 18297 2768 1 6 . 1 1 66 66 THR N N 411 110.944 110.944 111.376 -0.432 18297 2769 1 6 . 1 1 66 66 THR HA H 411 5.003 5.003 4.750 0.253 18297 2770 1 6 . 1 1 66 66 THR C C 411 176.038 176.038 176.399 -0.361 18297 2771 1 6 . 1 1 66 66 THR CA C 411 60.221 60.221 60.567 -0.346 18297 2772 1 6 . 1 1 66 66 THR CB C 411 70.956 70.956 70.704 0.252 18297 2773 1 6 . 1 1 66 66 THR H H 411 8.980 8.980 9.213 -0.233 18297 2774 1 6 . 1 1 67 67 LEU N N 412 118.076 118.076 120.982 -2.906 18297 2775 1 6 . 1 1 67 67 LEU HA H 412 3.961 3.961 4.026 -0.065 18297 2776 1 6 . 1 1 67 67 LEU C C 412 179.227 179.227 178.720 0.507 18297 2777 1 6 . 1 1 67 67 LEU CA C 412 58.321 58.321 58.401 -0.080 18297 2778 1 6 . 1 1 67 67 LEU CB C 412 39.914 39.914 41.550 -1.636 18297 2779 1 6 . 1 1 67 67 LEU H H 412 8.434 8.434 8.881 -0.447 18297 2780 1 6 . 1 1 68 68 LYS N N 413 116.373 116.373 119.593 -3.220 18297 2781 1 6 . 1 1 68 68 LYS HA H 413 4.285 4.285 3.840 0.445 18297 2782 1 6 . 1 1 68 68 LYS C C 413 181.338 181.338 179.348 1.990 18297 2783 1 6 . 1 1 68 68 LYS CA C 413 58.868 58.868 59.258 -0.390 18297 2784 1 6 . 1 1 68 68 LYS CB C 413 32.606 32.606 32.196 0.410 18297 2785 1 6 . 1 1 68 68 LYS H H 413 8.171 8.171 7.558 0.613 18297 2786 1 6 . 1 1 69 69 GLU N N 414 123.731 123.731 118.511 5.220 18297 2787 1 6 . 1 1 69 69 GLU HA H 414 4.072 4.072 4.084 -0.012 18297 2788 1 6 . 1 1 69 69 GLU C C 414 179.202 179.202 177.842 1.360 18297 2789 1 6 . 1 1 69 69 GLU CA C 414 58.868 58.868 58.440 0.428 18297 2790 1 6 . 1 1 69 69 GLU CB C 414 29.566 29.566 29.476 0.090 18297 2791 1 6 . 1 1 69 69 GLU H H 414 8.326 8.326 7.734 0.592 18297 2792 1 6 . 1 1 70 70 LEU N N 415 119.008 119.008 116.479 2.529 18297 2793 1 6 . 1 1 70 70 LEU HA H 415 4.218 4.218 4.245 -0.027 18297 2794 1 6 . 1 1 70 70 LEU C C 415 176.505 176.505 177.416 -0.911 18297 2795 1 6 . 1 1 70 70 LEU CA C 415 55.822 55.822 54.961 0.861 18297 2796 1 6 . 1 1 70 70 LEU CB C 415 43.012 43.012 42.223 0.789 18297 2797 1 6 . 1 1 70 70 LEU H H 415 7.993 7.993 7.161 0.832 18297 2798 1 6 . 1 1 71 71 GLY N N 416 105.578 105.578 105.847 -0.269 18297 2799 1 6 . 1 1 71 71 GLY C C 416 174.505 174.505 174.435 0.070 18297 2800 1 6 . 1 1 71 71 GLY CA C 416 45.191 45.191 45.132 0.059 18297 2801 1 6 . 1 1 71 71 GLY H H 416 7.880 7.880 7.484 0.396 18297 2802 1 6 . 1 1 72 72 LEU N N 417 119.201 119.201 121.445 -2.244 18297 2803 1 6 . 1 1 72 72 LEU HA H 417 4.599 4.599 4.716 -0.117 18297 2804 1 6 . 1 1 72 72 LEU C C 417 176.208 176.208 176.367 -0.159 18297 2805 1 6 . 1 1 72 72 LEU CA C 417 54.815 54.815 54.678 0.137 18297 2806 1 6 . 1 1 72 72 LEU CB C 417 41.867 41.867 42.829 -0.962 18297 2807 1 6 . 1 1 72 72 LEU H H 417 7.466 7.466 7.412 0.054 18297 2808 1 6 . 1 1 73 73 VAL N N 418 112.871 112.871 119.811 -6.940 18297 2809 1 6 . 1 1 73 73 VAL HA H 418 4.782 4.782 4.571 0.211 18297 2810 1 6 . 1 1 73 73 VAL C C 418 174.804 174.804 174.754 0.050 18297 2811 1 6 . 1 1 73 73 VAL CA C 418 59.070 59.070 58.816 0.254 18297 2812 1 6 . 1 1 73 73 VAL CB C 418 35.557 35.557 35.982 -0.425 18297 2813 1 6 . 1 1 73 73 VAL H H 418 8.003 8.003 8.199 -0.196 18297 2814 1 6 . 1 1 74 74 ASP N N 419 119.972 119.972 122.116 -2.144 18297 2815 1 6 . 1 1 74 74 ASP HA H 419 3.593 3.593 4.793 -1.200 18297 2816 1 6 . 1 1 74 74 ASP C C 419 177.545 177.545 176.864 0.681 18297 2817 1 6 . 1 1 74 74 ASP CA C 419 56.419 56.419 54.742 1.677 18297 2818 1 6 . 1 1 74 74 ASP CB C 419 42.035 42.035 40.847 1.188 18297 2819 1 6 . 1 1 74 74 ASP H H 419 8.250 8.250 8.633 -0.383 18297 2820 1 6 . 1 1 75 75 GLY N N 420 116.020 116.020 112.399 3.621 18297 2821 1 6 . 1 1 75 75 GLY C C 420 173.763 173.763 174.197 -0.434 18297 2822 1 6 . 1 1 75 75 GLY CA C 420 45.354 45.354 44.750 0.604 18297 2823 1 6 . 1 1 75 75 GLY H H 420 8.704 8.704 8.420 0.284 18297 2824 1 6 . 1 1 76 76 GLN N N 421 121.514 121.514 121.317 0.197 18297 2825 1 6 . 1 1 76 76 GLN HA H 421 4.048 4.048 4.301 -0.253 18297 2826 1 6 . 1 1 76 76 GLN C C 421 175.023 175.023 175.098 -0.075 18297 2827 1 6 . 1 1 76 76 GLN CA C 421 56.709 56.709 55.890 0.819 18297 2828 1 6 . 1 1 76 76 GLN CB C 421 29.511 29.511 30.082 -0.572 18297 2829 1 6 . 1 1 76 76 GLN H H 421 7.867 7.867 7.405 0.462 18297 2830 1 6 . 1 1 77 77 GLU N N 422 123.859 123.859 124.975 -1.116 18297 2831 1 6 . 1 1 77 77 GLU HA H 422 5.186 5.186 4.914 0.272 18297 2832 1 6 . 1 1 77 77 GLU C C 422 176.877 176.877 175.735 1.142 18297 2833 1 6 . 1 1 77 77 GLU CA C 422 55.786 55.786 55.814 -0.028 18297 2834 1 6 . 1 1 77 77 GLU CB C 422 31.509 31.509 30.610 0.899 18297 2835 1 6 . 1 1 77 77 GLU H H 422 8.568 8.568 8.658 -0.090 18297 2836 1 6 . 1 1 78 78 LEU N N 423 125.867 125.867 125.350 0.517 18297 2837 1 6 . 1 1 78 78 LEU HA H 423 5.080 5.080 4.590 0.490 18297 2838 1 6 . 1 1 78 78 LEU C C 423 174.470 174.470 175.700 -1.230 18297 2839 1 6 . 1 1 78 78 LEU CA C 423 53.686 53.686 52.892 0.794 18297 2840 1 6 . 1 1 78 78 LEU CB C 423 44.966 44.966 43.197 1.770 18297 2841 1 6 . 1 1 78 78 LEU H H 423 9.313 9.313 9.163 0.150 18297 2842 1 6 . 1 1 79 79 ALA N N 424 126.044 126.044 126.961 -0.917 18297 2843 1 6 . 1 1 79 79 ALA HA H 424 5.206 5.206 4.662 0.544 18297 2844 1 6 . 1 1 79 79 ALA C C 424 176.786 176.786 175.607 1.179 18297 2845 1 6 . 1 1 79 79 ALA CA C 424 51.049 51.049 50.962 0.087 18297 2846 1 6 . 1 1 79 79 ALA CB C 424 20.453 20.453 20.142 0.311 18297 2847 1 6 . 1 1 79 79 ALA H H 424 8.918 8.918 8.405 0.513 18297 2848 1 6 . 1 1 80 80 VAL N N 425 124.759 124.759 125.110 -0.351 18297 2849 1 6 . 1 1 80 80 VAL HA H 425 5.344 5.344 4.889 0.455 18297 2850 1 6 . 1 1 80 80 VAL C C 425 173.757 173.757 174.383 -0.626 18297 2851 1 6 . 1 1 80 80 VAL CA C 425 60.886 60.886 60.558 0.328 18297 2852 1 6 . 1 1 80 80 VAL CB C 425 34.908 34.908 33.890 1.018 18297 2853 1 6 . 1 1 80 80 VAL H H 425 9.357 9.357 8.476 0.881 18297 2854 1 6 . 1 1 81 81 ALA N N 426 129.353 129.353 129.816 -0.463 18297 2855 1 6 . 1 1 81 81 ALA HA H 426 5.045 5.045 4.815 0.230 18297 2856 1 6 . 1 1 81 81 ALA C C 426 175.938 175.938 175.052 0.886 18297 2857 1 6 . 1 1 81 81 ALA CA C 426 50.133 50.133 50.549 -0.416 18297 2858 1 6 . 1 1 81 81 ALA CB C 426 22.758 22.758 22.798 -0.040 18297 2859 1 6 . 1 1 81 81 ALA H H 426 8.502 8.502 8.883 -0.381 18297 2860 1 6 . 1 1 82 82 ASP N N 427 120.165 120.165 122.544 -2.379 18297 2861 1 6 . 1 1 82 82 ASP HA H 427 5.100 5.100 4.921 0.179 18297 2862 1 6 . 1 1 82 82 ASP C C 427 176.669 176.669 175.724 0.945 18297 2863 1 6 . 1 1 82 82 ASP CA C 427 54.491 54.491 53.350 1.141 18297 2864 1 6 . 1 1 82 82 ASP CB C 427 46.891 46.891 43.741 3.150 18297 2865 1 6 . 1 1 82 82 ASP H H 427 8.906 8.906 8.064 0.842 18297 2866 1 6 . 1 1 83 83 VAL N N 428 119.201 119.201 119.570 -0.369 18297 2867 1 6 . 1 1 83 83 VAL HA H 428 4.153 4.153 3.999 0.154 18297 2868 1 6 . 1 1 83 83 VAL C C 428 177.085 177.085 176.704 0.381 18297 2869 1 6 . 1 1 83 83 VAL CA C 428 63.992 63.992 63.522 0.470 18297 2870 1 6 . 1 1 83 83 VAL CB C 428 31.772 31.772 32.170 -0.398 18297 2871 1 6 . 1 1 83 83 VAL H H 428 8.114 8.114 8.764 -0.650 18297 2872 1 6 . 1 1 84 84 THR N N 429 110.173 110.173 114.627 -4.454 18297 2873 1 6 . 1 1 84 84 THR HA H 429 4.235 4.235 4.311 -0.076 18297 2874 1 6 . 1 1 84 84 THR C C 429 174.905 174.905 174.129 0.776 18297 2875 1 6 . 1 1 84 84 THR CA C 429 63.533 63.533 63.822 -0.289 18297 2876 1 6 . 1 1 84 84 THR CB C 429 70.613 70.613 69.337 1.276 18297 2877 1 6 . 1 1 84 84 THR H H 429 7.899 7.899 8.245 -0.346 18297 2878 1 6 . 1 1 85 85 THR N N 430 116.438 116.438 112.848 3.590 18297 2879 1 6 . 1 1 85 85 THR HA H 430 5.132 5.132 4.723 0.409 18297 2880 1 6 . 1 1 85 85 THR C C 430 173.160 173.160 173.281 -0.121 18297 2881 1 6 . 1 1 85 85 THR CA C 430 57.863 57.863 58.091 -0.228 18297 2882 1 6 . 1 1 85 85 THR CB C 430 71.050 71.050 70.736 0.314 18297 2883 1 6 . 1 1 85 85 THR H H 430 7.810 7.810 7.337 0.473 18297 2884 1 6 . 1 1 86 86 PRO HA H 431 4.582 4.582 4.438 0.144 18297 2885 1 6 . 1 1 86 86 PRO CA C 431 64.086 64.086 63.627 0.459 18297 2886 1 6 . 1 1 86 86 PRO CB C 431 31.995 31.995 32.350 -0.355 18297 2887 1 6 . 1 1 87 87 GLN N N 432 117.241 117.241 118.882 -1.641 18297 2888 1 6 . 1 1 87 87 GLN HA H 432 4.618 4.618 4.471 0.147 18297 2889 1 6 . 1 1 87 87 GLN C C 432 175.653 175.653 174.867 0.786 18297 2890 1 6 . 1 1 87 87 GLN CA C 432 54.491 54.491 54.727 -0.236 18297 2891 1 6 . 1 1 87 87 GLN CB C 432 30.799 30.799 30.402 0.397 18297 2892 1 6 . 1 1 87 87 GLN H H 432 7.786 7.786 7.642 0.144 18297 2893 1 6 . 1 1 88 88 THR N N 433 119.651 119.651 118.135 1.516 18297 2894 1 6 . 1 1 88 88 THR HA H 433 4.440 4.440 4.490 -0.050 18297 2895 1 6 . 1 1 88 88 THR C C 433 173.939 173.939 174.467 -0.528 18297 2896 1 6 . 1 1 88 88 THR CA C 433 63.792 63.792 61.963 1.829 18297 2897 1 6 . 1 1 88 88 THR CB C 433 70.357 70.357 69.673 0.684 18297 2898 1 6 . 1 1 88 88 THR H H 433 8.460 8.460 8.397 0.063 18297 2899 1 6 . 1 1 89 89 VAL N N 434 128.068 128.068 129.181 -1.113 18297 2900 1 6 . 1 1 89 89 VAL HA H 434 4.153 4.153 4.258 -0.105 18297 2901 1 6 . 1 1 89 89 VAL C C 434 174.083 174.083 174.348 -0.265 18297 2902 1 6 . 1 1 89 89 VAL CA C 434 61.827 61.827 61.001 0.826 18297 2903 1 6 . 1 1 89 89 VAL CB C 434 33.937 33.937 34.471 -0.534 18297 2904 1 6 . 1 1 89 89 VAL H H 434 9.275 9.275 8.944 0.331 18297 2905 1 6 . 1 1 90 90 LEU N N 435 125.755 125.755 125.552 0.203 18297 2906 1 6 . 1 1 90 90 LEU HA H 435 5.304 5.304 5.271 0.033 18297 2907 1 6 . 1 1 90 90 LEU C C 435 176.455 176.455 176.201 0.254 18297 2908 1 6 . 1 1 90 90 LEU CA C 435 53.396 53.396 53.412 -0.016 18297 2909 1 6 . 1 1 90 90 LEU CB C 435 44.023 44.023 41.850 2.173 18297 2910 1 6 . 1 1 90 90 LEU H H 435 8.169 8.169 8.589 -0.420 18297 2911 1 6 . 1 1 91 91 PHE N N 436 120.743 120.743 123.220 -2.477 18297 2912 1 6 . 1 1 91 91 PHE HA H 436 5.314 5.314 5.605 -0.291 18297 2913 1 6 . 1 1 91 91 PHE C C 436 174.788 174.788 175.195 -0.407 18297 2914 1 6 . 1 1 91 91 PHE CA C 436 56.327 56.327 56.126 0.201 18297 2915 1 6 . 1 1 91 91 PHE CB C 436 43.330 43.330 43.128 0.202 18297 2916 1 6 . 1 1 91 91 PHE H H 436 9.222 9.222 9.273 -0.051 18297 2917 1 6 . 1 1 92 92 LYS N N 437 123.120 123.120 121.578 1.542 18297 2918 1 6 . 1 1 92 92 LYS HA H 437 4.708 4.708 5.389 -0.681 18297 2919 1 6 . 1 1 92 92 LYS C C 437 174.606 174.606 175.065 -0.459 18297 2920 1 6 . 1 1 92 92 LYS CA C 437 55.139 55.139 54.965 0.174 18297 2921 1 6 . 1 1 92 92 LYS CB C 437 34.269 34.269 35.304 -1.035 18297 2922 1 6 . 1 1 92 92 LYS H H 437 8.908 8.908 9.319 -0.411 18297 2923 1 6 . 1 1 93 93 LEU N N 438 128.422 128.422 126.702 1.720 18297 2924 1 6 . 1 1 93 93 LEU HA H 438 4.480 4.480 4.878 -0.398 18297 2925 1 6 . 1 1 93 93 LEU C C 438 175.327 175.327 174.588 0.739 18297 2926 1 6 . 1 1 93 93 LEU CA C 438 55.139 55.139 53.589 1.550 18297 2927 1 6 . 1 1 93 93 LEU CB C 438 43.976 43.976 43.850 0.126 18297 2928 1 6 . 1 1 93 93 LEU H H 438 8.755 8.755 8.210 0.545 18297 2929 1 6 . 1 1 94 94 HIS N N 439 123.859 123.859 126.601 -2.742 18297 2930 1 6 . 1 1 94 94 HIS HA H 439 5.180 5.180 4.813 0.367 18297 2931 1 6 . 1 1 94 94 HIS C C 439 174.297 174.297 173.655 0.642 18297 2932 1 6 . 1 1 94 94 HIS CA C 439 53.396 53.396 54.253 -0.857 18297 2933 1 6 . 1 1 94 94 HIS CB C 439 30.786 30.786 32.624 -1.838 18297 2934 1 6 . 1 1 94 94 HIS H H 439 8.891 8.891 9.296 -0.405 18297 2935 1 6 . 1 1 95 95 PHE N N 440 123.544 123.544 122.197 1.347 18297 2936 1 6 . 1 1 95 95 PHE HA H 440 6.231 6.231 5.704 0.527 18297 2937 1 6 . 1 1 95 95 PHE C C 440 178.229 178.229 177.296 0.933 18297 2938 1 6 . 1 1 95 95 PHE CA C 440 53.690 53.690 56.373 -2.683 18297 2939 1 6 . 1 1 95 95 PHE CB C 440 39.477 39.477 40.750 -1.273 18297 2940 1 6 . 1 1 95 95 PHE H H 440 8.896 8.896 8.851 0.045 18297 2941 1 6 . 1 1 96 96 THR N N 441 114.382 114.382 117.537 -3.155 18297 2942 1 6 . 1 1 96 96 THR HA H 441 4.617 4.617 4.534 0.083 18297 2943 1 6 . 1 1 96 96 THR C C 441 173.867 173.867 174.838 -0.971 18297 2944 1 6 . 1 1 96 96 THR CA C 441 61.327 61.327 61.974 -0.647 18297 2945 1 6 . 1 1 96 96 THR CB C 441 69.561 69.561 69.600 -0.039 18297 2946 1 6 . 1 1 96 96 THR H H 441 7.973 7.973 8.351 -0.378 18297 2947 1 7 . 1 1 2 2 SER HA H 347 4.570 4.570 4.682 -0.112 18297 2948 1 7 . 1 1 2 2 SER C C 347 174.335 174.335 174.761 -0.426 18297 2949 1 7 . 1 1 2 2 SER CA C 347 58.350 58.350 57.671 0.679 18297 2950 1 7 . 1 1 2 2 SER CB C 347 63.999 63.999 64.737 -0.738 18297 2951 1 7 . 1 1 3 3 GLN N N 348 122.478 122.478 120.706 1.772 18297 2952 1 7 . 1 1 3 3 GLN HA H 348 4.430 4.430 4.484 -0.054 18297 2953 1 7 . 1 1 3 3 GLN C C 348 175.651 175.651 176.037 -0.386 18297 2954 1 7 . 1 1 3 3 GLN CA C 348 55.743 55.743 55.350 0.393 18297 2955 1 7 . 1 1 3 3 GLN CB C 348 29.750 29.750 29.420 0.330 18297 2956 1 7 . 1 1 3 3 GLN H H 348 8.532 8.532 8.659 -0.127 18297 2957 1 7 . 1 1 4 4 LEU N N 349 125.369 125.369 118.946 6.423 18297 2958 1 7 . 1 1 4 4 LEU HA H 349 4.634 4.634 4.623 0.011 18297 2959 1 7 . 1 1 4 4 LEU C C 349 175.324 175.324 174.419 0.905 18297 2960 1 7 . 1 1 4 4 LEU CA C 349 53.197 53.197 51.766 1.431 18297 2961 1 7 . 1 1 4 4 LEU CB C 349 41.867 41.867 40.888 0.979 18297 2962 1 7 . 1 1 4 4 LEU H H 349 8.403 8.403 7.477 0.926 18297 2963 1 7 . 1 1 5 5 PRO HA H 350 4.360 4.360 4.625 -0.265 18297 2964 1 7 . 1 1 5 5 PRO C C 350 176.639 176.639 175.734 0.905 18297 2965 1 7 . 1 1 5 5 PRO CA C 350 62.748 62.748 62.405 0.343 18297 2966 1 7 . 1 1 5 5 PRO CB C 350 32.319 32.319 32.679 -0.360 18297 2967 1 7 . 1 1 6 6 GLN N N 351 121.707 121.707 123.564 -1.857 18297 2968 1 7 . 1 1 6 6 GLN HA H 351 4.428 4.428 4.522 -0.094 18297 2969 1 7 . 1 1 6 6 GLN C C 351 175.898 175.898 174.450 1.448 18297 2970 1 7 . 1 1 6 6 GLN CA C 351 55.678 55.678 54.524 1.154 18297 2971 1 7 . 1 1 6 6 GLN CB C 351 30.054 30.054 31.929 -1.875 18297 2972 1 7 . 1 1 6 6 GLN H H 351 8.255 8.255 8.190 0.065 18297 2973 1 7 . 1 1 7 7 ASN N N 352 123.275 123.275 122.875 0.400 18297 2974 1 7 . 1 1 7 7 ASN HA H 352 5.470 5.470 5.590 -0.120 18297 2975 1 7 . 1 1 7 7 ASN C C 352 175.324 175.324 175.320 0.004 18297 2976 1 7 . 1 1 7 7 ASN CA C 352 54.009 54.009 52.487 1.522 18297 2977 1 7 . 1 1 7 7 ASN CB C 352 40.414 40.414 40.485 -0.071 18297 2978 1 7 . 1 1 7 7 ASN H H 352 8.860 8.860 8.624 0.236 18297 2979 1 7 . 1 1 8 8 ILE N N 353 119.104 119.104 115.104 4.000 18297 2980 1 7 . 1 1 8 8 ILE HA H 353 4.625 4.625 4.687 -0.062 18297 2981 1 7 . 1 1 8 8 ILE C C 353 173.669 173.669 173.759 -0.090 18297 2982 1 7 . 1 1 8 8 ILE CA C 353 60.201 60.201 59.384 0.817 18297 2983 1 7 . 1 1 8 8 ILE CB C 353 41.404 41.404 41.982 -0.578 18297 2984 1 7 . 1 1 8 8 ILE H H 353 8.808 8.808 9.147 -0.339 18297 2985 1 7 . 1 1 9 9 GLN N N 354 122.671 122.671 124.234 -1.563 18297 2986 1 7 . 1 1 9 9 GLN HA H 354 5.586 5.586 5.344 0.242 18297 2987 1 7 . 1 1 9 9 GLN C C 354 174.274 174.274 174.271 0.003 18297 2988 1 7 . 1 1 9 9 GLN CA C 354 54.491 54.491 54.119 0.372 18297 2989 1 7 . 1 1 9 9 GLN CB C 354 31.120 31.120 31.178 -0.058 18297 2990 1 7 . 1 1 9 9 GLN H H 354 8.021 8.021 8.340 -0.319 18297 2991 1 7 . 1 1 10 10 PHE N N 355 120.679 120.679 125.473 -4.794 18297 2992 1 7 . 1 1 10 10 PHE HA H 355 4.635 4.635 4.749 -0.114 18297 2993 1 7 . 1 1 10 10 PHE C C 355 174.715 174.715 174.271 0.444 18297 2994 1 7 . 1 1 10 10 PHE CA C 355 57.226 57.226 56.604 0.622 18297 2995 1 7 . 1 1 10 10 PHE CB C 355 45.969 45.969 43.639 2.330 18297 2996 1 7 . 1 1 10 10 PHE H H 355 8.403 8.403 9.080 -0.677 18297 2997 1 7 . 1 1 11 11 SER N N 356 116.116 116.116 116.086 0.030 18297 2998 1 7 . 1 1 11 11 SER HA H 356 5.020 5.020 5.350 -0.330 18297 2999 1 7 . 1 1 11 11 SER C C 356 174.917 174.917 174.366 0.551 18297 3000 1 7 . 1 1 11 11 SER CA C 356 56.110 56.110 54.744 1.366 18297 3001 1 7 . 1 1 11 11 SER CB C 356 63.879 63.879 64.236 -0.357 18297 3002 1 7 . 1 1 11 11 SER H H 356 8.757 8.757 8.687 0.070 18297 3003 1 7 . 1 1 12 12 PRO HA H 357 3.776 3.776 4.351 -0.575 18297 3004 1 7 . 1 1 12 12 PRO C C 357 176.155 176.155 177.282 -1.127 18297 3005 1 7 . 1 1 12 12 PRO CA C 357 64.886 64.886 64.880 0.006 18297 3006 1 7 . 1 1 12 12 PRO CB C 357 31.222 31.222 31.675 -0.453 18297 3007 1 7 . 1 1 13 13 SER N N 358 107.859 107.859 113.349 -5.490 18297 3008 1 7 . 1 1 13 13 SER HA H 358 4.388 4.388 4.439 -0.051 18297 3009 1 7 . 1 1 13 13 SER C C 358 173.972 173.972 173.856 0.116 18297 3010 1 7 . 1 1 13 13 SER CA C 358 57.728 57.728 58.699 -0.971 18297 3011 1 7 . 1 1 13 13 SER CB C 358 63.879 63.879 63.200 0.679 18297 3012 1 7 . 1 1 13 13 SER H H 358 7.636 7.636 7.649 -0.013 18297 3013 1 7 . 1 1 14 14 ALA N N 359 126.012 126.012 124.421 1.591 18297 3014 1 7 . 1 1 14 14 ALA HA H 359 4.320 4.320 4.466 -0.146 18297 3015 1 7 . 1 1 14 14 ALA C C 359 177.288 177.288 176.077 1.211 18297 3016 1 7 . 1 1 14 14 ALA CA C 359 52.849 52.849 51.757 1.092 18297 3017 1 7 . 1 1 14 14 ALA CB C 359 19.372 19.372 20.084 -0.712 18297 3018 1 7 . 1 1 14 14 ALA H H 359 7.937 7.937 8.203 -0.266 18297 3019 1 7 . 1 1 15 15 LYS N N 360 119.699 119.699 122.282 -2.583 18297 3020 1 7 . 1 1 15 15 LYS HA H 360 4.751 4.751 4.618 0.133 18297 3021 1 7 . 1 1 15 15 LYS C C 360 179.638 179.638 177.558 2.080 18297 3022 1 7 . 1 1 15 15 LYS CA C 360 54.815 54.815 54.755 0.060 18297 3023 1 7 . 1 1 15 15 LYS CB C 360 33.127 33.127 32.995 0.132 18297 3024 1 7 . 1 1 15 15 LYS H H 360 8.523 8.523 9.253 -0.730 18297 3025 1 7 . 1 1 16 16 LEU N N 361 123.297 123.297 123.673 -0.376 18297 3026 1 7 . 1 1 16 16 LEU HA H 361 3.828 3.828 3.992 -0.164 18297 3027 1 7 . 1 1 16 16 LEU C C 361 178.714 178.714 178.024 0.690 18297 3028 1 7 . 1 1 16 16 LEU CA C 361 58.321 58.321 57.977 0.343 18297 3029 1 7 . 1 1 16 16 LEU CB C 361 40.240 40.240 41.874 -1.634 18297 3030 1 7 . 1 1 16 16 LEU H H 361 8.383 8.383 8.181 0.202 18297 3031 1 7 . 1 1 17 17 GLN N N 362 117.900 117.900 118.832 -0.932 18297 3032 1 7 . 1 1 17 17 GLN HA H 362 3.621 3.621 3.879 -0.258 18297 3033 1 7 . 1 1 17 17 GLN C C 362 176.370 176.370 177.946 -1.576 18297 3034 1 7 . 1 1 17 17 GLN CA C 362 58.547 58.547 59.542 -0.995 18297 3035 1 7 . 1 1 17 17 GLN CB C 362 29.442 29.442 28.695 0.747 18297 3036 1 7 . 1 1 17 17 GLN H H 362 8.766 8.766 7.643 1.123 18297 3037 1 7 . 1 1 18 18 GLU N N 363 116.341 116.341 118.291 -1.950 18297 3038 1 7 . 1 1 18 18 GLU HA H 363 4.201 4.201 4.346 -0.145 18297 3039 1 7 . 1 1 18 18 GLU C C 363 180.135 180.135 178.674 1.461 18297 3040 1 7 . 1 1 18 18 GLU CA C 363 59.669 59.669 58.862 0.807 18297 3041 1 7 . 1 1 18 18 GLU CB C 363 29.870 29.870 28.614 1.256 18297 3042 1 7 . 1 1 18 18 GLU H H 363 7.783 7.783 8.679 -0.896 18297 3043 1 7 . 1 1 19 19 VAL N N 364 120.647 120.647 119.937 0.710 18297 3044 1 7 . 1 1 19 19 VAL HA H 364 3.421 3.421 3.594 -0.173 18297 3045 1 7 . 1 1 19 19 VAL C C 364 177.380 177.380 177.924 -0.544 18297 3046 1 7 . 1 1 19 19 VAL CA C 364 65.433 65.433 65.535 -0.102 18297 3047 1 7 . 1 1 19 19 VAL CB C 364 30.964 30.964 31.164 -0.200 18297 3048 1 7 . 1 1 19 19 VAL H H 364 7.224 7.224 7.189 0.035 18297 3049 1 7 . 1 1 20 20 LEU N N 365 120.743 120.743 119.629 1.114 18297 3050 1 7 . 1 1 20 20 LEU HA H 365 3.916 3.916 3.937 -0.021 18297 3051 1 7 . 1 1 20 20 LEU C C 365 178.974 178.974 179.017 -0.043 18297 3052 1 7 . 1 1 20 20 LEU CA C 365 58.612 58.612 57.513 1.099 18297 3053 1 7 . 1 1 20 20 LEU CB C 365 41.425 41.425 40.537 0.888 18297 3054 1 7 . 1 1 20 20 LEU H H 365 7.517 7.517 7.357 0.160 18297 3055 1 7 . 1 1 21 21 ASP N N 366 119.329 119.329 118.809 0.520 18297 3056 1 7 . 1 1 21 21 ASP HA H 366 4.306 4.306 4.545 -0.239 18297 3057 1 7 . 1 1 21 21 ASP C C 366 177.992 177.992 179.452 -1.460 18297 3058 1 7 . 1 1 21 21 ASP CA C 366 57.405 57.405 57.344 0.061 18297 3059 1 7 . 1 1 21 21 ASP CB C 366 40.265 40.265 40.767 -0.502 18297 3060 1 7 . 1 1 21 21 ASP H H 366 8.805 8.805 7.845 0.960 18297 3061 1 7 . 1 1 22 22 TYR N N 367 121.643 121.643 119.856 1.787 18297 3062 1 7 . 1 1 22 22 TYR HA H 367 4.305 4.305 4.265 0.040 18297 3063 1 7 . 1 1 22 22 TYR C C 367 177.701 177.701 176.733 0.968 18297 3064 1 7 . 1 1 22 22 TYR CA C 367 61.777 61.777 60.569 1.208 18297 3065 1 7 . 1 1 22 22 TYR CB C 367 38.801 38.801 38.878 -0.077 18297 3066 1 7 . 1 1 22 22 TYR H H 367 7.718 7.718 7.843 -0.125 18297 3067 1 7 . 1 1 23 23 LEU N N 368 118.414 118.414 118.497 -0.083 18297 3068 1 7 . 1 1 23 23 LEU HA H 368 3.910 3.910 3.985 -0.075 18297 3069 1 7 . 1 1 23 23 LEU C C 368 178.019 178.019 178.148 -0.129 18297 3070 1 7 . 1 1 23 23 LEU CA C 368 57.773 57.773 57.142 0.631 18297 3071 1 7 . 1 1 23 23 LEU CB C 368 42.032 42.032 42.032 -0.000 18297 3072 1 7 . 1 1 23 23 LEU H H 368 8.060 8.060 7.510 0.550 18297 3073 1 7 . 1 1 24 24 THR N N 369 106.606 106.606 110.324 -3.718 18297 3074 1 7 . 1 1 24 24 THR HA H 369 4.507 4.507 4.341 0.166 18297 3075 1 7 . 1 1 24 24 THR C C 369 176.576 176.576 174.043 2.533 18297 3076 1 7 . 1 1 24 24 THR CA C 369 63.245 63.245 62.825 0.420 18297 3077 1 7 . 1 1 24 24 THR CB C 369 70.517 70.517 69.999 0.518 18297 3078 1 7 . 1 1 24 24 THR H H 369 8.017 8.017 7.618 0.399 18297 3079 1 7 . 1 1 25 25 ASN N N 370 118.847 118.847 119.810 -0.963 18297 3080 1 7 . 1 1 25 25 ASN HA H 370 4.846 4.846 4.912 -0.066 18297 3081 1 7 . 1 1 25 25 ASN C C 370 176.455 176.455 175.087 1.368 18297 3082 1 7 . 1 1 25 25 ASN CA C 370 53.944 53.944 52.421 1.523 18297 3083 1 7 . 1 1 25 25 ASN CB C 370 39.718 39.718 41.592 -1.874 18297 3084 1 7 . 1 1 25 25 ASN H H 370 8.149 8.149 8.391 -0.242 18297 3085 1 7 . 1 1 26 26 SER N N 371 116.888 116.888 118.975 -2.087 18297 3086 1 7 . 1 1 26 26 SER HA H 371 4.375 4.375 4.438 -0.063 18297 3087 1 7 . 1 1 26 26 SER C C 371 176.257 176.257 175.137 1.120 18297 3088 1 7 . 1 1 26 26 SER CA C 371 59.603 59.603 60.854 -1.251 18297 3089 1 7 . 1 1 26 26 SER CB C 371 63.792 63.792 63.309 0.483 18297 3090 1 7 . 1 1 26 26 SER H H 371 7.889 7.889 8.777 -0.888 18297 3091 1 7 . 1 1 27 27 ALA N N 372 128.743 128.743 121.547 7.196 18297 3092 1 7 . 1 1 27 27 ALA HA H 372 4.228 4.228 4.411 -0.183 18297 3093 1 7 . 1 1 27 27 ALA C C 372 178.538 178.538 179.445 -0.907 18297 3094 1 7 . 1 1 27 27 ALA CA C 372 54.491 54.491 54.256 0.235 18297 3095 1 7 . 1 1 27 27 ALA CB C 372 18.772 18.772 18.701 0.071 18297 3096 1 7 . 1 1 27 27 ALA H H 372 8.836 8.836 7.984 0.852 18297 3097 1 7 . 1 1 28 28 SER N N 373 110.751 110.751 114.389 -3.638 18297 3098 1 7 . 1 1 28 28 SER HA H 373 4.426 4.426 4.391 0.035 18297 3099 1 7 . 1 1 28 28 SER C C 373 174.548 174.548 175.326 -0.778 18297 3100 1 7 . 1 1 28 28 SER CA C 373 59.415 59.415 60.113 -0.698 18297 3101 1 7 . 1 1 28 28 SER CB C 373 63.394 63.394 62.935 0.459 18297 3102 1 7 . 1 1 28 28 SER H H 373 8.069 8.069 8.379 -0.310 18297 3103 1 7 . 1 1 29 29 LEU N N 374 122.012 122.012 118.880 3.132 18297 3104 1 7 . 1 1 29 29 LEU HA H 374 4.465 4.465 4.387 0.078 18297 3105 1 7 . 1 1 29 29 LEU C C 374 175.716 175.716 176.611 -0.895 18297 3106 1 7 . 1 1 29 29 LEU CA C 374 56.132 56.132 54.589 1.543 18297 3107 1 7 . 1 1 29 29 LEU CB C 374 44.295 44.295 41.907 2.388 18297 3108 1 7 . 1 1 29 29 LEU H H 374 7.547 7.547 7.794 -0.247 18297 3109 1 7 . 1 1 30 30 GLN N N 375 116.052 116.052 118.250 -2.198 18297 3110 1 7 . 1 1 30 30 GLN HA H 375 4.003 4.003 4.057 -0.054 18297 3111 1 7 . 1 1 30 30 GLN C C 375 175.498 175.498 177.862 -2.364 18297 3112 1 7 . 1 1 30 30 GLN CA C 375 56.434 56.434 58.106 -1.672 18297 3113 1 7 . 1 1 30 30 GLN CB C 375 27.948 27.948 28.281 -0.333 18297 3114 1 7 . 1 1 30 30 GLN H H 375 8.060 8.060 7.409 0.651 18297 3115 1 7 . 1 1 31 31 MET N N 376 117.691 117.691 116.804 0.887 18297 3116 1 7 . 1 1 31 31 MET HA H 376 4.283 4.283 4.546 -0.263 18297 3117 1 7 . 1 1 31 31 MET C C 376 175.843 175.843 177.385 -1.542 18297 3118 1 7 . 1 1 31 31 MET CA C 376 57.728 57.728 56.110 1.618 18297 3119 1 7 . 1 1 31 31 MET CB C 376 33.451 33.451 32.275 1.176 18297 3120 1 7 . 1 1 31 31 MET H H 376 8.211 8.211 8.207 0.004 18297 3121 1 7 . 1 1 32 32 LYS N N 377 122.028 122.028 118.105 3.923 18297 3122 1 7 . 1 1 32 32 LYS HA H 377 4.414 4.414 4.274 0.140 18297 3123 1 7 . 1 1 32 32 LYS C C 377 177.837 177.837 175.938 1.899 18297 3124 1 7 . 1 1 32 32 LYS CA C 377 58.052 58.052 56.176 1.876 18297 3125 1 7 . 1 1 32 32 LYS CB C 377 34.994 34.994 32.150 2.845 18297 3126 1 7 . 1 1 32 32 LYS H H 377 9.461 9.461 8.141 1.320 18297 3127 1 7 . 1 1 33 33 SER N N 378 115.056 115.056 116.150 -1.094 18297 3128 1 7 . 1 1 33 33 SER HA H 378 4.650 4.650 4.374 0.276 18297 3129 1 7 . 1 1 33 33 SER C C 378 172.026 172.026 173.347 -1.321 18297 3130 1 7 . 1 1 33 33 SER CA C 378 55.038 55.038 56.328 -1.290 18297 3131 1 7 . 1 1 33 33 SER CB C 378 62.908 62.908 63.561 -0.653 18297 3132 1 7 . 1 1 33 33 SER H H 378 10.101 10.101 7.482 2.619 18297 3133 1 7 . 1 1 34 34 PRO HA H 379 5.043 5.043 4.482 0.561 18297 3134 1 7 . 1 1 34 34 PRO C C 379 175.422 175.422 174.936 0.486 18297 3135 1 7 . 1 1 34 34 PRO CA C 379 63.792 63.792 62.401 1.391 18297 3136 1 7 . 1 1 34 34 PRO CB C 379 33.703 33.703 32.576 1.127 18297 3137 1 7 . 1 1 35 35 ALA N N 380 121.498 121.498 122.518 -1.020 18297 3138 1 7 . 1 1 35 35 ALA HA H 380 5.137 5.137 4.219 0.918 18297 3139 1 7 . 1 1 35 35 ALA C C 380 177.313 177.313 175.827 1.486 18297 3140 1 7 . 1 1 35 35 ALA CA C 380 50.661 50.661 50.247 0.414 18297 3141 1 7 . 1 1 35 35 ALA CB C 380 22.118 22.118 21.806 0.312 18297 3142 1 7 . 1 1 35 35 ALA H H 380 8.894 8.894 8.804 0.090 18297 3143 1 7 . 1 1 36 36 ILE N N 381 120.470 120.470 119.848 0.622 18297 3144 1 7 . 1 1 36 36 ILE HA H 381 4.967 4.967 5.320 -0.353 18297 3145 1 7 . 1 1 36 36 ILE C C 381 175.314 175.314 175.077 0.237 18297 3146 1 7 . 1 1 36 36 ILE CA C 381 61.056 61.056 59.483 1.573 18297 3147 1 7 . 1 1 36 36 ILE CB C 381 41.364 41.364 39.761 1.603 18297 3148 1 7 . 1 1 36 36 ILE H H 381 9.038 9.038 8.642 0.396 18297 3149 1 7 . 1 1 37 37 THR N N 382 123.297 123.297 122.252 1.045 18297 3150 1 7 . 1 1 37 37 THR HA H 382 5.252 5.252 5.013 0.239 18297 3151 1 7 . 1 1 37 37 THR C C 382 172.289 172.289 172.675 -0.386 18297 3152 1 7 . 1 1 37 37 THR CA C 382 60.977 60.977 61.236 -0.259 18297 3153 1 7 . 1 1 37 37 THR CB C 382 71.919 71.919 71.780 0.139 18297 3154 1 7 . 1 1 37 37 THR H H 382 9.363 9.363 9.119 0.244 18297 3155 1 7 . 1 1 38 38 ALA N N 383 123.340 123.340 127.667 -4.327 18297 3156 1 7 . 1 1 38 38 ALA HA H 383 4.935 4.935 5.042 -0.107 18297 3157 1 7 . 1 1 38 38 ALA C C 383 175.743 175.743 175.232 0.511 18297 3158 1 7 . 1 1 38 38 ALA CA C 383 51.147 51.147 50.202 0.945 18297 3159 1 7 . 1 1 38 38 ALA CB C 383 22.758 22.758 22.942 -0.184 18297 3160 1 7 . 1 1 38 38 ALA H H 383 8.896 8.896 9.192 -0.296 18297 3161 1 7 . 1 1 39 39 THR N N 384 118.815 118.815 116.830 1.985 18297 3162 1 7 . 1 1 39 39 THR HA H 384 4.892 4.892 5.226 -0.334 18297 3163 1 7 . 1 1 39 39 THR C C 384 174.098 174.098 174.630 -0.532 18297 3164 1 7 . 1 1 39 39 THR CA C 384 62.310 62.310 60.754 1.556 18297 3165 1 7 . 1 1 39 39 THR CB C 384 69.263 69.263 69.725 -0.462 18297 3166 1 7 . 1 1 39 39 THR H H 384 8.968 8.968 8.609 0.359 18297 3167 1 7 . 1 1 40 40 LEU N N 385 128.711 128.711 127.056 1.655 18297 3168 1 7 . 1 1 40 40 LEU HA H 385 4.791 4.791 4.867 -0.076 18297 3169 1 7 . 1 1 40 40 LEU C C 385 176.479 176.479 176.514 -0.035 18297 3170 1 7 . 1 1 40 40 LEU CA C 385 53.944 53.944 54.149 -0.205 18297 3171 1 7 . 1 1 40 40 LEU CB C 385 44.966 44.966 43.615 1.351 18297 3172 1 7 . 1 1 40 40 LEU H H 385 8.667 8.667 9.114 -0.447 18297 3173 1 7 . 1 1 41 41 GLU N N 386 124.470 124.470 123.573 0.897 18297 3174 1 7 . 1 1 41 41 GLU HA H 386 3.936 3.936 3.912 0.024 18297 3175 1 7 . 1 1 41 41 GLU C C 386 176.878 176.878 176.908 -0.030 18297 3176 1 7 . 1 1 41 41 GLU CA C 386 57.226 57.226 57.241 -0.015 18297 3177 1 7 . 1 1 41 41 GLU CB C 386 27.735 27.735 27.653 0.082 18297 3178 1 7 . 1 1 41 41 GLU H H 386 9.547 9.547 9.534 0.013 18297 3179 1 7 . 1 1 42 42 GLY N N 387 104.068 104.068 102.628 1.440 18297 3180 1 7 . 1 1 42 42 GLY C C 387 173.993 173.993 174.104 -0.111 18297 3181 1 7 . 1 1 42 42 GLY CA C 387 45.596 45.596 45.435 0.161 18297 3182 1 7 . 1 1 42 42 GLY H H 387 8.578 8.578 8.588 -0.010 18297 3183 1 7 . 1 1 43 43 LYS N N 388 120.422 120.422 122.017 -1.595 18297 3184 1 7 . 1 1 43 43 LYS HA H 388 4.701 4.701 4.644 0.057 18297 3185 1 7 . 1 1 43 43 LYS C C 388 175.054 175.054 174.846 0.208 18297 3186 1 7 . 1 1 43 43 LYS CA C 388 54.491 54.491 54.254 0.237 18297 3187 1 7 . 1 1 43 43 LYS CB C 388 34.968 34.968 34.322 0.646 18297 3188 1 7 . 1 1 43 43 LYS H H 388 7.826 7.826 7.816 0.010 18297 3189 1 7 . 1 1 44 44 ASN N N 389 122.606 122.606 121.173 1.433 18297 3190 1 7 . 1 1 44 44 ASN HA H 389 4.895 4.895 5.196 -0.301 18297 3191 1 7 . 1 1 44 44 ASN C C 389 174.905 174.905 175.070 -0.165 18297 3192 1 7 . 1 1 44 44 ASN CA C 389 53.944 53.944 52.904 1.040 18297 3193 1 7 . 1 1 44 44 ASN CB C 389 39.229 39.229 39.451 -0.222 18297 3194 1 7 . 1 1 44 44 ASN H H 389 8.827 8.827 8.772 0.055 18297 3195 1 7 . 1 1 45 45 ARG N N 390 125.867 125.867 125.305 0.562 18297 3196 1 7 . 1 1 45 45 ARG HA H 390 4.756 4.756 4.615 0.141 18297 3197 1 7 . 1 1 45 45 ARG C C 390 175.224 175.224 175.130 0.094 18297 3198 1 7 . 1 1 45 45 ARG CA C 390 54.491 54.491 54.057 0.434 18297 3199 1 7 . 1 1 45 45 ARG CB C 390 32.973 32.973 32.086 0.887 18297 3200 1 7 . 1 1 45 45 ARG H H 390 9.220 9.220 9.105 0.115 18297 3201 1 7 . 1 1 46 46 THR N N 391 122.574 122.574 121.204 1.370 18297 3202 1 7 . 1 1 46 46 THR HA H 391 4.289 4.289 4.374 -0.085 18297 3203 1 7 . 1 1 46 46 THR C C 391 174.010 174.010 174.897 -0.887 18297 3204 1 7 . 1 1 46 46 THR CA C 391 63.509 63.509 62.742 0.767 18297 3205 1 7 . 1 1 46 46 THR CB C 391 68.716 68.716 69.126 -0.410 18297 3206 1 7 . 1 1 46 46 THR H H 391 8.940 8.940 8.776 0.164 18297 3207 1 7 . 1 1 47 47 LEU N N 392 128.647 128.647 128.999 -0.352 18297 3208 1 7 . 1 1 47 47 LEU HA H 392 4.339 4.339 4.355 -0.016 18297 3209 1 7 . 1 1 47 47 LEU C C 392 176.670 176.670 176.262 0.408 18297 3210 1 7 . 1 1 47 47 LEU CA C 392 56.132 56.132 55.579 0.553 18297 3211 1 7 . 1 1 47 47 LEU CB C 392 42.678 42.678 42.805 -0.127 18297 3212 1 7 . 1 1 47 47 LEU H H 392 9.096 9.096 8.753 0.343 18297 3213 1 7 . 1 1 48 48 TYR N N 393 113.514 113.514 119.274 -5.760 18297 3214 1 7 . 1 1 48 48 TYR HA H 393 4.618 4.618 4.468 0.150 18297 3215 1 7 . 1 1 48 48 TYR C C 393 173.455 173.455 175.474 -2.019 18297 3216 1 7 . 1 1 48 48 TYR CA C 393 59.415 59.415 57.459 1.956 18297 3217 1 7 . 1 1 48 48 TYR CB C 393 41.384 41.384 40.720 0.664 18297 3218 1 7 . 1 1 48 48 TYR H H 393 7.562 7.562 7.656 -0.094 18297 3219 1 7 . 1 1 57 57 GLU N N 402 128.181 128.181 120.052 8.129 18297 3220 1 7 . 1 1 57 57 GLU H H 402 8.645 8.645 8.411 0.234 18297 3221 1 7 . 1 1 58 58 ARG N N 403 117.080 117.080 121.071 -3.991 18297 3222 1 7 . 1 1 58 58 ARG HA H 403 4.302 4.302 4.567 -0.265 18297 3223 1 7 . 1 1 58 58 ARG CA C 403 58.321 58.321 56.966 1.355 18297 3224 1 7 . 1 1 58 58 ARG CB C 403 31.165 31.165 32.677 -1.512 18297 3225 1 7 . 1 1 58 58 ARG H H 403 8.278 8.278 9.303 -1.025 18297 3226 1 7 . 1 1 59 59 THR N N 404 108.390 108.390 108.718 -0.328 18297 3227 1 7 . 1 1 59 59 THR HA H 404 4.932 4.932 4.594 0.338 18297 3228 1 7 . 1 1 59 59 THR H H 404 8.301 8.301 8.506 -0.205 18297 3229 1 7 . 1 1 60 60 ARG N N 405 126.639 126.639 122.094 4.545 18297 3230 1 7 . 1 1 60 60 ARG H H 405 8.549 8.549 8.442 0.107 18297 3231 1 7 . 1 1 61 61 PRO HA H 406 4.431 4.431 4.172 0.259 18297 3232 1 7 . 1 1 61 61 PRO C C 406 178.434 178.434 177.409 1.025 18297 3233 1 7 . 1 1 61 61 PRO CA C 406 65.980 65.980 65.386 0.594 18297 3234 1 7 . 1 1 61 61 PRO CB C 406 31.348 31.348 31.713 -0.365 18297 3235 1 7 . 1 1 62 62 ASN N N 407 114.574 114.574 116.014 -1.440 18297 3236 1 7 . 1 1 62 62 ASN HA H 407 4.390 4.390 4.476 -0.086 18297 3237 1 7 . 1 1 62 62 ASN C C 407 177.863 177.863 176.972 0.891 18297 3238 1 7 . 1 1 62 62 ASN CA C 407 55.308 55.308 55.203 0.104 18297 3239 1 7 . 1 1 62 62 ASN CB C 407 37.530 37.530 37.226 0.304 18297 3240 1 7 . 1 1 62 62 ASN H H 407 8.481 8.481 8.528 -0.047 18297 3241 1 7 . 1 1 63 63 LEU N N 408 115.667 115.667 118.152 -2.485 18297 3242 1 7 . 1 1 63 63 LEU HA H 408 3.861 3.861 4.054 -0.193 18297 3243 1 7 . 1 1 63 63 LEU C C 408 177.708 177.708 178.928 -1.220 18297 3244 1 7 . 1 1 63 63 LEU CA C 408 57.667 57.667 57.316 0.351 18297 3245 1 7 . 1 1 63 63 LEU CB C 408 41.706 41.706 41.809 -0.103 18297 3246 1 7 . 1 1 63 63 LEU H H 408 8.022 8.022 7.826 0.196 18297 3247 1 7 . 1 1 64 64 SER N N 409 109.209 109.209 112.403 -3.194 18297 3248 1 7 . 1 1 64 64 SER HA H 409 4.588 4.588 4.350 0.238 18297 3249 1 7 . 1 1 64 64 SER C C 409 173.870 173.870 174.807 -0.937 18297 3250 1 7 . 1 1 64 64 SER CA C 409 58.321 58.321 60.367 -2.046 18297 3251 1 7 . 1 1 64 64 SER CB C 409 63.855 63.855 63.592 0.263 18297 3252 1 7 . 1 1 64 64 SER H H 409 7.232 7.232 8.049 -0.817 18297 3253 1 7 . 1 1 65 65 LYS N N 410 122.735 122.735 120.485 2.250 18297 3254 1 7 . 1 1 65 65 LYS HA H 410 4.609 4.609 4.435 0.174 18297 3255 1 7 . 1 1 65 65 LYS C C 410 175.946 175.946 176.407 -0.461 18297 3256 1 7 . 1 1 65 65 LYS CA C 410 55.463 55.463 54.644 0.819 18297 3257 1 7 . 1 1 65 65 LYS CB C 410 34.422 34.422 33.246 1.176 18297 3258 1 7 . 1 1 65 65 LYS H H 410 7.543 7.543 7.359 0.184 18297 3259 1 7 . 1 1 66 66 THR N N 411 110.944 110.944 110.923 0.021 18297 3260 1 7 . 1 1 66 66 THR HA H 411 5.003 5.003 4.905 0.098 18297 3261 1 7 . 1 1 66 66 THR C C 411 176.038 176.038 176.544 -0.506 18297 3262 1 7 . 1 1 66 66 THR CA C 411 60.221 60.221 60.545 -0.324 18297 3263 1 7 . 1 1 66 66 THR CB C 411 70.956 70.956 70.944 0.012 18297 3264 1 7 . 1 1 66 66 THR H H 411 8.980 8.980 8.784 0.196 18297 3265 1 7 . 1 1 67 67 LEU N N 412 118.076 118.076 121.117 -3.041 18297 3266 1 7 . 1 1 67 67 LEU HA H 412 3.961 3.961 4.000 -0.039 18297 3267 1 7 . 1 1 67 67 LEU C C 412 179.227 179.227 178.688 0.539 18297 3268 1 7 . 1 1 67 67 LEU CA C 412 58.321 58.321 58.662 -0.341 18297 3269 1 7 . 1 1 67 67 LEU CB C 412 39.914 39.914 41.489 -1.575 18297 3270 1 7 . 1 1 67 67 LEU H H 412 8.434 8.434 8.776 -0.342 18297 3271 1 7 . 1 1 68 68 LYS N N 413 116.373 116.373 119.807 -3.434 18297 3272 1 7 . 1 1 68 68 LYS HA H 413 4.285 4.285 3.816 0.469 18297 3273 1 7 . 1 1 68 68 LYS C C 413 181.338 181.338 179.470 1.868 18297 3274 1 7 . 1 1 68 68 LYS CA C 413 58.868 58.868 59.201 -0.333 18297 3275 1 7 . 1 1 68 68 LYS CB C 413 32.606 32.606 32.208 0.398 18297 3276 1 7 . 1 1 68 68 LYS H H 413 8.171 8.171 7.588 0.583 18297 3277 1 7 . 1 1 69 69 GLU N N 414 123.731 123.731 119.875 3.856 18297 3278 1 7 . 1 1 69 69 GLU HA H 414 4.072 4.072 4.068 0.004 18297 3279 1 7 . 1 1 69 69 GLU C C 414 179.202 179.202 178.374 0.828 18297 3280 1 7 . 1 1 69 69 GLU CA C 414 58.868 58.868 58.694 0.174 18297 3281 1 7 . 1 1 69 69 GLU CB C 414 29.566 29.566 29.524 0.042 18297 3282 1 7 . 1 1 69 69 GLU H H 414 8.326 8.326 7.607 0.719 18297 3283 1 7 . 1 1 70 70 LEU N N 415 119.008 119.008 117.919 1.089 18297 3284 1 7 . 1 1 70 70 LEU HA H 415 4.218 4.218 4.297 -0.079 18297 3285 1 7 . 1 1 70 70 LEU C C 415 176.505 176.505 177.867 -1.362 18297 3286 1 7 . 1 1 70 70 LEU CA C 415 55.822 55.822 55.544 0.278 18297 3287 1 7 . 1 1 70 70 LEU CB C 415 43.012 43.012 42.411 0.601 18297 3288 1 7 . 1 1 70 70 LEU H H 415 7.993 7.993 7.638 0.355 18297 3289 1 7 . 1 1 71 71 GLY N N 416 105.578 105.578 106.458 -0.880 18297 3290 1 7 . 1 1 71 71 GLY C C 416 174.505 174.505 173.940 0.565 18297 3291 1 7 . 1 1 71 71 GLY CA C 416 45.191 45.191 44.970 0.221 18297 3292 1 7 . 1 1 71 71 GLY H H 416 7.880 7.880 7.561 0.319 18297 3293 1 7 . 1 1 72 72 LEU N N 417 119.201 119.201 122.256 -3.055 18297 3294 1 7 . 1 1 72 72 LEU HA H 417 4.599 4.599 4.788 -0.189 18297 3295 1 7 . 1 1 72 72 LEU C C 417 176.208 176.208 175.079 1.129 18297 3296 1 7 . 1 1 72 72 LEU CA C 417 54.815 54.815 54.266 0.549 18297 3297 1 7 . 1 1 72 72 LEU CB C 417 41.867 41.867 43.591 -1.724 18297 3298 1 7 . 1 1 72 72 LEU H H 417 7.466 7.466 7.510 -0.044 18297 3299 1 7 . 1 1 73 73 VAL N N 418 112.871 112.871 118.420 -5.549 18297 3300 1 7 . 1 1 73 73 VAL HA H 418 4.782 4.782 4.523 0.259 18297 3301 1 7 . 1 1 73 73 VAL C C 418 174.804 174.804 174.799 0.005 18297 3302 1 7 . 1 1 73 73 VAL CA C 418 59.070 59.070 58.904 0.166 18297 3303 1 7 . 1 1 73 73 VAL CB C 418 35.557 35.557 34.590 0.967 18297 3304 1 7 . 1 1 73 73 VAL H H 418 8.003 8.003 8.143 -0.140 18297 3305 1 7 . 1 1 74 74 ASP N N 419 119.972 119.972 119.511 0.461 18297 3306 1 7 . 1 1 74 74 ASP HA H 419 3.593 3.593 4.893 -1.300 18297 3307 1 7 . 1 1 74 74 ASP C C 419 177.545 177.545 177.229 0.316 18297 3308 1 7 . 1 1 74 74 ASP CA C 419 56.419 56.419 55.136 1.283 18297 3309 1 7 . 1 1 74 74 ASP CB C 419 42.035 42.035 40.920 1.115 18297 3310 1 7 . 1 1 74 74 ASP H H 419 8.250 8.250 8.523 -0.273 18297 3311 1 7 . 1 1 75 75 GLY N N 420 116.020 116.020 112.237 3.783 18297 3312 1 7 . 1 1 75 75 GLY C C 420 173.763 173.763 174.308 -0.545 18297 3313 1 7 . 1 1 75 75 GLY CA C 420 45.354 45.354 44.865 0.488 18297 3314 1 7 . 1 1 75 75 GLY H H 420 8.704 8.704 8.382 0.322 18297 3315 1 7 . 1 1 76 76 GLN N N 421 121.514 121.514 120.412 1.102 18297 3316 1 7 . 1 1 76 76 GLN HA H 421 4.048 4.048 4.418 -0.370 18297 3317 1 7 . 1 1 76 76 GLN C C 421 175.023 175.023 175.467 -0.444 18297 3318 1 7 . 1 1 76 76 GLN CA C 421 56.709 56.709 55.150 1.559 18297 3319 1 7 . 1 1 76 76 GLN CB C 421 29.511 29.511 29.750 -0.239 18297 3320 1 7 . 1 1 76 76 GLN H H 421 7.867 7.867 7.566 0.301 18297 3321 1 7 . 1 1 77 77 GLU N N 422 123.859 123.859 121.745 2.114 18297 3322 1 7 . 1 1 77 77 GLU HA H 422 5.186 5.186 4.794 0.392 18297 3323 1 7 . 1 1 77 77 GLU C C 422 176.877 176.877 175.870 1.007 18297 3324 1 7 . 1 1 77 77 GLU CA C 422 55.786 55.786 55.312 0.474 18297 3325 1 7 . 1 1 77 77 GLU CB C 422 31.509 31.509 30.081 1.429 18297 3326 1 7 . 1 1 77 77 GLU H H 422 8.568 8.568 8.551 0.017 18297 3327 1 7 . 1 1 78 78 LEU N N 423 125.867 125.867 126.924 -1.057 18297 3328 1 7 . 1 1 78 78 LEU HA H 423 5.080 5.080 4.538 0.542 18297 3329 1 7 . 1 1 78 78 LEU C C 423 174.470 174.470 174.592 -0.122 18297 3330 1 7 . 1 1 78 78 LEU CA C 423 53.686 53.686 53.644 0.042 18297 3331 1 7 . 1 1 78 78 LEU CB C 423 44.966 44.966 44.485 0.481 18297 3332 1 7 . 1 1 78 78 LEU H H 423 9.313 9.313 9.180 0.133 18297 3333 1 7 . 1 1 79 79 ALA N N 424 126.044 126.044 130.392 -4.348 18297 3334 1 7 . 1 1 79 79 ALA HA H 424 5.206 5.206 5.201 0.005 18297 3335 1 7 . 1 1 79 79 ALA C C 424 176.786 176.786 175.204 1.582 18297 3336 1 7 . 1 1 79 79 ALA CA C 424 51.049 51.049 50.128 0.921 18297 3337 1 7 . 1 1 79 79 ALA CB C 424 20.453 20.453 20.987 -0.534 18297 3338 1 7 . 1 1 79 79 ALA H H 424 8.918 8.918 9.179 -0.261 18297 3339 1 7 . 1 1 80 80 VAL N N 425 124.759 124.759 124.936 -0.177 18297 3340 1 7 . 1 1 80 80 VAL HA H 425 5.344 5.344 5.109 0.235 18297 3341 1 7 . 1 1 80 80 VAL C C 425 173.757 173.757 173.675 0.082 18297 3342 1 7 . 1 1 80 80 VAL CA C 425 60.886 60.886 60.009 0.877 18297 3343 1 7 . 1 1 80 80 VAL CB C 425 34.908 34.908 36.155 -1.247 18297 3344 1 7 . 1 1 80 80 VAL H H 425 9.357 9.357 8.916 0.441 18297 3345 1 7 . 1 1 81 81 ALA N N 426 129.353 129.353 130.489 -1.136 18297 3346 1 7 . 1 1 81 81 ALA HA H 426 5.045 5.045 4.863 0.182 18297 3347 1 7 . 1 1 81 81 ALA C C 426 175.938 175.938 175.043 0.895 18297 3348 1 7 . 1 1 81 81 ALA CA C 426 50.133 50.133 49.879 0.254 18297 3349 1 7 . 1 1 81 81 ALA CB C 426 22.758 22.758 22.583 0.175 18297 3350 1 7 . 1 1 81 81 ALA H H 426 8.502 8.502 9.187 -0.685 18297 3351 1 7 . 1 1 82 82 ASP N N 427 120.165 120.165 122.900 -2.735 18297 3352 1 7 . 1 1 82 82 ASP HA H 427 5.100 5.100 4.938 0.162 18297 3353 1 7 . 1 1 82 82 ASP C C 427 176.669 176.669 176.024 0.645 18297 3354 1 7 . 1 1 82 82 ASP CA C 427 54.491 54.491 52.222 2.269 18297 3355 1 7 . 1 1 82 82 ASP CB C 427 46.891 46.891 44.593 2.299 18297 3356 1 7 . 1 1 82 82 ASP H H 427 8.906 8.906 7.911 0.995 18297 3357 1 7 . 1 1 83 83 VAL N N 428 119.201 119.201 116.544 2.657 18297 3358 1 7 . 1 1 83 83 VAL HA H 428 4.153 4.153 4.103 0.050 18297 3359 1 7 . 1 1 83 83 VAL C C 428 177.085 177.085 177.155 -0.070 18297 3360 1 7 . 1 1 83 83 VAL CA C 428 63.992 63.992 64.353 -0.361 18297 3361 1 7 . 1 1 83 83 VAL CB C 428 31.772 31.772 31.530 0.242 18297 3362 1 7 . 1 1 83 83 VAL H H 428 8.114 8.114 8.616 -0.502 18297 3363 1 7 . 1 1 84 84 THR N N 429 110.173 110.173 112.642 -2.469 18297 3364 1 7 . 1 1 84 84 THR HA H 429 4.235 4.235 4.420 -0.185 18297 3365 1 7 . 1 1 84 84 THR C C 429 174.905 174.905 174.819 0.086 18297 3366 1 7 . 1 1 84 84 THR CA C 429 63.533 63.533 62.839 0.694 18297 3367 1 7 . 1 1 84 84 THR CB C 429 70.613 70.613 69.189 1.424 18297 3368 1 7 . 1 1 84 84 THR H H 429 7.899 7.899 9.039 -1.140 18297 3369 1 7 . 1 1 85 85 THR N N 430 116.438 116.438 114.059 2.379 18297 3370 1 7 . 1 1 85 85 THR HA H 430 5.132 5.132 4.709 0.423 18297 3371 1 7 . 1 1 85 85 THR C C 430 173.160 173.160 173.813 -0.653 18297 3372 1 7 . 1 1 85 85 THR CA C 430 57.863 57.863 58.704 -0.841 18297 3373 1 7 . 1 1 85 85 THR CB C 430 71.050 71.050 70.866 0.184 18297 3374 1 7 . 1 1 85 85 THR H H 430 7.810 7.810 7.106 0.704 18297 3375 1 7 . 1 1 86 86 PRO HA H 431 4.582 4.582 4.486 0.096 18297 3376 1 7 . 1 1 86 86 PRO CA C 431 64.086 64.086 63.195 0.891 18297 3377 1 7 . 1 1 86 86 PRO CB C 431 31.995 31.995 32.277 -0.282 18297 3378 1 7 . 1 1 87 87 GLN N N 432 117.241 117.241 119.669 -2.428 18297 3379 1 7 . 1 1 87 87 GLN HA H 432 4.618 4.618 4.553 0.065 18297 3380 1 7 . 1 1 87 87 GLN C C 432 175.653 175.653 174.658 0.995 18297 3381 1 7 . 1 1 87 87 GLN CA C 432 54.491 54.491 54.801 -0.310 18297 3382 1 7 . 1 1 87 87 GLN CB C 432 30.799 30.799 30.983 -0.184 18297 3383 1 7 . 1 1 87 87 GLN H H 432 7.786 7.786 7.714 0.072 18297 3384 1 7 . 1 1 88 88 THR N N 433 119.651 119.651 116.509 3.142 18297 3385 1 7 . 1 1 88 88 THR HA H 433 4.440 4.440 5.289 -0.849 18297 3386 1 7 . 1 1 88 88 THR C C 433 173.939 173.939 174.673 -0.734 18297 3387 1 7 . 1 1 88 88 THR CA C 433 63.792 63.792 60.345 3.447 18297 3388 1 7 . 1 1 88 88 THR CB C 433 70.357 70.357 69.885 0.472 18297 3389 1 7 . 1 1 88 88 THR H H 433 8.460 8.460 8.416 0.044 18297 3390 1 7 . 1 1 89 89 VAL N N 434 128.068 128.068 126.432 1.636 18297 3391 1 7 . 1 1 89 89 VAL HA H 434 4.153 4.153 4.281 -0.128 18297 3392 1 7 . 1 1 89 89 VAL C C 434 174.083 174.083 174.825 -0.742 18297 3393 1 7 . 1 1 89 89 VAL CA C 434 61.827 61.827 61.276 0.551 18297 3394 1 7 . 1 1 89 89 VAL CB C 434 33.937 33.937 33.880 0.057 18297 3395 1 7 . 1 1 89 89 VAL H H 434 9.275 9.275 8.600 0.675 18297 3396 1 7 . 1 1 90 90 LEU N N 435 125.755 125.755 125.658 0.097 18297 3397 1 7 . 1 1 90 90 LEU HA H 435 5.304 5.304 5.291 0.013 18297 3398 1 7 . 1 1 90 90 LEU C C 435 176.455 176.455 176.122 0.333 18297 3399 1 7 . 1 1 90 90 LEU CA C 435 53.396 53.396 53.798 -0.402 18297 3400 1 7 . 1 1 90 90 LEU CB C 435 44.023 44.023 43.115 0.908 18297 3401 1 7 . 1 1 90 90 LEU H H 435 8.169 8.169 8.548 -0.379 18297 3402 1 7 . 1 1 91 91 PHE N N 436 120.743 120.743 123.188 -2.445 18297 3403 1 7 . 1 1 91 91 PHE HA H 436 5.314 5.314 5.440 -0.126 18297 3404 1 7 . 1 1 91 91 PHE C C 436 174.788 174.788 175.187 -0.399 18297 3405 1 7 . 1 1 91 91 PHE CA C 436 56.327 56.327 56.195 0.132 18297 3406 1 7 . 1 1 91 91 PHE CB C 436 43.330 43.330 42.921 0.409 18297 3407 1 7 . 1 1 91 91 PHE H H 436 9.222 9.222 9.469 -0.247 18297 3408 1 7 . 1 1 92 92 LYS N N 437 123.120 123.120 123.090 0.030 18297 3409 1 7 . 1 1 92 92 LYS HA H 437 4.708 4.708 5.115 -0.407 18297 3410 1 7 . 1 1 92 92 LYS C C 437 174.606 174.606 175.075 -0.469 18297 3411 1 7 . 1 1 92 92 LYS CA C 437 55.139 55.139 55.460 -0.321 18297 3412 1 7 . 1 1 92 92 LYS CB C 437 34.269 34.269 34.226 0.043 18297 3413 1 7 . 1 1 92 92 LYS H H 437 8.908 8.908 9.306 -0.398 18297 3414 1 7 . 1 1 93 93 LEU N N 438 128.422 128.422 127.311 1.111 18297 3415 1 7 . 1 1 93 93 LEU HA H 438 4.480 4.480 4.830 -0.350 18297 3416 1 7 . 1 1 93 93 LEU C C 438 175.327 175.327 174.558 0.769 18297 3417 1 7 . 1 1 93 93 LEU CA C 438 55.139 55.139 53.600 1.539 18297 3418 1 7 . 1 1 93 93 LEU CB C 438 43.976 43.976 44.014 -0.038 18297 3419 1 7 . 1 1 93 93 LEU H H 438 8.755 8.755 8.017 0.738 18297 3420 1 7 . 1 1 94 94 HIS N N 439 123.859 123.859 126.333 -2.474 18297 3421 1 7 . 1 1 94 94 HIS HA H 439 5.180 5.180 4.863 0.317 18297 3422 1 7 . 1 1 94 94 HIS C C 439 174.297 174.297 173.631 0.666 18297 3423 1 7 . 1 1 94 94 HIS CA C 439 53.396 53.396 54.223 -0.827 18297 3424 1 7 . 1 1 94 94 HIS CB C 439 30.786 30.786 32.661 -1.875 18297 3425 1 7 . 1 1 94 94 HIS H H 439 8.891 8.891 9.195 -0.304 18297 3426 1 7 . 1 1 95 95 PHE N N 440 123.544 123.544 123.763 -0.219 18297 3427 1 7 . 1 1 95 95 PHE HA H 440 6.231 6.231 5.840 0.391 18297 3428 1 7 . 1 1 95 95 PHE C C 440 178.229 178.229 176.599 1.630 18297 3429 1 7 . 1 1 95 95 PHE CA C 440 53.690 53.690 57.213 -3.523 18297 3430 1 7 . 1 1 95 95 PHE CB C 440 39.477 39.477 40.569 -1.092 18297 3431 1 7 . 1 1 95 95 PHE H H 440 8.896 8.896 8.885 0.011 18297 3432 1 7 . 1 1 96 96 THR N N 441 114.382 114.382 119.615 -5.233 18297 3433 1 7 . 1 1 96 96 THR HA H 441 4.617 4.617 4.664 -0.047 18297 3434 1 7 . 1 1 96 96 THR C C 441 173.867 173.867 174.104 -0.237 18297 3435 1 7 . 1 1 96 96 THR CA C 441 61.327 61.327 60.582 0.745 18297 3436 1 7 . 1 1 96 96 THR CB C 441 69.561 69.561 70.255 -0.695 18297 3437 1 7 . 1 1 96 96 THR H H 441 7.973 7.973 8.978 -1.005 18297 3438 1 8 . 1 1 2 2 SER HA H 347 4.570 4.570 4.708 -0.138 18297 3439 1 8 . 1 1 2 2 SER C C 347 174.335 174.335 174.279 0.056 18297 3440 1 8 . 1 1 2 2 SER CA C 347 58.350 58.350 57.517 0.833 18297 3441 1 8 . 1 1 2 2 SER CB C 347 63.999 63.999 65.868 -1.869 18297 3442 1 8 . 1 1 3 3 GLN N N 348 122.478 122.478 121.609 0.869 18297 3443 1 8 . 1 1 3 3 GLN HA H 348 4.430 4.430 4.343 0.087 18297 3444 1 8 . 1 1 3 3 GLN C C 348 175.651 175.651 175.675 -0.024 18297 3445 1 8 . 1 1 3 3 GLN CA C 348 55.743 55.743 56.377 -0.634 18297 3446 1 8 . 1 1 3 3 GLN CB C 348 29.750 29.750 29.454 0.295 18297 3447 1 8 . 1 1 3 3 GLN H H 348 8.532 8.532 8.673 -0.141 18297 3448 1 8 . 1 1 4 4 LEU N N 349 125.369 125.369 122.375 2.994 18297 3449 1 8 . 1 1 4 4 LEU HA H 349 4.634 4.634 4.610 0.024 18297 3450 1 8 . 1 1 4 4 LEU C C 349 175.324 175.324 175.248 0.076 18297 3451 1 8 . 1 1 4 4 LEU CA C 349 53.197 53.197 52.451 0.746 18297 3452 1 8 . 1 1 4 4 LEU CB C 349 41.867 41.867 41.502 0.365 18297 3453 1 8 . 1 1 4 4 LEU H H 349 8.403 8.403 7.556 0.847 18297 3454 1 8 . 1 1 5 5 PRO HA H 350 4.360 4.360 4.688 -0.328 18297 3455 1 8 . 1 1 5 5 PRO C C 350 176.639 176.639 175.941 0.698 18297 3456 1 8 . 1 1 5 5 PRO CA C 350 62.748 62.748 62.487 0.261 18297 3457 1 8 . 1 1 5 5 PRO CB C 350 32.319 32.319 32.199 0.120 18297 3458 1 8 . 1 1 6 6 GLN N N 351 121.707 121.707 121.521 0.186 18297 3459 1 8 . 1 1 6 6 GLN HA H 351 4.428 4.428 4.739 -0.311 18297 3460 1 8 . 1 1 6 6 GLN C C 351 175.898 175.898 175.071 0.827 18297 3461 1 8 . 1 1 6 6 GLN CA C 351 55.678 55.678 54.817 0.861 18297 3462 1 8 . 1 1 6 6 GLN CB C 351 30.054 30.054 32.128 -2.074 18297 3463 1 8 . 1 1 6 6 GLN H H 351 8.255 8.255 8.682 -0.427 18297 3464 1 8 . 1 1 7 7 ASN N N 352 123.275 123.275 120.903 2.372 18297 3465 1 8 . 1 1 7 7 ASN HA H 352 5.470 5.470 5.532 -0.062 18297 3466 1 8 . 1 1 7 7 ASN C C 352 175.324 175.324 174.874 0.450 18297 3467 1 8 . 1 1 7 7 ASN CA C 352 54.009 54.009 52.324 1.685 18297 3468 1 8 . 1 1 7 7 ASN CB C 352 40.414 40.414 40.623 -0.209 18297 3469 1 8 . 1 1 7 7 ASN H H 352 8.860 8.860 8.693 0.167 18297 3470 1 8 . 1 1 8 8 ILE N N 353 119.104 119.104 114.616 4.488 18297 3471 1 8 . 1 1 8 8 ILE HA H 353 4.625 4.625 4.614 0.011 18297 3472 1 8 . 1 1 8 8 ILE C C 353 173.669 173.669 173.689 -0.020 18297 3473 1 8 . 1 1 8 8 ILE CA C 353 60.201 60.201 59.937 0.264 18297 3474 1 8 . 1 1 8 8 ILE CB C 353 41.404 41.404 41.615 -0.212 18297 3475 1 8 . 1 1 8 8 ILE H H 353 8.808 8.808 9.176 -0.368 18297 3476 1 8 . 1 1 9 9 GLN N N 354 122.671 122.671 125.754 -3.083 18297 3477 1 8 . 1 1 9 9 GLN HA H 354 5.586 5.586 5.156 0.430 18297 3478 1 8 . 1 1 9 9 GLN C C 354 174.274 174.274 174.223 0.051 18297 3479 1 8 . 1 1 9 9 GLN CA C 354 54.491 54.491 54.306 0.185 18297 3480 1 8 . 1 1 9 9 GLN CB C 354 31.120 31.120 30.967 0.153 18297 3481 1 8 . 1 1 9 9 GLN H H 354 8.021 8.021 8.365 -0.344 18297 3482 1 8 . 1 1 10 10 PHE N N 355 120.679 120.679 125.484 -4.805 18297 3483 1 8 . 1 1 10 10 PHE HA H 355 4.635 4.635 4.693 -0.058 18297 3484 1 8 . 1 1 10 10 PHE C C 355 174.715 174.715 174.548 0.167 18297 3485 1 8 . 1 1 10 10 PHE CA C 355 57.226 57.226 56.423 0.803 18297 3486 1 8 . 1 1 10 10 PHE CB C 355 45.969 45.969 43.740 2.229 18297 3487 1 8 . 1 1 10 10 PHE H H 355 8.403 8.403 9.245 -0.842 18297 3488 1 8 . 1 1 11 11 SER N N 356 116.116 116.116 117.710 -1.594 18297 3489 1 8 . 1 1 11 11 SER HA H 356 5.020 5.020 5.299 -0.279 18297 3490 1 8 . 1 1 11 11 SER C C 356 174.917 174.917 174.238 0.679 18297 3491 1 8 . 1 1 11 11 SER CA C 356 56.110 56.110 56.219 -0.110 18297 3492 1 8 . 1 1 11 11 SER CB C 356 63.879 63.879 62.961 0.918 18297 3493 1 8 . 1 1 11 11 SER H H 356 8.757 8.757 8.667 0.090 18297 3494 1 8 . 1 1 12 12 PRO HA H 357 3.776 3.776 4.268 -0.492 18297 3495 1 8 . 1 1 12 12 PRO C C 357 176.155 176.155 177.787 -1.632 18297 3496 1 8 . 1 1 12 12 PRO CA C 357 64.886 64.886 65.643 -0.757 18297 3497 1 8 . 1 1 12 12 PRO CB C 357 31.222 31.222 31.698 -0.475 18297 3498 1 8 . 1 1 13 13 SER N N 358 107.859 107.859 110.784 -2.925 18297 3499 1 8 . 1 1 13 13 SER HA H 358 4.388 4.388 4.497 -0.109 18297 3500 1 8 . 1 1 13 13 SER C C 358 173.972 173.972 174.049 -0.077 18297 3501 1 8 . 1 1 13 13 SER CA C 358 57.728 57.728 58.433 -0.705 18297 3502 1 8 . 1 1 13 13 SER CB C 358 63.879 63.879 62.542 1.337 18297 3503 1 8 . 1 1 13 13 SER H H 358 7.636 7.636 8.291 -0.655 18297 3504 1 8 . 1 1 14 14 ALA N N 359 126.012 126.012 125.245 0.767 18297 3505 1 8 . 1 1 14 14 ALA HA H 359 4.320 4.320 4.301 0.019 18297 3506 1 8 . 1 1 14 14 ALA C C 359 177.288 177.288 176.136 1.152 18297 3507 1 8 . 1 1 14 14 ALA CA C 359 52.849 52.849 52.222 0.627 18297 3508 1 8 . 1 1 14 14 ALA CB C 359 19.372 19.372 20.425 -1.053 18297 3509 1 8 . 1 1 14 14 ALA H H 359 7.937 7.937 8.107 -0.170 18297 3510 1 8 . 1 1 15 15 LYS N N 360 119.699 119.699 121.764 -2.065 18297 3511 1 8 . 1 1 15 15 LYS HA H 360 4.751 4.751 4.932 -0.181 18297 3512 1 8 . 1 1 15 15 LYS C C 360 179.638 179.638 177.620 2.018 18297 3513 1 8 . 1 1 15 15 LYS CA C 360 54.815 54.815 54.783 0.032 18297 3514 1 8 . 1 1 15 15 LYS CB C 360 33.127 33.127 34.098 -0.971 18297 3515 1 8 . 1 1 15 15 LYS H H 360 8.523 8.523 9.356 -0.833 18297 3516 1 8 . 1 1 16 16 LEU N N 361 123.297 123.297 122.943 0.354 18297 3517 1 8 . 1 1 16 16 LEU HA H 361 3.828 3.828 3.931 -0.103 18297 3518 1 8 . 1 1 16 16 LEU C C 361 178.714 178.714 178.191 0.523 18297 3519 1 8 . 1 1 16 16 LEU CA C 361 58.321 58.321 57.883 0.438 18297 3520 1 8 . 1 1 16 16 LEU CB C 361 40.240 40.240 41.705 -1.465 18297 3521 1 8 . 1 1 16 16 LEU H H 361 8.383 8.383 8.442 -0.059 18297 3522 1 8 . 1 1 17 17 GLN N N 362 117.900 117.900 117.354 0.546 18297 3523 1 8 . 1 1 17 17 GLN HA H 362 3.621 3.621 3.898 -0.277 18297 3524 1 8 . 1 1 17 17 GLN C C 362 176.370 176.370 178.138 -1.768 18297 3525 1 8 . 1 1 17 17 GLN CA C 362 58.547 58.547 58.895 -0.348 18297 3526 1 8 . 1 1 17 17 GLN CB C 362 29.442 29.442 27.691 1.751 18297 3527 1 8 . 1 1 17 17 GLN H H 362 8.766 8.766 7.995 0.771 18297 3528 1 8 . 1 1 18 18 GLU N N 363 116.341 116.341 120.089 -3.748 18297 3529 1 8 . 1 1 18 18 GLU HA H 363 4.201 4.201 4.149 0.052 18297 3530 1 8 . 1 1 18 18 GLU C C 363 180.135 180.135 179.140 0.995 18297 3531 1 8 . 1 1 18 18 GLU CA C 363 59.669 59.669 59.344 0.325 18297 3532 1 8 . 1 1 18 18 GLU CB C 363 29.870 29.870 29.343 0.527 18297 3533 1 8 . 1 1 18 18 GLU H H 363 7.783 7.783 7.711 0.072 18297 3534 1 8 . 1 1 19 19 VAL N N 364 120.647 120.647 120.208 0.439 18297 3535 1 8 . 1 1 19 19 VAL HA H 364 3.421 3.421 3.763 -0.342 18297 3536 1 8 . 1 1 19 19 VAL C C 364 177.380 177.380 177.930 -0.550 18297 3537 1 8 . 1 1 19 19 VAL CA C 364 65.433 65.433 66.137 -0.704 18297 3538 1 8 . 1 1 19 19 VAL CB C 364 30.964 30.964 31.415 -0.451 18297 3539 1 8 . 1 1 19 19 VAL H H 364 7.224 7.224 7.290 -0.066 18297 3540 1 8 . 1 1 20 20 LEU N N 365 120.743 120.743 120.039 0.704 18297 3541 1 8 . 1 1 20 20 LEU HA H 365 3.916 3.916 4.225 -0.309 18297 3542 1 8 . 1 1 20 20 LEU C C 365 178.974 178.974 178.267 0.707 18297 3543 1 8 . 1 1 20 20 LEU CA C 365 58.612 58.612 58.152 0.460 18297 3544 1 8 . 1 1 20 20 LEU CB C 365 41.425 41.425 41.490 -0.065 18297 3545 1 8 . 1 1 20 20 LEU H H 365 7.517 7.517 8.056 -0.539 18297 3546 1 8 . 1 1 21 21 ASP N N 366 119.329 119.329 118.160 1.169 18297 3547 1 8 . 1 1 21 21 ASP HA H 366 4.306 4.306 4.410 -0.104 18297 3548 1 8 . 1 1 21 21 ASP C C 366 177.992 177.992 178.272 -0.280 18297 3549 1 8 . 1 1 21 21 ASP CA C 366 57.405 57.405 57.138 0.267 18297 3550 1 8 . 1 1 21 21 ASP CB C 366 40.265 40.265 41.418 -1.153 18297 3551 1 8 . 1 1 21 21 ASP H H 366 8.805 8.805 7.995 0.810 18297 3552 1 8 . 1 1 22 22 TYR N N 367 121.643 121.643 120.465 1.178 18297 3553 1 8 . 1 1 22 22 TYR HA H 367 4.305 4.305 4.214 0.091 18297 3554 1 8 . 1 1 22 22 TYR C C 367 177.701 177.701 177.697 0.004 18297 3555 1 8 . 1 1 22 22 TYR CA C 367 61.777 61.777 60.777 1.000 18297 3556 1 8 . 1 1 22 22 TYR CB C 367 38.801 38.801 38.897 -0.096 18297 3557 1 8 . 1 1 22 22 TYR H H 367 7.718 7.718 7.998 -0.280 18297 3558 1 8 . 1 1 23 23 LEU N N 368 118.414 118.414 118.906 -0.492 18297 3559 1 8 . 1 1 23 23 LEU HA H 368 3.910 3.910 4.017 -0.107 18297 3560 1 8 . 1 1 23 23 LEU C C 368 178.019 178.019 177.867 0.152 18297 3561 1 8 . 1 1 23 23 LEU CA C 368 57.773 57.773 57.877 -0.104 18297 3562 1 8 . 1 1 23 23 LEU CB C 368 42.032 42.032 41.719 0.313 18297 3563 1 8 . 1 1 23 23 LEU H H 368 8.060 8.060 8.255 -0.195 18297 3564 1 8 . 1 1 24 24 THR N N 369 106.606 106.606 108.965 -2.359 18297 3565 1 8 . 1 1 24 24 THR HA H 369 4.507 4.507 4.354 0.153 18297 3566 1 8 . 1 1 24 24 THR C C 369 176.576 176.576 173.218 3.358 18297 3567 1 8 . 1 1 24 24 THR CA C 369 63.245 63.245 62.688 0.557 18297 3568 1 8 . 1 1 24 24 THR CB C 369 70.517 70.517 69.950 0.567 18297 3569 1 8 . 1 1 24 24 THR H H 369 8.017 8.017 8.176 -0.159 18297 3570 1 8 . 1 1 25 25 ASN N N 370 118.847 118.847 118.567 0.280 18297 3571 1 8 . 1 1 25 25 ASN HA H 370 4.846 4.846 4.891 -0.045 18297 3572 1 8 . 1 1 25 25 ASN C C 370 176.455 176.455 174.108 2.347 18297 3573 1 8 . 1 1 25 25 ASN CA C 370 53.944 53.944 52.426 1.518 18297 3574 1 8 . 1 1 25 25 ASN CB C 370 39.718 39.718 40.971 -1.253 18297 3575 1 8 . 1 1 25 25 ASN H H 370 8.149 8.149 8.107 0.042 18297 3576 1 8 . 1 1 26 26 SER N N 371 116.888 116.888 116.743 0.145 18297 3577 1 8 . 1 1 26 26 SER HA H 371 4.375 4.375 4.378 -0.003 18297 3578 1 8 . 1 1 26 26 SER C C 371 176.257 176.257 175.007 1.250 18297 3579 1 8 . 1 1 26 26 SER CA C 371 59.603 59.603 61.444 -1.841 18297 3580 1 8 . 1 1 26 26 SER CB C 371 63.792 63.792 63.747 0.045 18297 3581 1 8 . 1 1 26 26 SER H H 371 7.889 7.889 8.712 -0.823 18297 3582 1 8 . 1 1 27 27 ALA N N 372 128.743 128.743 121.697 7.046 18297 3583 1 8 . 1 1 27 27 ALA HA H 372 4.228 4.228 4.489 -0.261 18297 3584 1 8 . 1 1 27 27 ALA C C 372 178.538 178.538 179.993 -1.455 18297 3585 1 8 . 1 1 27 27 ALA CA C 372 54.491 54.491 53.860 0.631 18297 3586 1 8 . 1 1 27 27 ALA CB C 372 18.772 18.772 19.049 -0.277 18297 3587 1 8 . 1 1 27 27 ALA H H 372 8.836 8.836 7.745 1.091 18297 3588 1 8 . 1 1 28 28 SER N N 373 110.751 110.751 115.496 -4.745 18297 3589 1 8 . 1 1 28 28 SER HA H 373 4.426 4.426 4.348 0.078 18297 3590 1 8 . 1 1 28 28 SER C C 373 174.548 174.548 175.253 -0.705 18297 3591 1 8 . 1 1 28 28 SER CA C 373 59.415 59.415 60.525 -1.110 18297 3592 1 8 . 1 1 28 28 SER CB C 373 63.394 63.394 63.442 -0.048 18297 3593 1 8 . 1 1 28 28 SER H H 373 8.069 8.069 9.047 -0.978 18297 3594 1 8 . 1 1 29 29 LEU N N 374 122.012 122.012 120.778 1.234 18297 3595 1 8 . 1 1 29 29 LEU HA H 374 4.465 4.465 4.526 -0.061 18297 3596 1 8 . 1 1 29 29 LEU C C 374 175.716 175.716 177.036 -1.320 18297 3597 1 8 . 1 1 29 29 LEU CA C 374 56.132 56.132 54.366 1.766 18297 3598 1 8 . 1 1 29 29 LEU CB C 374 44.295 44.295 42.108 2.187 18297 3599 1 8 . 1 1 29 29 LEU H H 374 7.547 7.547 7.754 -0.207 18297 3600 1 8 . 1 1 30 30 GLN N N 375 116.052 116.052 118.895 -2.843 18297 3601 1 8 . 1 1 30 30 GLN HA H 375 4.003 4.003 4.057 -0.054 18297 3602 1 8 . 1 1 30 30 GLN C C 375 175.498 175.498 177.478 -1.980 18297 3603 1 8 . 1 1 30 30 GLN CA C 375 56.434 56.434 58.715 -2.280 18297 3604 1 8 . 1 1 30 30 GLN CB C 375 27.948 27.948 28.994 -1.046 18297 3605 1 8 . 1 1 30 30 GLN H H 375 8.060 8.060 7.435 0.625 18297 3606 1 8 . 1 1 31 31 MET N N 376 117.691 117.691 113.297 4.394 18297 3607 1 8 . 1 1 31 31 MET HA H 376 4.283 4.283 4.577 -0.294 18297 3608 1 8 . 1 1 31 31 MET C C 376 175.843 175.843 176.881 -1.038 18297 3609 1 8 . 1 1 31 31 MET CA C 376 57.728 57.728 57.879 -0.151 18297 3610 1 8 . 1 1 31 31 MET CB C 376 33.451 33.451 32.798 0.653 18297 3611 1 8 . 1 1 31 31 MET H H 376 8.211 8.211 8.001 0.210 18297 3612 1 8 . 1 1 32 32 LYS N N 377 122.028 122.028 119.542 2.486 18297 3613 1 8 . 1 1 32 32 LYS HA H 377 4.414 4.414 4.332 0.082 18297 3614 1 8 . 1 1 32 32 LYS C C 377 177.837 177.837 176.159 1.678 18297 3615 1 8 . 1 1 32 32 LYS CA C 377 58.052 58.052 55.763 2.289 18297 3616 1 8 . 1 1 32 32 LYS CB C 377 34.994 34.994 32.068 2.926 18297 3617 1 8 . 1 1 32 32 LYS H H 377 9.461 9.461 8.256 1.205 18297 3618 1 8 . 1 1 33 33 SER N N 378 115.056 115.056 115.998 -0.942 18297 3619 1 8 . 1 1 33 33 SER HA H 378 4.650 4.650 4.616 0.034 18297 3620 1 8 . 1 1 33 33 SER C C 378 172.026 172.026 173.246 -1.220 18297 3621 1 8 . 1 1 33 33 SER CA C 378 55.038 55.038 56.787 -1.749 18297 3622 1 8 . 1 1 33 33 SER CB C 378 62.908 62.908 63.511 -0.603 18297 3623 1 8 . 1 1 33 33 SER H H 378 10.101 10.101 7.480 2.621 18297 3624 1 8 . 1 1 34 34 PRO HA H 379 5.043 5.043 4.732 0.311 18297 3625 1 8 . 1 1 34 34 PRO C C 379 175.422 175.422 175.033 0.389 18297 3626 1 8 . 1 1 34 34 PRO CA C 379 63.792 63.792 62.702 1.091 18297 3627 1 8 . 1 1 34 34 PRO CB C 379 33.703 33.703 32.917 0.786 18297 3628 1 8 . 1 1 35 35 ALA N N 380 121.498 121.498 122.308 -0.810 18297 3629 1 8 . 1 1 35 35 ALA HA H 380 5.137 5.137 4.962 0.175 18297 3630 1 8 . 1 1 35 35 ALA C C 380 177.313 177.313 175.897 1.416 18297 3631 1 8 . 1 1 35 35 ALA CA C 380 50.661 50.661 50.033 0.628 18297 3632 1 8 . 1 1 35 35 ALA CB C 380 22.118 22.118 22.047 0.071 18297 3633 1 8 . 1 1 35 35 ALA H H 380 8.894 8.894 8.794 0.100 18297 3634 1 8 . 1 1 36 36 ILE N N 381 120.470 120.470 125.006 -4.536 18297 3635 1 8 . 1 1 36 36 ILE HA H 381 4.967 4.967 5.200 -0.233 18297 3636 1 8 . 1 1 36 36 ILE C C 381 175.314 175.314 175.471 -0.157 18297 3637 1 8 . 1 1 36 36 ILE CA C 381 61.056 61.056 60.202 0.854 18297 3638 1 8 . 1 1 36 36 ILE CB C 381 41.364 41.364 40.016 1.348 18297 3639 1 8 . 1 1 36 36 ILE H H 381 9.038 9.038 8.605 0.433 18297 3640 1 8 . 1 1 37 37 THR N N 382 123.297 123.297 123.572 -0.275 18297 3641 1 8 . 1 1 37 37 THR HA H 382 5.252 5.252 4.973 0.279 18297 3642 1 8 . 1 1 37 37 THR C C 382 172.289 172.289 172.636 -0.347 18297 3643 1 8 . 1 1 37 37 THR CA C 382 60.977 60.977 61.048 -0.071 18297 3644 1 8 . 1 1 37 37 THR CB C 382 71.919 71.919 71.455 0.464 18297 3645 1 8 . 1 1 37 37 THR H H 382 9.363 9.363 8.935 0.428 18297 3646 1 8 . 1 1 38 38 ALA N N 383 123.340 123.340 127.760 -4.420 18297 3647 1 8 . 1 1 38 38 ALA HA H 383 4.935 4.935 4.948 -0.013 18297 3648 1 8 . 1 1 38 38 ALA C C 383 175.743 175.743 175.146 0.597 18297 3649 1 8 . 1 1 38 38 ALA CA C 383 51.147 51.147 50.386 0.761 18297 3650 1 8 . 1 1 38 38 ALA CB C 383 22.758 22.758 22.822 -0.064 18297 3651 1 8 . 1 1 38 38 ALA H H 383 8.896 8.896 8.996 -0.100 18297 3652 1 8 . 1 1 39 39 THR N N 384 118.815 118.815 117.251 1.564 18297 3653 1 8 . 1 1 39 39 THR HA H 384 4.892 4.892 5.105 -0.213 18297 3654 1 8 . 1 1 39 39 THR C C 384 174.098 174.098 174.263 -0.165 18297 3655 1 8 . 1 1 39 39 THR CA C 384 62.310 62.310 60.825 1.484 18297 3656 1 8 . 1 1 39 39 THR CB C 384 69.263 69.263 69.475 -0.212 18297 3657 1 8 . 1 1 39 39 THR H H 384 8.968 8.968 8.670 0.298 18297 3658 1 8 . 1 1 40 40 LEU N N 385 128.711 128.711 129.962 -1.251 18297 3659 1 8 . 1 1 40 40 LEU HA H 385 4.791 4.791 4.705 0.086 18297 3660 1 8 . 1 1 40 40 LEU C C 385 176.479 176.479 176.644 -0.165 18297 3661 1 8 . 1 1 40 40 LEU CA C 385 53.944 53.944 54.103 -0.159 18297 3662 1 8 . 1 1 40 40 LEU CB C 385 44.966 44.966 43.649 1.317 18297 3663 1 8 . 1 1 40 40 LEU H H 385 8.667 8.667 9.208 -0.541 18297 3664 1 8 . 1 1 41 41 GLU N N 386 124.470 124.470 125.891 -1.421 18297 3665 1 8 . 1 1 41 41 GLU HA H 386 3.936 3.936 3.907 0.029 18297 3666 1 8 . 1 1 41 41 GLU C C 386 176.878 176.878 176.813 0.065 18297 3667 1 8 . 1 1 41 41 GLU CA C 386 57.226 57.226 56.911 0.315 18297 3668 1 8 . 1 1 41 41 GLU CB C 386 27.735 27.735 27.717 0.018 18297 3669 1 8 . 1 1 41 41 GLU H H 386 9.547 9.547 9.546 0.001 18297 3670 1 8 . 1 1 42 42 GLY N N 387 104.068 104.068 103.695 0.373 18297 3671 1 8 . 1 1 42 42 GLY C C 387 173.993 173.993 173.706 0.287 18297 3672 1 8 . 1 1 42 42 GLY CA C 387 45.596 45.596 44.980 0.616 18297 3673 1 8 . 1 1 42 42 GLY H H 387 8.578 8.578 8.752 -0.174 18297 3674 1 8 . 1 1 43 43 LYS N N 388 120.422 120.422 121.489 -1.067 18297 3675 1 8 . 1 1 43 43 LYS HA H 388 4.701 4.701 4.597 0.104 18297 3676 1 8 . 1 1 43 43 LYS C C 388 175.054 175.054 174.670 0.384 18297 3677 1 8 . 1 1 43 43 LYS CA C 388 54.491 54.491 54.836 -0.345 18297 3678 1 8 . 1 1 43 43 LYS CB C 388 34.968 34.968 34.910 0.058 18297 3679 1 8 . 1 1 43 43 LYS H H 388 7.826 7.826 7.707 0.119 18297 3680 1 8 . 1 1 44 44 ASN N N 389 122.606 122.606 123.952 -1.346 18297 3681 1 8 . 1 1 44 44 ASN HA H 389 4.895 4.895 5.028 -0.133 18297 3682 1 8 . 1 1 44 44 ASN C C 389 174.905 174.905 174.521 0.384 18297 3683 1 8 . 1 1 44 44 ASN CA C 389 53.944 53.944 53.865 0.079 18297 3684 1 8 . 1 1 44 44 ASN CB C 389 39.229 39.229 39.360 -0.131 18297 3685 1 8 . 1 1 44 44 ASN H H 389 8.827 8.827 8.800 0.027 18297 3686 1 8 . 1 1 45 45 ARG N N 390 125.867 125.867 126.733 -0.866 18297 3687 1 8 . 1 1 45 45 ARG HA H 390 4.756 4.756 4.682 0.074 18297 3688 1 8 . 1 1 45 45 ARG C C 390 175.224 175.224 175.232 -0.008 18297 3689 1 8 . 1 1 45 45 ARG CA C 390 54.491 54.491 54.531 -0.040 18297 3690 1 8 . 1 1 45 45 ARG CB C 390 32.973 32.973 32.757 0.216 18297 3691 1 8 . 1 1 45 45 ARG H H 390 9.220 9.220 9.105 0.115 18297 3692 1 8 . 1 1 46 46 THR N N 391 122.574 122.574 123.249 -0.675 18297 3693 1 8 . 1 1 46 46 THR HA H 391 4.289 4.289 4.306 -0.017 18297 3694 1 8 . 1 1 46 46 THR C C 391 174.010 174.010 174.179 -0.169 18297 3695 1 8 . 1 1 46 46 THR CA C 391 63.509 63.509 64.010 -0.501 18297 3696 1 8 . 1 1 46 46 THR CB C 391 68.716 68.716 68.869 -0.153 18297 3697 1 8 . 1 1 46 46 THR H H 391 8.940 8.940 8.786 0.154 18297 3698 1 8 . 1 1 47 47 LEU N N 392 128.647 128.647 125.661 2.986 18297 3699 1 8 . 1 1 47 47 LEU HA H 392 4.339 4.339 4.562 -0.223 18297 3700 1 8 . 1 1 47 47 LEU C C 392 176.670 176.670 177.044 -0.374 18297 3701 1 8 . 1 1 47 47 LEU CA C 392 56.132 56.132 55.197 0.935 18297 3702 1 8 . 1 1 47 47 LEU CB C 392 42.678 42.678 43.541 -0.863 18297 3703 1 8 . 1 1 47 47 LEU H H 392 9.096 9.096 8.059 1.037 18297 3704 1 8 . 1 1 48 48 TYR N N 393 113.514 113.514 120.376 -6.862 18297 3705 1 8 . 1 1 48 48 TYR HA H 393 4.618 4.618 4.529 0.089 18297 3706 1 8 . 1 1 48 48 TYR C C 393 173.455 173.455 174.820 -1.365 18297 3707 1 8 . 1 1 48 48 TYR CA C 393 59.415 59.415 57.646 1.769 18297 3708 1 8 . 1 1 48 48 TYR CB C 393 41.384 41.384 38.462 2.922 18297 3709 1 8 . 1 1 48 48 TYR H H 393 7.562 7.562 7.658 -0.096 18297 3710 1 8 . 1 1 57 57 GLU N N 402 128.181 128.181 126.345 1.836 18297 3711 1 8 . 1 1 57 57 GLU H H 402 8.645 8.645 8.611 0.034 18297 3712 1 8 . 1 1 58 58 ARG N N 403 117.080 117.080 125.891 -8.811 18297 3713 1 8 . 1 1 58 58 ARG HA H 403 4.302 4.302 4.372 -0.070 18297 3714 1 8 . 1 1 58 58 ARG CA C 403 58.321 58.321 56.989 1.332 18297 3715 1 8 . 1 1 58 58 ARG CB C 403 31.165 31.165 31.013 0.152 18297 3716 1 8 . 1 1 58 58 ARG H H 403 8.278 8.278 8.762 -0.484 18297 3717 1 8 . 1 1 59 59 THR N N 404 108.390 108.390 118.483 -10.093 18297 3718 1 8 . 1 1 59 59 THR HA H 404 4.932 4.932 4.358 0.574 18297 3719 1 8 . 1 1 59 59 THR H H 404 8.301 8.301 8.103 0.198 18297 3720 1 8 . 1 1 60 60 ARG N N 405 126.639 126.639 128.271 -1.632 18297 3721 1 8 . 1 1 60 60 ARG H H 405 8.549 8.549 7.870 0.679 18297 3722 1 8 . 1 1 61 61 PRO HA H 406 4.431 4.431 4.599 -0.168 18297 3723 1 8 . 1 1 61 61 PRO C C 406 178.434 178.434 177.390 1.044 18297 3724 1 8 . 1 1 61 61 PRO CA C 406 65.980 65.980 63.993 1.987 18297 3725 1 8 . 1 1 61 61 PRO CB C 406 31.348 31.348 32.466 -1.118 18297 3726 1 8 . 1 1 62 62 ASN N N 407 114.574 114.574 118.408 -3.834 18297 3727 1 8 . 1 1 62 62 ASN HA H 407 4.390 4.390 4.354 0.036 18297 3728 1 8 . 1 1 62 62 ASN C C 407 177.863 177.863 177.201 0.662 18297 3729 1 8 . 1 1 62 62 ASN CA C 407 55.308 55.308 56.696 -1.388 18297 3730 1 8 . 1 1 62 62 ASN CB C 407 37.530 37.530 37.605 -0.075 18297 3731 1 8 . 1 1 62 62 ASN H H 407 8.481 8.481 8.544 -0.063 18297 3732 1 8 . 1 1 63 63 LEU N N 408 115.667 115.667 116.869 -1.202 18297 3733 1 8 . 1 1 63 63 LEU HA H 408 3.861 3.861 4.058 -0.197 18297 3734 1 8 . 1 1 63 63 LEU C C 408 177.708 177.708 178.553 -0.845 18297 3735 1 8 . 1 1 63 63 LEU CA C 408 57.667 57.667 57.425 0.242 18297 3736 1 8 . 1 1 63 63 LEU CB C 408 41.706 41.706 41.680 0.026 18297 3737 1 8 . 1 1 63 63 LEU H H 408 8.022 8.022 7.992 0.030 18297 3738 1 8 . 1 1 64 64 SER N N 409 109.209 109.209 111.606 -2.397 18297 3739 1 8 . 1 1 64 64 SER HA H 409 4.588 4.588 4.496 0.092 18297 3740 1 8 . 1 1 64 64 SER C C 409 173.870 173.870 174.654 -0.784 18297 3741 1 8 . 1 1 64 64 SER CA C 409 58.321 58.321 59.061 -0.740 18297 3742 1 8 . 1 1 64 64 SER CB C 409 63.855 63.855 64.062 -0.207 18297 3743 1 8 . 1 1 64 64 SER H H 409 7.232 7.232 7.642 -0.410 18297 3744 1 8 . 1 1 65 65 LYS N N 410 122.735 122.735 121.184 1.551 18297 3745 1 8 . 1 1 65 65 LYS HA H 410 4.609 4.609 4.611 -0.002 18297 3746 1 8 . 1 1 65 65 LYS C C 410 175.946 175.946 175.584 0.362 18297 3747 1 8 . 1 1 65 65 LYS CA C 410 55.463 55.463 54.368 1.095 18297 3748 1 8 . 1 1 65 65 LYS CB C 410 34.422 34.422 34.090 0.332 18297 3749 1 8 . 1 1 65 65 LYS H H 410 7.543 7.543 7.904 -0.361 18297 3750 1 8 . 1 1 66 66 THR N N 411 110.944 110.944 110.705 0.239 18297 3751 1 8 . 1 1 66 66 THR HA H 411 5.003 5.003 4.744 0.259 18297 3752 1 8 . 1 1 66 66 THR C C 411 176.038 176.038 176.387 -0.349 18297 3753 1 8 . 1 1 66 66 THR CA C 411 60.221 60.221 60.789 -0.568 18297 3754 1 8 . 1 1 66 66 THR CB C 411 70.956 70.956 70.641 0.315 18297 3755 1 8 . 1 1 66 66 THR H H 411 8.980 8.980 8.025 0.955 18297 3756 1 8 . 1 1 67 67 LEU N N 412 118.076 118.076 121.499 -3.423 18297 3757 1 8 . 1 1 67 67 LEU HA H 412 3.961 3.961 4.000 -0.039 18297 3758 1 8 . 1 1 67 67 LEU C C 412 179.227 179.227 178.815 0.412 18297 3759 1 8 . 1 1 67 67 LEU CA C 412 58.321 58.321 58.740 -0.419 18297 3760 1 8 . 1 1 67 67 LEU CB C 412 39.914 39.914 41.529 -1.615 18297 3761 1 8 . 1 1 67 67 LEU H H 412 8.434 8.434 9.096 -0.662 18297 3762 1 8 . 1 1 68 68 LYS N N 413 116.373 116.373 119.431 -3.058 18297 3763 1 8 . 1 1 68 68 LYS HA H 413 4.285 4.285 4.079 0.206 18297 3764 1 8 . 1 1 68 68 LYS C C 413 181.338 181.338 179.388 1.950 18297 3765 1 8 . 1 1 68 68 LYS CA C 413 58.868 58.868 59.334 -0.466 18297 3766 1 8 . 1 1 68 68 LYS CB C 413 32.606 32.606 32.040 0.566 18297 3767 1 8 . 1 1 68 68 LYS H H 413 8.171 8.171 7.641 0.530 18297 3768 1 8 . 1 1 69 69 GLU N N 414 123.731 123.731 119.097 4.634 18297 3769 1 8 . 1 1 69 69 GLU HA H 414 4.072 4.072 4.084 -0.012 18297 3770 1 8 . 1 1 69 69 GLU C C 414 179.202 179.202 178.263 0.939 18297 3771 1 8 . 1 1 69 69 GLU CA C 414 58.868 58.868 58.415 0.453 18297 3772 1 8 . 1 1 69 69 GLU CB C 414 29.566 29.566 29.178 0.388 18297 3773 1 8 . 1 1 69 69 GLU H H 414 8.326 8.326 8.060 0.266 18297 3774 1 8 . 1 1 70 70 LEU N N 415 119.008 119.008 117.936 1.072 18297 3775 1 8 . 1 1 70 70 LEU HA H 415 4.218 4.218 4.283 -0.065 18297 3776 1 8 . 1 1 70 70 LEU C C 415 176.505 176.505 177.287 -0.782 18297 3777 1 8 . 1 1 70 70 LEU CA C 415 55.822 55.822 54.990 0.832 18297 3778 1 8 . 1 1 70 70 LEU CB C 415 43.012 43.012 41.960 1.052 18297 3779 1 8 . 1 1 70 70 LEU H H 415 7.993 7.993 7.764 0.229 18297 3780 1 8 . 1 1 71 71 GLY N N 416 105.578 105.578 106.420 -0.842 18297 3781 1 8 . 1 1 71 71 GLY C C 416 174.505 174.505 174.720 -0.215 18297 3782 1 8 . 1 1 71 71 GLY CA C 416 45.191 45.191 45.237 -0.046 18297 3783 1 8 . 1 1 71 71 GLY H H 416 7.880 7.880 7.824 0.056 18297 3784 1 8 . 1 1 72 72 LEU N N 417 119.201 119.201 121.780 -2.579 18297 3785 1 8 . 1 1 72 72 LEU HA H 417 4.599 4.599 4.568 0.031 18297 3786 1 8 . 1 1 72 72 LEU C C 417 176.208 176.208 176.439 -0.231 18297 3787 1 8 . 1 1 72 72 LEU CA C 417 54.815 54.815 55.426 -0.611 18297 3788 1 8 . 1 1 72 72 LEU CB C 417 41.867 41.867 43.094 -1.227 18297 3789 1 8 . 1 1 72 72 LEU H H 417 7.466 7.466 7.676 -0.210 18297 3790 1 8 . 1 1 73 73 VAL N N 418 112.871 112.871 120.141 -7.270 18297 3791 1 8 . 1 1 73 73 VAL HA H 418 4.782 4.782 4.561 0.221 18297 3792 1 8 . 1 1 73 73 VAL C C 418 174.804 174.804 174.681 0.123 18297 3793 1 8 . 1 1 73 73 VAL CA C 418 59.070 59.070 59.042 0.028 18297 3794 1 8 . 1 1 73 73 VAL CB C 418 35.557 35.557 36.035 -0.478 18297 3795 1 8 . 1 1 73 73 VAL H H 418 8.003 8.003 8.169 -0.166 18297 3796 1 8 . 1 1 74 74 ASP N N 419 119.972 119.972 122.342 -2.370 18297 3797 1 8 . 1 1 74 74 ASP HA H 419 3.593 3.593 4.914 -1.321 18297 3798 1 8 . 1 1 74 74 ASP C C 419 177.545 177.545 176.901 0.644 18297 3799 1 8 . 1 1 74 74 ASP CA C 419 56.419 56.419 54.777 1.642 18297 3800 1 8 . 1 1 74 74 ASP CB C 419 42.035 42.035 40.886 1.149 18297 3801 1 8 . 1 1 74 74 ASP H H 419 8.250 8.250 8.614 -0.364 18297 3802 1 8 . 1 1 75 75 GLY N N 420 116.020 116.020 111.164 4.856 18297 3803 1 8 . 1 1 75 75 GLY C C 420 173.763 173.763 173.654 0.109 18297 3804 1 8 . 1 1 75 75 GLY CA C 420 45.354 45.354 44.789 0.565 18297 3805 1 8 . 1 1 75 75 GLY H H 420 8.704 8.704 8.762 -0.058 18297 3806 1 8 . 1 1 76 76 GLN N N 421 121.514 121.514 121.367 0.147 18297 3807 1 8 . 1 1 76 76 GLN HA H 421 4.048 4.048 4.164 -0.116 18297 3808 1 8 . 1 1 76 76 GLN C C 421 175.023 175.023 174.884 0.139 18297 3809 1 8 . 1 1 76 76 GLN CA C 421 56.709 56.709 55.594 1.115 18297 3810 1 8 . 1 1 76 76 GLN CB C 421 29.511 29.511 29.744 -0.233 18297 3811 1 8 . 1 1 76 76 GLN H H 421 7.867 7.867 7.394 0.473 18297 3812 1 8 . 1 1 77 77 GLU N N 422 123.859 123.859 124.627 -0.768 18297 3813 1 8 . 1 1 77 77 GLU HA H 422 5.186 5.186 5.297 -0.111 18297 3814 1 8 . 1 1 77 77 GLU C C 422 176.877 176.877 176.128 0.749 18297 3815 1 8 . 1 1 77 77 GLU CA C 422 55.786 55.786 55.794 -0.008 18297 3816 1 8 . 1 1 77 77 GLU CB C 422 31.509 31.509 30.464 1.045 18297 3817 1 8 . 1 1 77 77 GLU H H 422 8.568 8.568 8.713 -0.145 18297 3818 1 8 . 1 1 78 78 LEU N N 423 125.867 125.867 124.842 1.025 18297 3819 1 8 . 1 1 78 78 LEU HA H 423 5.080 5.080 4.569 0.511 18297 3820 1 8 . 1 1 78 78 LEU C C 423 174.470 174.470 175.817 -1.347 18297 3821 1 8 . 1 1 78 78 LEU CA C 423 53.686 53.686 53.888 -0.202 18297 3822 1 8 . 1 1 78 78 LEU CB C 423 44.966 44.966 43.821 1.145 18297 3823 1 8 . 1 1 78 78 LEU H H 423 9.313 9.313 9.010 0.303 18297 3824 1 8 . 1 1 79 79 ALA N N 424 126.044 126.044 126.456 -0.412 18297 3825 1 8 . 1 1 79 79 ALA HA H 424 5.206 5.206 5.166 0.040 18297 3826 1 8 . 1 1 79 79 ALA C C 424 176.786 176.786 175.223 1.563 18297 3827 1 8 . 1 1 79 79 ALA CA C 424 51.049 51.049 50.461 0.588 18297 3828 1 8 . 1 1 79 79 ALA CB C 424 20.453 20.453 20.906 -0.453 18297 3829 1 8 . 1 1 79 79 ALA H H 424 8.918 8.918 9.005 -0.087 18297 3830 1 8 . 1 1 80 80 VAL N N 425 124.759 124.759 124.873 -0.114 18297 3831 1 8 . 1 1 80 80 VAL HA H 425 5.344 5.344 5.387 -0.043 18297 3832 1 8 . 1 1 80 80 VAL C C 425 173.757 173.757 173.447 0.310 18297 3833 1 8 . 1 1 80 80 VAL CA C 425 60.886 60.886 59.749 1.137 18297 3834 1 8 . 1 1 80 80 VAL CB C 425 34.908 34.908 36.580 -1.672 18297 3835 1 8 . 1 1 80 80 VAL H H 425 9.357 9.357 8.950 0.407 18297 3836 1 8 . 1 1 81 81 ALA N N 426 129.353 129.353 130.310 -0.957 18297 3837 1 8 . 1 1 81 81 ALA HA H 426 5.045 5.045 4.986 0.059 18297 3838 1 8 . 1 1 81 81 ALA C C 426 175.938 175.938 175.410 0.528 18297 3839 1 8 . 1 1 81 81 ALA CA C 426 50.133 50.133 49.627 0.506 18297 3840 1 8 . 1 1 81 81 ALA CB C 426 22.758 22.758 22.777 -0.019 18297 3841 1 8 . 1 1 81 81 ALA H H 426 8.502 8.502 8.962 -0.460 18297 3842 1 8 . 1 1 82 82 ASP N N 427 120.165 120.165 122.283 -2.118 18297 3843 1 8 . 1 1 82 82 ASP HA H 427 5.100 5.100 5.048 0.052 18297 3844 1 8 . 1 1 82 82 ASP C C 427 176.669 176.669 175.941 0.728 18297 3845 1 8 . 1 1 82 82 ASP CA C 427 54.491 54.491 53.397 1.094 18297 3846 1 8 . 1 1 82 82 ASP CB C 427 46.891 46.891 44.599 2.292 18297 3847 1 8 . 1 1 82 82 ASP H H 427 8.906 8.906 8.544 0.362 18297 3848 1 8 . 1 1 83 83 VAL N N 428 119.201 119.201 116.150 3.051 18297 3849 1 8 . 1 1 83 83 VAL HA H 428 4.153 4.153 4.090 0.063 18297 3850 1 8 . 1 1 83 83 VAL C C 428 177.085 177.085 177.091 -0.006 18297 3851 1 8 . 1 1 83 83 VAL CA C 428 63.992 63.992 64.756 -0.764 18297 3852 1 8 . 1 1 83 83 VAL CB C 428 31.772 31.772 31.810 -0.038 18297 3853 1 8 . 1 1 83 83 VAL H H 428 8.114 8.114 8.690 -0.576 18297 3854 1 8 . 1 1 84 84 THR N N 429 110.173 110.173 109.750 0.423 18297 3855 1 8 . 1 1 84 84 THR HA H 429 4.235 4.235 4.449 -0.214 18297 3856 1 8 . 1 1 84 84 THR C C 429 174.905 174.905 174.551 0.354 18297 3857 1 8 . 1 1 84 84 THR CA C 429 63.533 63.533 62.613 0.920 18297 3858 1 8 . 1 1 84 84 THR CB C 429 70.613 70.613 69.064 1.549 18297 3859 1 8 . 1 1 84 84 THR H H 429 7.899 7.899 7.981 -0.082 18297 3860 1 8 . 1 1 85 85 THR N N 430 116.438 116.438 118.535 -2.097 18297 3861 1 8 . 1 1 85 85 THR HA H 430 5.132 5.132 4.591 0.541 18297 3862 1 8 . 1 1 85 85 THR C C 430 173.160 173.160 173.098 0.062 18297 3863 1 8 . 1 1 85 85 THR CA C 430 57.863 57.863 59.292 -1.429 18297 3864 1 8 . 1 1 85 85 THR CB C 430 71.050 71.050 70.200 0.850 18297 3865 1 8 . 1 1 85 85 THR H H 430 7.810 7.810 7.362 0.448 18297 3866 1 8 . 1 1 86 86 PRO HA H 431 4.582 4.582 4.634 -0.052 18297 3867 1 8 . 1 1 86 86 PRO CA C 431 64.086 64.086 62.761 1.325 18297 3868 1 8 . 1 1 86 86 PRO CB C 431 31.995 31.995 31.799 0.196 18297 3869 1 8 . 1 1 87 87 GLN N N 432 117.241 117.241 117.934 -0.693 18297 3870 1 8 . 1 1 87 87 GLN HA H 432 4.618 4.618 4.614 0.004 18297 3871 1 8 . 1 1 87 87 GLN C C 432 175.653 175.653 174.345 1.308 18297 3872 1 8 . 1 1 87 87 GLN CA C 432 54.491 54.491 54.281 0.210 18297 3873 1 8 . 1 1 87 87 GLN CB C 432 30.799 30.799 32.651 -1.853 18297 3874 1 8 . 1 1 87 87 GLN H H 432 7.786 7.786 7.517 0.269 18297 3875 1 8 . 1 1 88 88 THR N N 433 119.651 119.651 117.988 1.663 18297 3876 1 8 . 1 1 88 88 THR HA H 433 4.440 4.440 4.785 -0.345 18297 3877 1 8 . 1 1 88 88 THR C C 433 173.939 173.939 174.181 -0.242 18297 3878 1 8 . 1 1 88 88 THR CA C 433 63.792 63.792 62.122 1.670 18297 3879 1 8 . 1 1 88 88 THR CB C 433 70.357 70.357 69.507 0.850 18297 3880 1 8 . 1 1 88 88 THR H H 433 8.460 8.460 8.415 0.045 18297 3881 1 8 . 1 1 89 89 VAL N N 434 128.068 128.068 127.449 0.619 18297 3882 1 8 . 1 1 89 89 VAL HA H 434 4.153 4.153 4.741 -0.588 18297 3883 1 8 . 1 1 89 89 VAL C C 434 174.083 174.083 174.481 -0.398 18297 3884 1 8 . 1 1 89 89 VAL CA C 434 61.827 61.827 60.688 1.139 18297 3885 1 8 . 1 1 89 89 VAL CB C 434 33.937 33.937 33.214 0.723 18297 3886 1 8 . 1 1 89 89 VAL H H 434 9.275 9.275 9.014 0.261 18297 3887 1 8 . 1 1 90 90 LEU N N 435 125.755 125.755 125.068 0.687 18297 3888 1 8 . 1 1 90 90 LEU HA H 435 5.304 5.304 5.346 -0.042 18297 3889 1 8 . 1 1 90 90 LEU C C 435 176.455 176.455 175.958 0.497 18297 3890 1 8 . 1 1 90 90 LEU CA C 435 53.396 53.396 52.779 0.617 18297 3891 1 8 . 1 1 90 90 LEU CB C 435 44.023 44.023 42.771 1.252 18297 3892 1 8 . 1 1 90 90 LEU H H 435 8.169 8.169 8.488 -0.319 18297 3893 1 8 . 1 1 91 91 PHE N N 436 120.743 120.743 122.371 -1.628 18297 3894 1 8 . 1 1 91 91 PHE HA H 436 5.314 5.314 5.510 -0.196 18297 3895 1 8 . 1 1 91 91 PHE C C 436 174.788 174.788 175.493 -0.705 18297 3896 1 8 . 1 1 91 91 PHE CA C 436 56.327 56.327 56.157 0.169 18297 3897 1 8 . 1 1 91 91 PHE CB C 436 43.330 43.330 42.779 0.551 18297 3898 1 8 . 1 1 91 91 PHE H H 436 9.222 9.222 9.286 -0.064 18297 3899 1 8 . 1 1 92 92 LYS N N 437 123.120 123.120 123.154 -0.034 18297 3900 1 8 . 1 1 92 92 LYS HA H 437 4.708 4.708 5.338 -0.630 18297 3901 1 8 . 1 1 92 92 LYS C C 437 174.606 174.606 175.129 -0.523 18297 3902 1 8 . 1 1 92 92 LYS CA C 437 55.139 55.139 54.714 0.425 18297 3903 1 8 . 1 1 92 92 LYS CB C 437 34.269 34.269 34.086 0.183 18297 3904 1 8 . 1 1 92 92 LYS H H 437 8.908 8.908 9.322 -0.414 18297 3905 1 8 . 1 1 93 93 LEU N N 438 128.422 128.422 126.679 1.743 18297 3906 1 8 . 1 1 93 93 LEU HA H 438 4.480 4.480 4.936 -0.456 18297 3907 1 8 . 1 1 93 93 LEU C C 438 175.327 175.327 174.858 0.469 18297 3908 1 8 . 1 1 93 93 LEU CA C 438 55.139 55.139 53.676 1.462 18297 3909 1 8 . 1 1 93 93 LEU CB C 438 43.976 43.976 43.470 0.506 18297 3910 1 8 . 1 1 93 93 LEU H H 438 8.755 8.755 8.322 0.433 18297 3911 1 8 . 1 1 94 94 HIS N N 439 123.859 123.859 126.565 -2.706 18297 3912 1 8 . 1 1 94 94 HIS HA H 439 5.180 5.180 4.818 0.362 18297 3913 1 8 . 1 1 94 94 HIS C C 439 174.297 174.297 173.583 0.714 18297 3914 1 8 . 1 1 94 94 HIS CA C 439 53.396 53.396 54.185 -0.789 18297 3915 1 8 . 1 1 94 94 HIS CB C 439 30.786 30.786 32.989 -2.203 18297 3916 1 8 . 1 1 94 94 HIS H H 439 8.891 8.891 9.287 -0.396 18297 3917 1 8 . 1 1 95 95 PHE N N 440 123.544 123.544 123.927 -0.383 18297 3918 1 8 . 1 1 95 95 PHE HA H 440 6.231 6.231 5.811 0.420 18297 3919 1 8 . 1 1 95 95 PHE C C 440 178.229 178.229 176.596 1.633 18297 3920 1 8 . 1 1 95 95 PHE CA C 440 53.690 53.690 57.334 -3.643 18297 3921 1 8 . 1 1 95 95 PHE CB C 440 39.477 39.477 40.332 -0.855 18297 3922 1 8 . 1 1 95 95 PHE H H 440 8.896 8.896 8.859 0.037 18297 3923 1 8 . 1 1 96 96 THR N N 441 114.382 114.382 119.602 -5.220 18297 3924 1 8 . 1 1 96 96 THR HA H 441 4.617 4.617 4.643 -0.026 18297 3925 1 8 . 1 1 96 96 THR C C 441 173.867 173.867 173.605 0.262 18297 3926 1 8 . 1 1 96 96 THR CA C 441 61.327 61.327 60.677 0.650 18297 3927 1 8 . 1 1 96 96 THR CB C 441 69.561 69.561 69.802 -0.241 18297 3928 1 8 . 1 1 96 96 THR H H 441 7.973 7.973 9.021 -1.048 18297 3929 1 9 . 1 1 2 2 SER HA H 347 4.570 4.570 4.728 -0.158 18297 3930 1 9 . 1 1 2 2 SER C C 347 174.335 174.335 174.114 0.221 18297 3931 1 9 . 1 1 2 2 SER CA C 347 58.350 58.350 57.761 0.589 18297 3932 1 9 . 1 1 2 2 SER CB C 347 63.999 63.999 65.178 -1.179 18297 3933 1 9 . 1 1 3 3 GLN N N 348 122.478 122.478 123.459 -0.981 18297 3934 1 9 . 1 1 3 3 GLN HA H 348 4.430 4.430 4.354 0.076 18297 3935 1 9 . 1 1 3 3 GLN C C 348 175.651 175.651 175.688 -0.037 18297 3936 1 9 . 1 1 3 3 GLN CA C 348 55.743 55.743 56.037 -0.294 18297 3937 1 9 . 1 1 3 3 GLN CB C 348 29.750 29.750 29.532 0.218 18297 3938 1 9 . 1 1 3 3 GLN H H 348 8.532 8.532 8.652 -0.120 18297 3939 1 9 . 1 1 4 4 LEU N N 349 125.369 125.369 122.564 2.805 18297 3940 1 9 . 1 1 4 4 LEU HA H 349 4.634 4.634 4.472 0.162 18297 3941 1 9 . 1 1 4 4 LEU C C 349 175.324 175.324 175.559 -0.235 18297 3942 1 9 . 1 1 4 4 LEU CA C 349 53.197 53.197 52.757 0.440 18297 3943 1 9 . 1 1 4 4 LEU CB C 349 41.867 41.867 40.316 1.551 18297 3944 1 9 . 1 1 4 4 LEU H H 349 8.403 8.403 7.711 0.692 18297 3945 1 9 . 1 1 5 5 PRO HA H 350 4.360 4.360 4.789 -0.429 18297 3946 1 9 . 1 1 5 5 PRO C C 350 176.639 176.639 175.882 0.757 18297 3947 1 9 . 1 1 5 5 PRO CA C 350 62.748 62.748 62.729 0.019 18297 3948 1 9 . 1 1 5 5 PRO CB C 350 32.319 32.319 32.444 -0.124 18297 3949 1 9 . 1 1 6 6 GLN N N 351 121.707 121.707 124.377 -2.670 18297 3950 1 9 . 1 1 6 6 GLN HA H 351 4.428 4.428 4.505 -0.077 18297 3951 1 9 . 1 1 6 6 GLN C C 351 175.898 175.898 174.766 1.132 18297 3952 1 9 . 1 1 6 6 GLN CA C 351 55.678 55.678 54.858 0.820 18297 3953 1 9 . 1 1 6 6 GLN CB C 351 30.054 30.054 31.048 -0.994 18297 3954 1 9 . 1 1 6 6 GLN H H 351 8.255 8.255 9.083 -0.828 18297 3955 1 9 . 1 1 7 7 ASN N N 352 123.275 123.275 123.197 0.078 18297 3956 1 9 . 1 1 7 7 ASN HA H 352 5.470 5.470 5.572 -0.102 18297 3957 1 9 . 1 1 7 7 ASN C C 352 175.324 175.324 174.684 0.640 18297 3958 1 9 . 1 1 7 7 ASN CA C 352 54.009 54.009 52.027 1.982 18297 3959 1 9 . 1 1 7 7 ASN CB C 352 40.414 40.414 40.444 -0.029 18297 3960 1 9 . 1 1 7 7 ASN H H 352 8.860 8.860 8.591 0.269 18297 3961 1 9 . 1 1 8 8 ILE N N 353 119.104 119.104 117.250 1.854 18297 3962 1 9 . 1 1 8 8 ILE HA H 353 4.625 4.625 4.538 0.087 18297 3963 1 9 . 1 1 8 8 ILE C C 353 173.669 173.669 174.261 -0.592 18297 3964 1 9 . 1 1 8 8 ILE CA C 353 60.201 60.201 60.069 0.132 18297 3965 1 9 . 1 1 8 8 ILE CB C 353 41.404 41.404 41.279 0.125 18297 3966 1 9 . 1 1 8 8 ILE H H 353 8.808 8.808 9.051 -0.243 18297 3967 1 9 . 1 1 9 9 GLN N N 354 122.671 122.671 124.344 -1.673 18297 3968 1 9 . 1 1 9 9 GLN HA H 354 5.586 5.586 5.439 0.147 18297 3969 1 9 . 1 1 9 9 GLN C C 354 174.274 174.274 174.974 -0.700 18297 3970 1 9 . 1 1 9 9 GLN CA C 354 54.491 54.491 54.892 -0.401 18297 3971 1 9 . 1 1 9 9 GLN CB C 354 31.120 31.120 30.290 0.830 18297 3972 1 9 . 1 1 9 9 GLN H H 354 8.021 8.021 8.358 -0.337 18297 3973 1 9 . 1 1 10 10 PHE N N 355 120.679 120.679 122.840 -2.161 18297 3974 1 9 . 1 1 10 10 PHE HA H 355 4.635 4.635 4.738 -0.103 18297 3975 1 9 . 1 1 10 10 PHE C C 355 174.715 174.715 174.563 0.152 18297 3976 1 9 . 1 1 10 10 PHE CA C 355 57.226 57.226 56.823 0.403 18297 3977 1 9 . 1 1 10 10 PHE CB C 355 45.969 45.969 43.550 2.419 18297 3978 1 9 . 1 1 10 10 PHE H H 355 8.403 8.403 9.262 -0.859 18297 3979 1 9 . 1 1 11 11 SER N N 356 116.116 116.116 117.193 -1.077 18297 3980 1 9 . 1 1 11 11 SER HA H 356 5.020 5.020 5.298 -0.278 18297 3981 1 9 . 1 1 11 11 SER C C 356 174.917 174.917 174.933 -0.016 18297 3982 1 9 . 1 1 11 11 SER CA C 356 56.110 56.110 54.963 1.147 18297 3983 1 9 . 1 1 11 11 SER CB C 356 63.879 63.879 64.305 -0.426 18297 3984 1 9 . 1 1 11 11 SER H H 356 8.757 8.757 8.772 -0.015 18297 3985 1 9 . 1 1 12 12 PRO HA H 357 3.776 3.776 4.451 -0.675 18297 3986 1 9 . 1 1 12 12 PRO C C 357 176.155 176.155 177.369 -1.214 18297 3987 1 9 . 1 1 12 12 PRO CA C 357 64.886 64.886 64.861 0.025 18297 3988 1 9 . 1 1 12 12 PRO CB C 357 31.222 31.222 31.514 -0.291 18297 3989 1 9 . 1 1 13 13 SER N N 358 107.859 107.859 113.885 -6.026 18297 3990 1 9 . 1 1 13 13 SER HA H 358 4.388 4.388 4.422 -0.034 18297 3991 1 9 . 1 1 13 13 SER C C 358 173.972 173.972 175.066 -1.094 18297 3992 1 9 . 1 1 13 13 SER CA C 358 57.728 57.728 58.327 -0.599 18297 3993 1 9 . 1 1 13 13 SER CB C 358 63.879 63.879 63.230 0.649 18297 3994 1 9 . 1 1 13 13 SER H H 358 7.636 7.636 7.666 -0.030 18297 3995 1 9 . 1 1 14 14 ALA N N 359 126.012 126.012 125.806 0.206 18297 3996 1 9 . 1 1 14 14 ALA HA H 359 4.320 4.320 4.462 -0.142 18297 3997 1 9 . 1 1 14 14 ALA C C 359 177.288 177.288 176.216 1.072 18297 3998 1 9 . 1 1 14 14 ALA CA C 359 52.849 52.849 51.960 0.889 18297 3999 1 9 . 1 1 14 14 ALA CB C 359 19.372 19.372 20.578 -1.206 18297 4000 1 9 . 1 1 14 14 ALA H H 359 7.937 7.937 7.940 -0.003 18297 4001 1 9 . 1 1 15 15 LYS N N 360 119.699 119.699 122.323 -2.624 18297 4002 1 9 . 1 1 15 15 LYS HA H 360 4.751 4.751 4.715 0.036 18297 4003 1 9 . 1 1 15 15 LYS C C 360 179.638 179.638 177.768 1.870 18297 4004 1 9 . 1 1 15 15 LYS CA C 360 54.815 54.815 55.591 -0.776 18297 4005 1 9 . 1 1 15 15 LYS CB C 360 33.127 33.127 33.305 -0.178 18297 4006 1 9 . 1 1 15 15 LYS H H 360 8.523 8.523 9.452 -0.929 18297 4007 1 9 . 1 1 16 16 LEU N N 361 123.297 123.297 124.350 -1.053 18297 4008 1 9 . 1 1 16 16 LEU HA H 361 3.828 3.828 3.872 -0.044 18297 4009 1 9 . 1 1 16 16 LEU C C 361 178.714 178.714 178.023 0.691 18297 4010 1 9 . 1 1 16 16 LEU CA C 361 58.321 58.321 57.697 0.624 18297 4011 1 9 . 1 1 16 16 LEU CB C 361 40.240 40.240 41.373 -1.133 18297 4012 1 9 . 1 1 16 16 LEU H H 361 8.383 8.383 8.491 -0.108 18297 4013 1 9 . 1 1 17 17 GLN N N 362 117.900 117.900 118.624 -0.724 18297 4014 1 9 . 1 1 17 17 GLN HA H 362 3.621 3.621 3.836 -0.215 18297 4015 1 9 . 1 1 17 17 GLN C C 362 176.370 176.370 177.975 -1.605 18297 4016 1 9 . 1 1 17 17 GLN CA C 362 58.547 58.547 59.649 -1.102 18297 4017 1 9 . 1 1 17 17 GLN CB C 362 29.442 29.442 28.594 0.848 18297 4018 1 9 . 1 1 17 17 GLN H H 362 8.766 8.766 8.490 0.276 18297 4019 1 9 . 1 1 18 18 GLU N N 363 116.341 116.341 119.636 -3.295 18297 4020 1 9 . 1 1 18 18 GLU HA H 363 4.201 4.201 4.094 0.107 18297 4021 1 9 . 1 1 18 18 GLU C C 363 180.135 180.135 179.288 0.847 18297 4022 1 9 . 1 1 18 18 GLU CA C 363 59.669 59.669 59.235 0.434 18297 4023 1 9 . 1 1 18 18 GLU CB C 363 29.870 29.870 29.650 0.220 18297 4024 1 9 . 1 1 18 18 GLU H H 363 7.783 7.783 7.629 0.154 18297 4025 1 9 . 1 1 19 19 VAL N N 364 120.647 120.647 119.793 0.854 18297 4026 1 9 . 1 1 19 19 VAL HA H 364 3.421 3.421 3.558 -0.137 18297 4027 1 9 . 1 1 19 19 VAL C C 364 177.380 177.380 178.215 -0.835 18297 4028 1 9 . 1 1 19 19 VAL CA C 364 65.433 65.433 65.823 -0.390 18297 4029 1 9 . 1 1 19 19 VAL CB C 364 30.964 30.964 31.491 -0.527 18297 4030 1 9 . 1 1 19 19 VAL H H 364 7.224 7.224 7.347 -0.123 18297 4031 1 9 . 1 1 20 20 LEU N N 365 120.743 120.743 120.328 0.415 18297 4032 1 9 . 1 1 20 20 LEU HA H 365 3.916 3.916 4.173 -0.257 18297 4033 1 9 . 1 1 20 20 LEU C C 365 178.974 178.974 178.427 0.547 18297 4034 1 9 . 1 1 20 20 LEU CA C 365 58.612 58.612 58.160 0.452 18297 4035 1 9 . 1 1 20 20 LEU CB C 365 41.425 41.425 41.799 -0.374 18297 4036 1 9 . 1 1 20 20 LEU H H 365 7.517 7.517 8.219 -0.702 18297 4037 1 9 . 1 1 21 21 ASP N N 366 119.329 119.329 118.405 0.924 18297 4038 1 9 . 1 1 21 21 ASP HA H 366 4.306 4.306 4.427 -0.121 18297 4039 1 9 . 1 1 21 21 ASP C C 366 177.992 177.992 179.345 -1.353 18297 4040 1 9 . 1 1 21 21 ASP CA C 366 57.405 57.405 57.606 -0.201 18297 4041 1 9 . 1 1 21 21 ASP CB C 366 40.265 40.265 40.960 -0.695 18297 4042 1 9 . 1 1 21 21 ASP H H 366 8.805 8.805 8.532 0.273 18297 4043 1 9 . 1 1 22 22 TYR N N 367 121.643 121.643 120.550 1.093 18297 4044 1 9 . 1 1 22 22 TYR HA H 367 4.305 4.305 4.353 -0.048 18297 4045 1 9 . 1 1 22 22 TYR C C 367 177.701 177.701 176.681 1.020 18297 4046 1 9 . 1 1 22 22 TYR CA C 367 61.777 61.777 60.277 1.500 18297 4047 1 9 . 1 1 22 22 TYR CB C 367 38.801 38.801 38.722 0.079 18297 4048 1 9 . 1 1 22 22 TYR H H 367 7.718 7.718 7.942 -0.224 18297 4049 1 9 . 1 1 23 23 LEU N N 368 118.414 118.414 118.921 -0.507 18297 4050 1 9 . 1 1 23 23 LEU HA H 368 3.910 3.910 3.991 -0.081 18297 4051 1 9 . 1 1 23 23 LEU C C 368 178.019 178.019 177.799 0.220 18297 4052 1 9 . 1 1 23 23 LEU CA C 368 57.773 57.773 57.460 0.313 18297 4053 1 9 . 1 1 23 23 LEU CB C 368 42.032 42.032 42.275 -0.243 18297 4054 1 9 . 1 1 23 23 LEU H H 368 8.060 8.060 7.474 0.586 18297 4055 1 9 . 1 1 24 24 THR N N 369 106.606 106.606 110.013 -3.407 18297 4056 1 9 . 1 1 24 24 THR HA H 369 4.507 4.507 4.324 0.183 18297 4057 1 9 . 1 1 24 24 THR C C 369 176.576 176.576 173.687 2.889 18297 4058 1 9 . 1 1 24 24 THR CA C 369 63.245 63.245 62.779 0.466 18297 4059 1 9 . 1 1 24 24 THR CB C 369 70.517 70.517 70.056 0.461 18297 4060 1 9 . 1 1 24 24 THR H H 369 8.017 8.017 8.335 -0.318 18297 4061 1 9 . 1 1 25 25 ASN N N 370 118.847 118.847 119.163 -0.316 18297 4062 1 9 . 1 1 25 25 ASN HA H 370 4.846 4.846 4.891 -0.045 18297 4063 1 9 . 1 1 25 25 ASN C C 370 176.455 176.455 175.168 1.287 18297 4064 1 9 . 1 1 25 25 ASN CA C 370 53.944 53.944 52.469 1.475 18297 4065 1 9 . 1 1 25 25 ASN CB C 370 39.718 39.718 41.691 -1.974 18297 4066 1 9 . 1 1 25 25 ASN H H 370 8.149 8.149 8.353 -0.204 18297 4067 1 9 . 1 1 26 26 SER N N 371 116.888 116.888 117.986 -1.098 18297 4068 1 9 . 1 1 26 26 SER HA H 371 4.375 4.375 4.449 -0.074 18297 4069 1 9 . 1 1 26 26 SER C C 371 176.257 176.257 175.181 1.076 18297 4070 1 9 . 1 1 26 26 SER CA C 371 59.603 59.603 61.117 -1.514 18297 4071 1 9 . 1 1 26 26 SER CB C 371 63.792 63.792 63.415 0.377 18297 4072 1 9 . 1 1 26 26 SER H H 371 7.889 7.889 8.568 -0.679 18297 4073 1 9 . 1 1 27 27 ALA N N 372 128.743 128.743 121.551 7.192 18297 4074 1 9 . 1 1 27 27 ALA HA H 372 4.228 4.228 4.388 -0.160 18297 4075 1 9 . 1 1 27 27 ALA C C 372 178.538 178.538 179.581 -1.043 18297 4076 1 9 . 1 1 27 27 ALA CA C 372 54.491 54.491 54.370 0.122 18297 4077 1 9 . 1 1 27 27 ALA CB C 372 18.772 18.772 18.738 0.034 18297 4078 1 9 . 1 1 27 27 ALA H H 372 8.836 8.836 8.090 0.746 18297 4079 1 9 . 1 1 28 28 SER N N 373 110.751 110.751 114.321 -3.570 18297 4080 1 9 . 1 1 28 28 SER HA H 373 4.426 4.426 4.380 0.046 18297 4081 1 9 . 1 1 28 28 SER C C 373 174.548 174.548 175.423 -0.875 18297 4082 1 9 . 1 1 28 28 SER CA C 373 59.415 59.415 60.508 -1.093 18297 4083 1 9 . 1 1 28 28 SER CB C 373 63.394 63.394 62.959 0.435 18297 4084 1 9 . 1 1 28 28 SER H H 373 8.069 8.069 8.417 -0.348 18297 4085 1 9 . 1 1 29 29 LEU N N 374 122.012 122.012 121.044 0.968 18297 4086 1 9 . 1 1 29 29 LEU HA H 374 4.465 4.465 4.524 -0.059 18297 4087 1 9 . 1 1 29 29 LEU C C 374 175.716 175.716 176.733 -1.017 18297 4088 1 9 . 1 1 29 29 LEU CA C 374 56.132 56.132 54.182 1.950 18297 4089 1 9 . 1 1 29 29 LEU CB C 374 44.295 44.295 41.919 2.376 18297 4090 1 9 . 1 1 29 29 LEU H H 374 7.547 7.547 7.763 -0.216 18297 4091 1 9 . 1 1 30 30 GLN N N 375 116.052 116.052 118.017 -1.965 18297 4092 1 9 . 1 1 30 30 GLN HA H 375 4.003 4.003 4.033 -0.030 18297 4093 1 9 . 1 1 30 30 GLN C C 375 175.498 175.498 176.735 -1.237 18297 4094 1 9 . 1 1 30 30 GLN CA C 375 56.434 56.434 58.505 -2.071 18297 4095 1 9 . 1 1 30 30 GLN CB C 375 27.948 27.948 28.577 -0.629 18297 4096 1 9 . 1 1 30 30 GLN H H 375 8.060 8.060 7.655 0.405 18297 4097 1 9 . 1 1 31 31 MET N N 376 117.691 117.691 115.195 2.496 18297 4098 1 9 . 1 1 31 31 MET HA H 376 4.283 4.283 4.662 -0.379 18297 4099 1 9 . 1 1 31 31 MET C C 376 175.843 175.843 177.094 -1.251 18297 4100 1 9 . 1 1 31 31 MET CA C 376 57.728 57.728 55.281 2.447 18297 4101 1 9 . 1 1 31 31 MET CB C 376 33.451 33.451 32.978 0.472 18297 4102 1 9 . 1 1 31 31 MET H H 376 8.211 8.211 8.232 -0.021 18297 4103 1 9 . 1 1 32 32 LYS N N 377 122.028 122.028 118.035 3.993 18297 4104 1 9 . 1 1 32 32 LYS HA H 377 4.414 4.414 4.296 0.118 18297 4105 1 9 . 1 1 32 32 LYS C C 377 177.837 177.837 176.523 1.314 18297 4106 1 9 . 1 1 32 32 LYS CA C 377 58.052 58.052 56.556 1.496 18297 4107 1 9 . 1 1 32 32 LYS CB C 377 34.994 34.994 32.413 2.581 18297 4108 1 9 . 1 1 32 32 LYS H H 377 9.461 9.461 8.180 1.281 18297 4109 1 9 . 1 1 33 33 SER N N 378 115.056 115.056 116.451 -1.395 18297 4110 1 9 . 1 1 33 33 SER HA H 378 4.650 4.650 4.455 0.195 18297 4111 1 9 . 1 1 33 33 SER C C 378 172.026 172.026 173.141 -1.115 18297 4112 1 9 . 1 1 33 33 SER CA C 378 55.038 55.038 56.332 -1.294 18297 4113 1 9 . 1 1 33 33 SER CB C 378 62.908 62.908 63.559 -0.651 18297 4114 1 9 . 1 1 33 33 SER H H 378 10.101 10.101 7.511 2.590 18297 4115 1 9 . 1 1 34 34 PRO HA H 379 5.043 5.043 4.572 0.471 18297 4116 1 9 . 1 1 34 34 PRO C C 379 175.422 175.422 175.239 0.183 18297 4117 1 9 . 1 1 34 34 PRO CA C 379 63.792 63.792 62.495 1.297 18297 4118 1 9 . 1 1 34 34 PRO CB C 379 33.703 33.703 32.765 0.938 18297 4119 1 9 . 1 1 35 35 ALA N N 380 121.498 121.498 122.734 -1.236 18297 4120 1 9 . 1 1 35 35 ALA HA H 380 5.137 5.137 5.030 0.107 18297 4121 1 9 . 1 1 35 35 ALA C C 380 177.313 177.313 175.917 1.396 18297 4122 1 9 . 1 1 35 35 ALA CA C 380 50.661 50.661 50.358 0.303 18297 4123 1 9 . 1 1 35 35 ALA CB C 380 22.118 22.118 22.346 -0.228 18297 4124 1 9 . 1 1 35 35 ALA H H 380 8.894 8.894 8.535 0.359 18297 4125 1 9 . 1 1 36 36 ILE N N 381 120.470 120.470 124.379 -3.909 18297 4126 1 9 . 1 1 36 36 ILE HA H 381 4.967 4.967 4.887 0.080 18297 4127 1 9 . 1 1 36 36 ILE C C 381 175.314 175.314 175.595 -0.281 18297 4128 1 9 . 1 1 36 36 ILE CA C 381 61.056 61.056 60.085 0.971 18297 4129 1 9 . 1 1 36 36 ILE CB C 381 41.364 41.364 39.793 1.571 18297 4130 1 9 . 1 1 36 36 ILE H H 381 9.038 9.038 8.042 0.996 18297 4131 1 9 . 1 1 37 37 THR N N 382 123.297 123.297 122.942 0.355 18297 4132 1 9 . 1 1 37 37 THR HA H 382 5.252 5.252 5.041 0.211 18297 4133 1 9 . 1 1 37 37 THR C C 382 172.289 172.289 172.730 -0.441 18297 4134 1 9 . 1 1 37 37 THR CA C 382 60.977 60.977 60.893 0.084 18297 4135 1 9 . 1 1 37 37 THR CB C 382 71.919 71.919 71.219 0.700 18297 4136 1 9 . 1 1 37 37 THR H H 382 9.363 9.363 9.043 0.320 18297 4137 1 9 . 1 1 38 38 ALA N N 383 123.340 123.340 127.220 -3.880 18297 4138 1 9 . 1 1 38 38 ALA HA H 383 4.935 4.935 5.028 -0.093 18297 4139 1 9 . 1 1 38 38 ALA C C 383 175.743 175.743 175.637 0.106 18297 4140 1 9 . 1 1 38 38 ALA CA C 383 51.147 51.147 50.239 0.908 18297 4141 1 9 . 1 1 38 38 ALA CB C 383 22.758 22.758 22.845 -0.087 18297 4142 1 9 . 1 1 38 38 ALA H H 383 8.896 8.896 9.073 -0.177 18297 4143 1 9 . 1 1 39 39 THR N N 384 118.815 118.815 114.934 3.881 18297 4144 1 9 . 1 1 39 39 THR HA H 384 4.892 4.892 5.353 -0.461 18297 4145 1 9 . 1 1 39 39 THR C C 384 174.098 174.098 174.668 -0.570 18297 4146 1 9 . 1 1 39 39 THR CA C 384 62.310 62.310 60.710 1.600 18297 4147 1 9 . 1 1 39 39 THR CB C 384 69.263 69.263 69.408 -0.145 18297 4148 1 9 . 1 1 39 39 THR H H 384 8.968 8.968 8.663 0.305 18297 4149 1 9 . 1 1 40 40 LEU N N 385 128.711 128.711 127.946 0.765 18297 4150 1 9 . 1 1 40 40 LEU HA H 385 4.791 4.791 4.683 0.108 18297 4151 1 9 . 1 1 40 40 LEU C C 385 176.479 176.479 177.121 -0.642 18297 4152 1 9 . 1 1 40 40 LEU CA C 385 53.944 53.944 54.028 -0.084 18297 4153 1 9 . 1 1 40 40 LEU CB C 385 44.966 44.966 43.360 1.606 18297 4154 1 9 . 1 1 40 40 LEU H H 385 8.667 8.667 9.135 -0.468 18297 4155 1 9 . 1 1 41 41 GLU N N 386 124.470 124.470 125.699 -1.229 18297 4156 1 9 . 1 1 41 41 GLU HA H 386 3.936 3.936 3.966 -0.030 18297 4157 1 9 . 1 1 41 41 GLU C C 386 176.878 176.878 176.634 0.244 18297 4158 1 9 . 1 1 41 41 GLU CA C 386 57.226 57.226 56.965 0.261 18297 4159 1 9 . 1 1 41 41 GLU CB C 386 27.735 27.735 27.782 -0.047 18297 4160 1 9 . 1 1 41 41 GLU H H 386 9.547 9.547 9.469 0.078 18297 4161 1 9 . 1 1 42 42 GLY N N 387 104.068 104.068 102.645 1.423 18297 4162 1 9 . 1 1 42 42 GLY C C 387 173.993 173.993 173.949 0.044 18297 4163 1 9 . 1 1 42 42 GLY CA C 387 45.596 45.596 45.138 0.458 18297 4164 1 9 . 1 1 42 42 GLY H H 387 8.578 8.578 8.315 0.263 18297 4165 1 9 . 1 1 43 43 LYS N N 388 120.422 120.422 122.068 -1.646 18297 4166 1 9 . 1 1 43 43 LYS HA H 388 4.701 4.701 4.501 0.200 18297 4167 1 9 . 1 1 43 43 LYS C C 388 175.054 175.054 175.522 -0.468 18297 4168 1 9 . 1 1 43 43 LYS CA C 388 54.491 54.491 54.381 0.110 18297 4169 1 9 . 1 1 43 43 LYS CB C 388 34.968 34.968 33.405 1.563 18297 4170 1 9 . 1 1 43 43 LYS H H 388 7.826 7.826 7.905 -0.079 18297 4171 1 9 . 1 1 44 44 ASN N N 389 122.606 122.606 122.439 0.167 18297 4172 1 9 . 1 1 44 44 ASN HA H 389 4.895 4.895 5.090 -0.195 18297 4173 1 9 . 1 1 44 44 ASN C C 389 174.905 174.905 174.709 0.196 18297 4174 1 9 . 1 1 44 44 ASN CA C 389 53.944 53.944 53.295 0.649 18297 4175 1 9 . 1 1 44 44 ASN CB C 389 39.229 39.229 39.637 -0.408 18297 4176 1 9 . 1 1 44 44 ASN H H 389 8.827 8.827 8.840 -0.013 18297 4177 1 9 . 1 1 45 45 ARG N N 390 125.867 125.867 127.299 -1.432 18297 4178 1 9 . 1 1 45 45 ARG HA H 390 4.756 4.756 4.725 0.031 18297 4179 1 9 . 1 1 45 45 ARG C C 390 175.224 175.224 174.704 0.520 18297 4180 1 9 . 1 1 45 45 ARG CA C 390 54.491 54.491 53.819 0.672 18297 4181 1 9 . 1 1 45 45 ARG CB C 390 32.973 32.973 32.285 0.688 18297 4182 1 9 . 1 1 45 45 ARG H H 390 9.220 9.220 9.190 0.030 18297 4183 1 9 . 1 1 46 46 THR N N 391 122.574 122.574 123.077 -0.503 18297 4184 1 9 . 1 1 46 46 THR HA H 391 4.289 4.289 4.731 -0.442 18297 4185 1 9 . 1 1 46 46 THR C C 391 174.010 174.010 174.165 -0.155 18297 4186 1 9 . 1 1 46 46 THR CA C 391 63.509 63.509 62.991 0.518 18297 4187 1 9 . 1 1 46 46 THR CB C 391 68.716 68.716 69.231 -0.515 18297 4188 1 9 . 1 1 46 46 THR H H 391 8.940 8.940 8.778 0.162 18297 4189 1 9 . 1 1 47 47 LEU N N 392 128.647 128.647 125.543 3.104 18297 4190 1 9 . 1 1 47 47 LEU HA H 392 4.339 4.339 4.503 -0.164 18297 4191 1 9 . 1 1 47 47 LEU C C 392 176.670 176.670 176.918 -0.248 18297 4192 1 9 . 1 1 47 47 LEU CA C 392 56.132 56.132 55.571 0.561 18297 4193 1 9 . 1 1 47 47 LEU CB C 392 42.678 42.678 42.911 -0.233 18297 4194 1 9 . 1 1 47 47 LEU H H 392 9.096 9.096 8.079 1.017 18297 4195 1 9 . 1 1 48 48 TYR N N 393 113.514 113.514 118.685 -5.171 18297 4196 1 9 . 1 1 48 48 TYR HA H 393 4.618 4.618 4.490 0.128 18297 4197 1 9 . 1 1 48 48 TYR C C 393 173.455 173.455 174.516 -1.061 18297 4198 1 9 . 1 1 48 48 TYR CA C 393 59.415 59.415 58.069 1.346 18297 4199 1 9 . 1 1 48 48 TYR CB C 393 41.384 41.384 36.229 5.155 18297 4200 1 9 . 1 1 48 48 TYR H H 393 7.562 7.562 7.799 -0.237 18297 4201 1 9 . 1 1 57 57 GLU N N 402 128.181 128.181 120.407 7.774 18297 4202 1 9 . 1 1 57 57 GLU H H 402 8.645 8.645 8.675 -0.030 18297 4203 1 9 . 1 1 58 58 ARG N N 403 117.080 117.080 120.260 -3.180 18297 4204 1 9 . 1 1 58 58 ARG HA H 403 4.302 4.302 4.577 -0.275 18297 4205 1 9 . 1 1 58 58 ARG CA C 403 58.321 58.321 55.212 3.109 18297 4206 1 9 . 1 1 58 58 ARG CB C 403 31.165 31.165 29.597 1.568 18297 4207 1 9 . 1 1 58 58 ARG H H 403 8.278 8.278 7.958 0.320 18297 4208 1 9 . 1 1 59 59 THR N N 404 108.390 108.390 118.110 -9.720 18297 4209 1 9 . 1 1 59 59 THR HA H 404 4.932 4.932 4.460 0.472 18297 4210 1 9 . 1 1 59 59 THR H H 404 8.301 8.301 7.913 0.388 18297 4211 1 9 . 1 1 60 60 ARG N N 405 126.639 126.639 121.106 5.533 18297 4212 1 9 . 1 1 60 60 ARG H H 405 8.549 8.549 8.706 -0.157 18297 4213 1 9 . 1 1 61 61 PRO HA H 406 4.431 4.431 4.240 0.191 18297 4214 1 9 . 1 1 61 61 PRO C C 406 178.434 178.434 178.253 0.181 18297 4215 1 9 . 1 1 61 61 PRO CA C 406 65.980 65.980 66.126 -0.146 18297 4216 1 9 . 1 1 61 61 PRO CB C 406 31.348 31.348 30.992 0.356 18297 4217 1 9 . 1 1 62 62 ASN N N 407 114.574 114.574 115.179 -0.605 18297 4218 1 9 . 1 1 62 62 ASN HA H 407 4.390 4.390 4.476 -0.086 18297 4219 1 9 . 1 1 62 62 ASN C C 407 177.863 177.863 177.671 0.192 18297 4220 1 9 . 1 1 62 62 ASN CA C 407 55.308 55.308 55.467 -0.159 18297 4221 1 9 . 1 1 62 62 ASN CB C 407 37.530 37.530 37.861 -0.331 18297 4222 1 9 . 1 1 62 62 ASN H H 407 8.481 8.481 7.700 0.781 18297 4223 1 9 . 1 1 63 63 LEU N N 408 115.667 115.667 120.786 -5.119 18297 4224 1 9 . 1 1 63 63 LEU HA H 408 3.861 3.861 4.055 -0.194 18297 4225 1 9 . 1 1 63 63 LEU C C 408 177.708 177.708 178.677 -0.969 18297 4226 1 9 . 1 1 63 63 LEU CA C 408 57.667 57.667 57.725 -0.058 18297 4227 1 9 . 1 1 63 63 LEU CB C 408 41.706 41.706 41.584 0.122 18297 4228 1 9 . 1 1 63 63 LEU H H 408 8.022 8.022 7.341 0.681 18297 4229 1 9 . 1 1 64 64 SER N N 409 109.209 109.209 111.940 -2.731 18297 4230 1 9 . 1 1 64 64 SER HA H 409 4.588 4.588 4.353 0.235 18297 4231 1 9 . 1 1 64 64 SER C C 409 173.870 173.870 174.214 -0.344 18297 4232 1 9 . 1 1 64 64 SER CA C 409 58.321 58.321 59.722 -1.401 18297 4233 1 9 . 1 1 64 64 SER CB C 409 63.855 63.855 63.165 0.690 18297 4234 1 9 . 1 1 64 64 SER H H 409 7.232 7.232 8.096 -0.864 18297 4235 1 9 . 1 1 65 65 LYS N N 410 122.735 122.735 121.018 1.717 18297 4236 1 9 . 1 1 65 65 LYS HA H 410 4.609 4.609 4.552 0.057 18297 4237 1 9 . 1 1 65 65 LYS C C 410 175.946 175.946 175.799 0.147 18297 4238 1 9 . 1 1 65 65 LYS CA C 410 55.463 55.463 54.430 1.033 18297 4239 1 9 . 1 1 65 65 LYS CB C 410 34.422 34.422 33.635 0.787 18297 4240 1 9 . 1 1 65 65 LYS H H 410 7.543 7.543 7.176 0.367 18297 4241 1 9 . 1 1 66 66 THR N N 411 110.944 110.944 110.915 0.029 18297 4242 1 9 . 1 1 66 66 THR HA H 411 5.003 5.003 4.824 0.179 18297 4243 1 9 . 1 1 66 66 THR C C 411 176.038 176.038 176.545 -0.507 18297 4244 1 9 . 1 1 66 66 THR CA C 411 60.221 60.221 60.959 -0.738 18297 4245 1 9 . 1 1 66 66 THR CB C 411 70.956 70.956 70.599 0.357 18297 4246 1 9 . 1 1 66 66 THR H H 411 8.980 8.980 8.070 0.910 18297 4247 1 9 . 1 1 67 67 LEU N N 412 118.076 118.076 121.079 -3.003 18297 4248 1 9 . 1 1 67 67 LEU HA H 412 3.961 3.961 4.010 -0.049 18297 4249 1 9 . 1 1 67 67 LEU C C 412 179.227 179.227 178.802 0.425 18297 4250 1 9 . 1 1 67 67 LEU CA C 412 58.321 58.321 58.540 -0.219 18297 4251 1 9 . 1 1 67 67 LEU CB C 412 39.914 39.914 41.464 -1.550 18297 4252 1 9 . 1 1 67 67 LEU H H 412 8.434 8.434 8.771 -0.337 18297 4253 1 9 . 1 1 68 68 LYS N N 413 116.373 116.373 119.856 -3.483 18297 4254 1 9 . 1 1 68 68 LYS HA H 413 4.285 4.285 3.878 0.407 18297 4255 1 9 . 1 1 68 68 LYS C C 413 181.338 181.338 179.639 1.699 18297 4256 1 9 . 1 1 68 68 LYS CA C 413 58.868 58.868 59.335 -0.467 18297 4257 1 9 . 1 1 68 68 LYS CB C 413 32.606 32.606 32.194 0.412 18297 4258 1 9 . 1 1 68 68 LYS H H 413 8.171 8.171 7.581 0.590 18297 4259 1 9 . 1 1 69 69 GLU N N 414 123.731 123.731 119.859 3.872 18297 4260 1 9 . 1 1 69 69 GLU HA H 414 4.072 4.072 4.081 -0.009 18297 4261 1 9 . 1 1 69 69 GLU C C 414 179.202 179.202 178.464 0.738 18297 4262 1 9 . 1 1 69 69 GLU CA C 414 58.868 58.868 58.714 0.154 18297 4263 1 9 . 1 1 69 69 GLU CB C 414 29.566 29.566 29.288 0.278 18297 4264 1 9 . 1 1 69 69 GLU H H 414 8.326 8.326 7.772 0.554 18297 4265 1 9 . 1 1 70 70 LEU N N 415 119.008 119.008 117.251 1.757 18297 4266 1 9 . 1 1 70 70 LEU HA H 415 4.218 4.218 4.318 -0.100 18297 4267 1 9 . 1 1 70 70 LEU C C 415 176.505 176.505 177.534 -1.029 18297 4268 1 9 . 1 1 70 70 LEU CA C 415 55.822 55.822 55.235 0.587 18297 4269 1 9 . 1 1 70 70 LEU CB C 415 43.012 43.012 42.346 0.666 18297 4270 1 9 . 1 1 70 70 LEU H H 415 7.993 7.993 7.632 0.361 18297 4271 1 9 . 1 1 71 71 GLY N N 416 105.578 105.578 106.342 -0.764 18297 4272 1 9 . 1 1 71 71 GLY C C 416 174.505 174.505 174.649 -0.144 18297 4273 1 9 . 1 1 71 71 GLY CA C 416 45.191 45.191 45.055 0.136 18297 4274 1 9 . 1 1 71 71 GLY H H 416 7.880 7.880 7.522 0.358 18297 4275 1 9 . 1 1 72 72 LEU N N 417 119.201 119.201 121.338 -2.137 18297 4276 1 9 . 1 1 72 72 LEU HA H 417 4.599 4.599 4.441 0.158 18297 4277 1 9 . 1 1 72 72 LEU C C 417 176.208 176.208 176.143 0.065 18297 4278 1 9 . 1 1 72 72 LEU CA C 417 54.815 54.815 55.178 -0.363 18297 4279 1 9 . 1 1 72 72 LEU CB C 417 41.867 41.867 42.921 -1.054 18297 4280 1 9 . 1 1 72 72 LEU H H 417 7.466 7.466 7.835 -0.369 18297 4281 1 9 . 1 1 73 73 VAL N N 418 112.871 112.871 120.464 -7.593 18297 4282 1 9 . 1 1 73 73 VAL HA H 418 4.782 4.782 4.367 0.415 18297 4283 1 9 . 1 1 73 73 VAL C C 418 174.804 174.804 174.926 -0.122 18297 4284 1 9 . 1 1 73 73 VAL CA C 418 59.070 59.070 60.282 -1.212 18297 4285 1 9 . 1 1 73 73 VAL CB C 418 35.557 35.557 35.364 0.193 18297 4286 1 9 . 1 1 73 73 VAL H H 418 8.003 8.003 8.154 -0.151 18297 4287 1 9 . 1 1 74 74 ASP N N 419 119.972 119.972 122.583 -2.611 18297 4288 1 9 . 1 1 74 74 ASP HA H 419 3.593 3.593 4.681 -1.088 18297 4289 1 9 . 1 1 74 74 ASP C C 419 177.545 177.545 177.370 0.175 18297 4290 1 9 . 1 1 74 74 ASP CA C 419 56.419 56.419 54.812 1.607 18297 4291 1 9 . 1 1 74 74 ASP CB C 419 42.035 42.035 40.781 1.254 18297 4292 1 9 . 1 1 74 74 ASP H H 419 8.250 8.250 8.707 -0.457 18297 4293 1 9 . 1 1 75 75 GLY N N 420 116.020 116.020 112.831 3.189 18297 4294 1 9 . 1 1 75 75 GLY C C 420 173.763 173.763 174.499 -0.736 18297 4295 1 9 . 1 1 75 75 GLY CA C 420 45.354 45.354 44.777 0.577 18297 4296 1 9 . 1 1 75 75 GLY H H 420 8.704 8.704 8.527 0.177 18297 4297 1 9 . 1 1 76 76 GLN N N 421 121.514 121.514 120.348 1.166 18297 4298 1 9 . 1 1 76 76 GLN HA H 421 4.048 4.048 4.247 -0.199 18297 4299 1 9 . 1 1 76 76 GLN C C 421 175.023 175.023 175.377 -0.354 18297 4300 1 9 . 1 1 76 76 GLN CA C 421 56.709 56.709 56.142 0.567 18297 4301 1 9 . 1 1 76 76 GLN CB C 421 29.511 29.511 29.488 0.023 18297 4302 1 9 . 1 1 76 76 GLN H H 421 7.867 7.867 7.449 0.418 18297 4303 1 9 . 1 1 77 77 GLU N N 422 123.859 123.859 122.555 1.304 18297 4304 1 9 . 1 1 77 77 GLU HA H 422 5.186 5.186 4.818 0.368 18297 4305 1 9 . 1 1 77 77 GLU C C 422 176.877 176.877 175.691 1.186 18297 4306 1 9 . 1 1 77 77 GLU CA C 422 55.786 55.786 55.903 -0.117 18297 4307 1 9 . 1 1 77 77 GLU CB C 422 31.509 31.509 30.832 0.677 18297 4308 1 9 . 1 1 77 77 GLU H H 422 8.568 8.568 8.643 -0.075 18297 4309 1 9 . 1 1 78 78 LEU N N 423 125.867 125.867 124.716 1.151 18297 4310 1 9 . 1 1 78 78 LEU HA H 423 5.080 5.080 4.672 0.408 18297 4311 1 9 . 1 1 78 78 LEU C C 423 174.470 174.470 175.593 -1.123 18297 4312 1 9 . 1 1 78 78 LEU CA C 423 53.686 53.686 52.818 0.868 18297 4313 1 9 . 1 1 78 78 LEU CB C 423 44.966 44.966 43.310 1.656 18297 4314 1 9 . 1 1 78 78 LEU H H 423 9.313 9.313 9.114 0.199 18297 4315 1 9 . 1 1 79 79 ALA N N 424 126.044 126.044 127.017 -0.973 18297 4316 1 9 . 1 1 79 79 ALA HA H 424 5.206 5.206 4.796 0.410 18297 4317 1 9 . 1 1 79 79 ALA C C 424 176.786 176.786 175.641 1.145 18297 4318 1 9 . 1 1 79 79 ALA CA C 424 51.049 51.049 50.416 0.633 18297 4319 1 9 . 1 1 79 79 ALA CB C 424 20.453 20.453 20.946 -0.493 18297 4320 1 9 . 1 1 79 79 ALA H H 424 8.918 8.918 9.238 -0.320 18297 4321 1 9 . 1 1 80 80 VAL N N 425 124.759 124.759 124.343 0.416 18297 4322 1 9 . 1 1 80 80 VAL HA H 425 5.344 5.344 4.597 0.747 18297 4323 1 9 . 1 1 80 80 VAL C C 425 173.757 173.757 174.473 -0.716 18297 4324 1 9 . 1 1 80 80 VAL CA C 425 60.886 60.886 60.292 0.594 18297 4325 1 9 . 1 1 80 80 VAL CB C 425 34.908 34.908 33.253 1.655 18297 4326 1 9 . 1 1 80 80 VAL H H 425 9.357 9.357 8.714 0.642 18297 4327 1 9 . 1 1 81 81 ALA N N 426 129.353 129.353 129.259 0.094 18297 4328 1 9 . 1 1 81 81 ALA HA H 426 5.045 5.045 4.772 0.273 18297 4329 1 9 . 1 1 81 81 ALA C C 426 175.938 175.938 175.083 0.855 18297 4330 1 9 . 1 1 81 81 ALA CA C 426 50.133 50.133 49.889 0.244 18297 4331 1 9 . 1 1 81 81 ALA CB C 426 22.758 22.758 22.757 0.001 18297 4332 1 9 . 1 1 81 81 ALA H H 426 8.502 8.502 8.955 -0.453 18297 4333 1 9 . 1 1 82 82 ASP N N 427 120.165 120.165 121.933 -1.768 18297 4334 1 9 . 1 1 82 82 ASP HA H 427 5.100 5.100 5.002 0.098 18297 4335 1 9 . 1 1 82 82 ASP C C 427 176.669 176.669 176.295 0.374 18297 4336 1 9 . 1 1 82 82 ASP CA C 427 54.491 54.491 52.352 2.139 18297 4337 1 9 . 1 1 82 82 ASP CB C 427 46.891 46.891 44.735 2.156 18297 4338 1 9 . 1 1 82 82 ASP H H 427 8.906 8.906 7.898 1.008 18297 4339 1 9 . 1 1 83 83 VAL N N 428 119.201 119.201 115.603 3.598 18297 4340 1 9 . 1 1 83 83 VAL HA H 428 4.153 4.153 4.218 -0.065 18297 4341 1 9 . 1 1 83 83 VAL C C 428 177.085 177.085 176.923 0.162 18297 4342 1 9 . 1 1 83 83 VAL CA C 428 63.992 63.992 64.308 -0.316 18297 4343 1 9 . 1 1 83 83 VAL CB C 428 31.772 31.772 31.759 0.013 18297 4344 1 9 . 1 1 83 83 VAL H H 428 8.114 8.114 8.598 -0.484 18297 4345 1 9 . 1 1 84 84 THR N N 429 110.173 110.173 111.257 -1.084 18297 4346 1 9 . 1 1 84 84 THR HA H 429 4.235 4.235 4.520 -0.285 18297 4347 1 9 . 1 1 84 84 THR C C 429 174.905 174.905 174.901 0.004 18297 4348 1 9 . 1 1 84 84 THR CA C 429 63.533 63.533 62.517 1.016 18297 4349 1 9 . 1 1 84 84 THR CB C 429 70.613 70.613 69.602 1.011 18297 4350 1 9 . 1 1 84 84 THR H H 429 7.899 7.899 9.082 -1.183 18297 4351 1 9 . 1 1 85 85 THR N N 430 116.438 116.438 118.528 -2.090 18297 4352 1 9 . 1 1 85 85 THR HA H 430 5.132 5.132 4.819 0.313 18297 4353 1 9 . 1 1 85 85 THR C C 430 173.160 173.160 172.425 0.735 18297 4354 1 9 . 1 1 85 85 THR CA C 430 57.863 57.863 59.881 -2.018 18297 4355 1 9 . 1 1 85 85 THR CB C 430 71.050 71.050 71.128 -0.078 18297 4356 1 9 . 1 1 85 85 THR H H 430 7.810 7.810 7.762 0.048 18297 4357 1 9 . 1 1 86 86 PRO HA H 431 4.582 4.582 4.663 -0.081 18297 4358 1 9 . 1 1 86 86 PRO CA C 431 64.086 64.086 62.725 1.361 18297 4359 1 9 . 1 1 86 86 PRO CB C 431 31.995 31.995 32.265 -0.270 18297 4360 1 9 . 1 1 87 87 GLN N N 432 117.241 117.241 119.573 -2.332 18297 4361 1 9 . 1 1 87 87 GLN HA H 432 4.618 4.618 4.323 0.295 18297 4362 1 9 . 1 1 87 87 GLN C C 432 175.653 175.653 175.729 -0.076 18297 4363 1 9 . 1 1 87 87 GLN CA C 432 54.491 54.491 55.786 -1.295 18297 4364 1 9 . 1 1 87 87 GLN CB C 432 30.799 30.799 28.761 2.038 18297 4365 1 9 . 1 1 87 87 GLN H H 432 7.786 7.786 7.872 -0.086 18297 4366 1 9 . 1 1 88 88 THR N N 433 119.651 119.651 119.708 -0.057 18297 4367 1 9 . 1 1 88 88 THR HA H 433 4.440 4.440 4.784 -0.344 18297 4368 1 9 . 1 1 88 88 THR C C 433 173.939 173.939 174.302 -0.363 18297 4369 1 9 . 1 1 88 88 THR CA C 433 63.792 63.792 61.994 1.798 18297 4370 1 9 . 1 1 88 88 THR CB C 433 70.357 70.357 69.126 1.230 18297 4371 1 9 . 1 1 88 88 THR H H 433 8.460 8.460 8.357 0.103 18297 4372 1 9 . 1 1 89 89 VAL N N 434 128.068 128.068 122.836 5.232 18297 4373 1 9 . 1 1 89 89 VAL HA H 434 4.153 4.153 4.539 -0.386 18297 4374 1 9 . 1 1 89 89 VAL C C 434 174.083 174.083 173.900 0.183 18297 4375 1 9 . 1 1 89 89 VAL CA C 434 61.827 61.827 59.800 2.027 18297 4376 1 9 . 1 1 89 89 VAL CB C 434 33.937 33.937 34.060 -0.124 18297 4377 1 9 . 1 1 89 89 VAL H H 434 9.275 9.275 8.381 0.894 18297 4378 1 9 . 1 1 90 90 LEU N N 435 125.755 125.755 124.225 1.530 18297 4379 1 9 . 1 1 90 90 LEU HA H 435 5.304 5.304 5.289 0.015 18297 4380 1 9 . 1 1 90 90 LEU C C 435 176.455 176.455 176.425 0.030 18297 4381 1 9 . 1 1 90 90 LEU CA C 435 53.396 53.396 53.160 0.236 18297 4382 1 9 . 1 1 90 90 LEU CB C 435 44.023 44.023 42.604 1.419 18297 4383 1 9 . 1 1 90 90 LEU H H 435 8.169 8.169 8.609 -0.440 18297 4384 1 9 . 1 1 91 91 PHE N N 436 120.743 120.743 123.117 -2.374 18297 4385 1 9 . 1 1 91 91 PHE HA H 436 5.314 5.314 5.480 -0.166 18297 4386 1 9 . 1 1 91 91 PHE C C 436 174.788 174.788 175.150 -0.362 18297 4387 1 9 . 1 1 91 91 PHE CA C 436 56.327 56.327 54.149 2.178 18297 4388 1 9 . 1 1 91 91 PHE CB C 436 43.330 43.330 42.068 1.262 18297 4389 1 9 . 1 1 91 91 PHE H H 436 9.222 9.222 9.234 -0.012 18297 4390 1 9 . 1 1 92 92 LYS N N 437 123.120 123.120 122.451 0.669 18297 4391 1 9 . 1 1 92 92 LYS HA H 437 4.708 4.708 5.364 -0.656 18297 4392 1 9 . 1 1 92 92 LYS C C 437 174.606 174.606 174.874 -0.268 18297 4393 1 9 . 1 1 92 92 LYS CA C 437 55.139 55.139 54.929 0.210 18297 4394 1 9 . 1 1 92 92 LYS CB C 437 34.269 34.269 35.484 -1.215 18297 4395 1 9 . 1 1 92 92 LYS H H 437 8.908 8.908 9.364 -0.456 18297 4396 1 9 . 1 1 93 93 LEU N N 438 128.422 128.422 126.355 2.067 18297 4397 1 9 . 1 1 93 93 LEU HA H 438 4.480 4.480 4.948 -0.468 18297 4398 1 9 . 1 1 93 93 LEU C C 438 175.327 175.327 174.732 0.595 18297 4399 1 9 . 1 1 93 93 LEU CA C 438 55.139 55.139 53.392 1.747 18297 4400 1 9 . 1 1 93 93 LEU CB C 438 43.976 43.976 43.319 0.657 18297 4401 1 9 . 1 1 93 93 LEU H H 438 8.755 8.755 8.165 0.590 18297 4402 1 9 . 1 1 94 94 HIS N N 439 123.859 123.859 126.707 -2.848 18297 4403 1 9 . 1 1 94 94 HIS HA H 439 5.180 5.180 4.817 0.362 18297 4404 1 9 . 1 1 94 94 HIS C C 439 174.297 174.297 173.583 0.714 18297 4405 1 9 . 1 1 94 94 HIS CA C 439 53.396 53.396 54.221 -0.825 18297 4406 1 9 . 1 1 94 94 HIS CB C 439 30.786 30.786 33.007 -2.221 18297 4407 1 9 . 1 1 94 94 HIS H H 439 8.891 8.891 9.309 -0.418 18297 4408 1 9 . 1 1 95 95 PHE N N 440 123.544 123.544 124.175 -0.631 18297 4409 1 9 . 1 1 95 95 PHE HA H 440 6.231 6.231 5.782 0.449 18297 4410 1 9 . 1 1 95 95 PHE C C 440 178.229 178.229 176.546 1.683 18297 4411 1 9 . 1 1 95 95 PHE CA C 440 53.690 53.690 57.483 -3.793 18297 4412 1 9 . 1 1 95 95 PHE CB C 440 39.477 39.477 39.960 -0.483 18297 4413 1 9 . 1 1 95 95 PHE H H 440 8.896 8.896 8.840 0.056 18297 4414 1 9 . 1 1 96 96 THR N N 441 114.382 114.382 120.015 -5.633 18297 4415 1 9 . 1 1 96 96 THR HA H 441 4.617 4.617 4.655 -0.038 18297 4416 1 9 . 1 1 96 96 THR C C 441 173.867 173.867 173.477 0.390 18297 4417 1 9 . 1 1 96 96 THR CA C 441 61.327 61.327 60.691 0.635 18297 4418 1 9 . 1 1 96 96 THR CB C 441 69.561 69.561 69.990 -0.429 18297 4419 1 9 . 1 1 96 96 THR H H 441 7.973 7.973 8.961 -0.988 18297 4420 1 10 . 1 1 2 2 SER HA H 347 4.570 4.570 4.625 -0.055 18297 4421 1 10 . 1 1 2 2 SER C C 347 174.335 174.335 174.977 -0.642 18297 4422 1 10 . 1 1 2 2 SER CA C 347 58.350 58.350 57.717 0.633 18297 4423 1 10 . 1 1 2 2 SER CB C 347 63.999 63.999 64.662 -0.663 18297 4424 1 10 . 1 1 3 3 GLN N N 348 122.478 122.478 121.043 1.435 18297 4425 1 10 . 1 1 3 3 GLN HA H 348 4.430 4.430 4.424 0.006 18297 4426 1 10 . 1 1 3 3 GLN C C 348 175.651 175.651 176.178 -0.527 18297 4427 1 10 . 1 1 3 3 GLN CA C 348 55.743 55.743 55.716 0.027 18297 4428 1 10 . 1 1 3 3 GLN CB C 348 29.750 29.750 28.980 0.770 18297 4429 1 10 . 1 1 3 3 GLN H H 348 8.532 8.532 8.549 -0.017 18297 4430 1 10 . 1 1 4 4 LEU N N 349 125.369 125.369 121.533 3.836 18297 4431 1 10 . 1 1 4 4 LEU HA H 349 4.634 4.634 4.575 0.059 18297 4432 1 10 . 1 1 4 4 LEU C C 349 175.324 175.324 175.315 0.009 18297 4433 1 10 . 1 1 4 4 LEU CA C 349 53.197 53.197 52.565 0.632 18297 4434 1 10 . 1 1 4 4 LEU CB C 349 41.867 41.867 41.590 0.277 18297 4435 1 10 . 1 1 4 4 LEU H H 349 8.403 8.403 7.493 0.910 18297 4436 1 10 . 1 1 5 5 PRO HA H 350 4.360 4.360 4.392 -0.032 18297 4437 1 10 . 1 1 5 5 PRO C C 350 176.639 176.639 175.759 0.880 18297 4438 1 10 . 1 1 5 5 PRO CA C 350 62.748 62.748 62.605 0.144 18297 4439 1 10 . 1 1 5 5 PRO CB C 350 32.319 32.319 31.924 0.395 18297 4440 1 10 . 1 1 6 6 GLN N N 351 121.707 121.707 121.664 0.043 18297 4441 1 10 . 1 1 6 6 GLN HA H 351 4.428 4.428 4.378 0.050 18297 4442 1 10 . 1 1 6 6 GLN C C 351 175.898 175.898 175.497 0.401 18297 4443 1 10 . 1 1 6 6 GLN CA C 351 55.678 55.678 53.544 2.134 18297 4444 1 10 . 1 1 6 6 GLN CB C 351 30.054 30.054 30.111 -0.057 18297 4445 1 10 . 1 1 6 6 GLN H H 351 8.255 8.255 8.630 -0.375 18297 4446 1 10 . 1 1 7 7 ASN N N 352 123.275 123.275 119.743 3.532 18297 4447 1 10 . 1 1 7 7 ASN HA H 352 5.470 5.470 5.067 0.403 18297 4448 1 10 . 1 1 7 7 ASN C C 352 175.324 175.324 174.872 0.452 18297 4449 1 10 . 1 1 7 7 ASN CA C 352 54.009 54.009 52.455 1.554 18297 4450 1 10 . 1 1 7 7 ASN CB C 352 40.414 40.414 40.401 0.013 18297 4451 1 10 . 1 1 7 7 ASN H H 352 8.860 8.860 8.540 0.320 18297 4452 1 10 . 1 1 8 8 ILE N N 353 119.104 119.104 115.087 4.017 18297 4453 1 10 . 1 1 8 8 ILE HA H 353 4.625 4.625 4.719 -0.094 18297 4454 1 10 . 1 1 8 8 ILE C C 353 173.669 173.669 173.654 0.015 18297 4455 1 10 . 1 1 8 8 ILE CA C 353 60.201 60.201 59.778 0.423 18297 4456 1 10 . 1 1 8 8 ILE CB C 353 41.404 41.404 41.952 -0.548 18297 4457 1 10 . 1 1 8 8 ILE H H 353 8.808 8.808 8.700 0.108 18297 4458 1 10 . 1 1 9 9 GLN N N 354 122.671 122.671 123.880 -1.209 18297 4459 1 10 . 1 1 9 9 GLN HA H 354 5.586 5.586 5.207 0.379 18297 4460 1 10 . 1 1 9 9 GLN C C 354 174.274 174.274 174.916 -0.642 18297 4461 1 10 . 1 1 9 9 GLN CA C 354 54.491 54.491 54.966 -0.475 18297 4462 1 10 . 1 1 9 9 GLN CB C 354 31.120 31.120 30.668 0.452 18297 4463 1 10 . 1 1 9 9 GLN H H 354 8.021 8.021 8.200 -0.179 18297 4464 1 10 . 1 1 10 10 PHE N N 355 120.679 120.679 123.362 -2.683 18297 4465 1 10 . 1 1 10 10 PHE HA H 355 4.635 4.635 4.649 -0.014 18297 4466 1 10 . 1 1 10 10 PHE C C 355 174.715 174.715 174.384 0.331 18297 4467 1 10 . 1 1 10 10 PHE CA C 355 57.226 57.226 56.881 0.345 18297 4468 1 10 . 1 1 10 10 PHE CB C 355 45.969 45.969 43.474 2.495 18297 4469 1 10 . 1 1 10 10 PHE H H 355 8.403 8.403 9.130 -0.727 18297 4470 1 10 . 1 1 11 11 SER N N 356 116.116 116.116 118.117 -2.001 18297 4471 1 10 . 1 1 11 11 SER HA H 356 5.020 5.020 5.161 -0.141 18297 4472 1 10 . 1 1 11 11 SER C C 356 174.917 174.917 174.155 0.762 18297 4473 1 10 . 1 1 11 11 SER CA C 356 56.110 56.110 55.441 0.669 18297 4474 1 10 . 1 1 11 11 SER CB C 356 63.879 63.879 62.949 0.930 18297 4475 1 10 . 1 1 11 11 SER H H 356 8.757 8.757 8.781 -0.024 18297 4476 1 10 . 1 1 12 12 PRO HA H 357 3.776 3.776 4.348 -0.572 18297 4477 1 10 . 1 1 12 12 PRO C C 357 176.155 176.155 177.713 -1.558 18297 4478 1 10 . 1 1 12 12 PRO CA C 357 64.886 64.886 65.833 -0.947 18297 4479 1 10 . 1 1 12 12 PRO CB C 357 31.222 31.222 31.729 -0.507 18297 4480 1 10 . 1 1 13 13 SER N N 358 107.859 107.859 111.901 -4.042 18297 4481 1 10 . 1 1 13 13 SER HA H 358 4.388 4.388 4.476 -0.088 18297 4482 1 10 . 1 1 13 13 SER C C 358 173.972 173.972 173.762 0.210 18297 4483 1 10 . 1 1 13 13 SER CA C 358 57.728 57.728 57.246 0.482 18297 4484 1 10 . 1 1 13 13 SER CB C 358 63.879 63.879 62.539 1.340 18297 4485 1 10 . 1 1 13 13 SER H H 358 7.636 7.636 8.259 -0.623 18297 4486 1 10 . 1 1 14 14 ALA N N 359 126.012 126.012 124.057 1.955 18297 4487 1 10 . 1 1 14 14 ALA HA H 359 4.320 4.320 4.440 -0.120 18297 4488 1 10 . 1 1 14 14 ALA C C 359 177.288 177.288 176.082 1.206 18297 4489 1 10 . 1 1 14 14 ALA CA C 359 52.849 52.849 52.109 0.740 18297 4490 1 10 . 1 1 14 14 ALA CB C 359 19.372 19.372 20.034 -0.662 18297 4491 1 10 . 1 1 14 14 ALA H H 359 7.937 7.937 8.081 -0.144 18297 4492 1 10 . 1 1 15 15 LYS N N 360 119.699 119.699 121.473 -1.774 18297 4493 1 10 . 1 1 15 15 LYS HA H 360 4.751 4.751 4.830 -0.079 18297 4494 1 10 . 1 1 15 15 LYS C C 360 179.638 179.638 177.606 2.032 18297 4495 1 10 . 1 1 15 15 LYS CA C 360 54.815 54.815 55.078 -0.263 18297 4496 1 10 . 1 1 15 15 LYS CB C 360 33.127 33.127 33.758 -0.631 18297 4497 1 10 . 1 1 15 15 LYS H H 360 8.523 8.523 8.283 0.240 18297 4498 1 10 . 1 1 16 16 LEU N N 361 123.297 123.297 123.040 0.257 18297 4499 1 10 . 1 1 16 16 LEU HA H 361 3.828 3.828 3.953 -0.125 18297 4500 1 10 . 1 1 16 16 LEU C C 361 178.714 178.714 178.314 0.400 18297 4501 1 10 . 1 1 16 16 LEU CA C 361 58.321 58.321 58.070 0.251 18297 4502 1 10 . 1 1 16 16 LEU CB C 361 40.240 40.240 41.459 -1.219 18297 4503 1 10 . 1 1 16 16 LEU H H 361 8.383 8.383 8.307 0.076 18297 4504 1 10 . 1 1 17 17 GLN N N 362 117.900 117.900 119.082 -1.182 18297 4505 1 10 . 1 1 17 17 GLN HA H 362 3.621 3.621 3.866 -0.245 18297 4506 1 10 . 1 1 17 17 GLN C C 362 176.370 176.370 178.207 -1.837 18297 4507 1 10 . 1 1 17 17 GLN CA C 362 58.547 58.547 59.358 -0.811 18297 4508 1 10 . 1 1 17 17 GLN CB C 362 29.442 29.442 28.169 1.273 18297 4509 1 10 . 1 1 17 17 GLN H H 362 8.766 8.766 7.593 1.173 18297 4510 1 10 . 1 1 18 18 GLU N N 363 116.341 116.341 118.965 -2.624 18297 4511 1 10 . 1 1 18 18 GLU HA H 363 4.201 4.201 4.133 0.068 18297 4512 1 10 . 1 1 18 18 GLU C C 363 180.135 180.135 179.474 0.661 18297 4513 1 10 . 1 1 18 18 GLU CA C 363 59.669 59.669 59.349 0.320 18297 4514 1 10 . 1 1 18 18 GLU CB C 363 29.870 29.870 28.991 0.880 18297 4515 1 10 . 1 1 18 18 GLU H H 363 7.783 7.783 8.410 -0.627 18297 4516 1 10 . 1 1 19 19 VAL N N 364 120.647 120.647 120.142 0.505 18297 4517 1 10 . 1 1 19 19 VAL HA H 364 3.421 3.421 3.580 -0.159 18297 4518 1 10 . 1 1 19 19 VAL C C 364 177.380 177.380 178.265 -0.885 18297 4519 1 10 . 1 1 19 19 VAL CA C 364 65.433 65.433 66.110 -0.677 18297 4520 1 10 . 1 1 19 19 VAL CB C 364 30.964 30.964 31.303 -0.339 18297 4521 1 10 . 1 1 19 19 VAL H H 364 7.224 7.224 7.455 -0.231 18297 4522 1 10 . 1 1 20 20 LEU N N 365 120.743 120.743 119.551 1.192 18297 4523 1 10 . 1 1 20 20 LEU HA H 365 3.916 3.916 3.857 0.059 18297 4524 1 10 . 1 1 20 20 LEU C C 365 178.974 178.974 178.740 0.234 18297 4525 1 10 . 1 1 20 20 LEU CA C 365 58.612 58.612 58.015 0.597 18297 4526 1 10 . 1 1 20 20 LEU CB C 365 41.425 41.425 41.341 0.084 18297 4527 1 10 . 1 1 20 20 LEU H H 365 7.517 7.517 8.016 -0.499 18297 4528 1 10 . 1 1 21 21 ASP N N 366 119.329 119.329 119.367 -0.038 18297 4529 1 10 . 1 1 21 21 ASP HA H 366 4.306 4.306 4.336 -0.030 18297 4530 1 10 . 1 1 21 21 ASP C C 366 177.992 177.992 178.848 -0.856 18297 4531 1 10 . 1 1 21 21 ASP CA C 366 57.405 57.405 57.612 -0.207 18297 4532 1 10 . 1 1 21 21 ASP CB C 366 40.265 40.265 41.325 -1.060 18297 4533 1 10 . 1 1 21 21 ASP H H 366 8.805 8.805 8.166 0.639 18297 4534 1 10 . 1 1 22 22 TYR N N 367 121.643 121.643 120.679 0.964 18297 4535 1 10 . 1 1 22 22 TYR HA H 367 4.305 4.305 4.362 -0.057 18297 4536 1 10 . 1 1 22 22 TYR C C 367 177.701 177.701 177.187 0.514 18297 4537 1 10 . 1 1 22 22 TYR CA C 367 61.777 61.777 60.660 1.117 18297 4538 1 10 . 1 1 22 22 TYR CB C 367 38.801 38.801 38.724 0.077 18297 4539 1 10 . 1 1 22 22 TYR H H 367 7.718 7.718 8.145 -0.427 18297 4540 1 10 . 1 1 23 23 LEU N N 368 118.414 118.414 119.144 -0.730 18297 4541 1 10 . 1 1 23 23 LEU HA H 368 3.910 3.910 3.956 -0.046 18297 4542 1 10 . 1 1 23 23 LEU C C 368 178.019 178.019 177.843 0.176 18297 4543 1 10 . 1 1 23 23 LEU CA C 368 57.773 57.773 57.493 0.280 18297 4544 1 10 . 1 1 23 23 LEU CB C 368 42.032 42.032 42.279 -0.247 18297 4545 1 10 . 1 1 23 23 LEU H H 368 8.060 8.060 7.789 0.271 18297 4546 1 10 . 1 1 24 24 THR N N 369 106.606 106.606 109.174 -2.568 18297 4547 1 10 . 1 1 24 24 THR HA H 369 4.507 4.507 4.373 0.134 18297 4548 1 10 . 1 1 24 24 THR C C 369 176.576 176.576 174.169 2.407 18297 4549 1 10 . 1 1 24 24 THR CA C 369 63.245 63.245 63.029 0.216 18297 4550 1 10 . 1 1 24 24 THR CB C 369 70.517 70.517 70.428 0.089 18297 4551 1 10 . 1 1 24 24 THR H H 369 8.017 8.017 7.868 0.149 18297 4552 1 10 . 1 1 25 25 ASN N N 370 118.847 118.847 119.688 -0.841 18297 4553 1 10 . 1 1 25 25 ASN HA H 370 4.846 4.846 4.969 -0.123 18297 4554 1 10 . 1 1 25 25 ASN C C 370 176.455 176.455 174.207 2.248 18297 4555 1 10 . 1 1 25 25 ASN CA C 370 53.944 53.944 52.614 1.331 18297 4556 1 10 . 1 1 25 25 ASN CB C 370 39.718 39.718 41.470 -1.752 18297 4557 1 10 . 1 1 25 25 ASN H H 370 8.149 8.149 8.131 0.018 18297 4558 1 10 . 1 1 26 26 SER N N 371 116.888 116.888 117.597 -0.709 18297 4559 1 10 . 1 1 26 26 SER HA H 371 4.375 4.375 4.532 -0.157 18297 4560 1 10 . 1 1 26 26 SER C C 371 176.257 176.257 176.072 0.185 18297 4561 1 10 . 1 1 26 26 SER CA C 371 59.603 59.603 61.008 -1.405 18297 4562 1 10 . 1 1 26 26 SER CB C 371 63.792 63.792 63.583 0.209 18297 4563 1 10 . 1 1 26 26 SER H H 371 7.889 7.889 8.645 -0.756 18297 4564 1 10 . 1 1 27 27 ALA N N 372 128.743 128.743 122.535 6.208 18297 4565 1 10 . 1 1 27 27 ALA HA H 372 4.228 4.228 4.479 -0.251 18297 4566 1 10 . 1 1 27 27 ALA C C 372 178.538 178.538 179.272 -0.734 18297 4567 1 10 . 1 1 27 27 ALA CA C 372 54.491 54.491 54.153 0.338 18297 4568 1 10 . 1 1 27 27 ALA CB C 372 18.772 18.772 18.670 0.102 18297 4569 1 10 . 1 1 27 27 ALA H H 372 8.836 8.836 8.129 0.707 18297 4570 1 10 . 1 1 28 28 SER N N 373 110.751 110.751 114.320 -3.569 18297 4571 1 10 . 1 1 28 28 SER HA H 373 4.426 4.426 4.494 -0.068 18297 4572 1 10 . 1 1 28 28 SER C C 373 174.548 174.548 175.521 -0.973 18297 4573 1 10 . 1 1 28 28 SER CA C 373 59.415 59.415 60.129 -0.714 18297 4574 1 10 . 1 1 28 28 SER CB C 373 63.394 63.394 63.324 0.070 18297 4575 1 10 . 1 1 28 28 SER H H 373 8.069 8.069 8.209 -0.140 18297 4576 1 10 . 1 1 29 29 LEU N N 374 122.012 122.012 121.833 0.179 18297 4577 1 10 . 1 1 29 29 LEU HA H 374 4.465 4.465 4.663 -0.198 18297 4578 1 10 . 1 1 29 29 LEU C C 374 175.716 175.716 176.928 -1.212 18297 4579 1 10 . 1 1 29 29 LEU CA C 374 56.132 56.132 54.596 1.536 18297 4580 1 10 . 1 1 29 29 LEU CB C 374 44.295 44.295 41.024 3.271 18297 4581 1 10 . 1 1 29 29 LEU H H 374 7.547 7.547 8.054 -0.507 18297 4582 1 10 . 1 1 30 30 GLN N N 375 116.052 116.052 116.507 -0.455 18297 4583 1 10 . 1 1 30 30 GLN HA H 375 4.003 4.003 4.137 -0.134 18297 4584 1 10 . 1 1 30 30 GLN C C 375 175.498 175.498 176.240 -0.742 18297 4585 1 10 . 1 1 30 30 GLN CA C 375 56.434 56.434 57.818 -1.384 18297 4586 1 10 . 1 1 30 30 GLN CB C 375 27.948 27.948 27.752 0.197 18297 4587 1 10 . 1 1 30 30 GLN H H 375 8.060 8.060 7.999 0.061 18297 4588 1 10 . 1 1 31 31 MET N N 376 117.691 117.691 117.268 0.423 18297 4589 1 10 . 1 1 31 31 MET HA H 376 4.283 4.283 4.724 -0.441 18297 4590 1 10 . 1 1 31 31 MET C C 376 175.843 175.843 176.295 -0.452 18297 4591 1 10 . 1 1 31 31 MET CA C 376 57.728 57.728 56.684 1.044 18297 4592 1 10 . 1 1 31 31 MET CB C 376 33.451 33.451 33.632 -0.181 18297 4593 1 10 . 1 1 31 31 MET H H 376 8.211 8.211 8.070 0.141 18297 4594 1 10 . 1 1 32 32 LYS N N 377 122.028 122.028 119.352 2.676 18297 4595 1 10 . 1 1 32 32 LYS HA H 377 4.414 4.414 4.278 0.136 18297 4596 1 10 . 1 1 32 32 LYS C C 377 177.837 177.837 176.727 1.110 18297 4597 1 10 . 1 1 32 32 LYS CA C 377 58.052 58.052 56.897 1.155 18297 4598 1 10 . 1 1 32 32 LYS CB C 377 34.994 34.994 32.211 2.783 18297 4599 1 10 . 1 1 32 32 LYS H H 377 9.461 9.461 7.660 1.801 18297 4600 1 10 . 1 1 33 33 SER N N 378 115.056 115.056 117.088 -2.032 18297 4601 1 10 . 1 1 33 33 SER HA H 378 4.650 4.650 4.531 0.119 18297 4602 1 10 . 1 1 33 33 SER C C 378 172.026 172.026 172.609 -0.583 18297 4603 1 10 . 1 1 33 33 SER CA C 378 55.038 55.038 57.893 -2.855 18297 4604 1 10 . 1 1 33 33 SER CB C 378 62.908 62.908 62.904 0.004 18297 4605 1 10 . 1 1 33 33 SER H H 378 10.101 10.101 7.474 2.627 18297 4606 1 10 . 1 1 34 34 PRO HA H 379 5.043 5.043 4.284 0.759 18297 4607 1 10 . 1 1 34 34 PRO C C 379 175.422 175.422 175.628 -0.206 18297 4608 1 10 . 1 1 34 34 PRO CA C 379 63.792 63.792 63.569 0.223 18297 4609 1 10 . 1 1 34 34 PRO CB C 379 33.703 33.703 32.249 1.454 18297 4610 1 10 . 1 1 35 35 ALA N N 380 121.498 121.498 123.855 -2.357 18297 4611 1 10 . 1 1 35 35 ALA HA H 380 5.137 5.137 4.455 0.682 18297 4612 1 10 . 1 1 35 35 ALA C C 380 177.313 177.313 175.744 1.569 18297 4613 1 10 . 1 1 35 35 ALA CA C 380 50.661 50.661 50.311 0.350 18297 4614 1 10 . 1 1 35 35 ALA CB C 380 22.118 22.118 21.679 0.439 18297 4615 1 10 . 1 1 35 35 ALA H H 380 8.894 8.894 8.809 0.085 18297 4616 1 10 . 1 1 36 36 ILE N N 381 120.470 120.470 124.351 -3.881 18297 4617 1 10 . 1 1 36 36 ILE HA H 381 4.967 4.967 4.563 0.404 18297 4618 1 10 . 1 1 36 36 ILE C C 381 175.314 175.314 175.375 -0.061 18297 4619 1 10 . 1 1 36 36 ILE CA C 381 61.056 61.056 60.421 0.635 18297 4620 1 10 . 1 1 36 36 ILE CB C 381 41.364 41.364 39.236 2.128 18297 4621 1 10 . 1 1 36 36 ILE H H 381 9.038 9.038 8.713 0.325 18297 4622 1 10 . 1 1 37 37 THR N N 382 123.297 123.297 123.441 -0.144 18297 4623 1 10 . 1 1 37 37 THR HA H 382 5.252 5.252 5.069 0.183 18297 4624 1 10 . 1 1 37 37 THR C C 382 172.289 172.289 172.601 -0.312 18297 4625 1 10 . 1 1 37 37 THR CA C 382 60.977 60.977 60.736 0.241 18297 4626 1 10 . 1 1 37 37 THR CB C 382 71.919 71.919 71.628 0.291 18297 4627 1 10 . 1 1 37 37 THR H H 382 9.363 9.363 9.038 0.325 18297 4628 1 10 . 1 1 38 38 ALA N N 383 123.340 123.340 125.764 -2.424 18297 4629 1 10 . 1 1 38 38 ALA HA H 383 4.935 4.935 5.042 -0.107 18297 4630 1 10 . 1 1 38 38 ALA C C 383 175.743 175.743 175.812 -0.069 18297 4631 1 10 . 1 1 38 38 ALA CA C 383 51.147 51.147 50.449 0.698 18297 4632 1 10 . 1 1 38 38 ALA CB C 383 22.758 22.758 22.514 0.244 18297 4633 1 10 . 1 1 38 38 ALA H H 383 8.896 8.896 9.008 -0.112 18297 4634 1 10 . 1 1 39 39 THR N N 384 118.815 118.815 115.083 3.732 18297 4635 1 10 . 1 1 39 39 THR HA H 384 4.892 4.892 4.805 0.087 18297 4636 1 10 . 1 1 39 39 THR C C 384 174.098 174.098 173.831 0.267 18297 4637 1 10 . 1 1 39 39 THR CA C 384 62.310 62.310 61.048 1.262 18297 4638 1 10 . 1 1 39 39 THR CB C 384 69.263 69.263 69.577 -0.314 18297 4639 1 10 . 1 1 39 39 THR H H 384 8.968 8.968 8.457 0.511 18297 4640 1 10 . 1 1 40 40 LEU N N 385 128.711 128.711 127.994 0.717 18297 4641 1 10 . 1 1 40 40 LEU HA H 385 4.791 4.791 4.632 0.159 18297 4642 1 10 . 1 1 40 40 LEU C C 385 176.479 176.479 175.903 0.576 18297 4643 1 10 . 1 1 40 40 LEU CA C 385 53.944 53.944 54.693 -0.749 18297 4644 1 10 . 1 1 40 40 LEU CB C 385 44.966 44.966 44.051 0.915 18297 4645 1 10 . 1 1 40 40 LEU H H 385 8.667 8.667 9.074 -0.407 18297 4646 1 10 . 1 1 41 41 GLU N N 386 124.470 124.470 126.693 -2.223 18297 4647 1 10 . 1 1 41 41 GLU HA H 386 3.936 3.936 3.977 -0.041 18297 4648 1 10 . 1 1 41 41 GLU C C 386 176.878 176.878 176.510 0.368 18297 4649 1 10 . 1 1 41 41 GLU CA C 386 57.226 57.226 56.900 0.326 18297 4650 1 10 . 1 1 41 41 GLU CB C 386 27.735 27.735 27.694 0.041 18297 4651 1 10 . 1 1 41 41 GLU H H 386 9.547 9.547 9.388 0.159 18297 4652 1 10 . 1 1 42 42 GLY N N 387 104.068 104.068 103.784 0.284 18297 4653 1 10 . 1 1 42 42 GLY C C 387 173.993 173.993 174.000 -0.007 18297 4654 1 10 . 1 1 42 42 GLY CA C 387 45.596 45.596 45.215 0.381 18297 4655 1 10 . 1 1 42 42 GLY H H 387 8.578 8.578 8.180 0.398 18297 4656 1 10 . 1 1 43 43 LYS N N 388 120.422 120.422 121.180 -0.758 18297 4657 1 10 . 1 1 43 43 LYS HA H 388 4.701 4.701 4.642 0.059 18297 4658 1 10 . 1 1 43 43 LYS C C 388 175.054 175.054 174.837 0.217 18297 4659 1 10 . 1 1 43 43 LYS CA C 388 54.491 54.491 54.083 0.408 18297 4660 1 10 . 1 1 43 43 LYS CB C 388 34.968 34.968 34.979 -0.011 18297 4661 1 10 . 1 1 43 43 LYS H H 388 7.826 7.826 7.819 0.007 18297 4662 1 10 . 1 1 44 44 ASN N N 389 122.606 122.606 122.435 0.171 18297 4663 1 10 . 1 1 44 44 ASN HA H 389 4.895 4.895 5.212 -0.317 18297 4664 1 10 . 1 1 44 44 ASN C C 389 174.905 174.905 174.845 0.060 18297 4665 1 10 . 1 1 44 44 ASN CA C 389 53.944 53.944 53.003 0.941 18297 4666 1 10 . 1 1 44 44 ASN CB C 389 39.229 39.229 39.507 -0.278 18297 4667 1 10 . 1 1 44 44 ASN H H 389 8.827 8.827 8.520 0.307 18297 4668 1 10 . 1 1 45 45 ARG N N 390 125.867 125.867 124.546 1.321 18297 4669 1 10 . 1 1 45 45 ARG HA H 390 4.756 4.756 4.652 0.104 18297 4670 1 10 . 1 1 45 45 ARG C C 390 175.224 175.224 175.074 0.150 18297 4671 1 10 . 1 1 45 45 ARG CA C 390 54.491 54.491 54.705 -0.214 18297 4672 1 10 . 1 1 45 45 ARG CB C 390 32.973 32.973 32.507 0.466 18297 4673 1 10 . 1 1 45 45 ARG H H 390 9.220 9.220 9.112 0.108 18297 4674 1 10 . 1 1 46 46 THR N N 391 122.574 122.574 123.134 -0.560 18297 4675 1 10 . 1 1 46 46 THR HA H 391 4.289 4.289 4.348 -0.059 18297 4676 1 10 . 1 1 46 46 THR C C 391 174.010 174.010 174.354 -0.344 18297 4677 1 10 . 1 1 46 46 THR CA C 391 63.509 63.509 63.373 0.136 18297 4678 1 10 . 1 1 46 46 THR CB C 391 68.716 68.716 69.273 -0.557 18297 4679 1 10 . 1 1 46 46 THR H H 391 8.940 8.940 8.903 0.037 18297 4680 1 10 . 1 1 47 47 LEU N N 392 128.647 128.647 126.578 2.069 18297 4681 1 10 . 1 1 47 47 LEU HA H 392 4.339 4.339 4.402 -0.063 18297 4682 1 10 . 1 1 47 47 LEU C C 392 176.670 176.670 177.022 -0.352 18297 4683 1 10 . 1 1 47 47 LEU CA C 392 56.132 56.132 55.031 1.101 18297 4684 1 10 . 1 1 47 47 LEU CB C 392 42.678 42.678 42.782 -0.104 18297 4685 1 10 . 1 1 47 47 LEU H H 392 9.096 9.096 8.438 0.658 18297 4686 1 10 . 1 1 48 48 TYR N N 393 113.514 113.514 122.002 -8.488 18297 4687 1 10 . 1 1 48 48 TYR HA H 393 4.618 4.618 4.201 0.417 18297 4688 1 10 . 1 1 48 48 TYR C C 393 173.455 173.455 175.836 -2.381 18297 4689 1 10 . 1 1 48 48 TYR CA C 393 59.415 59.415 59.948 -0.533 18297 4690 1 10 . 1 1 48 48 TYR CB C 393 41.384 41.384 37.654 3.730 18297 4691 1 10 . 1 1 48 48 TYR H H 393 7.562 7.562 8.037 -0.475 18297 4692 1 10 . 1 1 57 57 GLU N N 402 128.181 128.181 118.037 10.144 18297 4693 1 10 . 1 1 57 57 GLU H H 402 8.645 8.645 7.654 0.991 18297 4694 1 10 . 1 1 58 58 ARG N N 403 117.080 117.080 118.340 -1.260 18297 4695 1 10 . 1 1 58 58 ARG HA H 403 4.302 4.302 4.103 0.199 18297 4696 1 10 . 1 1 58 58 ARG CA C 403 58.321 58.321 56.956 1.365 18297 4697 1 10 . 1 1 58 58 ARG CB C 403 31.165 31.165 28.656 2.509 18297 4698 1 10 . 1 1 58 58 ARG H H 403 8.278 8.278 8.167 0.111 18297 4699 1 10 . 1 1 59 59 THR N N 404 108.390 108.390 110.103 -1.713 18297 4700 1 10 . 1 1 59 59 THR HA H 404 4.932 4.932 4.170 0.762 18297 4701 1 10 . 1 1 59 59 THR H H 404 8.301 8.301 8.377 -0.076 18297 4702 1 10 . 1 1 60 60 ARG N N 405 126.639 126.639 120.417 6.222 18297 4703 1 10 . 1 1 60 60 ARG H H 405 8.549 8.549 8.030 0.519 18297 4704 1 10 . 1 1 61 61 PRO HA H 406 4.431 4.431 4.203 0.228 18297 4705 1 10 . 1 1 61 61 PRO C C 406 178.434 178.434 178.065 0.369 18297 4706 1 10 . 1 1 61 61 PRO CA C 406 65.980 65.980 65.535 0.445 18297 4707 1 10 . 1 1 61 61 PRO CB C 406 31.348 31.348 31.871 -0.523 18297 4708 1 10 . 1 1 62 62 ASN N N 407 114.574 114.574 116.965 -2.391 18297 4709 1 10 . 1 1 62 62 ASN HA H 407 4.390 4.390 4.456 -0.066 18297 4710 1 10 . 1 1 62 62 ASN C C 407 177.863 177.863 177.215 0.648 18297 4711 1 10 . 1 1 62 62 ASN CA C 407 55.308 55.308 56.048 -0.740 18297 4712 1 10 . 1 1 62 62 ASN CB C 407 37.530 37.530 38.324 -0.794 18297 4713 1 10 . 1 1 62 62 ASN H H 407 8.481 8.481 7.769 0.712 18297 4714 1 10 . 1 1 63 63 LEU N N 408 115.667 115.667 118.570 -2.903 18297 4715 1 10 . 1 1 63 63 LEU HA H 408 3.861 3.861 4.099 -0.238 18297 4716 1 10 . 1 1 63 63 LEU C C 408 177.708 177.708 179.253 -1.545 18297 4717 1 10 . 1 1 63 63 LEU CA C 408 57.667 57.667 57.233 0.434 18297 4718 1 10 . 1 1 63 63 LEU CB C 408 41.706 41.706 41.734 -0.028 18297 4719 1 10 . 1 1 63 63 LEU H H 408 8.022 8.022 7.377 0.645 18297 4720 1 10 . 1 1 64 64 SER N N 409 109.209 109.209 113.899 -4.690 18297 4721 1 10 . 1 1 64 64 SER HA H 409 4.588 4.588 4.340 0.248 18297 4722 1 10 . 1 1 64 64 SER C C 409 173.870 173.870 174.896 -1.026 18297 4723 1 10 . 1 1 64 64 SER CA C 409 58.321 58.321 60.035 -1.714 18297 4724 1 10 . 1 1 64 64 SER CB C 409 63.855 63.855 63.452 0.403 18297 4725 1 10 . 1 1 64 64 SER H H 409 7.232 7.232 7.633 -0.401 18297 4726 1 10 . 1 1 65 65 LYS N N 410 122.735 122.735 121.424 1.311 18297 4727 1 10 . 1 1 65 65 LYS HA H 410 4.609 4.609 4.437 0.172 18297 4728 1 10 . 1 1 65 65 LYS C C 410 175.946 175.946 175.660 0.286 18297 4729 1 10 . 1 1 65 65 LYS CA C 410 55.463 55.463 55.222 0.241 18297 4730 1 10 . 1 1 65 65 LYS CB C 410 34.422 34.422 33.224 1.198 18297 4731 1 10 . 1 1 65 65 LYS H H 410 7.543 7.543 7.564 -0.021 18297 4732 1 10 . 1 1 66 66 THR N N 411 110.944 110.944 110.473 0.471 18297 4733 1 10 . 1 1 66 66 THR HA H 411 5.003 5.003 4.833 0.170 18297 4734 1 10 . 1 1 66 66 THR C C 411 176.038 176.038 176.522 -0.484 18297 4735 1 10 . 1 1 66 66 THR CA C 411 60.221 60.221 60.369 -0.148 18297 4736 1 10 . 1 1 66 66 THR CB C 411 70.956 70.956 71.085 -0.129 18297 4737 1 10 . 1 1 66 66 THR H H 411 8.980 8.980 7.987 0.993 18297 4738 1 10 . 1 1 67 67 LEU N N 412 118.076 118.076 121.215 -3.139 18297 4739 1 10 . 1 1 67 67 LEU HA H 412 3.961 3.961 3.971 -0.010 18297 4740 1 10 . 1 1 67 67 LEU C C 412 179.227 179.227 178.908 0.319 18297 4741 1 10 . 1 1 67 67 LEU CA C 412 58.321 58.321 58.454 -0.133 18297 4742 1 10 . 1 1 67 67 LEU CB C 412 39.914 39.914 41.537 -1.623 18297 4743 1 10 . 1 1 67 67 LEU H H 412 8.434 8.434 9.184 -0.750 18297 4744 1 10 . 1 1 68 68 LYS N N 413 116.373 116.373 120.153 -3.780 18297 4745 1 10 . 1 1 68 68 LYS HA H 413 4.285 4.285 3.867 0.418 18297 4746 1 10 . 1 1 68 68 LYS C C 413 181.338 181.338 178.805 2.533 18297 4747 1 10 . 1 1 68 68 LYS CA C 413 58.868 58.868 58.927 -0.059 18297 4748 1 10 . 1 1 68 68 LYS CB C 413 32.606 32.606 31.857 0.749 18297 4749 1 10 . 1 1 68 68 LYS H H 413 8.171 8.171 7.758 0.413 18297 4750 1 10 . 1 1 69 69 GLU N N 414 123.731 123.731 118.033 5.698 18297 4751 1 10 . 1 1 69 69 GLU HA H 414 4.072 4.072 4.085 -0.013 18297 4752 1 10 . 1 1 69 69 GLU C C 414 179.202 179.202 179.266 -0.064 18297 4753 1 10 . 1 1 69 69 GLU CA C 414 58.868 58.868 58.582 0.286 18297 4754 1 10 . 1 1 69 69 GLU CB C 414 29.566 29.566 29.489 0.076 18297 4755 1 10 . 1 1 69 69 GLU H H 414 8.326 8.326 7.852 0.474 18297 4756 1 10 . 1 1 70 70 LEU N N 415 119.008 119.008 116.093 2.915 18297 4757 1 10 . 1 1 70 70 LEU HA H 415 4.218 4.218 4.218 0.000 18297 4758 1 10 . 1 1 70 70 LEU C C 415 176.505 176.505 177.188 -0.683 18297 4759 1 10 . 1 1 70 70 LEU CA C 415 55.822 55.822 55.186 0.636 18297 4760 1 10 . 1 1 70 70 LEU CB C 415 43.012 43.012 42.290 0.722 18297 4761 1 10 . 1 1 70 70 LEU H H 415 7.993 7.993 8.002 -0.009 18297 4762 1 10 . 1 1 71 71 GLY N N 416 105.578 105.578 105.906 -0.328 18297 4763 1 10 . 1 1 71 71 GLY C C 416 174.505 174.505 174.764 -0.259 18297 4764 1 10 . 1 1 71 71 GLY CA C 416 45.191 45.191 44.907 0.284 18297 4765 1 10 . 1 1 71 71 GLY H H 416 7.880 7.880 7.458 0.422 18297 4766 1 10 . 1 1 72 72 LEU N N 417 119.201 119.201 121.086 -1.885 18297 4767 1 10 . 1 1 72 72 LEU HA H 417 4.599 4.599 5.196 -0.597 18297 4768 1 10 . 1 1 72 72 LEU C C 417 176.208 176.208 176.346 -0.138 18297 4769 1 10 . 1 1 72 72 LEU CA C 417 54.815 54.815 54.601 0.214 18297 4770 1 10 . 1 1 72 72 LEU CB C 417 41.867 41.867 42.662 -0.795 18297 4771 1 10 . 1 1 72 72 LEU H H 417 7.466 7.466 8.127 -0.661 18297 4772 1 10 . 1 1 73 73 VAL N N 418 112.871 112.871 121.149 -8.278 18297 4773 1 10 . 1 1 73 73 VAL HA H 418 4.782 4.782 4.166 0.616 18297 4774 1 10 . 1 1 73 73 VAL C C 418 174.804 174.804 174.473 0.331 18297 4775 1 10 . 1 1 73 73 VAL CA C 418 59.070 59.070 58.867 0.203 18297 4776 1 10 . 1 1 73 73 VAL CB C 418 35.557 35.557 36.133 -0.576 18297 4777 1 10 . 1 1 73 73 VAL H H 418 8.003 8.003 8.931 -0.928 18297 4778 1 10 . 1 1 74 74 ASP N N 419 119.972 119.972 121.601 -1.629 18297 4779 1 10 . 1 1 74 74 ASP HA H 419 3.593 3.593 5.125 -1.532 18297 4780 1 10 . 1 1 74 74 ASP C C 419 177.545 177.545 177.020 0.525 18297 4781 1 10 . 1 1 74 74 ASP CA C 419 56.419 56.419 54.890 1.529 18297 4782 1 10 . 1 1 74 74 ASP CB C 419 42.035 42.035 40.855 1.180 18297 4783 1 10 . 1 1 74 74 ASP H H 419 8.250 8.250 8.508 -0.258 18297 4784 1 10 . 1 1 75 75 GLY N N 420 116.020 116.020 113.089 2.931 18297 4785 1 10 . 1 1 75 75 GLY C C 420 173.763 173.763 173.725 0.038 18297 4786 1 10 . 1 1 75 75 GLY CA C 420 45.354 45.354 44.805 0.549 18297 4787 1 10 . 1 1 75 75 GLY H H 420 8.704 8.704 8.836 -0.132 18297 4788 1 10 . 1 1 76 76 GLN N N 421 121.514 121.514 121.095 0.419 18297 4789 1 10 . 1 1 76 76 GLN HA H 421 4.048 4.048 4.437 -0.389 18297 4790 1 10 . 1 1 76 76 GLN C C 421 175.023 175.023 174.733 0.290 18297 4791 1 10 . 1 1 76 76 GLN CA C 421 56.709 56.709 55.262 1.447 18297 4792 1 10 . 1 1 76 76 GLN CB C 421 29.511 29.511 30.444 -0.933 18297 4793 1 10 . 1 1 76 76 GLN H H 421 7.867 7.867 7.570 0.297 18297 4794 1 10 . 1 1 77 77 GLU N N 422 123.859 123.859 123.383 0.476 18297 4795 1 10 . 1 1 77 77 GLU HA H 422 5.186 5.186 5.454 -0.268 18297 4796 1 10 . 1 1 77 77 GLU C C 422 176.877 176.877 175.862 1.015 18297 4797 1 10 . 1 1 77 77 GLU CA C 422 55.786 55.786 54.809 0.977 18297 4798 1 10 . 1 1 77 77 GLU CB C 422 31.509 31.509 32.188 -0.679 18297 4799 1 10 . 1 1 77 77 GLU H H 422 8.568 8.568 8.513 0.055 18297 4800 1 10 . 1 1 78 78 LEU N N 423 125.867 125.867 124.647 1.220 18297 4801 1 10 . 1 1 78 78 LEU HA H 423 5.080 5.080 4.616 0.464 18297 4802 1 10 . 1 1 78 78 LEU C C 423 174.470 174.470 175.302 -0.832 18297 4803 1 10 . 1 1 78 78 LEU CA C 423 53.686 53.686 53.692 -0.006 18297 4804 1 10 . 1 1 78 78 LEU CB C 423 44.966 44.966 45.197 -0.231 18297 4805 1 10 . 1 1 78 78 LEU H H 423 9.313 9.313 9.034 0.279 18297 4806 1 10 . 1 1 79 79 ALA N N 424 126.044 126.044 125.804 0.240 18297 4807 1 10 . 1 1 79 79 ALA HA H 424 5.206 5.206 5.181 0.025 18297 4808 1 10 . 1 1 79 79 ALA C C 424 176.786 176.786 176.049 0.737 18297 4809 1 10 . 1 1 79 79 ALA CA C 424 51.049 51.049 50.331 0.718 18297 4810 1 10 . 1 1 79 79 ALA CB C 424 20.453 20.453 20.466 -0.013 18297 4811 1 10 . 1 1 79 79 ALA H H 424 8.918 8.918 8.718 0.200 18297 4812 1 10 . 1 1 80 80 VAL N N 425 124.759 124.759 119.361 5.398 18297 4813 1 10 . 1 1 80 80 VAL HA H 425 5.344 5.344 5.562 -0.218 18297 4814 1 10 . 1 1 80 80 VAL C C 425 173.757 173.757 174.195 -0.438 18297 4815 1 10 . 1 1 80 80 VAL CA C 425 60.886 60.886 58.855 2.031 18297 4816 1 10 . 1 1 80 80 VAL CB C 425 34.908 34.908 34.639 0.269 18297 4817 1 10 . 1 1 80 80 VAL H H 425 9.357 9.357 9.097 0.260 18297 4818 1 10 . 1 1 81 81 ALA N N 426 129.353 129.353 126.771 2.582 18297 4819 1 10 . 1 1 81 81 ALA HA H 426 5.045 5.045 4.910 0.135 18297 4820 1 10 . 1 1 81 81 ALA C C 426 175.938 175.938 175.323 0.615 18297 4821 1 10 . 1 1 81 81 ALA CA C 426 50.133 50.133 49.697 0.436 18297 4822 1 10 . 1 1 81 81 ALA CB C 426 22.758 22.758 22.725 0.033 18297 4823 1 10 . 1 1 81 81 ALA H H 426 8.502 8.502 8.870 -0.368 18297 4824 1 10 . 1 1 82 82 ASP N N 427 120.165 120.165 121.473 -1.308 18297 4825 1 10 . 1 1 82 82 ASP HA H 427 5.100 5.100 5.099 0.001 18297 4826 1 10 . 1 1 82 82 ASP C C 427 176.669 176.669 176.944 -0.275 18297 4827 1 10 . 1 1 82 82 ASP CA C 427 54.491 54.491 52.324 2.167 18297 4828 1 10 . 1 1 82 82 ASP CB C 427 46.891 46.891 44.488 2.403 18297 4829 1 10 . 1 1 82 82 ASP H H 427 8.906 8.906 8.079 0.827 18297 4830 1 10 . 1 1 83 83 VAL N N 428 119.201 119.201 117.431 1.770 18297 4831 1 10 . 1 1 83 83 VAL HA H 428 4.153 4.153 4.101 0.052 18297 4832 1 10 . 1 1 83 83 VAL C C 428 177.085 177.085 176.829 0.256 18297 4833 1 10 . 1 1 83 83 VAL CA C 428 63.992 63.992 64.543 -0.551 18297 4834 1 10 . 1 1 83 83 VAL CB C 428 31.772 31.772 31.611 0.161 18297 4835 1 10 . 1 1 83 83 VAL H H 428 8.114 8.114 8.577 -0.463 18297 4836 1 10 . 1 1 84 84 THR N N 429 110.173 110.173 111.183 -1.010 18297 4837 1 10 . 1 1 84 84 THR HA H 429 4.235 4.235 4.510 -0.275 18297 4838 1 10 . 1 1 84 84 THR C C 429 174.905 174.905 174.947 -0.042 18297 4839 1 10 . 1 1 84 84 THR CA C 429 63.533 63.533 62.557 0.976 18297 4840 1 10 . 1 1 84 84 THR CB C 429 70.613 70.613 69.626 0.987 18297 4841 1 10 . 1 1 84 84 THR H H 429 7.899 7.899 8.845 -0.947 18297 4842 1 10 . 1 1 85 85 THR N N 430 116.438 116.438 119.274 -2.836 18297 4843 1 10 . 1 1 85 85 THR HA H 430 5.132 5.132 4.779 0.353 18297 4844 1 10 . 1 1 85 85 THR C C 430 173.160 173.160 172.323 0.837 18297 4845 1 10 . 1 1 85 85 THR CA C 430 57.863 57.863 59.475 -1.612 18297 4846 1 10 . 1 1 85 85 THR CB C 430 71.050 71.050 71.086 -0.036 18297 4847 1 10 . 1 1 85 85 THR H H 430 7.810 7.810 8.044 -0.234 18297 4848 1 10 . 1 1 86 86 PRO HA H 431 4.582 4.582 4.495 0.087 18297 4849 1 10 . 1 1 86 86 PRO CA C 431 64.086 64.086 63.050 1.036 18297 4850 1 10 . 1 1 86 86 PRO CB C 431 31.995 31.995 31.993 0.002 18297 4851 1 10 . 1 1 87 87 GLN N N 432 117.241 117.241 119.582 -2.341 18297 4852 1 10 . 1 1 87 87 GLN HA H 432 4.618 4.618 4.424 0.194 18297 4853 1 10 . 1 1 87 87 GLN C C 432 175.653 175.653 175.141 0.512 18297 4854 1 10 . 1 1 87 87 GLN CA C 432 54.491 54.491 55.036 -0.545 18297 4855 1 10 . 1 1 87 87 GLN CB C 432 30.799 30.799 30.082 0.716 18297 4856 1 10 . 1 1 87 87 GLN H H 432 7.786 7.786 7.800 -0.014 18297 4857 1 10 . 1 1 88 88 THR N N 433 119.651 119.651 122.186 -2.535 18297 4858 1 10 . 1 1 88 88 THR HA H 433 4.440 4.440 4.850 -0.410 18297 4859 1 10 . 1 1 88 88 THR C C 433 173.939 173.939 174.404 -0.465 18297 4860 1 10 . 1 1 88 88 THR CA C 433 63.792 63.792 62.598 1.194 18297 4861 1 10 . 1 1 88 88 THR CB C 433 70.357 70.357 69.206 1.151 18297 4862 1 10 . 1 1 88 88 THR H H 433 8.460 8.460 8.493 -0.033 18297 4863 1 10 . 1 1 89 89 VAL N N 434 128.068 128.068 127.891 0.177 18297 4864 1 10 . 1 1 89 89 VAL HA H 434 4.153 4.153 4.306 -0.153 18297 4865 1 10 . 1 1 89 89 VAL C C 434 174.083 174.083 174.237 -0.154 18297 4866 1 10 . 1 1 89 89 VAL CA C 434 61.827 61.827 61.101 0.726 18297 4867 1 10 . 1 1 89 89 VAL CB C 434 33.937 33.937 33.962 -0.025 18297 4868 1 10 . 1 1 89 89 VAL H H 434 9.275 9.275 9.242 0.033 18297 4869 1 10 . 1 1 90 90 LEU N N 435 125.755 125.755 125.339 0.416 18297 4870 1 10 . 1 1 90 90 LEU HA H 435 5.304 5.304 5.354 -0.050 18297 4871 1 10 . 1 1 90 90 LEU C C 435 176.455 176.455 176.135 0.320 18297 4872 1 10 . 1 1 90 90 LEU CA C 435 53.396 53.396 53.200 0.196 18297 4873 1 10 . 1 1 90 90 LEU CB C 435 44.023 44.023 43.188 0.835 18297 4874 1 10 . 1 1 90 90 LEU H H 435 8.169 8.169 8.642 -0.473 18297 4875 1 10 . 1 1 91 91 PHE N N 436 120.743 120.743 122.541 -1.798 18297 4876 1 10 . 1 1 91 91 PHE HA H 436 5.314 5.314 5.480 -0.166 18297 4877 1 10 . 1 1 91 91 PHE C C 436 174.788 174.788 175.185 -0.397 18297 4878 1 10 . 1 1 91 91 PHE CA C 436 56.327 56.327 56.383 -0.056 18297 4879 1 10 . 1 1 91 91 PHE CB C 436 43.330 43.330 42.990 0.340 18297 4880 1 10 . 1 1 91 91 PHE H H 436 9.222 9.222 9.569 -0.347 18297 4881 1 10 . 1 1 92 92 LYS N N 437 123.120 123.120 122.818 0.302 18297 4882 1 10 . 1 1 92 92 LYS HA H 437 4.708 4.708 5.021 -0.313 18297 4883 1 10 . 1 1 92 92 LYS C C 437 174.606 174.606 175.404 -0.798 18297 4884 1 10 . 1 1 92 92 LYS CA C 437 55.139 55.139 55.509 -0.370 18297 4885 1 10 . 1 1 92 92 LYS CB C 437 34.269 34.269 34.615 -0.346 18297 4886 1 10 . 1 1 92 92 LYS H H 437 8.908 8.908 9.282 -0.374 18297 4887 1 10 . 1 1 93 93 LEU N N 438 128.422 128.422 124.813 3.609 18297 4888 1 10 . 1 1 93 93 LEU HA H 438 4.480 4.480 4.833 -0.353 18297 4889 1 10 . 1 1 93 93 LEU C C 438 175.327 175.327 175.592 -0.265 18297 4890 1 10 . 1 1 93 93 LEU CA C 438 55.139 55.139 53.699 1.440 18297 4891 1 10 . 1 1 93 93 LEU CB C 438 43.976 43.976 41.894 2.082 18297 4892 1 10 . 1 1 93 93 LEU H H 438 8.755 8.755 8.566 0.189 18297 4893 1 10 . 1 1 94 94 HIS N N 439 123.859 123.859 123.348 0.511 18297 4894 1 10 . 1 1 94 94 HIS HA H 439 5.180 5.180 4.898 0.282 18297 4895 1 10 . 1 1 94 94 HIS C C 439 174.297 174.297 173.792 0.505 18297 4896 1 10 . 1 1 94 94 HIS CA C 439 53.396 53.396 54.170 -0.774 18297 4897 1 10 . 1 1 94 94 HIS CB C 439 30.786 30.786 32.119 -1.333 18297 4898 1 10 . 1 1 94 94 HIS H H 439 8.891 8.891 8.662 0.229 18297 4899 1 10 . 1 1 95 95 PHE N N 440 123.544 123.544 124.034 -0.490 18297 4900 1 10 . 1 1 95 95 PHE HA H 440 6.231 6.231 5.852 0.379 18297 4901 1 10 . 1 1 95 95 PHE C C 440 178.229 178.229 177.007 1.222 18297 4902 1 10 . 1 1 95 95 PHE CA C 440 53.690 53.690 56.679 -2.989 18297 4903 1 10 . 1 1 95 95 PHE CB C 440 39.477 39.477 40.961 -1.484 18297 4904 1 10 . 1 1 95 95 PHE H H 440 8.896 8.896 8.879 0.017 18297 4905 1 10 . 1 1 96 96 THR N N 441 114.382 114.382 116.184 -1.802 18297 4906 1 10 . 1 1 96 96 THR HA H 441 4.617 4.617 4.738 -0.121 18297 4907 1 10 . 1 1 96 96 THR C C 441 173.867 173.867 173.935 -0.068 18297 4908 1 10 . 1 1 96 96 THR CA C 441 61.327 61.327 61.084 0.242 18297 4909 1 10 . 1 1 96 96 THR CB C 441 69.561 69.561 69.986 -0.424 18297 4910 1 10 . 1 1 96 96 THR H H 441 7.973 7.973 8.561 -0.588 18297 4911 1 11 . 1 1 2 2 SER HA H 347 4.570 4.570 4.736 -0.166 18297 4912 1 11 . 1 1 2 2 SER C C 347 174.335 174.335 173.448 0.887 18297 4913 1 11 . 1 1 2 2 SER CA C 347 58.350 58.350 57.738 0.612 18297 4914 1 11 . 1 1 2 2 SER CB C 347 63.999 63.999 66.183 -2.184 18297 4915 1 11 . 1 1 3 3 GLN N N 348 122.478 122.478 123.369 -0.891 18297 4916 1 11 . 1 1 3 3 GLN HA H 348 4.430 4.430 4.382 0.048 18297 4917 1 11 . 1 1 3 3 GLN C C 348 175.651 175.651 175.660 -0.009 18297 4918 1 11 . 1 1 3 3 GLN CA C 348 55.743 55.743 56.233 -0.489 18297 4919 1 11 . 1 1 3 3 GLN CB C 348 29.750 29.750 29.387 0.362 18297 4920 1 11 . 1 1 3 3 GLN H H 348 8.532 8.532 8.657 -0.125 18297 4921 1 11 . 1 1 4 4 LEU N N 349 125.369 125.369 122.122 3.247 18297 4922 1 11 . 1 1 4 4 LEU HA H 349 4.634 4.634 4.665 -0.031 18297 4923 1 11 . 1 1 4 4 LEU C C 349 175.324 175.324 174.751 0.573 18297 4924 1 11 . 1 1 4 4 LEU CA C 349 53.197 53.197 52.702 0.495 18297 4925 1 11 . 1 1 4 4 LEU CB C 349 41.867 41.867 41.397 0.470 18297 4926 1 11 . 1 1 4 4 LEU H H 349 8.403 8.403 7.594 0.809 18297 4927 1 11 . 1 1 5 5 PRO HA H 350 4.360 4.360 4.539 -0.179 18297 4928 1 11 . 1 1 5 5 PRO C C 350 176.639 176.639 175.787 0.852 18297 4929 1 11 . 1 1 5 5 PRO CA C 350 62.748 62.748 62.704 0.044 18297 4930 1 11 . 1 1 5 5 PRO CB C 350 32.319 32.319 32.231 0.088 18297 4931 1 11 . 1 1 6 6 GLN N N 351 121.707 121.707 123.357 -1.650 18297 4932 1 11 . 1 1 6 6 GLN HA H 351 4.428 4.428 4.325 0.103 18297 4933 1 11 . 1 1 6 6 GLN C C 351 175.898 175.898 175.033 0.865 18297 4934 1 11 . 1 1 6 6 GLN CA C 351 55.678 55.678 55.065 0.613 18297 4935 1 11 . 1 1 6 6 GLN CB C 351 30.054 30.054 30.434 -0.380 18297 4936 1 11 . 1 1 6 6 GLN H H 351 8.255 8.255 8.560 -0.305 18297 4937 1 11 . 1 1 7 7 ASN N N 352 123.275 123.275 119.621 3.654 18297 4938 1 11 . 1 1 7 7 ASN HA H 352 5.470 5.470 5.752 -0.282 18297 4939 1 11 . 1 1 7 7 ASN C C 352 175.324 175.324 175.245 0.079 18297 4940 1 11 . 1 1 7 7 ASN CA C 352 54.009 54.009 52.159 1.850 18297 4941 1 11 . 1 1 7 7 ASN CB C 352 40.414 40.414 40.251 0.164 18297 4942 1 11 . 1 1 7 7 ASN H H 352 8.860 8.860 8.508 0.352 18297 4943 1 11 . 1 1 8 8 ILE N N 353 119.104 119.104 115.751 3.353 18297 4944 1 11 . 1 1 8 8 ILE HA H 353 4.625 4.625 4.665 -0.040 18297 4945 1 11 . 1 1 8 8 ILE C C 353 173.669 173.669 174.442 -0.773 18297 4946 1 11 . 1 1 8 8 ILE CA C 353 60.201 60.201 59.933 0.268 18297 4947 1 11 . 1 1 8 8 ILE CB C 353 41.404 41.404 42.066 -0.662 18297 4948 1 11 . 1 1 8 8 ILE H H 353 8.808 8.808 8.815 -0.007 18297 4949 1 11 . 1 1 9 9 GLN N N 354 122.671 122.671 126.161 -3.490 18297 4950 1 11 . 1 1 9 9 GLN HA H 354 5.586 5.586 4.999 0.587 18297 4951 1 11 . 1 1 9 9 GLN C C 354 174.274 174.274 174.362 -0.088 18297 4952 1 11 . 1 1 9 9 GLN CA C 354 54.491 54.491 55.047 -0.556 18297 4953 1 11 . 1 1 9 9 GLN CB C 354 31.120 31.120 29.897 1.223 18297 4954 1 11 . 1 1 9 9 GLN H H 354 8.021 8.021 8.490 -0.469 18297 4955 1 11 . 1 1 10 10 PHE N N 355 120.679 120.679 125.088 -4.409 18297 4956 1 11 . 1 1 10 10 PHE HA H 355 4.635 4.635 4.695 -0.060 18297 4957 1 11 . 1 1 10 10 PHE C C 355 174.715 174.715 173.678 1.037 18297 4958 1 11 . 1 1 10 10 PHE CA C 355 57.226 57.226 56.454 0.772 18297 4959 1 11 . 1 1 10 10 PHE CB C 355 45.969 45.969 43.023 2.946 18297 4960 1 11 . 1 1 10 10 PHE H H 355 8.403 8.403 9.041 -0.638 18297 4961 1 11 . 1 1 11 11 SER N N 356 116.116 116.116 117.599 -1.483 18297 4962 1 11 . 1 1 11 11 SER HA H 356 5.020 5.020 5.223 -0.203 18297 4963 1 11 . 1 1 11 11 SER C C 356 174.917 174.917 174.220 0.697 18297 4964 1 11 . 1 1 11 11 SER CA C 356 56.110 56.110 55.834 0.276 18297 4965 1 11 . 1 1 11 11 SER CB C 356 63.879 63.879 63.005 0.874 18297 4966 1 11 . 1 1 11 11 SER H H 356 8.757 8.757 8.680 0.077 18297 4967 1 11 . 1 1 12 12 PRO HA H 357 3.776 3.776 4.128 -0.352 18297 4968 1 11 . 1 1 12 12 PRO C C 357 176.155 176.155 177.489 -1.334 18297 4969 1 11 . 1 1 12 12 PRO CA C 357 64.886 64.886 65.204 -0.318 18297 4970 1 11 . 1 1 12 12 PRO CB C 357 31.222 31.222 31.579 -0.357 18297 4971 1 11 . 1 1 13 13 SER N N 358 107.859 107.859 111.328 -3.469 18297 4972 1 11 . 1 1 13 13 SER HA H 358 4.388 4.388 4.432 -0.044 18297 4973 1 11 . 1 1 13 13 SER C C 358 173.972 173.972 173.990 -0.018 18297 4974 1 11 . 1 1 13 13 SER CA C 358 57.728 57.728 58.792 -1.064 18297 4975 1 11 . 1 1 13 13 SER CB C 358 63.879 63.879 62.883 0.996 18297 4976 1 11 . 1 1 13 13 SER H H 358 7.636 7.636 8.274 -0.638 18297 4977 1 11 . 1 1 14 14 ALA N N 359 126.012 126.012 125.830 0.182 18297 4978 1 11 . 1 1 14 14 ALA HA H 359 4.320 4.320 4.599 -0.279 18297 4979 1 11 . 1 1 14 14 ALA C C 359 177.288 177.288 176.185 1.103 18297 4980 1 11 . 1 1 14 14 ALA CA C 359 52.849 52.849 52.144 0.705 18297 4981 1 11 . 1 1 14 14 ALA CB C 359 19.372 19.372 20.467 -1.095 18297 4982 1 11 . 1 1 14 14 ALA H H 359 7.937 7.937 8.104 -0.167 18297 4983 1 11 . 1 1 15 15 LYS N N 360 119.699 119.699 121.479 -1.780 18297 4984 1 11 . 1 1 15 15 LYS HA H 360 4.751 4.751 4.868 -0.117 18297 4985 1 11 . 1 1 15 15 LYS C C 360 179.638 179.638 177.547 2.091 18297 4986 1 11 . 1 1 15 15 LYS CA C 360 54.815 54.815 54.310 0.505 18297 4987 1 11 . 1 1 15 15 LYS CB C 360 33.127 33.127 33.601 -0.474 18297 4988 1 11 . 1 1 15 15 LYS H H 360 8.523 8.523 9.190 -0.667 18297 4989 1 11 . 1 1 16 16 LEU N N 361 123.297 123.297 122.835 0.462 18297 4990 1 11 . 1 1 16 16 LEU HA H 361 3.828 3.828 3.972 -0.144 18297 4991 1 11 . 1 1 16 16 LEU C C 361 178.714 178.714 178.088 0.626 18297 4992 1 11 . 1 1 16 16 LEU CA C 361 58.321 58.321 58.026 0.294 18297 4993 1 11 . 1 1 16 16 LEU CB C 361 40.240 40.240 41.881 -1.641 18297 4994 1 11 . 1 1 16 16 LEU H H 361 8.383 8.383 8.284 0.099 18297 4995 1 11 . 1 1 17 17 GLN N N 362 117.900 117.900 118.110 -0.210 18297 4996 1 11 . 1 1 17 17 GLN HA H 362 3.621 3.621 4.000 -0.379 18297 4997 1 11 . 1 1 17 17 GLN C C 362 176.370 176.370 177.985 -1.615 18297 4998 1 11 . 1 1 17 17 GLN CA C 362 58.547 58.547 59.224 -0.677 18297 4999 1 11 . 1 1 17 17 GLN CB C 362 29.442 29.442 28.492 0.950 18297 5000 1 11 . 1 1 17 17 GLN H H 362 8.766 8.766 7.936 0.830 18297 5001 1 11 . 1 1 18 18 GLU N N 363 116.341 116.341 119.652 -3.311 18297 5002 1 11 . 1 1 18 18 GLU HA H 363 4.201 4.201 4.275 -0.074 18297 5003 1 11 . 1 1 18 18 GLU C C 363 180.135 180.135 179.211 0.924 18297 5004 1 11 . 1 1 18 18 GLU CA C 363 59.669 59.669 58.978 0.690 18297 5005 1 11 . 1 1 18 18 GLU CB C 363 29.870 29.870 29.612 0.258 18297 5006 1 11 . 1 1 18 18 GLU H H 363 7.783 7.783 7.597 0.186 18297 5007 1 11 . 1 1 19 19 VAL N N 364 120.647 120.647 119.707 0.940 18297 5008 1 11 . 1 1 19 19 VAL HA H 364 3.421 3.421 3.490 -0.069 18297 5009 1 11 . 1 1 19 19 VAL C C 364 177.380 177.380 177.701 -0.321 18297 5010 1 11 . 1 1 19 19 VAL CA C 364 65.433 65.433 66.130 -0.697 18297 5011 1 11 . 1 1 19 19 VAL CB C 364 30.964 30.964 31.211 -0.247 18297 5012 1 11 . 1 1 19 19 VAL H H 364 7.224 7.224 7.224 0.000 18297 5013 1 11 . 1 1 20 20 LEU N N 365 120.743 120.743 119.807 0.936 18297 5014 1 11 . 1 1 20 20 LEU HA H 365 3.916 3.916 3.800 0.116 18297 5015 1 11 . 1 1 20 20 LEU C C 365 178.974 178.974 178.756 0.218 18297 5016 1 11 . 1 1 20 20 LEU CA C 365 58.612 58.612 57.942 0.670 18297 5017 1 11 . 1 1 20 20 LEU CB C 365 41.425 41.425 41.233 0.192 18297 5018 1 11 . 1 1 20 20 LEU H H 365 7.517 7.517 7.335 0.182 18297 5019 1 11 . 1 1 21 21 ASP N N 366 119.329 119.329 119.334 -0.005 18297 5020 1 11 . 1 1 21 21 ASP HA H 366 4.306 4.306 4.544 -0.238 18297 5021 1 11 . 1 1 21 21 ASP C C 366 177.992 177.992 179.454 -1.462 18297 5022 1 11 . 1 1 21 21 ASP CA C 366 57.405 57.405 57.617 -0.212 18297 5023 1 11 . 1 1 21 21 ASP CB C 366 40.265 40.265 40.945 -0.680 18297 5024 1 11 . 1 1 21 21 ASP H H 366 8.805 8.805 7.782 1.024 18297 5025 1 11 . 1 1 22 22 TYR N N 367 121.643 121.643 121.101 0.542 18297 5026 1 11 . 1 1 22 22 TYR HA H 367 4.305 4.305 4.306 -0.001 18297 5027 1 11 . 1 1 22 22 TYR C C 367 177.701 177.701 177.058 0.643 18297 5028 1 11 . 1 1 22 22 TYR CA C 367 61.777 61.777 60.504 1.274 18297 5029 1 11 . 1 1 22 22 TYR CB C 367 38.801 38.801 38.811 -0.010 18297 5030 1 11 . 1 1 22 22 TYR H H 367 7.718 7.718 8.005 -0.287 18297 5031 1 11 . 1 1 23 23 LEU N N 368 118.414 118.414 119.154 -0.740 18297 5032 1 11 . 1 1 23 23 LEU HA H 368 3.910 3.910 3.944 -0.034 18297 5033 1 11 . 1 1 23 23 LEU C C 368 178.019 178.019 177.721 0.298 18297 5034 1 11 . 1 1 23 23 LEU CA C 368 57.773 57.773 57.390 0.383 18297 5035 1 11 . 1 1 23 23 LEU CB C 368 42.032 42.032 42.266 -0.234 18297 5036 1 11 . 1 1 23 23 LEU H H 368 8.060 8.060 7.715 0.345 18297 5037 1 11 . 1 1 24 24 THR N N 369 106.606 106.606 109.270 -2.664 18297 5038 1 11 . 1 1 24 24 THR HA H 369 4.507 4.507 4.322 0.185 18297 5039 1 11 . 1 1 24 24 THR C C 369 176.576 176.576 173.551 3.025 18297 5040 1 11 . 1 1 24 24 THR CA C 369 63.245 63.245 63.201 0.044 18297 5041 1 11 . 1 1 24 24 THR CB C 369 70.517 70.517 70.047 0.470 18297 5042 1 11 . 1 1 24 24 THR H H 369 8.017 8.017 7.631 0.386 18297 5043 1 11 . 1 1 25 25 ASN N N 370 118.847 118.847 119.639 -0.792 18297 5044 1 11 . 1 1 25 25 ASN HA H 370 4.846 4.846 4.795 0.051 18297 5045 1 11 . 1 1 25 25 ASN C C 370 176.455 176.455 175.216 1.239 18297 5046 1 11 . 1 1 25 25 ASN CA C 370 53.944 53.944 52.291 1.653 18297 5047 1 11 . 1 1 25 25 ASN CB C 370 39.718 39.718 40.771 -1.053 18297 5048 1 11 . 1 1 25 25 ASN H H 370 8.149 8.149 8.341 -0.192 18297 5049 1 11 . 1 1 26 26 SER N N 371 116.888 116.888 120.336 -3.448 18297 5050 1 11 . 1 1 26 26 SER HA H 371 4.375 4.375 4.505 -0.130 18297 5051 1 11 . 1 1 26 26 SER C C 371 176.257 176.257 174.870 1.387 18297 5052 1 11 . 1 1 26 26 SER CA C 371 59.603 59.603 60.988 -1.385 18297 5053 1 11 . 1 1 26 26 SER CB C 371 63.792 63.792 63.444 0.348 18297 5054 1 11 . 1 1 26 26 SER H H 371 7.889 7.889 8.761 -0.872 18297 5055 1 11 . 1 1 27 27 ALA N N 372 128.743 128.743 121.749 6.994 18297 5056 1 11 . 1 1 27 27 ALA HA H 372 4.228 4.228 4.292 -0.064 18297 5057 1 11 . 1 1 27 27 ALA C C 372 178.538 178.538 179.843 -1.305 18297 5058 1 11 . 1 1 27 27 ALA CA C 372 54.491 54.491 53.877 0.614 18297 5059 1 11 . 1 1 27 27 ALA CB C 372 18.772 18.772 18.661 0.111 18297 5060 1 11 . 1 1 27 27 ALA H H 372 8.836 8.836 8.247 0.589 18297 5061 1 11 . 1 1 28 28 SER N N 373 110.751 110.751 114.449 -3.698 18297 5062 1 11 . 1 1 28 28 SER HA H 373 4.426 4.426 4.414 0.012 18297 5063 1 11 . 1 1 28 28 SER C C 373 174.548 174.548 175.360 -0.812 18297 5064 1 11 . 1 1 28 28 SER CA C 373 59.415 59.415 60.368 -0.953 18297 5065 1 11 . 1 1 28 28 SER CB C 373 63.394 63.394 63.614 -0.220 18297 5066 1 11 . 1 1 28 28 SER H H 373 8.069 8.069 8.992 -0.923 18297 5067 1 11 . 1 1 29 29 LEU N N 374 122.012 122.012 120.755 1.257 18297 5068 1 11 . 1 1 29 29 LEU HA H 374 4.465 4.465 4.495 -0.030 18297 5069 1 11 . 1 1 29 29 LEU C C 374 175.716 175.716 176.567 -0.851 18297 5070 1 11 . 1 1 29 29 LEU CA C 374 56.132 56.132 53.554 2.578 18297 5071 1 11 . 1 1 29 29 LEU CB C 374 44.295 44.295 42.038 2.257 18297 5072 1 11 . 1 1 29 29 LEU H H 374 7.547 7.547 7.572 -0.025 18297 5073 1 11 . 1 1 30 30 GLN N N 375 116.052 116.052 118.756 -2.704 18297 5074 1 11 . 1 1 30 30 GLN HA H 375 4.003 4.003 3.960 0.043 18297 5075 1 11 . 1 1 30 30 GLN C C 375 175.498 175.498 178.025 -2.527 18297 5076 1 11 . 1 1 30 30 GLN CA C 375 56.434 56.434 59.124 -2.690 18297 5077 1 11 . 1 1 30 30 GLN CB C 375 27.948 27.948 28.719 -0.771 18297 5078 1 11 . 1 1 30 30 GLN H H 375 8.060 8.060 7.809 0.251 18297 5079 1 11 . 1 1 31 31 MET N N 376 117.691 117.691 113.010 4.681 18297 5080 1 11 . 1 1 31 31 MET HA H 376 4.283 4.283 4.743 -0.460 18297 5081 1 11 . 1 1 31 31 MET C C 376 175.843 175.843 176.545 -0.702 18297 5082 1 11 . 1 1 31 31 MET CA C 376 57.728 57.728 56.948 0.780 18297 5083 1 11 . 1 1 31 31 MET CB C 376 33.451 33.451 33.334 0.117 18297 5084 1 11 . 1 1 31 31 MET H H 376 8.211 8.211 7.975 0.236 18297 5085 1 11 . 1 1 32 32 LYS N N 377 122.028 122.028 120.674 1.354 18297 5086 1 11 . 1 1 32 32 LYS HA H 377 4.414 4.414 4.286 0.128 18297 5087 1 11 . 1 1 32 32 LYS C C 377 177.837 177.837 176.393 1.444 18297 5088 1 11 . 1 1 32 32 LYS CA C 377 58.052 58.052 56.445 1.607 18297 5089 1 11 . 1 1 32 32 LYS CB C 377 34.994 34.994 32.150 2.844 18297 5090 1 11 . 1 1 32 32 LYS H H 377 9.461 9.461 8.204 1.257 18297 5091 1 11 . 1 1 33 33 SER N N 378 115.056 115.056 116.972 -1.916 18297 5092 1 11 . 1 1 33 33 SER HA H 378 4.650 4.650 4.439 0.211 18297 5093 1 11 . 1 1 33 33 SER C C 378 172.026 172.026 173.419 -1.393 18297 5094 1 11 . 1 1 33 33 SER CA C 378 55.038 55.038 56.603 -1.565 18297 5095 1 11 . 1 1 33 33 SER CB C 378 62.908 62.908 62.932 -0.024 18297 5096 1 11 . 1 1 33 33 SER H H 378 10.101 10.101 7.315 2.786 18297 5097 1 11 . 1 1 34 34 PRO HA H 379 5.043 5.043 4.338 0.705 18297 5098 1 11 . 1 1 34 34 PRO C C 379 175.422 175.422 175.585 -0.163 18297 5099 1 11 . 1 1 34 34 PRO CA C 379 63.792 63.792 63.371 0.421 18297 5100 1 11 . 1 1 34 34 PRO CB C 379 33.703 33.703 32.155 1.548 18297 5101 1 11 . 1 1 35 35 ALA N N 380 121.498 121.498 124.422 -2.924 18297 5102 1 11 . 1 1 35 35 ALA HA H 380 5.137 5.137 4.478 0.659 18297 5103 1 11 . 1 1 35 35 ALA C C 380 177.313 177.313 175.499 1.814 18297 5104 1 11 . 1 1 35 35 ALA CA C 380 50.661 50.661 50.292 0.369 18297 5105 1 11 . 1 1 35 35 ALA CB C 380 22.118 22.118 21.693 0.425 18297 5106 1 11 . 1 1 35 35 ALA H H 380 8.894 8.894 8.713 0.181 18297 5107 1 11 . 1 1 36 36 ILE N N 381 120.470 120.470 119.558 0.912 18297 5108 1 11 . 1 1 36 36 ILE HA H 381 4.967 4.967 5.435 -0.468 18297 5109 1 11 . 1 1 36 36 ILE C C 381 175.314 175.314 175.001 0.313 18297 5110 1 11 . 1 1 36 36 ILE CA C 381 61.056 61.056 59.301 1.755 18297 5111 1 11 . 1 1 36 36 ILE CB C 381 41.364 41.364 40.774 0.590 18297 5112 1 11 . 1 1 36 36 ILE H H 381 9.038 9.038 8.549 0.489 18297 5113 1 11 . 1 1 37 37 THR N N 382 123.297 123.297 121.221 2.076 18297 5114 1 11 . 1 1 37 37 THR HA H 382 5.252 5.252 4.846 0.406 18297 5115 1 11 . 1 1 37 37 THR C C 382 172.289 172.289 172.568 -0.279 18297 5116 1 11 . 1 1 37 37 THR CA C 382 60.977 60.977 61.247 -0.270 18297 5117 1 11 . 1 1 37 37 THR CB C 382 71.919 71.919 72.421 -0.502 18297 5118 1 11 . 1 1 37 37 THR H H 382 9.363 9.363 8.641 0.722 18297 5119 1 11 . 1 1 38 38 ALA N N 383 123.340 123.340 126.582 -3.242 18297 5120 1 11 . 1 1 38 38 ALA HA H 383 4.935 4.935 5.029 -0.094 18297 5121 1 11 . 1 1 38 38 ALA C C 383 175.743 175.743 175.672 0.071 18297 5122 1 11 . 1 1 38 38 ALA CA C 383 51.147 51.147 50.842 0.305 18297 5123 1 11 . 1 1 38 38 ALA CB C 383 22.758 22.758 22.499 0.259 18297 5124 1 11 . 1 1 38 38 ALA H H 383 8.896 8.896 8.273 0.623 18297 5125 1 11 . 1 1 39 39 THR N N 384 118.815 118.815 115.973 2.842 18297 5126 1 11 . 1 1 39 39 THR HA H 384 4.892 4.892 5.190 -0.298 18297 5127 1 11 . 1 1 39 39 THR C C 384 174.098 174.098 174.027 0.071 18297 5128 1 11 . 1 1 39 39 THR CA C 384 62.310 62.310 60.969 1.341 18297 5129 1 11 . 1 1 39 39 THR CB C 384 69.263 69.263 69.397 -0.134 18297 5130 1 11 . 1 1 39 39 THR H H 384 8.968 8.968 8.447 0.521 18297 5131 1 11 . 1 1 40 40 LEU N N 385 128.711 128.711 126.605 2.106 18297 5132 1 11 . 1 1 40 40 LEU HA H 385 4.791 4.791 4.744 0.047 18297 5133 1 11 . 1 1 40 40 LEU C C 385 176.479 176.479 176.292 0.187 18297 5134 1 11 . 1 1 40 40 LEU CA C 385 53.944 53.944 53.939 0.005 18297 5135 1 11 . 1 1 40 40 LEU CB C 385 44.966 44.966 45.779 -0.813 18297 5136 1 11 . 1 1 40 40 LEU H H 385 8.667 8.667 9.017 -0.350 18297 5137 1 11 . 1 1 41 41 GLU N N 386 124.470 124.470 126.562 -2.092 18297 5138 1 11 . 1 1 41 41 GLU HA H 386 3.936 3.936 3.919 0.017 18297 5139 1 11 . 1 1 41 41 GLU C C 386 176.878 176.878 176.323 0.555 18297 5140 1 11 . 1 1 41 41 GLU CA C 386 57.226 57.226 56.530 0.696 18297 5141 1 11 . 1 1 41 41 GLU CB C 386 27.735 27.735 29.153 -1.418 18297 5142 1 11 . 1 1 41 41 GLU H H 386 9.547 9.547 9.306 0.241 18297 5143 1 11 . 1 1 42 42 GLY N N 387 104.068 104.068 104.542 -0.474 18297 5144 1 11 . 1 1 42 42 GLY C C 387 173.993 173.993 173.680 0.313 18297 5145 1 11 . 1 1 42 42 GLY CA C 387 45.596 45.596 44.948 0.648 18297 5146 1 11 . 1 1 42 42 GLY H H 387 8.578 8.578 8.324 0.254 18297 5147 1 11 . 1 1 43 43 LYS N N 388 120.422 120.422 121.318 -0.896 18297 5148 1 11 . 1 1 43 43 LYS HA H 388 4.701 4.701 4.564 0.137 18297 5149 1 11 . 1 1 43 43 LYS C C 388 175.054 175.054 175.050 0.004 18297 5150 1 11 . 1 1 43 43 LYS CA C 388 54.491 54.491 54.761 -0.271 18297 5151 1 11 . 1 1 43 43 LYS CB C 388 34.968 34.968 34.623 0.345 18297 5152 1 11 . 1 1 43 43 LYS H H 388 7.826 7.826 7.769 0.057 18297 5153 1 11 . 1 1 44 44 ASN N N 389 122.606 122.606 122.617 -0.011 18297 5154 1 11 . 1 1 44 44 ASN HA H 389 4.895 4.895 5.016 -0.121 18297 5155 1 11 . 1 1 44 44 ASN C C 389 174.905 174.905 174.755 0.150 18297 5156 1 11 . 1 1 44 44 ASN CA C 389 53.944 53.944 53.513 0.431 18297 5157 1 11 . 1 1 44 44 ASN CB C 389 39.229 39.229 39.244 -0.015 18297 5158 1 11 . 1 1 44 44 ASN H H 389 8.827 8.827 8.718 0.109 18297 5159 1 11 . 1 1 45 45 ARG N N 390 125.867 125.867 126.024 -0.157 18297 5160 1 11 . 1 1 45 45 ARG HA H 390 4.756 4.756 4.687 0.069 18297 5161 1 11 . 1 1 45 45 ARG C C 390 175.224 175.224 175.632 -0.408 18297 5162 1 11 . 1 1 45 45 ARG CA C 390 54.491 54.491 54.913 -0.422 18297 5163 1 11 . 1 1 45 45 ARG CB C 390 32.973 32.973 33.081 -0.108 18297 5164 1 11 . 1 1 45 45 ARG H H 390 9.220 9.220 9.082 0.138 18297 5165 1 11 . 1 1 46 46 THR N N 391 122.574 122.574 123.546 -0.972 18297 5166 1 11 . 1 1 46 46 THR HA H 391 4.289 4.289 4.621 -0.332 18297 5167 1 11 . 1 1 46 46 THR C C 391 174.010 174.010 173.927 0.083 18297 5168 1 11 . 1 1 46 46 THR CA C 391 63.509 63.509 63.981 -0.472 18297 5169 1 11 . 1 1 46 46 THR CB C 391 68.716 68.716 69.089 -0.373 18297 5170 1 11 . 1 1 46 46 THR H H 391 8.940 8.940 8.471 0.469 18297 5171 1 11 . 1 1 47 47 LEU N N 392 128.647 128.647 126.407 2.240 18297 5172 1 11 . 1 1 47 47 LEU HA H 392 4.339 4.339 4.585 -0.246 18297 5173 1 11 . 1 1 47 47 LEU C C 392 176.670 176.670 176.502 0.168 18297 5174 1 11 . 1 1 47 47 LEU CA C 392 56.132 56.132 56.329 -0.197 18297 5175 1 11 . 1 1 47 47 LEU CB C 392 42.678 42.678 43.353 -0.675 18297 5176 1 11 . 1 1 47 47 LEU H H 392 9.096 9.096 8.629 0.467 18297 5177 1 11 . 1 1 48 48 TYR N N 393 113.514 113.514 115.550 -2.036 18297 5178 1 11 . 1 1 48 48 TYR HA H 393 4.618 4.618 4.613 0.005 18297 5179 1 11 . 1 1 48 48 TYR C C 393 173.455 173.455 173.906 -0.451 18297 5180 1 11 . 1 1 48 48 TYR CA C 393 59.415 59.415 59.174 0.241 18297 5181 1 11 . 1 1 48 48 TYR CB C 393 41.384 41.384 42.309 -0.924 18297 5182 1 11 . 1 1 48 48 TYR H H 393 7.562 7.562 7.632 -0.070 18297 5183 1 11 . 1 1 57 57 GLU N N 402 128.181 128.181 119.138 9.043 18297 5184 1 11 . 1 1 57 57 GLU H H 402 8.645 8.645 8.706 -0.061 18297 5185 1 11 . 1 1 58 58 ARG N N 403 117.080 117.080 117.547 -0.467 18297 5186 1 11 . 1 1 58 58 ARG HA H 403 4.302 4.302 4.350 -0.048 18297 5187 1 11 . 1 1 58 58 ARG CA C 403 58.321 58.321 55.867 2.454 18297 5188 1 11 . 1 1 58 58 ARG CB C 403 31.165 31.165 30.718 0.447 18297 5189 1 11 . 1 1 58 58 ARG H H 403 8.278 8.278 7.570 0.708 18297 5190 1 11 . 1 1 59 59 THR N N 404 108.390 108.390 112.989 -4.599 18297 5191 1 11 . 1 1 59 59 THR HA H 404 4.932 4.932 3.492 1.440 18297 5192 1 11 . 1 1 59 59 THR H H 404 8.301 8.301 8.320 -0.019 18297 5193 1 11 . 1 1 60 60 ARG N N 405 126.639 126.639 120.358 6.281 18297 5194 1 11 . 1 1 60 60 ARG H H 405 8.549 8.549 7.789 0.760 18297 5195 1 11 . 1 1 61 61 PRO HA H 406 4.431 4.431 4.351 0.080 18297 5196 1 11 . 1 1 61 61 PRO C C 406 178.434 178.434 178.384 0.050 18297 5197 1 11 . 1 1 61 61 PRO CA C 406 65.980 65.980 65.697 0.284 18297 5198 1 11 . 1 1 61 61 PRO CB C 406 31.348 31.348 31.193 0.155 18297 5199 1 11 . 1 1 62 62 ASN N N 407 114.574 114.574 117.871 -3.297 18297 5200 1 11 . 1 1 62 62 ASN HA H 407 4.390 4.390 4.522 -0.132 18297 5201 1 11 . 1 1 62 62 ASN C C 407 177.863 177.863 178.107 -0.244 18297 5202 1 11 . 1 1 62 62 ASN CA C 407 55.308 55.308 56.055 -0.747 18297 5203 1 11 . 1 1 62 62 ASN CB C 407 37.530 37.530 38.344 -0.814 18297 5204 1 11 . 1 1 62 62 ASN H H 407 8.481 8.481 8.107 0.374 18297 5205 1 11 . 1 1 63 63 LEU N N 408 115.667 115.667 119.279 -3.612 18297 5206 1 11 . 1 1 63 63 LEU HA H 408 3.861 3.861 4.163 -0.302 18297 5207 1 11 . 1 1 63 63 LEU C C 408 177.708 177.708 178.417 -0.709 18297 5208 1 11 . 1 1 63 63 LEU CA C 408 57.667 57.667 57.720 -0.053 18297 5209 1 11 . 1 1 63 63 LEU CB C 408 41.706 41.706 41.825 -0.119 18297 5210 1 11 . 1 1 63 63 LEU H H 408 8.022 8.022 7.988 0.034 18297 5211 1 11 . 1 1 64 64 SER N N 409 109.209 109.209 111.572 -2.363 18297 5212 1 11 . 1 1 64 64 SER HA H 409 4.588 4.588 4.406 0.182 18297 5213 1 11 . 1 1 64 64 SER C C 409 173.870 173.870 174.266 -0.396 18297 5214 1 11 . 1 1 64 64 SER CA C 409 58.321 58.321 59.655 -1.334 18297 5215 1 11 . 1 1 64 64 SER CB C 409 63.855 63.855 63.377 0.478 18297 5216 1 11 . 1 1 64 64 SER H H 409 7.232 7.232 7.417 -0.185 18297 5217 1 11 . 1 1 65 65 LYS N N 410 122.735 122.735 119.995 2.740 18297 5218 1 11 . 1 1 65 65 LYS HA H 410 4.609 4.609 4.542 0.067 18297 5219 1 11 . 1 1 65 65 LYS C C 410 175.946 175.946 176.265 -0.319 18297 5220 1 11 . 1 1 65 65 LYS CA C 410 55.463 55.463 53.854 1.609 18297 5221 1 11 . 1 1 65 65 LYS CB C 410 34.422 34.422 33.726 0.696 18297 5222 1 11 . 1 1 65 65 LYS H H 410 7.543 7.543 7.290 0.253 18297 5223 1 11 . 1 1 66 66 THR N N 411 110.944 110.944 110.898 0.046 18297 5224 1 11 . 1 1 66 66 THR HA H 411 5.003 5.003 4.791 0.212 18297 5225 1 11 . 1 1 66 66 THR C C 411 176.038 176.038 176.511 -0.473 18297 5226 1 11 . 1 1 66 66 THR CA C 411 60.221 60.221 60.848 -0.627 18297 5227 1 11 . 1 1 66 66 THR CB C 411 70.956 70.956 70.805 0.151 18297 5228 1 11 . 1 1 66 66 THR H H 411 8.980 8.980 8.696 0.284 18297 5229 1 11 . 1 1 67 67 LEU N N 412 118.076 118.076 121.021 -2.945 18297 5230 1 11 . 1 1 67 67 LEU HA H 412 3.961 3.961 4.021 -0.060 18297 5231 1 11 . 1 1 67 67 LEU C C 412 179.227 179.227 179.077 0.150 18297 5232 1 11 . 1 1 67 67 LEU CA C 412 58.321 58.321 58.678 -0.357 18297 5233 1 11 . 1 1 67 67 LEU CB C 412 39.914 39.914 41.671 -1.757 18297 5234 1 11 . 1 1 67 67 LEU H H 412 8.434 8.434 8.813 -0.379 18297 5235 1 11 . 1 1 68 68 LYS N N 413 116.373 116.373 118.370 -1.997 18297 5236 1 11 . 1 1 68 68 LYS HA H 413 4.285 4.285 4.236 0.049 18297 5237 1 11 . 1 1 68 68 LYS C C 413 181.338 181.338 179.694 1.644 18297 5238 1 11 . 1 1 68 68 LYS CA C 413 58.868 58.868 59.042 -0.174 18297 5239 1 11 . 1 1 68 68 LYS CB C 413 32.606 32.606 32.007 0.599 18297 5240 1 11 . 1 1 68 68 LYS H H 413 8.171 8.171 7.986 0.185 18297 5241 1 11 . 1 1 69 69 GLU N N 414 123.731 123.731 119.249 4.482 18297 5242 1 11 . 1 1 69 69 GLU HA H 414 4.072 4.072 4.075 -0.003 18297 5243 1 11 . 1 1 69 69 GLU C C 414 179.202 179.202 178.081 1.121 18297 5244 1 11 . 1 1 69 69 GLU CA C 414 58.868 58.868 58.557 0.311 18297 5245 1 11 . 1 1 69 69 GLU CB C 414 29.566 29.566 29.448 0.118 18297 5246 1 11 . 1 1 69 69 GLU H H 414 8.326 8.326 7.954 0.372 18297 5247 1 11 . 1 1 70 70 LEU N N 415 119.008 119.008 117.072 1.936 18297 5248 1 11 . 1 1 70 70 LEU HA H 415 4.218 4.218 4.198 0.020 18297 5249 1 11 . 1 1 70 70 LEU C C 415 176.505 176.505 176.953 -0.448 18297 5250 1 11 . 1 1 70 70 LEU CA C 415 55.822 55.822 54.851 0.971 18297 5251 1 11 . 1 1 70 70 LEU CB C 415 43.012 43.012 41.942 1.070 18297 5252 1 11 . 1 1 70 70 LEU H H 415 7.993 7.993 7.249 0.744 18297 5253 1 11 . 1 1 71 71 GLY N N 416 105.578 105.578 106.005 -0.427 18297 5254 1 11 . 1 1 71 71 GLY C C 416 174.505 174.505 174.517 -0.012 18297 5255 1 11 . 1 1 71 71 GLY CA C 416 45.191 45.191 45.189 0.002 18297 5256 1 11 . 1 1 71 71 GLY H H 416 7.880 7.880 7.769 0.111 18297 5257 1 11 . 1 1 72 72 LEU N N 417 119.201 119.201 122.336 -3.135 18297 5258 1 11 . 1 1 72 72 LEU HA H 417 4.599 4.599 4.689 -0.090 18297 5259 1 11 . 1 1 72 72 LEU C C 417 176.208 176.208 176.231 -0.023 18297 5260 1 11 . 1 1 72 72 LEU CA C 417 54.815 54.815 54.755 0.060 18297 5261 1 11 . 1 1 72 72 LEU CB C 417 41.867 41.867 42.912 -1.045 18297 5262 1 11 . 1 1 72 72 LEU H H 417 7.466 7.466 7.704 -0.238 18297 5263 1 11 . 1 1 73 73 VAL N N 418 112.871 112.871 117.218 -4.347 18297 5264 1 11 . 1 1 73 73 VAL HA H 418 4.782 4.782 4.540 0.242 18297 5265 1 11 . 1 1 73 73 VAL C C 418 174.804 174.804 174.775 0.029 18297 5266 1 11 . 1 1 73 73 VAL CA C 418 59.070 59.070 59.580 -0.510 18297 5267 1 11 . 1 1 73 73 VAL CB C 418 35.557 35.557 35.057 0.500 18297 5268 1 11 . 1 1 73 73 VAL H H 418 8.003 8.003 8.177 -0.174 18297 5269 1 11 . 1 1 74 74 ASP N N 419 119.972 119.972 120.183 -0.211 18297 5270 1 11 . 1 1 74 74 ASP HA H 419 3.593 3.593 4.782 -1.189 18297 5271 1 11 . 1 1 74 74 ASP C C 419 177.545 177.545 177.262 0.283 18297 5272 1 11 . 1 1 74 74 ASP CA C 419 56.419 56.419 54.294 2.125 18297 5273 1 11 . 1 1 74 74 ASP CB C 419 42.035 42.035 41.087 0.948 18297 5274 1 11 . 1 1 74 74 ASP H H 419 8.250 8.250 8.328 -0.078 18297 5275 1 11 . 1 1 75 75 GLY N N 420 116.020 116.020 111.246 4.774 18297 5276 1 11 . 1 1 75 75 GLY C C 420 173.763 173.763 174.249 -0.486 18297 5277 1 11 . 1 1 75 75 GLY CA C 420 45.354 45.354 44.706 0.648 18297 5278 1 11 . 1 1 75 75 GLY H H 420 8.704 8.704 8.449 0.255 18297 5279 1 11 . 1 1 76 76 GLN N N 421 121.514 121.514 120.960 0.554 18297 5280 1 11 . 1 1 76 76 GLN HA H 421 4.048 4.048 4.229 -0.181 18297 5281 1 11 . 1 1 76 76 GLN C C 421 175.023 175.023 174.980 0.043 18297 5282 1 11 . 1 1 76 76 GLN CA C 421 56.709 56.709 55.978 0.731 18297 5283 1 11 . 1 1 76 76 GLN CB C 421 29.511 29.511 29.802 -0.291 18297 5284 1 11 . 1 1 76 76 GLN H H 421 7.867 7.867 7.409 0.458 18297 5285 1 11 . 1 1 77 77 GLU N N 422 123.859 123.859 126.468 -2.609 18297 5286 1 11 . 1 1 77 77 GLU HA H 422 5.186 5.186 4.877 0.309 18297 5287 1 11 . 1 1 77 77 GLU C C 422 176.877 176.877 175.737 1.140 18297 5288 1 11 . 1 1 77 77 GLU CA C 422 55.786 55.786 55.306 0.480 18297 5289 1 11 . 1 1 77 77 GLU CB C 422 31.509 31.509 30.640 0.869 18297 5290 1 11 . 1 1 77 77 GLU H H 422 8.568 8.568 8.506 0.062 18297 5291 1 11 . 1 1 78 78 LEU N N 423 125.867 125.867 127.705 -1.838 18297 5292 1 11 . 1 1 78 78 LEU HA H 423 5.080 5.080 4.594 0.486 18297 5293 1 11 . 1 1 78 78 LEU C C 423 174.470 174.470 175.470 -1.000 18297 5294 1 11 . 1 1 78 78 LEU CA C 423 53.686 53.686 53.721 -0.035 18297 5295 1 11 . 1 1 78 78 LEU CB C 423 44.966 44.966 44.460 0.506 18297 5296 1 11 . 1 1 78 78 LEU H H 423 9.313 9.313 9.127 0.186 18297 5297 1 11 . 1 1 79 79 ALA N N 424 126.044 126.044 126.041 0.003 18297 5298 1 11 . 1 1 79 79 ALA HA H 424 5.206 5.206 4.710 0.496 18297 5299 1 11 . 1 1 79 79 ALA C C 424 176.786 176.786 175.749 1.037 18297 5300 1 11 . 1 1 79 79 ALA CA C 424 51.049 51.049 50.910 0.139 18297 5301 1 11 . 1 1 79 79 ALA CB C 424 20.453 20.453 20.072 0.381 18297 5302 1 11 . 1 1 79 79 ALA H H 424 8.918 8.918 8.935 -0.017 18297 5303 1 11 . 1 1 80 80 VAL N N 425 124.759 124.759 125.207 -0.448 18297 5304 1 11 . 1 1 80 80 VAL HA H 425 5.344 5.344 4.645 0.699 18297 5305 1 11 . 1 1 80 80 VAL C C 425 173.757 173.757 174.382 -0.625 18297 5306 1 11 . 1 1 80 80 VAL CA C 425 60.886 60.886 60.633 0.253 18297 5307 1 11 . 1 1 80 80 VAL CB C 425 34.908 34.908 33.704 1.204 18297 5308 1 11 . 1 1 80 80 VAL H H 425 9.357 9.357 8.756 0.601 18297 5309 1 11 . 1 1 81 81 ALA N N 426 129.353 129.353 129.694 -0.341 18297 5310 1 11 . 1 1 81 81 ALA HA H 426 5.045 5.045 4.734 0.311 18297 5311 1 11 . 1 1 81 81 ALA C C 426 175.938 175.938 174.929 1.009 18297 5312 1 11 . 1 1 81 81 ALA CA C 426 50.133 50.133 50.500 -0.367 18297 5313 1 11 . 1 1 81 81 ALA CB C 426 22.758 22.758 22.330 0.428 18297 5314 1 11 . 1 1 81 81 ALA H H 426 8.502 8.502 8.814 -0.312 18297 5315 1 11 . 1 1 82 82 ASP N N 427 120.165 120.165 121.513 -1.348 18297 5316 1 11 . 1 1 82 82 ASP HA H 427 5.100 5.100 4.905 0.195 18297 5317 1 11 . 1 1 82 82 ASP C C 427 176.669 176.669 176.285 0.384 18297 5318 1 11 . 1 1 82 82 ASP CA C 427 54.491 54.491 52.616 1.875 18297 5319 1 11 . 1 1 82 82 ASP CB C 427 46.891 46.891 44.343 2.548 18297 5320 1 11 . 1 1 82 82 ASP H H 427 8.906 8.906 8.568 0.338 18297 5321 1 11 . 1 1 83 83 VAL N N 428 119.201 119.201 118.364 0.837 18297 5322 1 11 . 1 1 83 83 VAL HA H 428 4.153 4.153 4.277 -0.124 18297 5323 1 11 . 1 1 83 83 VAL C C 428 177.085 177.085 176.385 0.700 18297 5324 1 11 . 1 1 83 83 VAL CA C 428 63.992 63.992 64.000 -0.008 18297 5325 1 11 . 1 1 83 83 VAL CB C 428 31.772 31.772 31.770 0.002 18297 5326 1 11 . 1 1 83 83 VAL H H 428 8.114 8.114 8.662 -0.548 18297 5327 1 11 . 1 1 84 84 THR N N 429 110.173 110.173 114.393 -4.220 18297 5328 1 11 . 1 1 84 84 THR HA H 429 4.235 4.235 4.394 -0.159 18297 5329 1 11 . 1 1 84 84 THR C C 429 174.905 174.905 174.841 0.064 18297 5330 1 11 . 1 1 84 84 THR CA C 429 63.533 63.533 63.602 -0.069 18297 5331 1 11 . 1 1 84 84 THR CB C 429 70.613 70.613 69.740 0.873 18297 5332 1 11 . 1 1 84 84 THR H H 429 7.899 7.899 8.050 -0.151 18297 5333 1 11 . 1 1 85 85 THR N N 430 116.438 116.438 119.951 -3.513 18297 5334 1 11 . 1 1 85 85 THR HA H 430 5.132 5.132 4.743 0.389 18297 5335 1 11 . 1 1 85 85 THR C C 430 173.160 173.160 172.403 0.757 18297 5336 1 11 . 1 1 85 85 THR CA C 430 57.863 57.863 59.959 -2.096 18297 5337 1 11 . 1 1 85 85 THR CB C 430 71.050 71.050 70.090 0.960 18297 5338 1 11 . 1 1 85 85 THR H H 430 7.810 7.810 8.035 -0.225 18297 5339 1 11 . 1 1 86 86 PRO HA H 431 4.582 4.582 4.484 0.098 18297 5340 1 11 . 1 1 86 86 PRO CA C 431 64.086 64.086 62.930 1.156 18297 5341 1 11 . 1 1 86 86 PRO CB C 431 31.995 31.995 31.822 0.173 18297 5342 1 11 . 1 1 87 87 GLN N N 432 117.241 117.241 119.452 -2.211 18297 5343 1 11 . 1 1 87 87 GLN HA H 432 4.618 4.618 4.510 0.108 18297 5344 1 11 . 1 1 87 87 GLN C C 432 175.653 175.653 174.564 1.089 18297 5345 1 11 . 1 1 87 87 GLN CA C 432 54.491 54.491 54.581 -0.090 18297 5346 1 11 . 1 1 87 87 GLN CB C 432 30.799 30.799 31.584 -0.785 18297 5347 1 11 . 1 1 87 87 GLN H H 432 7.786 7.786 7.592 0.194 18297 5348 1 11 . 1 1 88 88 THR N N 433 119.651 119.651 119.792 -0.141 18297 5349 1 11 . 1 1 88 88 THR HA H 433 4.440 4.440 4.562 -0.122 18297 5350 1 11 . 1 1 88 88 THR C C 433 173.939 173.939 174.475 -0.536 18297 5351 1 11 . 1 1 88 88 THR CA C 433 63.792 63.792 62.686 1.106 18297 5352 1 11 . 1 1 88 88 THR CB C 433 70.357 70.357 69.056 1.301 18297 5353 1 11 . 1 1 88 88 THR H H 433 8.460 8.460 8.366 0.094 18297 5354 1 11 . 1 1 89 89 VAL N N 434 128.068 128.068 122.339 5.729 18297 5355 1 11 . 1 1 89 89 VAL HA H 434 4.153 4.153 4.661 -0.508 18297 5356 1 11 . 1 1 89 89 VAL C C 434 174.083 174.083 174.049 0.034 18297 5357 1 11 . 1 1 89 89 VAL CA C 434 61.827 61.827 60.133 1.694 18297 5358 1 11 . 1 1 89 89 VAL CB C 434 33.937 33.937 34.680 -0.743 18297 5359 1 11 . 1 1 89 89 VAL H H 434 9.275 9.275 8.912 0.363 18297 5360 1 11 . 1 1 90 90 LEU N N 435 125.755 125.755 123.842 1.913 18297 5361 1 11 . 1 1 90 90 LEU HA H 435 5.304 5.304 5.327 -0.023 18297 5362 1 11 . 1 1 90 90 LEU C C 435 176.455 176.455 176.258 0.197 18297 5363 1 11 . 1 1 90 90 LEU CA C 435 53.396 53.396 53.676 -0.280 18297 5364 1 11 . 1 1 90 90 LEU CB C 435 44.023 44.023 43.509 0.514 18297 5365 1 11 . 1 1 90 90 LEU H H 435 8.169 8.169 8.520 -0.351 18297 5366 1 11 . 1 1 91 91 PHE N N 436 120.743 120.743 123.333 -2.590 18297 5367 1 11 . 1 1 91 91 PHE HA H 436 5.314 5.314 5.437 -0.123 18297 5368 1 11 . 1 1 91 91 PHE C C 436 174.788 174.788 174.912 -0.124 18297 5369 1 11 . 1 1 91 91 PHE CA C 436 56.327 56.327 56.375 -0.048 18297 5370 1 11 . 1 1 91 91 PHE CB C 436 43.330 43.330 42.996 0.334 18297 5371 1 11 . 1 1 91 91 PHE H H 436 9.222 9.222 9.394 -0.172 18297 5372 1 11 . 1 1 92 92 LYS N N 437 123.120 123.120 122.955 0.165 18297 5373 1 11 . 1 1 92 92 LYS HA H 437 4.708 4.708 5.412 -0.704 18297 5374 1 11 . 1 1 92 92 LYS C C 437 174.606 174.606 174.996 -0.390 18297 5375 1 11 . 1 1 92 92 LYS CA C 437 55.139 55.139 55.039 0.100 18297 5376 1 11 . 1 1 92 92 LYS CB C 437 34.269 34.269 35.143 -0.874 18297 5377 1 11 . 1 1 92 92 LYS H H 437 8.908 8.908 9.380 -0.472 18297 5378 1 11 . 1 1 93 93 LEU N N 438 128.422 128.422 126.067 2.355 18297 5379 1 11 . 1 1 93 93 LEU HA H 438 4.480 4.480 4.682 -0.202 18297 5380 1 11 . 1 1 93 93 LEU C C 438 175.327 175.327 174.718 0.609 18297 5381 1 11 . 1 1 93 93 LEU CA C 438 55.139 55.139 53.528 1.611 18297 5382 1 11 . 1 1 93 93 LEU CB C 438 43.976 43.976 43.194 0.782 18297 5383 1 11 . 1 1 93 93 LEU H H 438 8.755 8.755 8.452 0.303 18297 5384 1 11 . 1 1 94 94 HIS N N 439 123.859 123.859 126.659 -2.800 18297 5385 1 11 . 1 1 94 94 HIS HA H 439 5.180 5.180 4.839 0.341 18297 5386 1 11 . 1 1 94 94 HIS C C 439 174.297 174.297 173.654 0.643 18297 5387 1 11 . 1 1 94 94 HIS CA C 439 53.396 53.396 54.136 -0.740 18297 5388 1 11 . 1 1 94 94 HIS CB C 439 30.786 30.786 32.462 -1.676 18297 5389 1 11 . 1 1 94 94 HIS H H 439 8.891 8.891 9.203 -0.312 18297 5390 1 11 . 1 1 95 95 PHE N N 440 123.544 123.544 124.490 -0.946 18297 5391 1 11 . 1 1 95 95 PHE HA H 440 6.231 6.231 5.891 0.340 18297 5392 1 11 . 1 1 95 95 PHE C C 440 178.229 178.229 176.541 1.688 18297 5393 1 11 . 1 1 95 95 PHE CA C 440 53.690 53.690 57.134 -3.444 18297 5394 1 11 . 1 1 95 95 PHE CB C 440 39.477 39.477 40.343 -0.866 18297 5395 1 11 . 1 1 95 95 PHE H H 440 8.896 8.896 8.915 -0.019 18297 5396 1 11 . 1 1 96 96 THR N N 441 114.382 114.382 119.960 -5.578 18297 5397 1 11 . 1 1 96 96 THR HA H 441 4.617 4.617 4.710 -0.093 18297 5398 1 11 . 1 1 96 96 THR C C 441 173.867 173.867 173.528 0.339 18297 5399 1 11 . 1 1 96 96 THR CA C 441 61.327 61.327 60.497 0.830 18297 5400 1 11 . 1 1 96 96 THR CB C 441 69.561 69.561 69.478 0.083 18297 5401 1 11 . 1 1 96 96 THR H H 441 7.973 7.973 8.370 -0.397 18297 5402 1 12 . 1 1 2 2 SER HA H 347 4.570 4.570 4.721 -0.151 18297 5403 1 12 . 1 1 2 2 SER C C 347 174.335 174.335 174.920 -0.585 18297 5404 1 12 . 1 1 2 2 SER CA C 347 58.350 58.350 57.835 0.515 18297 5405 1 12 . 1 1 2 2 SER CB C 347 63.999 63.999 65.584 -1.585 18297 5406 1 12 . 1 1 3 3 GLN N N 348 122.478 122.478 121.844 0.634 18297 5407 1 12 . 1 1 3 3 GLN HA H 348 4.430 4.430 4.346 0.084 18297 5408 1 12 . 1 1 3 3 GLN C C 348 175.651 175.651 176.161 -0.510 18297 5409 1 12 . 1 1 3 3 GLN CA C 348 55.743 55.743 56.517 -0.774 18297 5410 1 12 . 1 1 3 3 GLN CB C 348 29.750 29.750 28.886 0.864 18297 5411 1 12 . 1 1 3 3 GLN H H 348 8.532 8.532 8.561 -0.029 18297 5412 1 12 . 1 1 4 4 LEU N N 349 125.369 125.369 123.153 2.216 18297 5413 1 12 . 1 1 4 4 LEU HA H 349 4.634 4.634 4.664 -0.030 18297 5414 1 12 . 1 1 4 4 LEU C C 349 175.324 175.324 174.663 0.661 18297 5415 1 12 . 1 1 4 4 LEU CA C 349 53.197 53.197 52.445 0.752 18297 5416 1 12 . 1 1 4 4 LEU CB C 349 41.867 41.867 42.245 -0.377 18297 5417 1 12 . 1 1 4 4 LEU H H 349 8.403 8.403 7.580 0.823 18297 5418 1 12 . 1 1 5 5 PRO HA H 350 4.360 4.360 4.460 -0.100 18297 5419 1 12 . 1 1 5 5 PRO C C 350 176.639 176.639 175.760 0.879 18297 5420 1 12 . 1 1 5 5 PRO CA C 350 62.748 62.748 62.713 0.035 18297 5421 1 12 . 1 1 5 5 PRO CB C 350 32.319 32.319 32.318 0.001 18297 5422 1 12 . 1 1 6 6 GLN N N 351 121.707 121.707 122.456 -0.749 18297 5423 1 12 . 1 1 6 6 GLN HA H 351 4.428 4.428 4.333 0.095 18297 5424 1 12 . 1 1 6 6 GLN C C 351 175.898 175.898 175.209 0.689 18297 5425 1 12 . 1 1 6 6 GLN CA C 351 55.678 55.678 55.530 0.148 18297 5426 1 12 . 1 1 6 6 GLN CB C 351 30.054 30.054 30.054 0.000 18297 5427 1 12 . 1 1 6 6 GLN H H 351 8.255 8.255 8.567 -0.312 18297 5428 1 12 . 1 1 7 7 ASN N N 352 123.275 123.275 119.378 3.897 18297 5429 1 12 . 1 1 7 7 ASN HA H 352 5.470 5.470 5.512 -0.042 18297 5430 1 12 . 1 1 7 7 ASN C C 352 175.324 175.324 175.312 0.012 18297 5431 1 12 . 1 1 7 7 ASN CA C 352 54.009 54.009 52.487 1.522 18297 5432 1 12 . 1 1 7 7 ASN CB C 352 40.414 40.414 40.424 -0.010 18297 5433 1 12 . 1 1 7 7 ASN H H 352 8.860 8.860 8.543 0.317 18297 5434 1 12 . 1 1 8 8 ILE N N 353 119.104 119.104 114.835 4.269 18297 5435 1 12 . 1 1 8 8 ILE HA H 353 4.625 4.625 4.712 -0.087 18297 5436 1 12 . 1 1 8 8 ILE C C 353 173.669 173.669 173.710 -0.041 18297 5437 1 12 . 1 1 8 8 ILE CA C 353 60.201 60.201 59.458 0.743 18297 5438 1 12 . 1 1 8 8 ILE CB C 353 41.404 41.404 41.983 -0.580 18297 5439 1 12 . 1 1 8 8 ILE H H 353 8.808 8.808 8.832 -0.024 18297 5440 1 12 . 1 1 9 9 GLN N N 354 122.671 122.671 125.238 -2.567 18297 5441 1 12 . 1 1 9 9 GLN HA H 354 5.586 5.586 5.281 0.305 18297 5442 1 12 . 1 1 9 9 GLN C C 354 174.274 174.274 174.081 0.193 18297 5443 1 12 . 1 1 9 9 GLN CA C 354 54.491 54.491 54.088 0.403 18297 5444 1 12 . 1 1 9 9 GLN CB C 354 31.120 31.120 31.474 -0.354 18297 5445 1 12 . 1 1 9 9 GLN H H 354 8.021 8.021 8.087 -0.066 18297 5446 1 12 . 1 1 10 10 PHE N N 355 120.679 120.679 124.736 -4.057 18297 5447 1 12 . 1 1 10 10 PHE HA H 355 4.635 4.635 4.791 -0.156 18297 5448 1 12 . 1 1 10 10 PHE C C 355 174.715 174.715 174.410 0.305 18297 5449 1 12 . 1 1 10 10 PHE CA C 355 57.226 57.226 56.592 0.634 18297 5450 1 12 . 1 1 10 10 PHE CB C 355 45.969 45.969 43.859 2.110 18297 5451 1 12 . 1 1 10 10 PHE H H 355 8.403 8.403 9.197 -0.794 18297 5452 1 12 . 1 1 11 11 SER N N 356 116.116 116.116 117.653 -1.537 18297 5453 1 12 . 1 1 11 11 SER HA H 356 5.020 5.020 5.155 -0.135 18297 5454 1 12 . 1 1 11 11 SER C C 356 174.917 174.917 174.092 0.825 18297 5455 1 12 . 1 1 11 11 SER CA C 356 56.110 56.110 55.950 0.160 18297 5456 1 12 . 1 1 11 11 SER CB C 356 63.879 63.879 63.471 0.408 18297 5457 1 12 . 1 1 11 11 SER H H 356 8.757 8.757 8.711 0.046 18297 5458 1 12 . 1 1 12 12 PRO HA H 357 3.776 3.776 4.107 -0.331 18297 5459 1 12 . 1 1 12 12 PRO C C 357 176.155 176.155 177.509 -1.354 18297 5460 1 12 . 1 1 12 12 PRO CA C 357 64.886 64.886 65.211 -0.325 18297 5461 1 12 . 1 1 12 12 PRO CB C 357 31.222 31.222 31.579 -0.357 18297 5462 1 12 . 1 1 13 13 SER N N 358 107.859 107.859 111.091 -3.232 18297 5463 1 12 . 1 1 13 13 SER HA H 358 4.388 4.388 4.494 -0.106 18297 5464 1 12 . 1 1 13 13 SER C C 358 173.972 173.972 174.542 -0.570 18297 5465 1 12 . 1 1 13 13 SER CA C 358 57.728 57.728 58.254 -0.526 18297 5466 1 12 . 1 1 13 13 SER CB C 358 63.879 63.879 62.669 1.210 18297 5467 1 12 . 1 1 13 13 SER H H 358 7.636 7.636 8.045 -0.409 18297 5468 1 12 . 1 1 14 14 ALA N N 359 126.012 126.012 125.432 0.580 18297 5469 1 12 . 1 1 14 14 ALA HA H 359 4.320 4.320 4.630 -0.310 18297 5470 1 12 . 1 1 14 14 ALA C C 359 177.288 177.288 176.343 0.945 18297 5471 1 12 . 1 1 14 14 ALA CA C 359 52.849 52.849 51.797 1.052 18297 5472 1 12 . 1 1 14 14 ALA CB C 359 19.372 19.372 20.631 -1.259 18297 5473 1 12 . 1 1 14 14 ALA H H 359 7.937 7.937 8.112 -0.175 18297 5474 1 12 . 1 1 15 15 LYS N N 360 119.699 119.699 122.098 -2.399 18297 5475 1 12 . 1 1 15 15 LYS HA H 360 4.751 4.751 4.772 -0.021 18297 5476 1 12 . 1 1 15 15 LYS C C 360 179.638 179.638 177.564 2.074 18297 5477 1 12 . 1 1 15 15 LYS CA C 360 54.815 54.815 55.193 -0.378 18297 5478 1 12 . 1 1 15 15 LYS CB C 360 33.127 33.127 33.597 -0.470 18297 5479 1 12 . 1 1 15 15 LYS H H 360 8.523 8.523 9.164 -0.641 18297 5480 1 12 . 1 1 16 16 LEU N N 361 123.297 123.297 123.176 0.121 18297 5481 1 12 . 1 1 16 16 LEU HA H 361 3.828 3.828 3.873 -0.045 18297 5482 1 12 . 1 1 16 16 LEU C C 361 178.714 178.714 178.238 0.476 18297 5483 1 12 . 1 1 16 16 LEU CA C 361 58.321 58.321 58.107 0.214 18297 5484 1 12 . 1 1 16 16 LEU CB C 361 40.240 40.240 41.696 -1.456 18297 5485 1 12 . 1 1 16 16 LEU H H 361 8.383 8.383 8.148 0.235 18297 5486 1 12 . 1 1 17 17 GLN N N 362 117.900 117.900 118.069 -0.169 18297 5487 1 12 . 1 1 17 17 GLN HA H 362 3.621 3.621 4.001 -0.380 18297 5488 1 12 . 1 1 17 17 GLN C C 362 176.370 176.370 178.002 -1.632 18297 5489 1 12 . 1 1 17 17 GLN CA C 362 58.547 58.547 58.686 -0.139 18297 5490 1 12 . 1 1 17 17 GLN CB C 362 29.442 29.442 27.332 2.110 18297 5491 1 12 . 1 1 17 17 GLN H H 362 8.766 8.766 7.697 1.069 18297 5492 1 12 . 1 1 18 18 GLU N N 363 116.341 116.341 120.115 -3.774 18297 5493 1 12 . 1 1 18 18 GLU HA H 363 4.201 4.201 4.100 0.101 18297 5494 1 12 . 1 1 18 18 GLU C C 363 180.135 180.135 178.946 1.189 18297 5495 1 12 . 1 1 18 18 GLU CA C 363 59.669 59.669 59.201 0.468 18297 5496 1 12 . 1 1 18 18 GLU CB C 363 29.870 29.870 29.038 0.832 18297 5497 1 12 . 1 1 18 18 GLU H H 363 7.783 7.783 8.505 -0.722 18297 5498 1 12 . 1 1 19 19 VAL N N 364 120.647 120.647 120.265 0.382 18297 5499 1 12 . 1 1 19 19 VAL HA H 364 3.421 3.421 3.491 -0.070 18297 5500 1 12 . 1 1 19 19 VAL C C 364 177.380 177.380 178.063 -0.683 18297 5501 1 12 . 1 1 19 19 VAL CA C 364 65.433 65.433 65.725 -0.292 18297 5502 1 12 . 1 1 19 19 VAL CB C 364 30.964 30.964 31.108 -0.144 18297 5503 1 12 . 1 1 19 19 VAL H H 364 7.224 7.224 7.027 0.197 18297 5504 1 12 . 1 1 20 20 LEU N N 365 120.743 120.743 119.213 1.530 18297 5505 1 12 . 1 1 20 20 LEU HA H 365 3.916 3.916 3.933 -0.017 18297 5506 1 12 . 1 1 20 20 LEU C C 365 178.974 178.974 178.634 0.340 18297 5507 1 12 . 1 1 20 20 LEU CA C 365 58.612 58.612 57.720 0.892 18297 5508 1 12 . 1 1 20 20 LEU CB C 365 41.425 41.425 40.186 1.239 18297 5509 1 12 . 1 1 20 20 LEU H H 365 7.517 7.517 7.495 0.022 18297 5510 1 12 . 1 1 21 21 ASP N N 366 119.329 119.329 119.628 -0.299 18297 5511 1 12 . 1 1 21 21 ASP HA H 366 4.306 4.306 4.460 -0.154 18297 5512 1 12 . 1 1 21 21 ASP C C 366 177.992 177.992 179.035 -1.043 18297 5513 1 12 . 1 1 21 21 ASP CA C 366 57.405 57.405 57.455 -0.050 18297 5514 1 12 . 1 1 21 21 ASP CB C 366 40.265 40.265 41.172 -0.907 18297 5515 1 12 . 1 1 21 21 ASP H H 366 8.805 8.805 7.778 1.027 18297 5516 1 12 . 1 1 22 22 TYR N N 367 121.643 121.643 120.195 1.448 18297 5517 1 12 . 1 1 22 22 TYR HA H 367 4.305 4.305 4.293 0.012 18297 5518 1 12 . 1 1 22 22 TYR C C 367 177.701 177.701 177.190 0.511 18297 5519 1 12 . 1 1 22 22 TYR CA C 367 61.777 61.777 60.687 1.090 18297 5520 1 12 . 1 1 22 22 TYR CB C 367 38.801 38.801 38.993 -0.192 18297 5521 1 12 . 1 1 22 22 TYR H H 367 7.718 7.718 8.158 -0.440 18297 5522 1 12 . 1 1 23 23 LEU N N 368 118.414 118.414 119.061 -0.647 18297 5523 1 12 . 1 1 23 23 LEU HA H 368 3.910 3.910 3.983 -0.073 18297 5524 1 12 . 1 1 23 23 LEU C C 368 178.019 178.019 177.890 0.129 18297 5525 1 12 . 1 1 23 23 LEU CA C 368 57.773 57.773 57.496 0.277 18297 5526 1 12 . 1 1 23 23 LEU CB C 368 42.032 42.032 42.333 -0.301 18297 5527 1 12 . 1 1 23 23 LEU H H 368 8.060 8.060 7.905 0.155 18297 5528 1 12 . 1 1 24 24 THR N N 369 106.606 106.606 109.513 -2.907 18297 5529 1 12 . 1 1 24 24 THR HA H 369 4.507 4.507 4.365 0.142 18297 5530 1 12 . 1 1 24 24 THR C C 369 176.576 176.576 174.052 2.524 18297 5531 1 12 . 1 1 24 24 THR CA C 369 63.245 63.245 63.096 0.149 18297 5532 1 12 . 1 1 24 24 THR CB C 369 70.517 70.517 70.334 0.183 18297 5533 1 12 . 1 1 24 24 THR H H 369 8.017 8.017 7.618 0.399 18297 5534 1 12 . 1 1 25 25 ASN N N 370 118.847 118.847 119.166 -0.319 18297 5535 1 12 . 1 1 25 25 ASN HA H 370 4.846 4.846 4.940 -0.094 18297 5536 1 12 . 1 1 25 25 ASN C C 370 176.455 176.455 175.202 1.253 18297 5537 1 12 . 1 1 25 25 ASN CA C 370 53.944 53.944 52.157 1.787 18297 5538 1 12 . 1 1 25 25 ASN CB C 370 39.718 39.718 41.456 -1.738 18297 5539 1 12 . 1 1 25 25 ASN H H 370 8.149 8.149 8.502 -0.353 18297 5540 1 12 . 1 1 26 26 SER N N 371 116.888 116.888 117.661 -0.773 18297 5541 1 12 . 1 1 26 26 SER HA H 371 4.375 4.375 4.422 -0.047 18297 5542 1 12 . 1 1 26 26 SER C C 371 176.257 176.257 175.023 1.234 18297 5543 1 12 . 1 1 26 26 SER CA C 371 59.603 59.603 61.521 -1.918 18297 5544 1 12 . 1 1 26 26 SER CB C 371 63.792 63.792 63.465 0.327 18297 5545 1 12 . 1 1 26 26 SER H H 371 7.889 7.889 8.583 -0.694 18297 5546 1 12 . 1 1 27 27 ALA N N 372 128.743 128.743 121.520 7.223 18297 5547 1 12 . 1 1 27 27 ALA HA H 372 4.228 4.228 4.350 -0.122 18297 5548 1 12 . 1 1 27 27 ALA C C 372 178.538 178.538 179.809 -1.271 18297 5549 1 12 . 1 1 27 27 ALA CA C 372 54.491 54.491 54.514 -0.023 18297 5550 1 12 . 1 1 27 27 ALA CB C 372 18.772 18.772 18.745 0.027 18297 5551 1 12 . 1 1 27 27 ALA H H 372 8.836 8.836 8.057 0.779 18297 5552 1 12 . 1 1 28 28 SER N N 373 110.751 110.751 114.582 -3.831 18297 5553 1 12 . 1 1 28 28 SER HA H 373 4.426 4.426 4.363 0.063 18297 5554 1 12 . 1 1 28 28 SER C C 373 174.548 174.548 175.570 -1.022 18297 5555 1 12 . 1 1 28 28 SER CA C 373 59.415 59.415 60.686 -1.271 18297 5556 1 12 . 1 1 28 28 SER CB C 373 63.394 63.394 62.933 0.461 18297 5557 1 12 . 1 1 28 28 SER H H 373 8.069 8.069 8.414 -0.345 18297 5558 1 12 . 1 1 29 29 LEU N N 374 122.012 122.012 120.479 1.533 18297 5559 1 12 . 1 1 29 29 LEU HA H 374 4.465 4.465 4.502 -0.037 18297 5560 1 12 . 1 1 29 29 LEU C C 374 175.716 175.716 176.463 -0.747 18297 5561 1 12 . 1 1 29 29 LEU CA C 374 56.132 56.132 54.137 1.995 18297 5562 1 12 . 1 1 29 29 LEU CB C 374 44.295 44.295 41.650 2.645 18297 5563 1 12 . 1 1 29 29 LEU H H 374 7.547 7.547 7.804 -0.257 18297 5564 1 12 . 1 1 30 30 GLN N N 375 116.052 116.052 118.198 -2.146 18297 5565 1 12 . 1 1 30 30 GLN HA H 375 4.003 4.003 4.069 -0.066 18297 5566 1 12 . 1 1 30 30 GLN C C 375 175.498 175.498 178.077 -2.579 18297 5567 1 12 . 1 1 30 30 GLN CA C 375 56.434 56.434 58.593 -2.159 18297 5568 1 12 . 1 1 30 30 GLN CB C 375 27.948 27.948 28.937 -0.989 18297 5569 1 12 . 1 1 30 30 GLN H H 375 8.060 8.060 7.562 0.498 18297 5570 1 12 . 1 1 31 31 MET N N 376 117.691 117.691 111.832 5.859 18297 5571 1 12 . 1 1 31 31 MET HA H 376 4.283 4.283 4.772 -0.489 18297 5572 1 12 . 1 1 31 31 MET C C 376 175.843 175.843 176.863 -1.020 18297 5573 1 12 . 1 1 31 31 MET CA C 376 57.728 57.728 56.897 0.831 18297 5574 1 12 . 1 1 31 31 MET CB C 376 33.451 33.451 33.277 0.174 18297 5575 1 12 . 1 1 31 31 MET H H 376 8.211 8.211 7.848 0.363 18297 5576 1 12 . 1 1 32 32 LYS N N 377 122.028 122.028 120.688 1.340 18297 5577 1 12 . 1 1 32 32 LYS HA H 377 4.414 4.414 4.286 0.128 18297 5578 1 12 . 1 1 32 32 LYS C C 377 177.837 177.837 176.265 1.572 18297 5579 1 12 . 1 1 32 32 LYS CA C 377 58.052 58.052 56.351 1.701 18297 5580 1 12 . 1 1 32 32 LYS CB C 377 34.994 34.994 32.185 2.809 18297 5581 1 12 . 1 1 32 32 LYS H H 377 9.461 9.461 8.408 1.053 18297 5582 1 12 . 1 1 33 33 SER N N 378 115.056 115.056 114.934 0.122 18297 5583 1 12 . 1 1 33 33 SER HA H 378 4.650 4.650 4.542 0.108 18297 5584 1 12 . 1 1 33 33 SER C C 378 172.026 172.026 173.116 -1.090 18297 5585 1 12 . 1 1 33 33 SER CA C 378 55.038 55.038 56.388 -1.350 18297 5586 1 12 . 1 1 33 33 SER CB C 378 62.908 62.908 63.262 -0.354 18297 5587 1 12 . 1 1 33 33 SER H H 378 10.101 10.101 7.889 2.212 18297 5588 1 12 . 1 1 34 34 PRO HA H 379 5.043 5.043 4.279 0.764 18297 5589 1 12 . 1 1 34 34 PRO C C 379 175.422 175.422 174.912 0.510 18297 5590 1 12 . 1 1 34 34 PRO CA C 379 63.792 63.792 62.974 0.818 18297 5591 1 12 . 1 1 34 34 PRO CB C 379 33.703 33.703 32.284 1.419 18297 5592 1 12 . 1 1 35 35 ALA N N 380 121.498 121.498 123.242 -1.744 18297 5593 1 12 . 1 1 35 35 ALA HA H 380 5.137 5.137 4.166 0.971 18297 5594 1 12 . 1 1 35 35 ALA C C 380 177.313 177.313 175.683 1.630 18297 5595 1 12 . 1 1 35 35 ALA CA C 380 50.661 50.661 50.522 0.139 18297 5596 1 12 . 1 1 35 35 ALA CB C 380 22.118 22.118 21.485 0.633 18297 5597 1 12 . 1 1 35 35 ALA H H 380 8.894 8.894 8.678 0.216 18297 5598 1 12 . 1 1 36 36 ILE N N 381 120.470 120.470 125.344 -4.874 18297 5599 1 12 . 1 1 36 36 ILE HA H 381 4.967 4.967 4.477 0.490 18297 5600 1 12 . 1 1 36 36 ILE C C 381 175.314 175.314 175.401 -0.087 18297 5601 1 12 . 1 1 36 36 ILE CA C 381 61.056 61.056 60.410 0.646 18297 5602 1 12 . 1 1 36 36 ILE CB C 381 41.364 41.364 39.705 1.659 18297 5603 1 12 . 1 1 36 36 ILE H H 381 9.038 9.038 8.811 0.227 18297 5604 1 12 . 1 1 37 37 THR N N 382 123.297 123.297 124.103 -0.806 18297 5605 1 12 . 1 1 37 37 THR HA H 382 5.252 5.252 4.930 0.322 18297 5606 1 12 . 1 1 37 37 THR C C 382 172.289 172.289 172.403 -0.114 18297 5607 1 12 . 1 1 37 37 THR CA C 382 60.977 60.977 61.324 -0.346 18297 5608 1 12 . 1 1 37 37 THR CB C 382 71.919 71.919 71.673 0.246 18297 5609 1 12 . 1 1 37 37 THR H H 382 9.363 9.363 8.385 0.978 18297 5610 1 12 . 1 1 38 38 ALA N N 383 123.340 123.340 128.115 -4.775 18297 5611 1 12 . 1 1 38 38 ALA HA H 383 4.935 4.935 5.011 -0.076 18297 5612 1 12 . 1 1 38 38 ALA C C 383 175.743 175.743 175.620 0.123 18297 5613 1 12 . 1 1 38 38 ALA CA C 383 51.147 51.147 50.770 0.377 18297 5614 1 12 . 1 1 38 38 ALA CB C 383 22.758 22.758 22.509 0.249 18297 5615 1 12 . 1 1 38 38 ALA H H 383 8.896 8.896 9.045 -0.149 18297 5616 1 12 . 1 1 39 39 THR N N 384 118.815 118.815 115.876 2.939 18297 5617 1 12 . 1 1 39 39 THR HA H 384 4.892 4.892 5.303 -0.411 18297 5618 1 12 . 1 1 39 39 THR C C 384 174.098 174.098 174.027 0.071 18297 5619 1 12 . 1 1 39 39 THR CA C 384 62.310 62.310 60.615 1.695 18297 5620 1 12 . 1 1 39 39 THR CB C 384 69.263 69.263 69.742 -0.479 18297 5621 1 12 . 1 1 39 39 THR H H 384 8.968 8.968 8.462 0.506 18297 5622 1 12 . 1 1 40 40 LEU N N 385 128.711 128.711 127.219 1.492 18297 5623 1 12 . 1 1 40 40 LEU HA H 385 4.791 4.791 4.701 0.090 18297 5624 1 12 . 1 1 40 40 LEU C C 385 176.479 176.479 176.135 0.344 18297 5625 1 12 . 1 1 40 40 LEU CA C 385 53.944 53.944 54.207 -0.263 18297 5626 1 12 . 1 1 40 40 LEU CB C 385 44.966 44.966 44.257 0.709 18297 5627 1 12 . 1 1 40 40 LEU H H 385 8.667 8.667 9.021 -0.354 18297 5628 1 12 . 1 1 41 41 GLU N N 386 124.470 124.470 126.438 -1.968 18297 5629 1 12 . 1 1 41 41 GLU HA H 386 3.936 3.936 3.933 0.003 18297 5630 1 12 . 1 1 41 41 GLU C C 386 176.878 176.878 176.235 0.643 18297 5631 1 12 . 1 1 41 41 GLU CA C 386 57.226 57.226 56.670 0.556 18297 5632 1 12 . 1 1 41 41 GLU CB C 386 27.735 27.735 28.168 -0.433 18297 5633 1 12 . 1 1 41 41 GLU H H 386 9.547 9.547 9.378 0.169 18297 5634 1 12 . 1 1 42 42 GLY N N 387 104.068 104.068 103.918 0.150 18297 5635 1 12 . 1 1 42 42 GLY C C 387 173.993 173.993 173.681 0.312 18297 5636 1 12 . 1 1 42 42 GLY CA C 387 45.596 45.596 44.959 0.638 18297 5637 1 12 . 1 1 42 42 GLY H H 387 8.578 8.578 8.297 0.281 18297 5638 1 12 . 1 1 43 43 LYS N N 388 120.422 120.422 121.854 -1.432 18297 5639 1 12 . 1 1 43 43 LYS HA H 388 4.701 4.701 4.610 0.091 18297 5640 1 12 . 1 1 43 43 LYS C C 388 175.054 175.054 174.692 0.362 18297 5641 1 12 . 1 1 43 43 LYS CA C 388 54.491 54.491 54.900 -0.409 18297 5642 1 12 . 1 1 43 43 LYS CB C 388 34.968 34.968 34.237 0.731 18297 5643 1 12 . 1 1 43 43 LYS H H 388 7.826 7.826 7.756 0.070 18297 5644 1 12 . 1 1 44 44 ASN N N 389 122.606 122.606 124.569 -1.963 18297 5645 1 12 . 1 1 44 44 ASN HA H 389 4.895 4.895 5.249 -0.354 18297 5646 1 12 . 1 1 44 44 ASN C C 389 174.905 174.905 174.722 0.183 18297 5647 1 12 . 1 1 44 44 ASN CA C 389 53.944 53.944 52.187 1.757 18297 5648 1 12 . 1 1 44 44 ASN CB C 389 39.229 39.229 39.375 -0.146 18297 5649 1 12 . 1 1 44 44 ASN H H 389 8.827 8.827 8.750 0.077 18297 5650 1 12 . 1 1 45 45 ARG N N 390 125.867 125.867 124.810 1.057 18297 5651 1 12 . 1 1 45 45 ARG HA H 390 4.756 4.756 4.596 0.160 18297 5652 1 12 . 1 1 45 45 ARG C C 390 175.224 175.224 175.127 0.097 18297 5653 1 12 . 1 1 45 45 ARG CA C 390 54.491 54.491 54.777 -0.286 18297 5654 1 12 . 1 1 45 45 ARG CB C 390 32.973 32.973 32.644 0.329 18297 5655 1 12 . 1 1 45 45 ARG H H 390 9.220 9.220 8.992 0.228 18297 5656 1 12 . 1 1 46 46 THR N N 391 122.574 122.574 121.396 1.178 18297 5657 1 12 . 1 1 46 46 THR HA H 391 4.289 4.289 4.346 -0.057 18297 5658 1 12 . 1 1 46 46 THR C C 391 174.010 174.010 174.351 -0.341 18297 5659 1 12 . 1 1 46 46 THR CA C 391 63.509 63.509 62.767 0.742 18297 5660 1 12 . 1 1 46 46 THR CB C 391 68.716 68.716 69.095 -0.379 18297 5661 1 12 . 1 1 46 46 THR H H 391 8.940 8.940 8.754 0.186 18297 5662 1 12 . 1 1 47 47 LEU N N 392 128.647 128.647 129.005 -0.358 18297 5663 1 12 . 1 1 47 47 LEU HA H 392 4.339 4.339 4.394 -0.055 18297 5664 1 12 . 1 1 47 47 LEU C C 392 176.670 176.670 176.747 -0.077 18297 5665 1 12 . 1 1 47 47 LEU CA C 392 56.132 56.132 55.820 0.312 18297 5666 1 12 . 1 1 47 47 LEU CB C 392 42.678 42.678 42.771 -0.093 18297 5667 1 12 . 1 1 47 47 LEU H H 392 9.096 9.096 8.709 0.387 18297 5668 1 12 . 1 1 48 48 TYR N N 393 113.514 113.514 118.964 -5.450 18297 5669 1 12 . 1 1 48 48 TYR HA H 393 4.618 4.618 4.322 0.296 18297 5670 1 12 . 1 1 48 48 TYR C C 393 173.455 173.455 176.183 -2.728 18297 5671 1 12 . 1 1 48 48 TYR CA C 393 59.415 59.415 60.037 -0.622 18297 5672 1 12 . 1 1 48 48 TYR CB C 393 41.384 41.384 39.987 1.397 18297 5673 1 12 . 1 1 48 48 TYR H H 393 7.562 7.562 7.765 -0.203 18297 5674 1 12 . 1 1 57 57 GLU N N 402 128.181 128.181 122.459 5.722 18297 5675 1 12 . 1 1 57 57 GLU H H 402 8.645 8.645 8.497 0.148 18297 5676 1 12 . 1 1 58 58 ARG N N 403 117.080 117.080 124.251 -7.171 18297 5677 1 12 . 1 1 58 58 ARG HA H 403 4.302 4.302 4.630 -0.328 18297 5678 1 12 . 1 1 58 58 ARG CA C 403 58.321 58.321 53.754 4.567 18297 5679 1 12 . 1 1 58 58 ARG CB C 403 31.165 31.165 31.584 -0.418 18297 5680 1 12 . 1 1 58 58 ARG H H 403 8.278 8.278 8.285 -0.007 18297 5681 1 12 . 1 1 59 59 THR N N 404 108.390 108.390 116.739 -8.349 18297 5682 1 12 . 1 1 59 59 THR HA H 404 4.932 4.932 4.264 0.668 18297 5683 1 12 . 1 1 59 59 THR H H 404 8.301 8.301 8.469 -0.168 18297 5684 1 12 . 1 1 60 60 ARG N N 405 126.639 126.639 117.812 8.827 18297 5685 1 12 . 1 1 60 60 ARG H H 405 8.549 8.549 7.599 0.950 18297 5686 1 12 . 1 1 61 61 PRO HA H 406 4.431 4.431 4.307 0.124 18297 5687 1 12 . 1 1 61 61 PRO C C 406 178.434 178.434 177.538 0.896 18297 5688 1 12 . 1 1 61 61 PRO CA C 406 65.980 65.980 65.567 0.413 18297 5689 1 12 . 1 1 61 61 PRO CB C 406 31.348 31.348 31.738 -0.390 18297 5690 1 12 . 1 1 62 62 ASN N N 407 114.574 114.574 115.125 -0.551 18297 5691 1 12 . 1 1 62 62 ASN HA H 407 4.390 4.390 4.426 -0.036 18297 5692 1 12 . 1 1 62 62 ASN C C 407 177.863 177.863 177.265 0.598 18297 5693 1 12 . 1 1 62 62 ASN CA C 407 55.308 55.308 55.746 -0.438 18297 5694 1 12 . 1 1 62 62 ASN CB C 407 37.530 37.530 37.580 -0.050 18297 5695 1 12 . 1 1 62 62 ASN H H 407 8.481 8.481 8.586 -0.105 18297 5696 1 12 . 1 1 63 63 LEU N N 408 115.667 115.667 118.797 -3.130 18297 5697 1 12 . 1 1 63 63 LEU HA H 408 3.861 3.861 4.094 -0.233 18297 5698 1 12 . 1 1 63 63 LEU C C 408 177.708 177.708 178.969 -1.261 18297 5699 1 12 . 1 1 63 63 LEU CA C 408 57.667 57.667 57.321 0.346 18297 5700 1 12 . 1 1 63 63 LEU CB C 408 41.706 41.706 41.768 -0.062 18297 5701 1 12 . 1 1 63 63 LEU H H 408 8.022 8.022 7.992 0.030 18297 5702 1 12 . 1 1 64 64 SER N N 409 109.209 109.209 113.398 -4.189 18297 5703 1 12 . 1 1 64 64 SER HA H 409 4.588 4.588 4.357 0.231 18297 5704 1 12 . 1 1 64 64 SER C C 409 173.870 173.870 174.383 -0.513 18297 5705 1 12 . 1 1 64 64 SER CA C 409 58.321 58.321 60.326 -2.005 18297 5706 1 12 . 1 1 64 64 SER CB C 409 63.855 63.855 63.355 0.500 18297 5707 1 12 . 1 1 64 64 SER H H 409 7.232 7.232 7.874 -0.642 18297 5708 1 12 . 1 1 65 65 LYS N N 410 122.735 122.735 121.329 1.406 18297 5709 1 12 . 1 1 65 65 LYS HA H 410 4.609 4.609 4.586 0.023 18297 5710 1 12 . 1 1 65 65 LYS C C 410 175.946 175.946 175.708 0.238 18297 5711 1 12 . 1 1 65 65 LYS CA C 410 55.463 55.463 54.794 0.669 18297 5712 1 12 . 1 1 65 65 LYS CB C 410 34.422 34.422 33.736 0.686 18297 5713 1 12 . 1 1 65 65 LYS H H 410 7.543 7.543 7.413 0.130 18297 5714 1 12 . 1 1 66 66 THR N N 411 110.944 110.944 110.455 0.489 18297 5715 1 12 . 1 1 66 66 THR HA H 411 5.003 5.003 4.757 0.246 18297 5716 1 12 . 1 1 66 66 THR C C 411 176.038 176.038 176.424 -0.386 18297 5717 1 12 . 1 1 66 66 THR CA C 411 60.221 60.221 60.493 -0.272 18297 5718 1 12 . 1 1 66 66 THR CB C 411 70.956 70.956 70.983 -0.027 18297 5719 1 12 . 1 1 66 66 THR H H 411 8.980 8.980 7.991 0.989 18297 5720 1 12 . 1 1 67 67 LEU N N 412 118.076 118.076 121.067 -2.991 18297 5721 1 12 . 1 1 67 67 LEU HA H 412 3.961 3.961 4.001 -0.040 18297 5722 1 12 . 1 1 67 67 LEU C C 412 179.227 179.227 178.755 0.472 18297 5723 1 12 . 1 1 67 67 LEU CA C 412 58.321 58.321 58.682 -0.361 18297 5724 1 12 . 1 1 67 67 LEU CB C 412 39.914 39.914 41.461 -1.547 18297 5725 1 12 . 1 1 67 67 LEU H H 412 8.434 8.434 9.096 -0.662 18297 5726 1 12 . 1 1 68 68 LYS N N 413 116.373 116.373 119.739 -3.366 18297 5727 1 12 . 1 1 68 68 LYS HA H 413 4.285 4.285 3.894 0.391 18297 5728 1 12 . 1 1 68 68 LYS C C 413 181.338 181.338 179.650 1.688 18297 5729 1 12 . 1 1 68 68 LYS CA C 413 58.868 58.868 59.329 -0.461 18297 5730 1 12 . 1 1 68 68 LYS CB C 413 32.606 32.606 32.211 0.395 18297 5731 1 12 . 1 1 68 68 LYS H H 413 8.171 8.171 7.667 0.504 18297 5732 1 12 . 1 1 69 69 GLU N N 414 123.731 123.731 119.427 4.304 18297 5733 1 12 . 1 1 69 69 GLU HA H 414 4.072 4.072 4.064 0.008 18297 5734 1 12 . 1 1 69 69 GLU C C 414 179.202 179.202 178.905 0.297 18297 5735 1 12 . 1 1 69 69 GLU CA C 414 58.868 58.868 58.627 0.241 18297 5736 1 12 . 1 1 69 69 GLU CB C 414 29.566 29.566 29.319 0.247 18297 5737 1 12 . 1 1 69 69 GLU H H 414 8.326 8.326 7.652 0.674 18297 5738 1 12 . 1 1 70 70 LEU N N 415 119.008 119.008 116.155 2.853 18297 5739 1 12 . 1 1 70 70 LEU HA H 415 4.218 4.218 4.148 0.070 18297 5740 1 12 . 1 1 70 70 LEU C C 415 176.505 176.505 177.345 -0.840 18297 5741 1 12 . 1 1 70 70 LEU CA C 415 55.822 55.822 55.364 0.458 18297 5742 1 12 . 1 1 70 70 LEU CB C 415 43.012 43.012 42.221 0.791 18297 5743 1 12 . 1 1 70 70 LEU H H 415 7.993 7.993 7.806 0.187 18297 5744 1 12 . 1 1 71 71 GLY N N 416 105.578 105.578 105.948 -0.370 18297 5745 1 12 . 1 1 71 71 GLY C C 416 174.505 174.505 174.379 0.126 18297 5746 1 12 . 1 1 71 71 GLY CA C 416 45.191 45.191 45.322 -0.131 18297 5747 1 12 . 1 1 71 71 GLY H H 416 7.880 7.880 7.581 0.299 18297 5748 1 12 . 1 1 72 72 LEU N N 417 119.201 119.201 122.000 -2.799 18297 5749 1 12 . 1 1 72 72 LEU HA H 417 4.599 4.599 4.703 -0.104 18297 5750 1 12 . 1 1 72 72 LEU C C 417 176.208 176.208 175.339 0.869 18297 5751 1 12 . 1 1 72 72 LEU CA C 417 54.815 54.815 54.675 0.140 18297 5752 1 12 . 1 1 72 72 LEU CB C 417 41.867 41.867 43.411 -1.544 18297 5753 1 12 . 1 1 72 72 LEU H H 417 7.466 7.466 7.842 -0.376 18297 5754 1 12 . 1 1 73 73 VAL N N 418 112.871 112.871 118.979 -6.108 18297 5755 1 12 . 1 1 73 73 VAL HA H 418 4.782 4.782 4.689 0.093 18297 5756 1 12 . 1 1 73 73 VAL C C 418 174.804 174.804 174.708 0.096 18297 5757 1 12 . 1 1 73 73 VAL CA C 418 59.070 59.070 59.124 -0.054 18297 5758 1 12 . 1 1 73 73 VAL CB C 418 35.557 35.557 35.073 0.484 18297 5759 1 12 . 1 1 73 73 VAL H H 418 8.003 8.003 7.932 0.071 18297 5760 1 12 . 1 1 74 74 ASP N N 419 119.972 119.972 121.843 -1.871 18297 5761 1 12 . 1 1 74 74 ASP HA H 419 3.593 3.593 4.617 -1.024 18297 5762 1 12 . 1 1 74 74 ASP C C 419 177.545 177.545 177.348 0.197 18297 5763 1 12 . 1 1 74 74 ASP CA C 419 56.419 56.419 56.013 0.406 18297 5764 1 12 . 1 1 74 74 ASP CB C 419 42.035 42.035 41.183 0.852 18297 5765 1 12 . 1 1 74 74 ASP H H 419 8.250 8.250 8.705 -0.455 18297 5766 1 12 . 1 1 75 75 GLY N N 420 116.020 116.020 113.705 2.315 18297 5767 1 12 . 1 1 75 75 GLY C C 420 173.763 173.763 174.053 -0.290 18297 5768 1 12 . 1 1 75 75 GLY CA C 420 45.354 45.354 44.686 0.668 18297 5769 1 12 . 1 1 75 75 GLY H H 420 8.704 8.704 8.392 0.312 18297 5770 1 12 . 1 1 76 76 GLN N N 421 121.514 121.514 121.558 -0.044 18297 5771 1 12 . 1 1 76 76 GLN HA H 421 4.048 4.048 4.244 -0.196 18297 5772 1 12 . 1 1 76 76 GLN C C 421 175.023 175.023 174.918 0.105 18297 5773 1 12 . 1 1 76 76 GLN CA C 421 56.709 56.709 55.633 1.077 18297 5774 1 12 . 1 1 76 76 GLN CB C 421 29.511 29.511 29.680 -0.169 18297 5775 1 12 . 1 1 76 76 GLN H H 421 7.867 7.867 7.586 0.281 18297 5776 1 12 . 1 1 77 77 GLU N N 422 123.859 123.859 125.966 -2.107 18297 5777 1 12 . 1 1 77 77 GLU HA H 422 5.186 5.186 5.015 0.171 18297 5778 1 12 . 1 1 77 77 GLU C C 422 176.877 176.877 175.701 1.176 18297 5779 1 12 . 1 1 77 77 GLU CA C 422 55.786 55.786 55.085 0.701 18297 5780 1 12 . 1 1 77 77 GLU CB C 422 31.509 31.509 31.340 0.169 18297 5781 1 12 . 1 1 77 77 GLU H H 422 8.568 8.568 8.536 0.032 18297 5782 1 12 . 1 1 78 78 LEU N N 423 125.867 125.867 127.510 -1.643 18297 5783 1 12 . 1 1 78 78 LEU HA H 423 5.080 5.080 4.536 0.544 18297 5784 1 12 . 1 1 78 78 LEU C C 423 174.470 174.470 175.551 -1.081 18297 5785 1 12 . 1 1 78 78 LEU CA C 423 53.686 53.686 54.056 -0.370 18297 5786 1 12 . 1 1 78 78 LEU CB C 423 44.966 44.966 43.792 1.174 18297 5787 1 12 . 1 1 78 78 LEU H H 423 9.313 9.313 9.224 0.089 18297 5788 1 12 . 1 1 79 79 ALA N N 424 126.044 126.044 126.094 -0.050 18297 5789 1 12 . 1 1 79 79 ALA HA H 424 5.206 5.206 5.043 0.163 18297 5790 1 12 . 1 1 79 79 ALA C C 424 176.786 176.786 175.733 1.053 18297 5791 1 12 . 1 1 79 79 ALA CA C 424 51.049 51.049 50.518 0.531 18297 5792 1 12 . 1 1 79 79 ALA CB C 424 20.453 20.453 20.160 0.293 18297 5793 1 12 . 1 1 79 79 ALA H H 424 8.918 8.918 8.378 0.540 18297 5794 1 12 . 1 1 80 80 VAL N N 425 124.759 124.759 120.682 4.077 18297 5795 1 12 . 1 1 80 80 VAL HA H 425 5.344 5.344 5.435 -0.091 18297 5796 1 12 . 1 1 80 80 VAL C C 425 173.757 173.757 174.058 -0.301 18297 5797 1 12 . 1 1 80 80 VAL CA C 425 60.886 60.886 59.430 1.456 18297 5798 1 12 . 1 1 80 80 VAL CB C 425 34.908 34.908 34.736 0.172 18297 5799 1 12 . 1 1 80 80 VAL H H 425 9.357 9.357 8.804 0.553 18297 5800 1 12 . 1 1 81 81 ALA N N 426 129.353 129.353 126.750 2.603 18297 5801 1 12 . 1 1 81 81 ALA HA H 426 5.045 5.045 5.203 -0.158 18297 5802 1 12 . 1 1 81 81 ALA C C 426 175.938 175.938 175.428 0.510 18297 5803 1 12 . 1 1 81 81 ALA CA C 426 50.133 50.133 49.593 0.540 18297 5804 1 12 . 1 1 81 81 ALA CB C 426 22.758 22.758 22.684 0.074 18297 5805 1 12 . 1 1 81 81 ALA H H 426 8.502 8.502 8.750 -0.248 18297 5806 1 12 . 1 1 82 82 ASP N N 427 120.165 120.165 121.454 -1.289 18297 5807 1 12 . 1 1 82 82 ASP HA H 427 5.100 5.100 4.974 0.126 18297 5808 1 12 . 1 1 82 82 ASP C C 427 176.669 176.669 176.244 0.425 18297 5809 1 12 . 1 1 82 82 ASP CA C 427 54.491 54.491 52.450 2.041 18297 5810 1 12 . 1 1 82 82 ASP CB C 427 46.891 46.891 44.565 2.326 18297 5811 1 12 . 1 1 82 82 ASP H H 427 8.906 8.906 8.115 0.791 18297 5812 1 12 . 1 1 83 83 VAL N N 428 119.201 119.201 116.857 2.344 18297 5813 1 12 . 1 1 83 83 VAL HA H 428 4.153 4.153 4.221 -0.068 18297 5814 1 12 . 1 1 83 83 VAL C C 428 177.085 177.085 176.830 0.255 18297 5815 1 12 . 1 1 83 83 VAL CA C 428 63.992 63.992 64.297 -0.305 18297 5816 1 12 . 1 1 83 83 VAL CB C 428 31.772 31.772 31.702 0.070 18297 5817 1 12 . 1 1 83 83 VAL H H 428 8.114 8.114 8.603 -0.489 18297 5818 1 12 . 1 1 84 84 THR N N 429 110.173 110.173 111.536 -1.363 18297 5819 1 12 . 1 1 84 84 THR HA H 429 4.235 4.235 4.510 -0.275 18297 5820 1 12 . 1 1 84 84 THR C C 429 174.905 174.905 175.036 -0.131 18297 5821 1 12 . 1 1 84 84 THR CA C 429 63.533 63.533 62.590 0.943 18297 5822 1 12 . 1 1 84 84 THR CB C 429 70.613 70.613 69.646 0.967 18297 5823 1 12 . 1 1 84 84 THR H H 429 7.899 7.899 8.836 -0.937 18297 5824 1 12 . 1 1 85 85 THR N N 430 116.438 116.438 119.317 -2.879 18297 5825 1 12 . 1 1 85 85 THR HA H 430 5.132 5.132 4.780 0.352 18297 5826 1 12 . 1 1 85 85 THR C C 430 173.160 173.160 172.302 0.858 18297 5827 1 12 . 1 1 85 85 THR CA C 430 57.863 57.863 59.531 -1.668 18297 5828 1 12 . 1 1 85 85 THR CB C 430 71.050 71.050 70.974 0.076 18297 5829 1 12 . 1 1 85 85 THR H H 430 7.810 7.810 8.232 -0.422 18297 5830 1 12 . 1 1 86 86 PRO HA H 431 4.582 4.582 4.517 0.065 18297 5831 1 12 . 1 1 86 86 PRO CA C 431 64.086 64.086 62.932 1.154 18297 5832 1 12 . 1 1 86 86 PRO CB C 431 31.995 31.995 32.005 -0.010 18297 5833 1 12 . 1 1 87 87 GLN N N 432 117.241 117.241 119.180 -1.939 18297 5834 1 12 . 1 1 87 87 GLN HA H 432 4.618 4.618 4.452 0.166 18297 5835 1 12 . 1 1 87 87 GLN C C 432 175.653 175.653 175.368 0.285 18297 5836 1 12 . 1 1 87 87 GLN CA C 432 54.491 54.491 54.948 -0.457 18297 5837 1 12 . 1 1 87 87 GLN CB C 432 30.799 30.799 30.565 0.234 18297 5838 1 12 . 1 1 87 87 GLN H H 432 7.786 7.786 7.734 0.052 18297 5839 1 12 . 1 1 88 88 THR N N 433 119.651 119.651 117.999 1.652 18297 5840 1 12 . 1 1 88 88 THR HA H 433 4.440 4.440 5.077 -0.637 18297 5841 1 12 . 1 1 88 88 THR C C 433 173.939 173.939 174.111 -0.172 18297 5842 1 12 . 1 1 88 88 THR CA C 433 63.792 63.792 61.747 2.045 18297 5843 1 12 . 1 1 88 88 THR CB C 433 70.357 70.357 69.508 0.849 18297 5844 1 12 . 1 1 88 88 THR H H 433 8.460 8.460 8.348 0.112 18297 5845 1 12 . 1 1 89 89 VAL N N 434 128.068 128.068 127.462 0.606 18297 5846 1 12 . 1 1 89 89 VAL HA H 434 4.153 4.153 4.271 -0.118 18297 5847 1 12 . 1 1 89 89 VAL C C 434 174.083 174.083 174.228 -0.145 18297 5848 1 12 . 1 1 89 89 VAL CA C 434 61.827 61.827 60.914 0.912 18297 5849 1 12 . 1 1 89 89 VAL CB C 434 33.937 33.937 34.082 -0.145 18297 5850 1 12 . 1 1 89 89 VAL H H 434 9.275 9.275 9.123 0.152 18297 5851 1 12 . 1 1 90 90 LEU N N 435 125.755 125.755 125.375 0.380 18297 5852 1 12 . 1 1 90 90 LEU HA H 435 5.304 5.304 5.402 -0.098 18297 5853 1 12 . 1 1 90 90 LEU C C 435 176.455 176.455 175.968 0.487 18297 5854 1 12 . 1 1 90 90 LEU CA C 435 53.396 53.396 53.129 0.267 18297 5855 1 12 . 1 1 90 90 LEU CB C 435 44.023 44.023 42.693 1.330 18297 5856 1 12 . 1 1 90 90 LEU H H 435 8.169 8.169 8.556 -0.387 18297 5857 1 12 . 1 1 91 91 PHE N N 436 120.743 120.743 122.878 -2.135 18297 5858 1 12 . 1 1 91 91 PHE HA H 436 5.314 5.314 5.543 -0.229 18297 5859 1 12 . 1 1 91 91 PHE C C 436 174.788 174.788 175.030 -0.242 18297 5860 1 12 . 1 1 91 91 PHE CA C 436 56.327 56.327 56.381 -0.054 18297 5861 1 12 . 1 1 91 91 PHE CB C 436 43.330 43.330 43.309 0.021 18297 5862 1 12 . 1 1 91 91 PHE H H 436 9.222 9.222 9.294 -0.072 18297 5863 1 12 . 1 1 92 92 LYS N N 437 123.120 123.120 122.731 0.389 18297 5864 1 12 . 1 1 92 92 LYS HA H 437 4.708 4.708 5.280 -0.572 18297 5865 1 12 . 1 1 92 92 LYS C C 437 174.606 174.606 174.897 -0.291 18297 5866 1 12 . 1 1 92 92 LYS CA C 437 55.139 55.139 55.233 -0.094 18297 5867 1 12 . 1 1 92 92 LYS CB C 437 34.269 34.269 35.228 -0.959 18297 5868 1 12 . 1 1 92 92 LYS H H 437 8.908 8.908 9.311 -0.403 18297 5869 1 12 . 1 1 93 93 LEU N N 438 128.422 128.422 125.671 2.751 18297 5870 1 12 . 1 1 93 93 LEU HA H 438 4.480 4.480 4.983 -0.503 18297 5871 1 12 . 1 1 93 93 LEU C C 438 175.327 175.327 174.632 0.695 18297 5872 1 12 . 1 1 93 93 LEU CA C 438 55.139 55.139 53.213 1.926 18297 5873 1 12 . 1 1 93 93 LEU CB C 438 43.976 43.976 43.533 0.443 18297 5874 1 12 . 1 1 93 93 LEU H H 438 8.755 8.755 8.564 0.191 18297 5875 1 12 . 1 1 94 94 HIS N N 439 123.859 123.859 125.695 -1.836 18297 5876 1 12 . 1 1 94 94 HIS HA H 439 5.180 5.180 5.140 0.040 18297 5877 1 12 . 1 1 94 94 HIS C C 439 174.297 174.297 174.105 0.192 18297 5878 1 12 . 1 1 94 94 HIS CA C 439 53.396 53.396 53.897 -0.501 18297 5879 1 12 . 1 1 94 94 HIS CB C 439 30.786 30.786 32.791 -2.005 18297 5880 1 12 . 1 1 94 94 HIS H H 439 8.891 8.891 9.028 -0.137 18297 5881 1 12 . 1 1 95 95 PHE N N 440 123.544 123.544 124.296 -0.752 18297 5882 1 12 . 1 1 95 95 PHE HA H 440 6.231 6.231 5.822 0.409 18297 5883 1 12 . 1 1 95 95 PHE C C 440 178.229 178.229 176.664 1.565 18297 5884 1 12 . 1 1 95 95 PHE CA C 440 53.690 53.690 57.299 -3.609 18297 5885 1 12 . 1 1 95 95 PHE CB C 440 39.477 39.477 40.336 -0.859 18297 5886 1 12 . 1 1 95 95 PHE H H 440 8.896 8.896 8.600 0.296 18297 5887 1 12 . 1 1 96 96 THR N N 441 114.382 114.382 119.658 -5.276 18297 5888 1 12 . 1 1 96 96 THR HA H 441 4.617 4.617 4.649 -0.031 18297 5889 1 12 . 1 1 96 96 THR C C 441 173.867 173.867 173.942 -0.075 18297 5890 1 12 . 1 1 96 96 THR CA C 441 61.327 61.327 60.620 0.708 18297 5891 1 12 . 1 1 96 96 THR CB C 441 69.561 69.561 70.374 -0.813 18297 5892 1 12 . 1 1 96 96 THR H H 441 7.973 7.973 8.689 -0.716 18297 5893 1 13 . 1 1 2 2 SER HA H 347 4.570 4.570 4.753 -0.183 18297 5894 1 13 . 1 1 2 2 SER C C 347 174.335 174.335 174.985 -0.650 18297 5895 1 13 . 1 1 2 2 SER CA C 347 58.350 58.350 57.637 0.713 18297 5896 1 13 . 1 1 2 2 SER CB C 347 63.999 63.999 65.521 -1.522 18297 5897 1 13 . 1 1 3 3 GLN N N 348 122.478 122.478 121.810 0.668 18297 5898 1 13 . 1 1 3 3 GLN HA H 348 4.430 4.430 4.395 0.035 18297 5899 1 13 . 1 1 3 3 GLN C C 348 175.651 175.651 175.541 0.110 18297 5900 1 13 . 1 1 3 3 GLN CA C 348 55.743 55.743 56.338 -0.595 18297 5901 1 13 . 1 1 3 3 GLN CB C 348 29.750 29.750 28.861 0.889 18297 5902 1 13 . 1 1 3 3 GLN H H 348 8.532 8.532 8.606 -0.074 18297 5903 1 13 . 1 1 4 4 LEU N N 349 125.369 125.369 123.647 1.722 18297 5904 1 13 . 1 1 4 4 LEU HA H 349 4.634 4.634 4.665 -0.031 18297 5905 1 13 . 1 1 4 4 LEU C C 349 175.324 175.324 174.956 0.368 18297 5906 1 13 . 1 1 4 4 LEU CA C 349 53.197 53.197 52.650 0.547 18297 5907 1 13 . 1 1 4 4 LEU CB C 349 41.867 41.867 41.428 0.438 18297 5908 1 13 . 1 1 4 4 LEU H H 349 8.403 8.403 7.671 0.732 18297 5909 1 13 . 1 1 5 5 PRO HA H 350 4.360 4.360 4.560 -0.200 18297 5910 1 13 . 1 1 5 5 PRO C C 350 176.639 176.639 176.069 0.570 18297 5911 1 13 . 1 1 5 5 PRO CA C 350 62.748 62.748 62.191 0.557 18297 5912 1 13 . 1 1 5 5 PRO CB C 350 32.319 32.319 32.390 -0.071 18297 5913 1 13 . 1 1 6 6 GLN N N 351 121.707 121.707 122.626 -0.919 18297 5914 1 13 . 1 1 6 6 GLN HA H 351 4.428 4.428 4.492 -0.064 18297 5915 1 13 . 1 1 6 6 GLN C C 351 175.898 175.898 175.798 0.100 18297 5916 1 13 . 1 1 6 6 GLN CA C 351 55.678 55.678 55.660 0.018 18297 5917 1 13 . 1 1 6 6 GLN CB C 351 30.054 30.054 29.793 0.261 18297 5918 1 13 . 1 1 6 6 GLN H H 351 8.255 8.255 8.827 -0.572 18297 5919 1 13 . 1 1 7 7 ASN N N 352 123.275 123.275 120.632 2.643 18297 5920 1 13 . 1 1 7 7 ASN HA H 352 5.470 5.470 5.536 -0.066 18297 5921 1 13 . 1 1 7 7 ASN C C 352 175.324 175.324 174.533 0.791 18297 5922 1 13 . 1 1 7 7 ASN CA C 352 54.009 54.009 52.259 1.750 18297 5923 1 13 . 1 1 7 7 ASN CB C 352 40.414 40.414 40.227 0.187 18297 5924 1 13 . 1 1 7 7 ASN H H 352 8.860 8.860 8.618 0.242 18297 5925 1 13 . 1 1 8 8 ILE N N 353 119.104 119.104 115.669 3.435 18297 5926 1 13 . 1 1 8 8 ILE HA H 353 4.625 4.625 4.581 0.044 18297 5927 1 13 . 1 1 8 8 ILE C C 353 173.669 173.669 173.676 -0.007 18297 5928 1 13 . 1 1 8 8 ILE CA C 353 60.201 60.201 59.711 0.490 18297 5929 1 13 . 1 1 8 8 ILE CB C 353 41.404 41.404 41.560 -0.156 18297 5930 1 13 . 1 1 8 8 ILE H H 353 8.808 8.808 8.678 0.130 18297 5931 1 13 . 1 1 9 9 GLN N N 354 122.671 122.671 124.536 -1.865 18297 5932 1 13 . 1 1 9 9 GLN HA H 354 5.586 5.586 5.307 0.279 18297 5933 1 13 . 1 1 9 9 GLN C C 354 174.274 174.274 174.243 0.031 18297 5934 1 13 . 1 1 9 9 GLN CA C 354 54.491 54.491 54.299 0.192 18297 5935 1 13 . 1 1 9 9 GLN CB C 354 31.120 31.120 31.812 -0.692 18297 5936 1 13 . 1 1 9 9 GLN H H 354 8.021 8.021 8.079 -0.058 18297 5937 1 13 . 1 1 10 10 PHE N N 355 120.679 120.679 124.711 -4.032 18297 5938 1 13 . 1 1 10 10 PHE HA H 355 4.635 4.635 4.713 -0.078 18297 5939 1 13 . 1 1 10 10 PHE C C 355 174.715 174.715 174.274 0.441 18297 5940 1 13 . 1 1 10 10 PHE CA C 355 57.226 57.226 56.818 0.408 18297 5941 1 13 . 1 1 10 10 PHE CB C 355 45.969 45.969 43.332 2.637 18297 5942 1 13 . 1 1 10 10 PHE H H 355 8.403 8.403 9.223 -0.820 18297 5943 1 13 . 1 1 11 11 SER N N 356 116.116 116.116 117.429 -1.313 18297 5944 1 13 . 1 1 11 11 SER HA H 356 5.020 5.020 4.992 0.028 18297 5945 1 13 . 1 1 11 11 SER C C 356 174.917 174.917 174.041 0.876 18297 5946 1 13 . 1 1 11 11 SER CA C 356 56.110 56.110 56.594 -0.484 18297 5947 1 13 . 1 1 11 11 SER CB C 356 63.879 63.879 63.245 0.634 18297 5948 1 13 . 1 1 11 11 SER H H 356 8.757 8.757 8.687 0.070 18297 5949 1 13 . 1 1 12 12 PRO HA H 357 3.776 3.776 4.401 -0.625 18297 5950 1 13 . 1 1 12 12 PRO C C 357 176.155 176.155 177.723 -1.568 18297 5951 1 13 . 1 1 12 12 PRO CA C 357 64.886 64.886 65.339 -0.453 18297 5952 1 13 . 1 1 12 12 PRO CB C 357 31.222 31.222 31.747 -0.525 18297 5953 1 13 . 1 1 13 13 SER N N 358 107.859 107.859 110.021 -2.162 18297 5954 1 13 . 1 1 13 13 SER HA H 358 4.388 4.388 4.435 -0.047 18297 5955 1 13 . 1 1 13 13 SER C C 358 173.972 173.972 174.564 -0.592 18297 5956 1 13 . 1 1 13 13 SER CA C 358 57.728 57.728 57.957 -0.229 18297 5957 1 13 . 1 1 13 13 SER CB C 358 63.879 63.879 62.859 1.020 18297 5958 1 13 . 1 1 13 13 SER H H 358 7.636 7.636 8.018 -0.382 18297 5959 1 13 . 1 1 14 14 ALA N N 359 126.012 126.012 125.235 0.777 18297 5960 1 13 . 1 1 14 14 ALA HA H 359 4.320 4.320 4.726 -0.406 18297 5961 1 13 . 1 1 14 14 ALA C C 359 177.288 177.288 176.393 0.895 18297 5962 1 13 . 1 1 14 14 ALA CA C 359 52.849 52.849 51.668 1.181 18297 5963 1 13 . 1 1 14 14 ALA CB C 359 19.372 19.372 20.575 -1.203 18297 5964 1 13 . 1 1 14 14 ALA H H 359 7.937 7.937 7.992 -0.055 18297 5965 1 13 . 1 1 15 15 LYS N N 360 119.699 119.699 121.902 -2.203 18297 5966 1 13 . 1 1 15 15 LYS HA H 360 4.751 4.751 4.798 -0.047 18297 5967 1 13 . 1 1 15 15 LYS C C 360 179.638 179.638 177.814 1.824 18297 5968 1 13 . 1 1 15 15 LYS CA C 360 54.815 54.815 55.257 -0.442 18297 5969 1 13 . 1 1 15 15 LYS CB C 360 33.127 33.127 33.497 -0.370 18297 5970 1 13 . 1 1 15 15 LYS H H 360 8.523 8.523 9.285 -0.762 18297 5971 1 13 . 1 1 16 16 LEU N N 361 123.297 123.297 123.575 -0.278 18297 5972 1 13 . 1 1 16 16 LEU HA H 361 3.828 3.828 3.845 -0.017 18297 5973 1 13 . 1 1 16 16 LEU C C 361 178.714 178.714 178.332 0.382 18297 5974 1 13 . 1 1 16 16 LEU CA C 361 58.321 58.321 58.034 0.287 18297 5975 1 13 . 1 1 16 16 LEU CB C 361 40.240 40.240 41.319 -1.079 18297 5976 1 13 . 1 1 16 16 LEU H H 361 8.383 8.383 8.405 -0.022 18297 5977 1 13 . 1 1 17 17 GLN N N 362 117.900 117.900 119.224 -1.324 18297 5978 1 13 . 1 1 17 17 GLN HA H 362 3.621 3.621 3.814 -0.193 18297 5979 1 13 . 1 1 17 17 GLN C C 362 176.370 176.370 178.212 -1.842 18297 5980 1 13 . 1 1 17 17 GLN CA C 362 58.547 58.547 59.220 -0.673 18297 5981 1 13 . 1 1 17 17 GLN CB C 362 29.442 29.442 27.836 1.606 18297 5982 1 13 . 1 1 17 17 GLN H H 362 8.766 8.766 8.012 0.754 18297 5983 1 13 . 1 1 18 18 GLU N N 363 116.341 116.341 119.472 -3.131 18297 5984 1 13 . 1 1 18 18 GLU HA H 363 4.201 4.201 4.122 0.079 18297 5985 1 13 . 1 1 18 18 GLU C C 363 180.135 180.135 179.372 0.763 18297 5986 1 13 . 1 1 18 18 GLU CA C 363 59.669 59.669 59.267 0.402 18297 5987 1 13 . 1 1 18 18 GLU CB C 363 29.870 29.870 29.198 0.672 18297 5988 1 13 . 1 1 18 18 GLU H H 363 7.783 7.783 8.364 -0.582 18297 5989 1 13 . 1 1 19 19 VAL N N 364 120.647 120.647 119.714 0.933 18297 5990 1 13 . 1 1 19 19 VAL HA H 364 3.421 3.421 3.245 0.176 18297 5991 1 13 . 1 1 19 19 VAL C C 364 177.380 177.380 177.872 -0.492 18297 5992 1 13 . 1 1 19 19 VAL CA C 364 65.433 65.433 66.055 -0.621 18297 5993 1 13 . 1 1 19 19 VAL CB C 364 30.964 30.964 31.170 -0.206 18297 5994 1 13 . 1 1 19 19 VAL H H 364 7.224 7.224 7.303 -0.079 18297 5995 1 13 . 1 1 20 20 LEU N N 365 120.743 120.743 120.583 0.160 18297 5996 1 13 . 1 1 20 20 LEU HA H 365 3.916 3.916 4.112 -0.196 18297 5997 1 13 . 1 1 20 20 LEU C C 365 178.974 178.974 177.992 0.982 18297 5998 1 13 . 1 1 20 20 LEU CA C 365 58.612 58.612 57.667 0.945 18297 5999 1 13 . 1 1 20 20 LEU CB C 365 41.425 41.425 41.680 -0.255 18297 6000 1 13 . 1 1 20 20 LEU H H 365 7.517 7.517 7.769 -0.252 18297 6001 1 13 . 1 1 21 21 ASP N N 366 119.329 119.329 118.819 0.510 18297 6002 1 13 . 1 1 21 21 ASP HA H 366 4.306 4.306 4.249 0.057 18297 6003 1 13 . 1 1 21 21 ASP C C 366 177.992 177.992 178.511 -0.519 18297 6004 1 13 . 1 1 21 21 ASP CA C 366 57.405 57.405 57.726 -0.321 18297 6005 1 13 . 1 1 21 21 ASP CB C 366 40.265 40.265 41.324 -1.059 18297 6006 1 13 . 1 1 21 21 ASP H H 366 8.805 8.805 8.016 0.789 18297 6007 1 13 . 1 1 22 22 TYR N N 367 121.643 121.643 120.194 1.449 18297 6008 1 13 . 1 1 22 22 TYR HA H 367 4.305 4.305 4.273 0.032 18297 6009 1 13 . 1 1 22 22 TYR C C 367 177.701 177.701 177.662 0.039 18297 6010 1 13 . 1 1 22 22 TYR CA C 367 61.777 61.777 60.483 1.294 18297 6011 1 13 . 1 1 22 22 TYR CB C 367 38.801 38.801 38.799 0.002 18297 6012 1 13 . 1 1 22 22 TYR H H 367 7.718 7.718 8.117 -0.399 18297 6013 1 13 . 1 1 23 23 LEU N N 368 118.414 118.414 119.234 -0.820 18297 6014 1 13 . 1 1 23 23 LEU HA H 368 3.910 3.910 4.056 -0.146 18297 6015 1 13 . 1 1 23 23 LEU C C 368 178.019 178.019 177.742 0.277 18297 6016 1 13 . 1 1 23 23 LEU CA C 368 57.773 57.773 57.564 0.209 18297 6017 1 13 . 1 1 23 23 LEU CB C 368 42.032 42.032 42.417 -0.385 18297 6018 1 13 . 1 1 23 23 LEU H H 368 8.060 8.060 7.750 0.310 18297 6019 1 13 . 1 1 24 24 THR N N 369 106.606 106.606 109.445 -2.839 18297 6020 1 13 . 1 1 24 24 THR HA H 369 4.507 4.507 4.341 0.166 18297 6021 1 13 . 1 1 24 24 THR C C 369 176.576 176.576 173.453 3.123 18297 6022 1 13 . 1 1 24 24 THR CA C 369 63.245 63.245 62.841 0.404 18297 6023 1 13 . 1 1 24 24 THR CB C 369 70.517 70.517 70.142 0.375 18297 6024 1 13 . 1 1 24 24 THR H H 369 8.017 8.017 7.733 0.284 18297 6025 1 13 . 1 1 25 25 ASN N N 370 118.847 118.847 118.927 -0.080 18297 6026 1 13 . 1 1 25 25 ASN HA H 370 4.846 4.846 4.975 -0.129 18297 6027 1 13 . 1 1 25 25 ASN C C 370 176.455 176.455 174.632 1.823 18297 6028 1 13 . 1 1 25 25 ASN CA C 370 53.944 53.944 52.185 1.759 18297 6029 1 13 . 1 1 25 25 ASN CB C 370 39.718 39.718 40.620 -0.902 18297 6030 1 13 . 1 1 25 25 ASN H H 370 8.149 8.149 8.057 0.092 18297 6031 1 13 . 1 1 26 26 SER N N 371 116.888 116.888 118.987 -2.099 18297 6032 1 13 . 1 1 26 26 SER HA H 371 4.375 4.375 4.327 0.048 18297 6033 1 13 . 1 1 26 26 SER C C 371 176.257 176.257 175.140 1.117 18297 6034 1 13 . 1 1 26 26 SER CA C 371 59.603 59.603 60.062 -0.459 18297 6035 1 13 . 1 1 26 26 SER CB C 371 63.792 63.792 63.800 -0.008 18297 6036 1 13 . 1 1 26 26 SER H H 371 7.889 7.889 8.638 -0.749 18297 6037 1 13 . 1 1 27 27 ALA N N 372 128.743 128.743 122.869 5.874 18297 6038 1 13 . 1 1 27 27 ALA HA H 372 4.228 4.228 4.521 -0.293 18297 6039 1 13 . 1 1 27 27 ALA C C 372 178.538 178.538 180.169 -1.631 18297 6040 1 13 . 1 1 27 27 ALA CA C 372 54.491 54.491 53.412 1.079 18297 6041 1 13 . 1 1 27 27 ALA CB C 372 18.772 18.772 19.014 -0.242 18297 6042 1 13 . 1 1 27 27 ALA H H 372 8.836 8.836 8.215 0.621 18297 6043 1 13 . 1 1 28 28 SER N N 373 110.751 110.751 115.451 -4.700 18297 6044 1 13 . 1 1 28 28 SER HA H 373 4.426 4.426 4.396 0.030 18297 6045 1 13 . 1 1 28 28 SER C C 373 174.548 174.548 175.709 -1.161 18297 6046 1 13 . 1 1 28 28 SER CA C 373 59.415 59.415 60.582 -1.167 18297 6047 1 13 . 1 1 28 28 SER CB C 373 63.394 63.394 63.381 0.013 18297 6048 1 13 . 1 1 28 28 SER H H 373 8.069 8.069 8.777 -0.708 18297 6049 1 13 . 1 1 29 29 LEU N N 374 122.012 122.012 120.733 1.279 18297 6050 1 13 . 1 1 29 29 LEU HA H 374 4.465 4.465 4.522 -0.057 18297 6051 1 13 . 1 1 29 29 LEU C C 374 175.716 175.716 176.652 -0.936 18297 6052 1 13 . 1 1 29 29 LEU CA C 374 56.132 56.132 54.026 2.106 18297 6053 1 13 . 1 1 29 29 LEU CB C 374 44.295 44.295 42.274 2.021 18297 6054 1 13 . 1 1 29 29 LEU H H 374 7.547 7.547 7.668 -0.121 18297 6055 1 13 . 1 1 30 30 GLN N N 375 116.052 116.052 119.515 -3.463 18297 6056 1 13 . 1 1 30 30 GLN HA H 375 4.003 4.003 4.081 -0.078 18297 6057 1 13 . 1 1 30 30 GLN C C 375 175.498 175.498 177.314 -1.816 18297 6058 1 13 . 1 1 30 30 GLN CA C 375 56.434 56.434 58.094 -1.660 18297 6059 1 13 . 1 1 30 30 GLN CB C 375 27.948 27.948 28.154 -0.206 18297 6060 1 13 . 1 1 30 30 GLN H H 375 8.060 8.060 7.708 0.352 18297 6061 1 13 . 1 1 31 31 MET N N 376 117.691 117.691 114.953 2.738 18297 6062 1 13 . 1 1 31 31 MET HA H 376 4.283 4.283 4.565 -0.282 18297 6063 1 13 . 1 1 31 31 MET C C 376 175.843 175.843 176.837 -0.994 18297 6064 1 13 . 1 1 31 31 MET CA C 376 57.728 57.728 57.369 0.359 18297 6065 1 13 . 1 1 31 31 MET CB C 376 33.451 33.451 32.498 0.953 18297 6066 1 13 . 1 1 31 31 MET H H 376 8.211 8.211 8.047 0.164 18297 6067 1 13 . 1 1 32 32 LYS N N 377 122.028 122.028 119.325 2.703 18297 6068 1 13 . 1 1 32 32 LYS HA H 377 4.414 4.414 4.350 0.064 18297 6069 1 13 . 1 1 32 32 LYS C C 377 177.837 177.837 176.250 1.587 18297 6070 1 13 . 1 1 32 32 LYS CA C 377 58.052 58.052 55.804 2.248 18297 6071 1 13 . 1 1 32 32 LYS CB C 377 34.994 34.994 31.995 2.999 18297 6072 1 13 . 1 1 32 32 LYS H H 377 9.461 9.461 7.832 1.629 18297 6073 1 13 . 1 1 33 33 SER N N 378 115.056 115.056 116.489 -1.433 18297 6074 1 13 . 1 1 33 33 SER HA H 378 4.650 4.650 4.530 0.120 18297 6075 1 13 . 1 1 33 33 SER C C 378 172.026 172.026 173.498 -1.472 18297 6076 1 13 . 1 1 33 33 SER CA C 378 55.038 55.038 56.036 -0.998 18297 6077 1 13 . 1 1 33 33 SER CB C 378 62.908 62.908 63.526 -0.618 18297 6078 1 13 . 1 1 33 33 SER H H 378 10.101 10.101 7.280 2.821 18297 6079 1 13 . 1 1 34 34 PRO HA H 379 5.043 5.043 4.681 0.362 18297 6080 1 13 . 1 1 34 34 PRO C C 379 175.422 175.422 175.095 0.327 18297 6081 1 13 . 1 1 34 34 PRO CA C 379 63.792 63.792 62.420 1.372 18297 6082 1 13 . 1 1 34 34 PRO CB C 379 33.703 33.703 32.620 1.083 18297 6083 1 13 . 1 1 35 35 ALA N N 380 121.498 121.498 123.334 -1.836 18297 6084 1 13 . 1 1 35 35 ALA HA H 380 5.137 5.137 4.246 0.891 18297 6085 1 13 . 1 1 35 35 ALA C C 380 177.313 177.313 175.346 1.967 18297 6086 1 13 . 1 1 35 35 ALA CA C 380 50.661 50.661 50.418 0.243 18297 6087 1 13 . 1 1 35 35 ALA CB C 380 22.118 22.118 21.982 0.136 18297 6088 1 13 . 1 1 35 35 ALA H H 380 8.894 8.894 8.862 0.032 18297 6089 1 13 . 1 1 36 36 ILE N N 381 120.470 120.470 124.860 -4.390 18297 6090 1 13 . 1 1 36 36 ILE HA H 381 4.967 4.967 5.195 -0.228 18297 6091 1 13 . 1 1 36 36 ILE C C 381 175.314 175.314 175.415 -0.101 18297 6092 1 13 . 1 1 36 36 ILE CA C 381 61.056 61.056 59.917 1.139 18297 6093 1 13 . 1 1 36 36 ILE CB C 381 41.364 41.364 40.097 1.266 18297 6094 1 13 . 1 1 36 36 ILE H H 381 9.038 9.038 7.928 1.110 18297 6095 1 13 . 1 1 37 37 THR N N 382 123.297 123.297 122.217 1.080 18297 6096 1 13 . 1 1 37 37 THR HA H 382 5.252 5.252 4.891 0.361 18297 6097 1 13 . 1 1 37 37 THR C C 382 172.289 172.289 172.608 -0.319 18297 6098 1 13 . 1 1 37 37 THR CA C 382 60.977 60.977 61.019 -0.042 18297 6099 1 13 . 1 1 37 37 THR CB C 382 71.919 71.919 71.951 -0.032 18297 6100 1 13 . 1 1 37 37 THR H H 382 9.363 9.363 8.931 0.432 18297 6101 1 13 . 1 1 38 38 ALA N N 383 123.340 123.340 126.000 -2.660 18297 6102 1 13 . 1 1 38 38 ALA HA H 383 4.935 4.935 4.946 -0.011 18297 6103 1 13 . 1 1 38 38 ALA C C 383 175.743 175.743 175.312 0.431 18297 6104 1 13 . 1 1 38 38 ALA CA C 383 51.147 51.147 51.006 0.141 18297 6105 1 13 . 1 1 38 38 ALA CB C 383 22.758 22.758 22.715 0.043 18297 6106 1 13 . 1 1 38 38 ALA H H 383 8.896 8.896 8.500 0.396 18297 6107 1 13 . 1 1 39 39 THR N N 384 118.815 118.815 115.422 3.393 18297 6108 1 13 . 1 1 39 39 THR HA H 384 4.892 4.892 5.118 -0.226 18297 6109 1 13 . 1 1 39 39 THR C C 384 174.098 174.098 174.219 -0.121 18297 6110 1 13 . 1 1 39 39 THR CA C 384 62.310 62.310 60.828 1.482 18297 6111 1 13 . 1 1 39 39 THR CB C 384 69.263 69.263 69.609 -0.346 18297 6112 1 13 . 1 1 39 39 THR H H 384 8.968 8.968 8.627 0.341 18297 6113 1 13 . 1 1 40 40 LEU N N 385 128.711 128.711 127.542 1.169 18297 6114 1 13 . 1 1 40 40 LEU HA H 385 4.791 4.791 4.759 0.032 18297 6115 1 13 . 1 1 40 40 LEU C C 385 176.479 176.479 176.211 0.268 18297 6116 1 13 . 1 1 40 40 LEU CA C 385 53.944 53.944 54.523 -0.579 18297 6117 1 13 . 1 1 40 40 LEU CB C 385 44.966 44.966 44.088 0.878 18297 6118 1 13 . 1 1 40 40 LEU H H 385 8.667 8.667 9.059 -0.392 18297 6119 1 13 . 1 1 41 41 GLU N N 386 124.470 124.470 125.746 -1.276 18297 6120 1 13 . 1 1 41 41 GLU HA H 386 3.936 3.936 3.965 -0.029 18297 6121 1 13 . 1 1 41 41 GLU C C 386 176.878 176.878 176.190 0.688 18297 6122 1 13 . 1 1 41 41 GLU CA C 386 57.226 57.226 56.675 0.551 18297 6123 1 13 . 1 1 41 41 GLU CB C 386 27.735 27.735 28.266 -0.531 18297 6124 1 13 . 1 1 41 41 GLU H H 386 9.547 9.547 9.419 0.128 18297 6125 1 13 . 1 1 42 42 GLY N N 387 104.068 104.068 104.218 -0.150 18297 6126 1 13 . 1 1 42 42 GLY C C 387 173.993 173.993 173.696 0.297 18297 6127 1 13 . 1 1 42 42 GLY CA C 387 45.596 45.596 44.903 0.693 18297 6128 1 13 . 1 1 42 42 GLY H H 387 8.578 8.578 8.312 0.266 18297 6129 1 13 . 1 1 43 43 LYS N N 388 120.422 120.422 121.070 -0.648 18297 6130 1 13 . 1 1 43 43 LYS HA H 388 4.701 4.701 4.567 0.134 18297 6131 1 13 . 1 1 43 43 LYS C C 388 175.054 175.054 174.805 0.249 18297 6132 1 13 . 1 1 43 43 LYS CA C 388 54.491 54.491 54.836 -0.345 18297 6133 1 13 . 1 1 43 43 LYS CB C 388 34.968 34.968 35.007 -0.039 18297 6134 1 13 . 1 1 43 43 LYS H H 388 7.826 7.826 7.605 0.221 18297 6135 1 13 . 1 1 44 44 ASN N N 389 122.606 122.606 122.107 0.499 18297 6136 1 13 . 1 1 44 44 ASN HA H 389 4.895 4.895 4.897 -0.002 18297 6137 1 13 . 1 1 44 44 ASN C C 389 174.905 174.905 174.779 0.126 18297 6138 1 13 . 1 1 44 44 ASN CA C 389 53.944 53.944 53.473 0.471 18297 6139 1 13 . 1 1 44 44 ASN CB C 389 39.229 39.229 39.455 -0.226 18297 6140 1 13 . 1 1 44 44 ASN H H 389 8.827 8.827 8.823 0.004 18297 6141 1 13 . 1 1 45 45 ARG N N 390 125.867 125.867 127.515 -1.648 18297 6142 1 13 . 1 1 45 45 ARG HA H 390 4.756 4.756 4.701 0.055 18297 6143 1 13 . 1 1 45 45 ARG C C 390 175.224 175.224 175.185 0.039 18297 6144 1 13 . 1 1 45 45 ARG CA C 390 54.491 54.491 54.023 0.468 18297 6145 1 13 . 1 1 45 45 ARG CB C 390 32.973 32.973 32.412 0.561 18297 6146 1 13 . 1 1 45 45 ARG H H 390 9.220 9.220 9.104 0.116 18297 6147 1 13 . 1 1 46 46 THR N N 391 122.574 122.574 123.418 -0.844 18297 6148 1 13 . 1 1 46 46 THR HA H 391 4.289 4.289 4.424 -0.135 18297 6149 1 13 . 1 1 46 46 THR C C 391 174.010 174.010 173.469 0.541 18297 6150 1 13 . 1 1 46 46 THR CA C 391 63.509 63.509 63.523 -0.014 18297 6151 1 13 . 1 1 46 46 THR CB C 391 68.716 68.716 69.098 -0.382 18297 6152 1 13 . 1 1 46 46 THR H H 391 8.940 8.940 8.672 0.268 18297 6153 1 13 . 1 1 47 47 LEU N N 392 128.647 128.647 124.530 4.117 18297 6154 1 13 . 1 1 47 47 LEU HA H 392 4.339 4.339 4.526 -0.187 18297 6155 1 13 . 1 1 47 47 LEU C C 392 176.670 176.670 175.757 0.913 18297 6156 1 13 . 1 1 47 47 LEU CA C 392 56.132 56.132 54.908 1.224 18297 6157 1 13 . 1 1 47 47 LEU CB C 392 42.678 42.678 43.160 -0.482 18297 6158 1 13 . 1 1 47 47 LEU H H 392 9.096 9.096 8.477 0.619 18297 6159 1 13 . 1 1 48 48 TYR N N 393 113.514 113.514 116.130 -2.616 18297 6160 1 13 . 1 1 48 48 TYR HA H 393 4.618 4.618 4.560 0.058 18297 6161 1 13 . 1 1 48 48 TYR C C 393 173.455 173.455 175.439 -1.984 18297 6162 1 13 . 1 1 48 48 TYR CA C 393 59.415 59.415 56.921 2.494 18297 6163 1 13 . 1 1 48 48 TYR CB C 393 41.384 41.384 39.975 1.409 18297 6164 1 13 . 1 1 48 48 TYR H H 393 7.562 7.562 7.600 -0.038 18297 6165 1 13 . 1 1 57 57 GLU N N 402 128.181 128.181 121.759 6.422 18297 6166 1 13 . 1 1 57 57 GLU H H 402 8.645 8.645 8.071 0.574 18297 6167 1 13 . 1 1 58 58 ARG N N 403 117.080 117.080 127.234 -10.154 18297 6168 1 13 . 1 1 58 58 ARG HA H 403 4.302 4.302 4.162 0.140 18297 6169 1 13 . 1 1 58 58 ARG CA C 403 58.321 58.321 57.577 0.744 18297 6170 1 13 . 1 1 58 58 ARG CB C 403 31.165 31.165 31.006 0.159 18297 6171 1 13 . 1 1 58 58 ARG H H 403 8.278 8.278 8.753 -0.475 18297 6172 1 13 . 1 1 59 59 THR N N 404 108.390 108.390 112.136 -3.746 18297 6173 1 13 . 1 1 59 59 THR HA H 404 4.932 4.932 3.997 0.935 18297 6174 1 13 . 1 1 59 59 THR H H 404 8.301 8.301 8.289 0.012 18297 6175 1 13 . 1 1 60 60 ARG N N 405 126.639 126.639 118.743 7.896 18297 6176 1 13 . 1 1 60 60 ARG H H 405 8.549 8.549 8.064 0.485 18297 6177 1 13 . 1 1 61 61 PRO HA H 406 4.431 4.431 4.332 0.099 18297 6178 1 13 . 1 1 61 61 PRO C C 406 178.434 178.434 177.655 0.779 18297 6179 1 13 . 1 1 61 61 PRO CA C 406 65.980 65.980 65.318 0.662 18297 6180 1 13 . 1 1 61 61 PRO CB C 406 31.348 31.348 31.600 -0.252 18297 6181 1 13 . 1 1 62 62 ASN N N 407 114.574 114.574 115.975 -1.401 18297 6182 1 13 . 1 1 62 62 ASN HA H 407 4.390 4.390 4.481 -0.091 18297 6183 1 13 . 1 1 62 62 ASN C C 407 177.863 177.863 177.945 -0.082 18297 6184 1 13 . 1 1 62 62 ASN CA C 407 55.308 55.308 55.868 -0.560 18297 6185 1 13 . 1 1 62 62 ASN CB C 407 37.530 37.530 37.515 0.015 18297 6186 1 13 . 1 1 62 62 ASN H H 407 8.481 8.481 8.609 -0.128 18297 6187 1 13 . 1 1 63 63 LEU N N 408 115.667 115.667 119.698 -4.031 18297 6188 1 13 . 1 1 63 63 LEU HA H 408 3.861 3.861 4.015 -0.154 18297 6189 1 13 . 1 1 63 63 LEU C C 408 177.708 177.708 178.086 -0.378 18297 6190 1 13 . 1 1 63 63 LEU CA C 408 57.667 57.667 57.587 0.079 18297 6191 1 13 . 1 1 63 63 LEU CB C 408 41.706 41.706 41.697 0.009 18297 6192 1 13 . 1 1 63 63 LEU H H 408 8.022 8.022 7.345 0.677 18297 6193 1 13 . 1 1 64 64 SER N N 409 109.209 109.209 112.348 -3.139 18297 6194 1 13 . 1 1 64 64 SER HA H 409 4.588 4.588 4.397 0.191 18297 6195 1 13 . 1 1 64 64 SER C C 409 173.870 173.870 173.880 -0.010 18297 6196 1 13 . 1 1 64 64 SER CA C 409 58.321 58.321 59.141 -0.820 18297 6197 1 13 . 1 1 64 64 SER CB C 409 63.855 63.855 62.880 0.975 18297 6198 1 13 . 1 1 64 64 SER H H 409 7.232 7.232 7.597 -0.365 18297 6199 1 13 . 1 1 65 65 LYS N N 410 122.735 122.735 121.137 1.598 18297 6200 1 13 . 1 1 65 65 LYS HA H 410 4.609 4.609 4.581 0.028 18297 6201 1 13 . 1 1 65 65 LYS C C 410 175.946 175.946 175.704 0.242 18297 6202 1 13 . 1 1 65 65 LYS CA C 410 55.463 55.463 55.088 0.375 18297 6203 1 13 . 1 1 65 65 LYS CB C 410 34.422 34.422 34.411 0.011 18297 6204 1 13 . 1 1 65 65 LYS H H 410 7.543 7.543 7.078 0.465 18297 6205 1 13 . 1 1 66 66 THR N N 411 110.944 110.944 111.591 -0.647 18297 6206 1 13 . 1 1 66 66 THR HA H 411 5.003 5.003 4.839 0.164 18297 6207 1 13 . 1 1 66 66 THR C C 411 176.038 176.038 176.426 -0.388 18297 6208 1 13 . 1 1 66 66 THR CA C 411 60.221 60.221 60.613 -0.392 18297 6209 1 13 . 1 1 66 66 THR CB C 411 70.956 70.956 70.471 0.485 18297 6210 1 13 . 1 1 66 66 THR H H 411 8.980 8.980 8.101 0.879 18297 6211 1 13 . 1 1 67 67 LEU N N 412 118.076 118.076 121.343 -3.267 18297 6212 1 13 . 1 1 67 67 LEU HA H 412 3.961 3.961 4.024 -0.063 18297 6213 1 13 . 1 1 67 67 LEU C C 412 179.227 179.227 178.817 0.410 18297 6214 1 13 . 1 1 67 67 LEU CA C 412 58.321 58.321 58.674 -0.353 18297 6215 1 13 . 1 1 67 67 LEU CB C 412 39.914 39.914 41.362 -1.448 18297 6216 1 13 . 1 1 67 67 LEU H H 412 8.434 8.434 8.574 -0.140 18297 6217 1 13 . 1 1 68 68 LYS N N 413 116.373 116.373 117.810 -1.437 18297 6218 1 13 . 1 1 68 68 LYS HA H 413 4.285 4.285 4.083 0.202 18297 6219 1 13 . 1 1 68 68 LYS C C 413 181.338 181.338 179.594 1.744 18297 6220 1 13 . 1 1 68 68 LYS CA C 413 58.868 58.868 58.702 0.166 18297 6221 1 13 . 1 1 68 68 LYS CB C 413 32.606 32.606 31.791 0.815 18297 6222 1 13 . 1 1 68 68 LYS H H 413 8.171 8.171 7.545 0.626 18297 6223 1 13 . 1 1 69 69 GLU N N 414 123.731 123.731 120.133 3.598 18297 6224 1 13 . 1 1 69 69 GLU HA H 414 4.072 4.072 4.122 -0.050 18297 6225 1 13 . 1 1 69 69 GLU C C 414 179.202 179.202 178.643 0.559 18297 6226 1 13 . 1 1 69 69 GLU CA C 414 58.868 58.868 58.420 0.448 18297 6227 1 13 . 1 1 69 69 GLU CB C 414 29.566 29.566 29.176 0.390 18297 6228 1 13 . 1 1 69 69 GLU H H 414 8.326 8.326 7.664 0.662 18297 6229 1 13 . 1 1 70 70 LEU N N 415 119.008 119.008 117.325 1.683 18297 6230 1 13 . 1 1 70 70 LEU HA H 415 4.218 4.218 4.212 0.006 18297 6231 1 13 . 1 1 70 70 LEU C C 415 176.505 176.505 177.114 -0.609 18297 6232 1 13 . 1 1 70 70 LEU CA C 415 55.822 55.822 55.018 0.804 18297 6233 1 13 . 1 1 70 70 LEU CB C 415 43.012 43.012 41.886 1.126 18297 6234 1 13 . 1 1 70 70 LEU H H 415 7.993 7.993 7.861 0.132 18297 6235 1 13 . 1 1 71 71 GLY N N 416 105.578 105.578 106.398 -0.820 18297 6236 1 13 . 1 1 71 71 GLY C C 416 174.505 174.505 174.575 -0.070 18297 6237 1 13 . 1 1 71 71 GLY CA C 416 45.191 45.191 45.242 -0.050 18297 6238 1 13 . 1 1 71 71 GLY H H 416 7.880 7.880 7.692 0.188 18297 6239 1 13 . 1 1 72 72 LEU N N 417 119.201 119.201 120.924 -1.723 18297 6240 1 13 . 1 1 72 72 LEU HA H 417 4.599 4.599 4.626 -0.027 18297 6241 1 13 . 1 1 72 72 LEU C C 417 176.208 176.208 176.147 0.061 18297 6242 1 13 . 1 1 72 72 LEU CA C 417 54.815 54.815 54.727 0.088 18297 6243 1 13 . 1 1 72 72 LEU CB C 417 41.867 41.867 43.149 -1.282 18297 6244 1 13 . 1 1 72 72 LEU H H 417 7.466 7.466 7.911 -0.445 18297 6245 1 13 . 1 1 73 73 VAL N N 418 112.871 112.871 120.056 -7.185 18297 6246 1 13 . 1 1 73 73 VAL HA H 418 4.782 4.782 4.459 0.323 18297 6247 1 13 . 1 1 73 73 VAL C C 418 174.804 174.804 174.550 0.254 18297 6248 1 13 . 1 1 73 73 VAL CA C 418 59.070 59.070 58.987 0.083 18297 6249 1 13 . 1 1 73 73 VAL CB C 418 35.557 35.557 36.061 -0.504 18297 6250 1 13 . 1 1 73 73 VAL H H 418 8.003 8.003 8.328 -0.325 18297 6251 1 13 . 1 1 74 74 ASP N N 419 119.972 119.972 121.600 -1.628 18297 6252 1 13 . 1 1 74 74 ASP HA H 419 3.593 3.593 4.806 -1.213 18297 6253 1 13 . 1 1 74 74 ASP C C 419 177.545 177.545 176.958 0.587 18297 6254 1 13 . 1 1 74 74 ASP CA C 419 56.419 56.419 55.098 1.321 18297 6255 1 13 . 1 1 74 74 ASP CB C 419 42.035 42.035 40.965 1.070 18297 6256 1 13 . 1 1 74 74 ASP H H 419 8.250 8.250 8.600 -0.350 18297 6257 1 13 . 1 1 75 75 GLY N N 420 116.020 116.020 112.442 3.578 18297 6258 1 13 . 1 1 75 75 GLY C C 420 173.763 173.763 174.363 -0.600 18297 6259 1 13 . 1 1 75 75 GLY CA C 420 45.354 45.354 44.876 0.478 18297 6260 1 13 . 1 1 75 75 GLY H H 420 8.704 8.704 8.837 -0.133 18297 6261 1 13 . 1 1 76 76 GLN N N 421 121.514 121.514 120.752 0.762 18297 6262 1 13 . 1 1 76 76 GLN HA H 421 4.048 4.048 4.315 -0.267 18297 6263 1 13 . 1 1 76 76 GLN C C 421 175.023 175.023 175.125 -0.102 18297 6264 1 13 . 1 1 76 76 GLN CA C 421 56.709 56.709 55.896 0.813 18297 6265 1 13 . 1 1 76 76 GLN CB C 421 29.511 29.511 29.722 -0.211 18297 6266 1 13 . 1 1 76 76 GLN H H 421 7.867 7.867 7.618 0.249 18297 6267 1 13 . 1 1 77 77 GLU N N 422 123.859 123.859 122.283 1.576 18297 6268 1 13 . 1 1 77 77 GLU HA H 422 5.186 5.186 5.366 -0.180 18297 6269 1 13 . 1 1 77 77 GLU C C 422 176.877 176.877 175.661 1.216 18297 6270 1 13 . 1 1 77 77 GLU CA C 422 55.786 55.786 55.478 0.308 18297 6271 1 13 . 1 1 77 77 GLU CB C 422 31.509 31.509 31.626 -0.117 18297 6272 1 13 . 1 1 77 77 GLU H H 422 8.568 8.568 8.677 -0.109 18297 6273 1 13 . 1 1 78 78 LEU N N 423 125.867 125.867 124.363 1.504 18297 6274 1 13 . 1 1 78 78 LEU HA H 423 5.080 5.080 4.623 0.457 18297 6275 1 13 . 1 1 78 78 LEU C C 423 174.470 174.470 175.287 -0.817 18297 6276 1 13 . 1 1 78 78 LEU CA C 423 53.686 53.686 53.648 0.038 18297 6277 1 13 . 1 1 78 78 LEU CB C 423 44.966 44.966 44.578 0.388 18297 6278 1 13 . 1 1 78 78 LEU H H 423 9.313 9.313 8.907 0.406 18297 6279 1 13 . 1 1 79 79 ALA N N 424 126.044 126.044 125.660 0.384 18297 6280 1 13 . 1 1 79 79 ALA HA H 424 5.206 5.206 5.150 0.056 18297 6281 1 13 . 1 1 79 79 ALA C C 424 176.786 176.786 175.268 1.518 18297 6282 1 13 . 1 1 79 79 ALA CA C 424 51.049 51.049 50.363 0.686 18297 6283 1 13 . 1 1 79 79 ALA CB C 424 20.453 20.453 20.958 -0.505 18297 6284 1 13 . 1 1 79 79 ALA H H 424 8.918 8.918 9.021 -0.103 18297 6285 1 13 . 1 1 80 80 VAL N N 425 124.759 124.759 124.532 0.227 18297 6286 1 13 . 1 1 80 80 VAL HA H 425 5.344 5.344 5.021 0.323 18297 6287 1 13 . 1 1 80 80 VAL C C 425 173.757 173.757 173.521 0.236 18297 6288 1 13 . 1 1 80 80 VAL CA C 425 60.886 60.886 59.950 0.936 18297 6289 1 13 . 1 1 80 80 VAL CB C 425 34.908 34.908 36.008 -1.100 18297 6290 1 13 . 1 1 80 80 VAL H H 425 9.357 9.357 8.856 0.501 18297 6291 1 13 . 1 1 81 81 ALA N N 426 129.353 129.353 130.219 -0.866 18297 6292 1 13 . 1 1 81 81 ALA HA H 426 5.045 5.045 4.939 0.106 18297 6293 1 13 . 1 1 81 81 ALA C C 426 175.938 175.938 175.223 0.715 18297 6294 1 13 . 1 1 81 81 ALA CA C 426 50.133 50.133 49.849 0.284 18297 6295 1 13 . 1 1 81 81 ALA CB C 426 22.758 22.758 23.004 -0.246 18297 6296 1 13 . 1 1 81 81 ALA H H 426 8.502 8.502 9.012 -0.510 18297 6297 1 13 . 1 1 82 82 ASP N N 427 120.165 120.165 121.985 -1.820 18297 6298 1 13 . 1 1 82 82 ASP HA H 427 5.100 5.100 5.044 0.056 18297 6299 1 13 . 1 1 82 82 ASP C C 427 176.669 176.669 176.332 0.337 18297 6300 1 13 . 1 1 82 82 ASP CA C 427 54.491 54.491 53.183 1.308 18297 6301 1 13 . 1 1 82 82 ASP CB C 427 46.891 46.891 44.493 2.398 18297 6302 1 13 . 1 1 82 82 ASP H H 427 8.906 8.906 7.881 1.025 18297 6303 1 13 . 1 1 83 83 VAL N N 428 119.201 119.201 115.386 3.815 18297 6304 1 13 . 1 1 83 83 VAL HA H 428 4.153 4.153 4.068 0.085 18297 6305 1 13 . 1 1 83 83 VAL C C 428 177.085 177.085 176.842 0.243 18297 6306 1 13 . 1 1 83 83 VAL CA C 428 63.992 63.992 64.808 -0.816 18297 6307 1 13 . 1 1 83 83 VAL CB C 428 31.772 31.772 31.828 -0.056 18297 6308 1 13 . 1 1 83 83 VAL H H 428 8.114 8.114 8.546 -0.432 18297 6309 1 13 . 1 1 84 84 THR N N 429 110.173 110.173 113.609 -3.436 18297 6310 1 13 . 1 1 84 84 THR HA H 429 4.235 4.235 4.424 -0.189 18297 6311 1 13 . 1 1 84 84 THR C C 429 174.905 174.905 173.999 0.906 18297 6312 1 13 . 1 1 84 84 THR CA C 429 63.533 63.533 62.496 1.037 18297 6313 1 13 . 1 1 84 84 THR CB C 429 70.613 70.613 69.216 1.397 18297 6314 1 13 . 1 1 84 84 THR H H 429 7.899 7.899 8.231 -0.332 18297 6315 1 13 . 1 1 85 85 THR N N 430 116.438 116.438 119.017 -2.579 18297 6316 1 13 . 1 1 85 85 THR HA H 430 5.132 5.132 4.796 0.336 18297 6317 1 13 . 1 1 85 85 THR C C 430 173.160 173.160 172.682 0.478 18297 6318 1 13 . 1 1 85 85 THR CA C 430 57.863 57.863 59.465 -1.603 18297 6319 1 13 . 1 1 85 85 THR CB C 430 71.050 71.050 70.441 0.609 18297 6320 1 13 . 1 1 85 85 THR H H 430 7.810 7.810 7.106 0.704 18297 6321 1 13 . 1 1 86 86 PRO HA H 431 4.582 4.582 4.432 0.150 18297 6322 1 13 . 1 1 86 86 PRO CA C 431 64.086 64.086 63.425 0.661 18297 6323 1 13 . 1 1 86 86 PRO CB C 431 31.995 31.995 32.322 -0.327 18297 6324 1 13 . 1 1 87 87 GLN N N 432 117.241 117.241 118.690 -1.449 18297 6325 1 13 . 1 1 87 87 GLN HA H 432 4.618 4.618 4.318 0.300 18297 6326 1 13 . 1 1 87 87 GLN C C 432 175.653 175.653 175.503 0.150 18297 6327 1 13 . 1 1 87 87 GLN CA C 432 54.491 54.491 55.557 -1.066 18297 6328 1 13 . 1 1 87 87 GLN CB C 432 30.799 30.799 29.250 1.549 18297 6329 1 13 . 1 1 87 87 GLN H H 432 7.786 7.786 7.778 0.008 18297 6330 1 13 . 1 1 88 88 THR N N 433 119.651 119.651 116.422 3.229 18297 6331 1 13 . 1 1 88 88 THR HA H 433 4.440 4.440 4.939 -0.499 18297 6332 1 13 . 1 1 88 88 THR C C 433 173.939 173.939 174.412 -0.473 18297 6333 1 13 . 1 1 88 88 THR CA C 433 63.792 63.792 60.768 3.024 18297 6334 1 13 . 1 1 88 88 THR CB C 433 70.357 70.357 69.878 0.479 18297 6335 1 13 . 1 1 88 88 THR H H 433 8.460 8.460 8.245 0.215 18297 6336 1 13 . 1 1 89 89 VAL N N 434 128.068 128.068 128.818 -0.750 18297 6337 1 13 . 1 1 89 89 VAL HA H 434 4.153 4.153 4.072 0.081 18297 6338 1 13 . 1 1 89 89 VAL C C 434 174.083 174.083 174.256 -0.173 18297 6339 1 13 . 1 1 89 89 VAL CA C 434 61.827 61.827 61.224 0.603 18297 6340 1 13 . 1 1 89 89 VAL CB C 434 33.937 33.937 33.335 0.602 18297 6341 1 13 . 1 1 89 89 VAL H H 434 9.275 9.275 8.954 0.321 18297 6342 1 13 . 1 1 90 90 LEU N N 435 125.755 125.755 126.966 -1.211 18297 6343 1 13 . 1 1 90 90 LEU HA H 435 5.304 5.304 4.969 0.335 18297 6344 1 13 . 1 1 90 90 LEU C C 435 176.455 176.455 174.989 1.466 18297 6345 1 13 . 1 1 90 90 LEU CA C 435 53.396 53.396 53.917 -0.521 18297 6346 1 13 . 1 1 90 90 LEU CB C 435 44.023 44.023 44.230 -0.207 18297 6347 1 13 . 1 1 90 90 LEU H H 435 8.169 8.169 8.354 -0.185 18297 6348 1 13 . 1 1 91 91 PHE N N 436 120.743 120.743 125.039 -4.296 18297 6349 1 13 . 1 1 91 91 PHE HA H 436 5.314 5.314 5.634 -0.320 18297 6350 1 13 . 1 1 91 91 PHE C C 436 174.788 174.788 174.998 -0.210 18297 6351 1 13 . 1 1 91 91 PHE CA C 436 56.327 56.327 55.883 0.444 18297 6352 1 13 . 1 1 91 91 PHE CB C 436 43.330 43.330 42.788 0.542 18297 6353 1 13 . 1 1 91 91 PHE H H 436 9.222 9.222 9.429 -0.207 18297 6354 1 13 . 1 1 92 92 LYS N N 437 123.120 123.120 122.782 0.338 18297 6355 1 13 . 1 1 92 92 LYS HA H 437 4.708 4.708 4.970 -0.262 18297 6356 1 13 . 1 1 92 92 LYS C C 437 174.606 174.606 174.809 -0.203 18297 6357 1 13 . 1 1 92 92 LYS CA C 437 55.139 55.139 54.867 0.272 18297 6358 1 13 . 1 1 92 92 LYS CB C 437 34.269 34.269 35.022 -0.753 18297 6359 1 13 . 1 1 92 92 LYS H H 437 8.908 8.908 9.367 -0.459 18297 6360 1 13 . 1 1 93 93 LEU N N 438 128.422 128.422 127.859 0.563 18297 6361 1 13 . 1 1 93 93 LEU HA H 438 4.480 4.480 4.723 -0.243 18297 6362 1 13 . 1 1 93 93 LEU C C 438 175.327 175.327 174.588 0.739 18297 6363 1 13 . 1 1 93 93 LEU CA C 438 55.139 55.139 53.688 1.450 18297 6364 1 13 . 1 1 93 93 LEU CB C 438 43.976 43.976 43.354 0.622 18297 6365 1 13 . 1 1 93 93 LEU H H 438 8.755 8.755 8.834 -0.079 18297 6366 1 13 . 1 1 94 94 HIS N N 439 123.859 123.859 126.072 -2.213 18297 6367 1 13 . 1 1 94 94 HIS HA H 439 5.180 5.180 4.857 0.323 18297 6368 1 13 . 1 1 94 94 HIS C C 439 174.297 174.297 173.643 0.654 18297 6369 1 13 . 1 1 94 94 HIS CA C 439 53.396 53.396 54.184 -0.788 18297 6370 1 13 . 1 1 94 94 HIS CB C 439 30.786 30.786 32.980 -2.194 18297 6371 1 13 . 1 1 94 94 HIS H H 439 8.891 8.891 9.046 -0.155 18297 6372 1 13 . 1 1 95 95 PHE N N 440 123.544 123.544 122.714 0.830 18297 6373 1 13 . 1 1 95 95 PHE HA H 440 6.231 6.231 5.652 0.579 18297 6374 1 13 . 1 1 95 95 PHE C C 440 178.229 178.229 176.923 1.306 18297 6375 1 13 . 1 1 95 95 PHE CA C 440 53.690 53.690 57.154 -3.464 18297 6376 1 13 . 1 1 95 95 PHE CB C 440 39.477 39.477 40.740 -1.263 18297 6377 1 13 . 1 1 95 95 PHE H H 440 8.896 8.896 8.892 0.004 18297 6378 1 13 . 1 1 96 96 THR N N 441 114.382 114.382 120.342 -5.960 18297 6379 1 13 . 1 1 96 96 THR HA H 441 4.617 4.617 4.457 0.160 18297 6380 1 13 . 1 1 96 96 THR C C 441 173.867 173.867 173.606 0.261 18297 6381 1 13 . 1 1 96 96 THR CA C 441 61.327 61.327 63.193 -1.866 18297 6382 1 13 . 1 1 96 96 THR CB C 441 69.561 69.561 69.501 0.060 18297 6383 1 13 . 1 1 96 96 THR H H 441 7.973 7.973 8.640 -0.667 18297 6384 1 14 . 1 1 2 2 SER HA H 347 4.570 4.570 4.587 -0.017 18297 6385 1 14 . 1 1 2 2 SER C C 347 174.335 174.335 174.425 -0.090 18297 6386 1 14 . 1 1 2 2 SER CA C 347 58.350 58.350 57.727 0.623 18297 6387 1 14 . 1 1 2 2 SER CB C 347 63.999 63.999 65.123 -1.124 18297 6388 1 14 . 1 1 3 3 GLN N N 348 122.478 122.478 121.936 0.542 18297 6389 1 14 . 1 1 3 3 GLN HA H 348 4.430 4.430 4.354 0.076 18297 6390 1 14 . 1 1 3 3 GLN C C 348 175.651 175.651 175.859 -0.208 18297 6391 1 14 . 1 1 3 3 GLN CA C 348 55.743 55.743 56.262 -0.519 18297 6392 1 14 . 1 1 3 3 GLN CB C 348 29.750 29.750 29.252 0.498 18297 6393 1 14 . 1 1 3 3 GLN H H 348 8.532 8.532 8.723 -0.191 18297 6394 1 14 . 1 1 4 4 LEU N N 349 125.369 125.369 117.794 7.575 18297 6395 1 14 . 1 1 4 4 LEU HA H 349 4.634 4.634 4.790 -0.156 18297 6396 1 14 . 1 1 4 4 LEU C C 349 175.324 175.324 174.544 0.780 18297 6397 1 14 . 1 1 4 4 LEU CA C 349 53.197 53.197 51.656 1.541 18297 6398 1 14 . 1 1 4 4 LEU CB C 349 41.867 41.867 41.055 0.812 18297 6399 1 14 . 1 1 4 4 LEU H H 349 8.403 8.403 7.516 0.887 18297 6400 1 14 . 1 1 5 5 PRO HA H 350 4.360 4.360 4.631 -0.271 18297 6401 1 14 . 1 1 5 5 PRO C C 350 176.639 176.639 176.142 0.497 18297 6402 1 14 . 1 1 5 5 PRO CA C 350 62.748 62.748 62.470 0.278 18297 6403 1 14 . 1 1 5 5 PRO CB C 350 32.319 32.319 32.464 -0.145 18297 6404 1 14 . 1 1 6 6 GLN N N 351 121.707 121.707 123.611 -1.904 18297 6405 1 14 . 1 1 6 6 GLN HA H 351 4.428 4.428 4.505 -0.077 18297 6406 1 14 . 1 1 6 6 GLN C C 351 175.898 175.898 175.038 0.860 18297 6407 1 14 . 1 1 6 6 GLN CA C 351 55.678 55.678 54.631 1.047 18297 6408 1 14 . 1 1 6 6 GLN CB C 351 30.054 30.054 31.493 -1.439 18297 6409 1 14 . 1 1 6 6 GLN H H 351 8.255 8.255 8.627 -0.372 18297 6410 1 14 . 1 1 7 7 ASN N N 352 123.275 123.275 120.727 2.548 18297 6411 1 14 . 1 1 7 7 ASN HA H 352 5.470 5.470 5.529 -0.059 18297 6412 1 14 . 1 1 7 7 ASN C C 352 175.324 175.324 174.870 0.454 18297 6413 1 14 . 1 1 7 7 ASN CA C 352 54.009 54.009 52.043 1.966 18297 6414 1 14 . 1 1 7 7 ASN CB C 352 40.414 40.414 40.191 0.223 18297 6415 1 14 . 1 1 7 7 ASN H H 352 8.860 8.860 8.596 0.264 18297 6416 1 14 . 1 1 8 8 ILE N N 353 119.104 119.104 116.954 2.150 18297 6417 1 14 . 1 1 8 8 ILE HA H 353 4.625 4.625 4.682 -0.057 18297 6418 1 14 . 1 1 8 8 ILE C C 353 173.669 173.669 174.290 -0.621 18297 6419 1 14 . 1 1 8 8 ILE CA C 353 60.201 60.201 59.901 0.300 18297 6420 1 14 . 1 1 8 8 ILE CB C 353 41.404 41.404 41.701 -0.297 18297 6421 1 14 . 1 1 8 8 ILE H H 353 8.808 8.808 9.240 -0.432 18297 6422 1 14 . 1 1 9 9 GLN N N 354 122.671 122.671 123.062 -0.391 18297 6423 1 14 . 1 1 9 9 GLN HA H 354 5.586 5.586 5.493 0.093 18297 6424 1 14 . 1 1 9 9 GLN C C 354 174.274 174.274 174.873 -0.599 18297 6425 1 14 . 1 1 9 9 GLN CA C 354 54.491 54.491 54.575 -0.084 18297 6426 1 14 . 1 1 9 9 GLN CB C 354 31.120 31.120 31.305 -0.185 18297 6427 1 14 . 1 1 9 9 GLN H H 354 8.021 8.021 8.309 -0.288 18297 6428 1 14 . 1 1 10 10 PHE N N 355 120.679 120.679 122.498 -1.819 18297 6429 1 14 . 1 1 10 10 PHE HA H 355 4.635 4.635 4.714 -0.079 18297 6430 1 14 . 1 1 10 10 PHE C C 355 174.715 174.715 174.726 -0.011 18297 6431 1 14 . 1 1 10 10 PHE CA C 355 57.226 57.226 56.603 0.623 18297 6432 1 14 . 1 1 10 10 PHE CB C 355 45.969 45.969 43.633 2.336 18297 6433 1 14 . 1 1 10 10 PHE H H 355 8.403 8.403 9.246 -0.843 18297 6434 1 14 . 1 1 11 11 SER N N 356 116.116 116.116 118.513 -2.397 18297 6435 1 14 . 1 1 11 11 SER HA H 356 5.020 5.020 5.425 -0.405 18297 6436 1 14 . 1 1 11 11 SER C C 356 174.917 174.917 174.690 0.227 18297 6437 1 14 . 1 1 11 11 SER CA C 356 56.110 56.110 56.406 -0.296 18297 6438 1 14 . 1 1 11 11 SER CB C 356 63.879 63.879 63.385 0.494 18297 6439 1 14 . 1 1 11 11 SER H H 356 8.757 8.757 8.683 0.074 18297 6440 1 14 . 1 1 12 12 PRO HA H 357 3.776 3.776 4.496 -0.720 18297 6441 1 14 . 1 1 12 12 PRO C C 357 176.155 176.155 177.939 -1.784 18297 6442 1 14 . 1 1 12 12 PRO CA C 357 64.886 64.886 65.182 -0.296 18297 6443 1 14 . 1 1 12 12 PRO CB C 357 31.222 31.222 31.570 -0.348 18297 6444 1 14 . 1 1 13 13 SER N N 358 107.859 107.859 110.651 -2.792 18297 6445 1 14 . 1 1 13 13 SER HA H 358 4.388 4.388 4.421 -0.033 18297 6446 1 14 . 1 1 13 13 SER C C 358 173.972 173.972 174.366 -0.394 18297 6447 1 14 . 1 1 13 13 SER CA C 358 57.728 57.728 58.106 -0.378 18297 6448 1 14 . 1 1 13 13 SER CB C 358 63.879 63.879 62.792 1.087 18297 6449 1 14 . 1 1 13 13 SER H H 358 7.636 7.636 8.188 -0.552 18297 6450 1 14 . 1 1 14 14 ALA N N 359 126.012 126.012 125.590 0.422 18297 6451 1 14 . 1 1 14 14 ALA HA H 359 4.320 4.320 4.429 -0.109 18297 6452 1 14 . 1 1 14 14 ALA C C 359 177.288 177.288 176.079 1.209 18297 6453 1 14 . 1 1 14 14 ALA CA C 359 52.849 52.849 52.041 0.808 18297 6454 1 14 . 1 1 14 14 ALA CB C 359 19.372 19.372 20.526 -1.154 18297 6455 1 14 . 1 1 14 14 ALA H H 359 7.937 7.937 7.992 -0.055 18297 6456 1 14 . 1 1 15 15 LYS N N 360 119.699 119.699 122.088 -2.389 18297 6457 1 14 . 1 1 15 15 LYS HA H 360 4.751 4.751 4.815 -0.064 18297 6458 1 14 . 1 1 15 15 LYS C C 360 179.638 179.638 177.513 2.125 18297 6459 1 14 . 1 1 15 15 LYS CA C 360 54.815 54.815 55.108 -0.293 18297 6460 1 14 . 1 1 15 15 LYS CB C 360 33.127 33.127 33.930 -0.803 18297 6461 1 14 . 1 1 15 15 LYS H H 360 8.523 8.523 9.374 -0.851 18297 6462 1 14 . 1 1 16 16 LEU N N 361 123.297 123.297 123.218 0.079 18297 6463 1 14 . 1 1 16 16 LEU HA H 361 3.828 3.828 3.900 -0.072 18297 6464 1 14 . 1 1 16 16 LEU C C 361 178.714 178.714 178.291 0.423 18297 6465 1 14 . 1 1 16 16 LEU CA C 361 58.321 58.321 58.545 -0.224 18297 6466 1 14 . 1 1 16 16 LEU CB C 361 40.240 40.240 41.650 -1.410 18297 6467 1 14 . 1 1 16 16 LEU H H 361 8.383 8.383 8.178 0.205 18297 6468 1 14 . 1 1 17 17 GLN N N 362 117.900 117.900 118.220 -0.320 18297 6469 1 14 . 1 1 17 17 GLN HA H 362 3.621 3.621 4.004 -0.383 18297 6470 1 14 . 1 1 17 17 GLN C C 362 176.370 176.370 177.965 -1.595 18297 6471 1 14 . 1 1 17 17 GLN CA C 362 58.547 58.547 58.847 -0.300 18297 6472 1 14 . 1 1 17 17 GLN CB C 362 29.442 29.442 28.108 1.334 18297 6473 1 14 . 1 1 17 17 GLN H H 362 8.766 8.766 8.131 0.635 18297 6474 1 14 . 1 1 18 18 GLU N N 363 116.341 116.341 119.656 -3.315 18297 6475 1 14 . 1 1 18 18 GLU HA H 363 4.201 4.201 4.055 0.146 18297 6476 1 14 . 1 1 18 18 GLU C C 363 180.135 180.135 179.187 0.948 18297 6477 1 14 . 1 1 18 18 GLU CA C 363 59.669 59.669 59.212 0.457 18297 6478 1 14 . 1 1 18 18 GLU CB C 363 29.870 29.870 29.398 0.472 18297 6479 1 14 . 1 1 18 18 GLU H H 363 7.783 7.783 7.556 0.227 18297 6480 1 14 . 1 1 19 19 VAL N N 364 120.647 120.647 119.845 0.802 18297 6481 1 14 . 1 1 19 19 VAL HA H 364 3.421 3.421 3.471 -0.050 18297 6482 1 14 . 1 1 19 19 VAL C C 364 177.380 177.380 178.106 -0.726 18297 6483 1 14 . 1 1 19 19 VAL CA C 364 65.433 65.433 66.060 -0.627 18297 6484 1 14 . 1 1 19 19 VAL CB C 364 30.964 30.964 31.251 -0.287 18297 6485 1 14 . 1 1 19 19 VAL H H 364 7.224 7.224 7.360 -0.136 18297 6486 1 14 . 1 1 20 20 LEU N N 365 120.743 120.743 120.162 0.581 18297 6487 1 14 . 1 1 20 20 LEU HA H 365 3.916 3.916 3.868 0.048 18297 6488 1 14 . 1 1 20 20 LEU C C 365 178.974 178.974 178.859 0.115 18297 6489 1 14 . 1 1 20 20 LEU CA C 365 58.612 58.612 58.245 0.367 18297 6490 1 14 . 1 1 20 20 LEU CB C 365 41.425 41.425 41.137 0.288 18297 6491 1 14 . 1 1 20 20 LEU H H 365 7.517 7.517 7.453 0.064 18297 6492 1 14 . 1 1 21 21 ASP N N 366 119.329 119.329 119.393 -0.064 18297 6493 1 14 . 1 1 21 21 ASP HA H 366 4.306 4.306 4.502 -0.196 18297 6494 1 14 . 1 1 21 21 ASP C C 366 177.992 177.992 179.313 -1.321 18297 6495 1 14 . 1 1 21 21 ASP CA C 366 57.405 57.405 58.002 -0.597 18297 6496 1 14 . 1 1 21 21 ASP CB C 366 40.265 40.265 40.887 -0.622 18297 6497 1 14 . 1 1 21 21 ASP H H 366 8.805 8.805 8.060 0.745 18297 6498 1 14 . 1 1 22 22 TYR N N 367 121.643 121.643 120.587 1.056 18297 6499 1 14 . 1 1 22 22 TYR HA H 367 4.305 4.305 4.236 0.069 18297 6500 1 14 . 1 1 22 22 TYR C C 367 177.701 177.701 176.964 0.737 18297 6501 1 14 . 1 1 22 22 TYR CA C 367 61.777 61.777 60.673 1.104 18297 6502 1 14 . 1 1 22 22 TYR CB C 367 38.801 38.801 38.872 -0.071 18297 6503 1 14 . 1 1 22 22 TYR H H 367 7.718 7.718 7.947 -0.229 18297 6504 1 14 . 1 1 23 23 LEU N N 368 118.414 118.414 119.169 -0.755 18297 6505 1 14 . 1 1 23 23 LEU HA H 368 3.910 3.910 4.050 -0.140 18297 6506 1 14 . 1 1 23 23 LEU C C 368 178.019 178.019 177.739 0.280 18297 6507 1 14 . 1 1 23 23 LEU CA C 368 57.773 57.773 57.404 0.369 18297 6508 1 14 . 1 1 23 23 LEU CB C 368 42.032 42.032 42.311 -0.279 18297 6509 1 14 . 1 1 23 23 LEU H H 368 8.060 8.060 7.789 0.271 18297 6510 1 14 . 1 1 24 24 THR N N 369 106.606 106.606 109.964 -3.358 18297 6511 1 14 . 1 1 24 24 THR HA H 369 4.507 4.507 4.329 0.178 18297 6512 1 14 . 1 1 24 24 THR C C 369 176.576 176.576 173.839 2.737 18297 6513 1 14 . 1 1 24 24 THR CA C 369 63.245 63.245 63.190 0.056 18297 6514 1 14 . 1 1 24 24 THR CB C 369 70.517 70.517 70.034 0.483 18297 6515 1 14 . 1 1 24 24 THR H H 369 8.017 8.017 7.664 0.353 18297 6516 1 14 . 1 1 25 25 ASN N N 370 118.847 118.847 119.668 -0.821 18297 6517 1 14 . 1 1 25 25 ASN HA H 370 4.846 4.846 4.897 -0.051 18297 6518 1 14 . 1 1 25 25 ASN C C 370 176.455 176.455 175.117 1.338 18297 6519 1 14 . 1 1 25 25 ASN CA C 370 53.944 53.944 52.364 1.580 18297 6520 1 14 . 1 1 25 25 ASN CB C 370 39.718 39.718 41.499 -1.781 18297 6521 1 14 . 1 1 25 25 ASN H H 370 8.149 8.149 8.417 -0.268 18297 6522 1 14 . 1 1 26 26 SER N N 371 116.888 116.888 118.198 -1.310 18297 6523 1 14 . 1 1 26 26 SER HA H 371 4.375 4.375 4.411 -0.036 18297 6524 1 14 . 1 1 26 26 SER C C 371 176.257 176.257 175.183 1.074 18297 6525 1 14 . 1 1 26 26 SER CA C 371 59.603 59.603 61.073 -1.470 18297 6526 1 14 . 1 1 26 26 SER CB C 371 63.792 63.792 63.657 0.135 18297 6527 1 14 . 1 1 26 26 SER H H 371 7.889 7.889 8.728 -0.839 18297 6528 1 14 . 1 1 27 27 ALA N N 372 128.743 128.743 121.206 7.537 18297 6529 1 14 . 1 1 27 27 ALA HA H 372 4.228 4.228 4.406 -0.178 18297 6530 1 14 . 1 1 27 27 ALA C C 372 178.538 178.538 179.914 -1.376 18297 6531 1 14 . 1 1 27 27 ALA CA C 372 54.491 54.491 53.798 0.693 18297 6532 1 14 . 1 1 27 27 ALA CB C 372 18.772 18.772 18.322 0.450 18297 6533 1 14 . 1 1 27 27 ALA H H 372 8.836 8.836 8.357 0.479 18297 6534 1 14 . 1 1 28 28 SER N N 373 110.751 110.751 114.678 -3.927 18297 6535 1 14 . 1 1 28 28 SER HA H 373 4.426 4.426 4.373 0.053 18297 6536 1 14 . 1 1 28 28 SER C C 373 174.548 174.548 175.529 -0.981 18297 6537 1 14 . 1 1 28 28 SER CA C 373 59.415 59.415 60.505 -1.089 18297 6538 1 14 . 1 1 28 28 SER CB C 373 63.394 63.394 62.832 0.562 18297 6539 1 14 . 1 1 28 28 SER H H 373 8.069 8.069 8.345 -0.276 18297 6540 1 14 . 1 1 29 29 LEU N N 374 122.012 122.012 120.029 1.983 18297 6541 1 14 . 1 1 29 29 LEU HA H 374 4.465 4.465 4.449 0.016 18297 6542 1 14 . 1 1 29 29 LEU C C 374 175.716 175.716 176.632 -0.916 18297 6543 1 14 . 1 1 29 29 LEU CA C 374 56.132 56.132 53.846 2.287 18297 6544 1 14 . 1 1 29 29 LEU CB C 374 44.295 44.295 41.531 2.764 18297 6545 1 14 . 1 1 29 29 LEU H H 374 7.547 7.547 7.967 -0.420 18297 6546 1 14 . 1 1 30 30 GLN N N 375 116.052 116.052 118.567 -2.515 18297 6547 1 14 . 1 1 30 30 GLN HA H 375 4.003 4.003 4.035 -0.032 18297 6548 1 14 . 1 1 30 30 GLN C C 375 175.498 175.498 176.680 -1.182 18297 6549 1 14 . 1 1 30 30 GLN CA C 375 56.434 56.434 58.266 -1.831 18297 6550 1 14 . 1 1 30 30 GLN CB C 375 27.948 27.948 28.127 -0.178 18297 6551 1 14 . 1 1 30 30 GLN H H 375 8.060 8.060 7.531 0.529 18297 6552 1 14 . 1 1 31 31 MET N N 376 117.691 117.691 116.051 1.640 18297 6553 1 14 . 1 1 31 31 MET HA H 376 4.283 4.283 4.611 -0.328 18297 6554 1 14 . 1 1 31 31 MET C C 376 175.843 175.843 176.474 -0.631 18297 6555 1 14 . 1 1 31 31 MET CA C 376 57.728 57.728 56.344 1.384 18297 6556 1 14 . 1 1 31 31 MET CB C 376 33.451 33.451 33.148 0.303 18297 6557 1 14 . 1 1 31 31 MET H H 376 8.211 8.211 7.990 0.221 18297 6558 1 14 . 1 1 32 32 LYS N N 377 122.028 122.028 120.252 1.776 18297 6559 1 14 . 1 1 32 32 LYS HA H 377 4.414 4.414 4.295 0.119 18297 6560 1 14 . 1 1 32 32 LYS C C 377 177.837 177.837 176.500 1.337 18297 6561 1 14 . 1 1 32 32 LYS CA C 377 58.052 58.052 56.371 1.681 18297 6562 1 14 . 1 1 32 32 LYS CB C 377 34.994 34.994 32.420 2.574 18297 6563 1 14 . 1 1 32 32 LYS H H 377 9.461 9.461 8.165 1.296 18297 6564 1 14 . 1 1 33 33 SER N N 378 115.056 115.056 116.278 -1.222 18297 6565 1 14 . 1 1 33 33 SER HA H 378 4.650 4.650 4.379 0.271 18297 6566 1 14 . 1 1 33 33 SER C C 378 172.026 172.026 173.190 -1.164 18297 6567 1 14 . 1 1 33 33 SER CA C 378 55.038 55.038 56.225 -1.187 18297 6568 1 14 . 1 1 33 33 SER CB C 378 62.908 62.908 63.415 -0.507 18297 6569 1 14 . 1 1 33 33 SER H H 378 10.101 10.101 7.398 2.703 18297 6570 1 14 . 1 1 34 34 PRO HA H 379 5.043 5.043 4.476 0.567 18297 6571 1 14 . 1 1 34 34 PRO C C 379 175.422 175.422 175.361 0.061 18297 6572 1 14 . 1 1 34 34 PRO CA C 379 63.792 63.792 63.116 0.676 18297 6573 1 14 . 1 1 34 34 PRO CB C 379 33.703 33.703 32.448 1.255 18297 6574 1 14 . 1 1 35 35 ALA N N 380 121.498 121.498 123.042 -1.544 18297 6575 1 14 . 1 1 35 35 ALA HA H 380 5.137 5.137 4.841 0.295 18297 6576 1 14 . 1 1 35 35 ALA C C 380 177.313 177.313 175.809 1.504 18297 6577 1 14 . 1 1 35 35 ALA CA C 380 50.661 50.661 50.648 0.013 18297 6578 1 14 . 1 1 35 35 ALA CB C 380 22.118 22.118 22.441 -0.323 18297 6579 1 14 . 1 1 35 35 ALA H H 380 8.894 8.894 8.897 -0.003 18297 6580 1 14 . 1 1 36 36 ILE N N 381 120.470 120.470 123.768 -3.298 18297 6581 1 14 . 1 1 36 36 ILE HA H 381 4.967 4.967 4.678 0.289 18297 6582 1 14 . 1 1 36 36 ILE C C 381 175.314 175.314 175.510 -0.196 18297 6583 1 14 . 1 1 36 36 ILE CA C 381 61.056 61.056 60.366 0.690 18297 6584 1 14 . 1 1 36 36 ILE CB C 381 41.364 41.364 39.592 1.772 18297 6585 1 14 . 1 1 36 36 ILE H H 381 9.038 9.038 8.797 0.241 18297 6586 1 14 . 1 1 37 37 THR N N 382 123.297 123.297 123.874 -0.577 18297 6587 1 14 . 1 1 37 37 THR HA H 382 5.252 5.252 5.092 0.160 18297 6588 1 14 . 1 1 37 37 THR C C 382 172.289 172.289 172.519 -0.230 18297 6589 1 14 . 1 1 37 37 THR CA C 382 60.977 60.977 61.050 -0.073 18297 6590 1 14 . 1 1 37 37 THR CB C 382 71.919 71.919 71.657 0.262 18297 6591 1 14 . 1 1 37 37 THR H H 382 9.363 9.363 9.200 0.163 18297 6592 1 14 . 1 1 38 38 ALA N N 383 123.340 123.340 127.006 -3.666 18297 6593 1 14 . 1 1 38 38 ALA HA H 383 4.935 4.935 4.882 0.053 18297 6594 1 14 . 1 1 38 38 ALA C C 383 175.743 175.743 175.348 0.395 18297 6595 1 14 . 1 1 38 38 ALA CA C 383 51.147 51.147 50.346 0.801 18297 6596 1 14 . 1 1 38 38 ALA CB C 383 22.758 22.758 22.595 0.163 18297 6597 1 14 . 1 1 38 38 ALA H H 383 8.896 8.896 9.259 -0.363 18297 6598 1 14 . 1 1 39 39 THR N N 384 118.815 118.815 118.858 -0.043 18297 6599 1 14 . 1 1 39 39 THR HA H 384 4.892 4.892 5.150 -0.258 18297 6600 1 14 . 1 1 39 39 THR C C 384 174.098 174.098 173.887 0.211 18297 6601 1 14 . 1 1 39 39 THR CA C 384 62.310 62.310 62.334 -0.024 18297 6602 1 14 . 1 1 39 39 THR CB C 384 69.263 69.263 69.527 -0.264 18297 6603 1 14 . 1 1 39 39 THR H H 384 8.968 8.968 8.742 0.226 18297 6604 1 14 . 1 1 40 40 LEU N N 385 128.711 128.711 127.733 0.978 18297 6605 1 14 . 1 1 40 40 LEU HA H 385 4.791 4.791 4.697 0.094 18297 6606 1 14 . 1 1 40 40 LEU C C 385 176.479 176.479 175.869 0.610 18297 6607 1 14 . 1 1 40 40 LEU CA C 385 53.944 53.944 53.948 -0.004 18297 6608 1 14 . 1 1 40 40 LEU CB C 385 44.966 44.966 44.571 0.395 18297 6609 1 14 . 1 1 40 40 LEU H H 385 8.667 8.667 9.120 -0.453 18297 6610 1 14 . 1 1 41 41 GLU N N 386 124.470 124.470 127.275 -2.805 18297 6611 1 14 . 1 1 41 41 GLU HA H 386 3.936 3.936 3.913 0.023 18297 6612 1 14 . 1 1 41 41 GLU C C 386 176.878 176.878 176.303 0.575 18297 6613 1 14 . 1 1 41 41 GLU CA C 386 57.226 57.226 56.555 0.671 18297 6614 1 14 . 1 1 41 41 GLU CB C 386 27.735 27.735 29.117 -1.382 18297 6615 1 14 . 1 1 41 41 GLU H H 386 9.547 9.547 9.341 0.206 18297 6616 1 14 . 1 1 42 42 GLY N N 387 104.068 104.068 104.228 -0.160 18297 6617 1 14 . 1 1 42 42 GLY C C 387 173.993 173.993 173.658 0.335 18297 6618 1 14 . 1 1 42 42 GLY CA C 387 45.596 45.596 44.868 0.728 18297 6619 1 14 . 1 1 42 42 GLY H H 387 8.578 8.578 8.263 0.315 18297 6620 1 14 . 1 1 43 43 LYS N N 388 120.422 120.422 121.707 -1.285 18297 6621 1 14 . 1 1 43 43 LYS HA H 388 4.701 4.701 4.539 0.162 18297 6622 1 14 . 1 1 43 43 LYS C C 388 175.054 175.054 174.984 0.070 18297 6623 1 14 . 1 1 43 43 LYS CA C 388 54.491 54.491 54.918 -0.427 18297 6624 1 14 . 1 1 43 43 LYS CB C 388 34.968 34.968 34.616 0.352 18297 6625 1 14 . 1 1 43 43 LYS H H 388 7.826 7.826 7.822 0.004 18297 6626 1 14 . 1 1 44 44 ASN N N 389 122.606 122.606 123.033 -0.427 18297 6627 1 14 . 1 1 44 44 ASN HA H 389 4.895 4.895 5.289 -0.394 18297 6628 1 14 . 1 1 44 44 ASN C C 389 174.905 174.905 174.650 0.255 18297 6629 1 14 . 1 1 44 44 ASN CA C 389 53.944 53.944 53.286 0.658 18297 6630 1 14 . 1 1 44 44 ASN CB C 389 39.229 39.229 39.754 -0.525 18297 6631 1 14 . 1 1 44 44 ASN H H 389 8.827 8.827 8.803 0.024 18297 6632 1 14 . 1 1 45 45 ARG N N 390 125.867 125.867 126.871 -1.004 18297 6633 1 14 . 1 1 45 45 ARG HA H 390 4.756 4.756 4.640 0.116 18297 6634 1 14 . 1 1 45 45 ARG C C 390 175.224 175.224 174.887 0.337 18297 6635 1 14 . 1 1 45 45 ARG CA C 390 54.491 54.491 53.990 0.501 18297 6636 1 14 . 1 1 45 45 ARG CB C 390 32.973 32.973 31.759 1.214 18297 6637 1 14 . 1 1 45 45 ARG H H 390 9.220 9.220 9.135 0.085 18297 6638 1 14 . 1 1 46 46 THR N N 391 122.574 122.574 120.331 2.243 18297 6639 1 14 . 1 1 46 46 THR HA H 391 4.289 4.289 4.367 -0.078 18297 6640 1 14 . 1 1 46 46 THR C C 391 174.010 174.010 174.593 -0.583 18297 6641 1 14 . 1 1 46 46 THR CA C 391 63.509 63.509 62.588 0.921 18297 6642 1 14 . 1 1 46 46 THR CB C 391 68.716 68.716 69.298 -0.582 18297 6643 1 14 . 1 1 46 46 THR H H 391 8.940 8.940 8.688 0.252 18297 6644 1 14 . 1 1 47 47 LEU N N 392 128.647 128.647 128.256 0.391 18297 6645 1 14 . 1 1 47 47 LEU HA H 392 4.339 4.339 4.480 -0.141 18297 6646 1 14 . 1 1 47 47 LEU C C 392 176.670 176.670 176.246 0.424 18297 6647 1 14 . 1 1 47 47 LEU CA C 392 56.132 56.132 56.113 0.019 18297 6648 1 14 . 1 1 47 47 LEU CB C 392 42.678 42.678 42.827 -0.149 18297 6649 1 14 . 1 1 47 47 LEU H H 392 9.096 9.096 8.952 0.144 18297 6650 1 14 . 1 1 48 48 TYR N N 393 113.514 113.514 117.835 -4.321 18297 6651 1 14 . 1 1 48 48 TYR HA H 393 4.618 4.618 4.497 0.121 18297 6652 1 14 . 1 1 48 48 TYR C C 393 173.455 173.455 175.813 -2.358 18297 6653 1 14 . 1 1 48 48 TYR CA C 393 59.415 59.415 58.700 0.715 18297 6654 1 14 . 1 1 48 48 TYR CB C 393 41.384 41.384 41.631 -0.247 18297 6655 1 14 . 1 1 48 48 TYR H H 393 7.562 7.562 7.741 -0.179 18297 6656 1 14 . 1 1 57 57 GLU N N 402 128.181 128.181 117.244 10.937 18297 6657 1 14 . 1 1 57 57 GLU H H 402 8.645 8.645 8.605 0.040 18297 6658 1 14 . 1 1 58 58 ARG N N 403 117.080 117.080 120.553 -3.473 18297 6659 1 14 . 1 1 58 58 ARG HA H 403 4.302 4.302 4.262 0.040 18297 6660 1 14 . 1 1 58 58 ARG CA C 403 58.321 58.321 58.542 -0.221 18297 6661 1 14 . 1 1 58 58 ARG CB C 403 31.165 31.165 30.661 0.504 18297 6662 1 14 . 1 1 58 58 ARG H H 403 8.278 8.278 8.760 -0.482 18297 6663 1 14 . 1 1 59 59 THR N N 404 108.390 108.390 106.864 1.526 18297 6664 1 14 . 1 1 59 59 THR HA H 404 4.932 4.932 4.708 0.224 18297 6665 1 14 . 1 1 59 59 THR H H 404 8.301 8.301 7.853 0.448 18297 6666 1 14 . 1 1 60 60 ARG N N 405 126.639 126.639 122.513 4.126 18297 6667 1 14 . 1 1 60 60 ARG H H 405 8.549 8.549 8.077 0.472 18297 6668 1 14 . 1 1 61 61 PRO HA H 406 4.431 4.431 4.415 0.016 18297 6669 1 14 . 1 1 61 61 PRO C C 406 178.434 178.434 177.691 0.743 18297 6670 1 14 . 1 1 61 61 PRO CA C 406 65.980 65.980 64.806 1.174 18297 6671 1 14 . 1 1 61 61 PRO CB C 406 31.348 31.348 32.284 -0.936 18297 6672 1 14 . 1 1 62 62 ASN N N 407 114.574 114.574 117.408 -2.834 18297 6673 1 14 . 1 1 62 62 ASN HA H 407 4.390 4.390 4.488 -0.098 18297 6674 1 14 . 1 1 62 62 ASN C C 407 177.863 177.863 177.770 0.093 18297 6675 1 14 . 1 1 62 62 ASN CA C 407 55.308 55.308 55.779 -0.471 18297 6676 1 14 . 1 1 62 62 ASN CB C 407 37.530 37.530 37.647 -0.117 18297 6677 1 14 . 1 1 62 62 ASN H H 407 8.481 8.481 8.432 0.049 18297 6678 1 14 . 1 1 63 63 LEU N N 408 115.667 115.667 117.888 -2.221 18297 6679 1 14 . 1 1 63 63 LEU HA H 408 3.861 3.861 4.242 -0.381 18297 6680 1 14 . 1 1 63 63 LEU C C 408 177.708 177.708 178.317 -0.609 18297 6681 1 14 . 1 1 63 63 LEU CA C 408 57.667 57.667 57.071 0.597 18297 6682 1 14 . 1 1 63 63 LEU CB C 408 41.706 41.706 41.643 0.063 18297 6683 1 14 . 1 1 63 63 LEU H H 408 8.022 8.022 8.238 -0.216 18297 6684 1 14 . 1 1 64 64 SER N N 409 109.209 109.209 111.715 -2.506 18297 6685 1 14 . 1 1 64 64 SER HA H 409 4.588 4.588 4.407 0.181 18297 6686 1 14 . 1 1 64 64 SER C C 409 173.870 173.870 174.172 -0.302 18297 6687 1 14 . 1 1 64 64 SER CA C 409 58.321 58.321 58.639 -0.318 18297 6688 1 14 . 1 1 64 64 SER CB C 409 63.855 63.855 63.424 0.431 18297 6689 1 14 . 1 1 64 64 SER H H 409 7.232 7.232 7.558 -0.326 18297 6690 1 14 . 1 1 65 65 LYS N N 410 122.735 122.735 120.641 2.094 18297 6691 1 14 . 1 1 65 65 LYS HA H 410 4.609 4.609 4.541 0.068 18297 6692 1 14 . 1 1 65 65 LYS C C 410 175.946 175.946 176.340 -0.394 18297 6693 1 14 . 1 1 65 65 LYS CA C 410 55.463 55.463 53.823 1.640 18297 6694 1 14 . 1 1 65 65 LYS CB C 410 34.422 34.422 33.932 0.490 18297 6695 1 14 . 1 1 65 65 LYS H H 410 7.543 7.543 7.192 0.351 18297 6696 1 14 . 1 1 66 66 THR N N 411 110.944 110.944 110.718 0.226 18297 6697 1 14 . 1 1 66 66 THR HA H 411 5.003 5.003 4.875 0.128 18297 6698 1 14 . 1 1 66 66 THR C C 411 176.038 176.038 176.519 -0.481 18297 6699 1 14 . 1 1 66 66 THR CA C 411 60.221 60.221 60.459 -0.238 18297 6700 1 14 . 1 1 66 66 THR CB C 411 70.956 70.956 70.943 0.013 18297 6701 1 14 . 1 1 66 66 THR H H 411 8.980 8.980 8.108 0.872 18297 6702 1 14 . 1 1 67 67 LEU N N 412 118.076 118.076 121.052 -2.976 18297 6703 1 14 . 1 1 67 67 LEU HA H 412 3.961 3.961 4.001 -0.040 18297 6704 1 14 . 1 1 67 67 LEU C C 412 179.227 179.227 178.875 0.352 18297 6705 1 14 . 1 1 67 67 LEU CA C 412 58.321 58.321 58.712 -0.391 18297 6706 1 14 . 1 1 67 67 LEU CB C 412 39.914 39.914 41.499 -1.585 18297 6707 1 14 . 1 1 67 67 LEU H H 412 8.434 8.434 8.865 -0.431 18297 6708 1 14 . 1 1 68 68 LYS N N 413 116.373 116.373 119.805 -3.432 18297 6709 1 14 . 1 1 68 68 LYS HA H 413 4.285 4.285 3.904 0.381 18297 6710 1 14 . 1 1 68 68 LYS C C 413 181.338 181.338 179.451 1.887 18297 6711 1 14 . 1 1 68 68 LYS CA C 413 58.868 58.868 59.224 -0.356 18297 6712 1 14 . 1 1 68 68 LYS CB C 413 32.606 32.606 32.188 0.418 18297 6713 1 14 . 1 1 68 68 LYS H H 413 8.171 8.171 7.657 0.514 18297 6714 1 14 . 1 1 69 69 GLU N N 414 123.731 123.731 118.745 4.986 18297 6715 1 14 . 1 1 69 69 GLU HA H 414 4.072 4.072 4.060 0.012 18297 6716 1 14 . 1 1 69 69 GLU C C 414 179.202 179.202 177.996 1.206 18297 6717 1 14 . 1 1 69 69 GLU CA C 414 58.868 58.868 58.462 0.406 18297 6718 1 14 . 1 1 69 69 GLU CB C 414 29.566 29.566 29.555 0.011 18297 6719 1 14 . 1 1 69 69 GLU H H 414 8.326 8.326 7.634 0.692 18297 6720 1 14 . 1 1 70 70 LEU N N 415 119.008 119.008 116.632 2.376 18297 6721 1 14 . 1 1 70 70 LEU HA H 415 4.218 4.218 4.189 0.029 18297 6722 1 14 . 1 1 70 70 LEU C C 415 176.505 176.505 177.132 -0.627 18297 6723 1 14 . 1 1 70 70 LEU CA C 415 55.822 55.822 55.005 0.817 18297 6724 1 14 . 1 1 70 70 LEU CB C 415 43.012 43.012 42.031 0.981 18297 6725 1 14 . 1 1 70 70 LEU H H 415 7.993 7.993 7.509 0.484 18297 6726 1 14 . 1 1 71 71 GLY N N 416 105.578 105.578 105.975 -0.397 18297 6727 1 14 . 1 1 71 71 GLY C C 416 174.505 174.505 174.667 -0.162 18297 6728 1 14 . 1 1 71 71 GLY CA C 416 45.191 45.191 44.919 0.272 18297 6729 1 14 . 1 1 71 71 GLY H H 416 7.880 7.880 7.586 0.294 18297 6730 1 14 . 1 1 72 72 LEU N N 417 119.201 119.201 121.833 -2.632 18297 6731 1 14 . 1 1 72 72 LEU HA H 417 4.599 4.599 4.629 -0.030 18297 6732 1 14 . 1 1 72 72 LEU C C 417 176.208 176.208 176.403 -0.195 18297 6733 1 14 . 1 1 72 72 LEU CA C 417 54.815 54.815 54.751 0.064 18297 6734 1 14 . 1 1 72 72 LEU CB C 417 41.867 41.867 42.985 -1.118 18297 6735 1 14 . 1 1 72 72 LEU H H 417 7.466 7.466 7.543 -0.077 18297 6736 1 14 . 1 1 73 73 VAL N N 418 112.871 112.871 116.499 -3.628 18297 6737 1 14 . 1 1 73 73 VAL HA H 418 4.782 4.782 4.467 0.315 18297 6738 1 14 . 1 1 73 73 VAL C C 418 174.804 174.804 175.025 -0.221 18297 6739 1 14 . 1 1 73 73 VAL CA C 418 59.070 59.070 59.178 -0.108 18297 6740 1 14 . 1 1 73 73 VAL CB C 418 35.557 35.557 34.927 0.630 18297 6741 1 14 . 1 1 73 73 VAL H H 418 8.003 8.003 8.137 -0.134 18297 6742 1 14 . 1 1 74 74 ASP N N 419 119.972 119.972 120.174 -0.202 18297 6743 1 14 . 1 1 74 74 ASP HA H 419 3.593 3.593 4.742 -1.149 18297 6744 1 14 . 1 1 74 74 ASP C C 419 177.545 177.545 177.136 0.409 18297 6745 1 14 . 1 1 74 74 ASP CA C 419 56.419 56.419 55.068 1.351 18297 6746 1 14 . 1 1 74 74 ASP CB C 419 42.035 42.035 40.831 1.204 18297 6747 1 14 . 1 1 74 74 ASP H H 419 8.250 8.250 8.520 -0.270 18297 6748 1 14 . 1 1 75 75 GLY N N 420 116.020 116.020 111.979 4.041 18297 6749 1 14 . 1 1 75 75 GLY C C 420 173.763 173.763 174.586 -0.823 18297 6750 1 14 . 1 1 75 75 GLY CA C 420 45.354 45.354 44.669 0.685 18297 6751 1 14 . 1 1 75 75 GLY H H 420 8.704 8.704 8.595 0.109 18297 6752 1 14 . 1 1 76 76 GLN N N 421 121.514 121.514 120.889 0.625 18297 6753 1 14 . 1 1 76 76 GLN HA H 421 4.048 4.048 4.203 -0.155 18297 6754 1 14 . 1 1 76 76 GLN C C 421 175.023 175.023 174.574 0.449 18297 6755 1 14 . 1 1 76 76 GLN CA C 421 56.709 56.709 55.803 0.906 18297 6756 1 14 . 1 1 76 76 GLN CB C 421 29.511 29.511 29.663 -0.152 18297 6757 1 14 . 1 1 76 76 GLN H H 421 7.867 7.867 7.442 0.425 18297 6758 1 14 . 1 1 77 77 GLU N N 422 123.859 123.859 125.286 -1.427 18297 6759 1 14 . 1 1 77 77 GLU HA H 422 5.186 5.186 4.789 0.397 18297 6760 1 14 . 1 1 77 77 GLU C C 422 176.877 176.877 175.811 1.066 18297 6761 1 14 . 1 1 77 77 GLU CA C 422 55.786 55.786 55.837 -0.051 18297 6762 1 14 . 1 1 77 77 GLU CB C 422 31.509 31.509 30.421 1.088 18297 6763 1 14 . 1 1 77 77 GLU H H 422 8.568 8.568 8.637 -0.069 18297 6764 1 14 . 1 1 78 78 LEU N N 423 125.867 125.867 125.909 -0.042 18297 6765 1 14 . 1 1 78 78 LEU HA H 423 5.080 5.080 4.547 0.533 18297 6766 1 14 . 1 1 78 78 LEU C C 423 174.470 174.470 175.554 -1.084 18297 6767 1 14 . 1 1 78 78 LEU CA C 423 53.686 53.686 53.747 -0.061 18297 6768 1 14 . 1 1 78 78 LEU CB C 423 44.966 44.966 44.135 0.831 18297 6769 1 14 . 1 1 78 78 LEU H H 423 9.313 9.313 9.156 0.157 18297 6770 1 14 . 1 1 79 79 ALA N N 424 126.044 126.044 126.668 -0.624 18297 6771 1 14 . 1 1 79 79 ALA HA H 424 5.206 5.206 4.783 0.423 18297 6772 1 14 . 1 1 79 79 ALA C C 424 176.786 176.786 175.756 1.030 18297 6773 1 14 . 1 1 79 79 ALA CA C 424 51.049 51.049 50.759 0.290 18297 6774 1 14 . 1 1 79 79 ALA CB C 424 20.453 20.453 20.399 0.054 18297 6775 1 14 . 1 1 79 79 ALA H H 424 8.918 8.918 9.179 -0.261 18297 6776 1 14 . 1 1 80 80 VAL N N 425 124.759 124.759 124.566 0.193 18297 6777 1 14 . 1 1 80 80 VAL HA H 425 5.344 5.344 5.231 0.113 18297 6778 1 14 . 1 1 80 80 VAL C C 425 173.757 173.757 175.272 -1.515 18297 6779 1 14 . 1 1 80 80 VAL CA C 425 60.886 60.886 60.486 0.400 18297 6780 1 14 . 1 1 80 80 VAL CB C 425 34.908 34.908 34.017 0.891 18297 6781 1 14 . 1 1 80 80 VAL H H 425 9.357 9.357 8.985 0.372 18297 6782 1 14 . 1 1 81 81 ALA N N 426 129.353 129.353 129.637 -0.284 18297 6783 1 14 . 1 1 81 81 ALA HA H 426 5.045 5.045 4.880 0.165 18297 6784 1 14 . 1 1 81 81 ALA C C 426 175.938 175.938 175.133 0.805 18297 6785 1 14 . 1 1 81 81 ALA CA C 426 50.133 50.133 49.851 0.282 18297 6786 1 14 . 1 1 81 81 ALA CB C 426 22.758 22.758 22.990 -0.232 18297 6787 1 14 . 1 1 81 81 ALA H H 426 8.502 8.502 9.324 -0.822 18297 6788 1 14 . 1 1 82 82 ASP N N 427 120.165 120.165 121.285 -1.120 18297 6789 1 14 . 1 1 82 82 ASP HA H 427 5.100 5.100 5.019 0.081 18297 6790 1 14 . 1 1 82 82 ASP C C 427 176.669 176.669 176.240 0.429 18297 6791 1 14 . 1 1 82 82 ASP CA C 427 54.491 54.491 52.417 2.074 18297 6792 1 14 . 1 1 82 82 ASP CB C 427 46.891 46.891 44.617 2.274 18297 6793 1 14 . 1 1 82 82 ASP H H 427 8.906 8.906 8.165 0.741 18297 6794 1 14 . 1 1 83 83 VAL N N 428 119.201 119.201 116.704 2.497 18297 6795 1 14 . 1 1 83 83 VAL HA H 428 4.153 4.153 4.220 -0.067 18297 6796 1 14 . 1 1 83 83 VAL C C 428 177.085 177.085 176.817 0.268 18297 6797 1 14 . 1 1 83 83 VAL CA C 428 63.992 63.992 64.400 -0.408 18297 6798 1 14 . 1 1 83 83 VAL CB C 428 31.772 31.772 31.694 0.078 18297 6799 1 14 . 1 1 83 83 VAL H H 428 8.114 8.114 8.634 -0.520 18297 6800 1 14 . 1 1 84 84 THR N N 429 110.173 110.173 112.221 -2.048 18297 6801 1 14 . 1 1 84 84 THR HA H 429 4.235 4.235 4.515 -0.280 18297 6802 1 14 . 1 1 84 84 THR C C 429 174.905 174.905 174.986 -0.081 18297 6803 1 14 . 1 1 84 84 THR CA C 429 63.533 63.533 62.672 0.862 18297 6804 1 14 . 1 1 84 84 THR CB C 429 70.613 70.613 69.531 1.082 18297 6805 1 14 . 1 1 84 84 THR H H 429 7.899 7.899 8.908 -1.009 18297 6806 1 14 . 1 1 85 85 THR N N 430 116.438 116.438 115.259 1.179 18297 6807 1 14 . 1 1 85 85 THR HA H 430 5.132 5.132 4.904 0.228 18297 6808 1 14 . 1 1 85 85 THR C C 430 173.160 173.160 172.730 0.430 18297 6809 1 14 . 1 1 85 85 THR CA C 430 57.863 57.863 58.715 -0.853 18297 6810 1 14 . 1 1 85 85 THR CB C 430 71.050 71.050 70.718 0.332 18297 6811 1 14 . 1 1 85 85 THR H H 430 7.810 7.810 8.247 -0.437 18297 6812 1 14 . 1 1 86 86 PRO HA H 431 4.582 4.582 4.459 0.123 18297 6813 1 14 . 1 1 86 86 PRO CA C 431 64.086 64.086 63.310 0.776 18297 6814 1 14 . 1 1 86 86 PRO CB C 431 31.995 31.995 32.195 -0.200 18297 6815 1 14 . 1 1 87 87 GLN N N 432 117.241 117.241 119.040 -1.799 18297 6816 1 14 . 1 1 87 87 GLN HA H 432 4.618 4.618 4.259 0.359 18297 6817 1 14 . 1 1 87 87 GLN C C 432 175.653 175.653 175.482 0.171 18297 6818 1 14 . 1 1 87 87 GLN CA C 432 54.491 54.491 55.992 -1.501 18297 6819 1 14 . 1 1 87 87 GLN CB C 432 30.799 30.799 28.865 1.934 18297 6820 1 14 . 1 1 87 87 GLN H H 432 7.786 7.786 7.789 -0.003 18297 6821 1 14 . 1 1 88 88 THR N N 433 119.651 119.651 118.008 1.643 18297 6822 1 14 . 1 1 88 88 THR HA H 433 4.440 4.440 4.961 -0.521 18297 6823 1 14 . 1 1 88 88 THR C C 433 173.939 173.939 174.413 -0.474 18297 6824 1 14 . 1 1 88 88 THR CA C 433 63.792 63.792 60.835 2.957 18297 6825 1 14 . 1 1 88 88 THR CB C 433 70.357 70.357 69.760 0.597 18297 6826 1 14 . 1 1 88 88 THR H H 433 8.460 8.460 8.355 0.105 18297 6827 1 14 . 1 1 89 89 VAL N N 434 128.068 128.068 124.811 3.257 18297 6828 1 14 . 1 1 89 89 VAL HA H 434 4.153 4.153 4.741 -0.588 18297 6829 1 14 . 1 1 89 89 VAL C C 434 174.083 174.083 174.286 -0.203 18297 6830 1 14 . 1 1 89 89 VAL CA C 434 61.827 61.827 59.886 1.942 18297 6831 1 14 . 1 1 89 89 VAL CB C 434 33.937 33.937 33.611 0.326 18297 6832 1 14 . 1 1 89 89 VAL H H 434 9.275 9.275 8.771 0.504 18297 6833 1 14 . 1 1 90 90 LEU N N 435 125.755 125.755 123.948 1.807 18297 6834 1 14 . 1 1 90 90 LEU HA H 435 5.304 5.304 5.368 -0.064 18297 6835 1 14 . 1 1 90 90 LEU C C 435 176.455 176.455 176.042 0.413 18297 6836 1 14 . 1 1 90 90 LEU CA C 435 53.396 53.396 53.253 0.143 18297 6837 1 14 . 1 1 90 90 LEU CB C 435 44.023 44.023 44.014 0.009 18297 6838 1 14 . 1 1 90 90 LEU H H 435 8.169 8.169 8.339 -0.170 18297 6839 1 14 . 1 1 91 91 PHE N N 436 120.743 120.743 121.832 -1.089 18297 6840 1 14 . 1 1 91 91 PHE HA H 436 5.314 5.314 5.728 -0.414 18297 6841 1 14 . 1 1 91 91 PHE C C 436 174.788 174.788 175.101 -0.313 18297 6842 1 14 . 1 1 91 91 PHE CA C 436 56.327 56.327 56.138 0.189 18297 6843 1 14 . 1 1 91 91 PHE CB C 436 43.330 43.330 43.319 0.011 18297 6844 1 14 . 1 1 91 91 PHE H H 436 9.222 9.222 9.290 -0.068 18297 6845 1 14 . 1 1 92 92 LYS N N 437 123.120 123.120 123.269 -0.149 18297 6846 1 14 . 1 1 92 92 LYS HA H 437 4.708 4.708 5.312 -0.604 18297 6847 1 14 . 1 1 92 92 LYS C C 437 174.606 174.606 174.975 -0.369 18297 6848 1 14 . 1 1 92 92 LYS CA C 437 55.139 55.139 55.222 -0.083 18297 6849 1 14 . 1 1 92 92 LYS CB C 437 34.269 34.269 34.960 -0.691 18297 6850 1 14 . 1 1 92 92 LYS H H 437 8.908 8.908 9.203 -0.295 18297 6851 1 14 . 1 1 93 93 LEU N N 438 128.422 128.422 126.670 1.752 18297 6852 1 14 . 1 1 93 93 LEU HA H 438 4.480 4.480 4.896 -0.416 18297 6853 1 14 . 1 1 93 93 LEU C C 438 175.327 175.327 174.695 0.632 18297 6854 1 14 . 1 1 93 93 LEU CA C 438 55.139 55.139 53.432 1.706 18297 6855 1 14 . 1 1 93 93 LEU CB C 438 43.976 43.976 43.305 0.671 18297 6856 1 14 . 1 1 93 93 LEU H H 438 8.755 8.755 8.530 0.225 18297 6857 1 14 . 1 1 94 94 HIS N N 439 123.859 123.859 126.543 -2.684 18297 6858 1 14 . 1 1 94 94 HIS HA H 439 5.180 5.180 4.851 0.329 18297 6859 1 14 . 1 1 94 94 HIS C C 439 174.297 174.297 173.640 0.657 18297 6860 1 14 . 1 1 94 94 HIS CA C 439 53.396 53.396 54.199 -0.803 18297 6861 1 14 . 1 1 94 94 HIS CB C 439 30.786 30.786 32.897 -2.111 18297 6862 1 14 . 1 1 94 94 HIS H H 439 8.891 8.891 9.254 -0.363 18297 6863 1 14 . 1 1 95 95 PHE N N 440 123.544 123.544 124.039 -0.495 18297 6864 1 14 . 1 1 95 95 PHE HA H 440 6.231 6.231 5.721 0.510 18297 6865 1 14 . 1 1 95 95 PHE C C 440 178.229 178.229 176.520 1.709 18297 6866 1 14 . 1 1 95 95 PHE CA C 440 53.690 53.690 57.428 -3.738 18297 6867 1 14 . 1 1 95 95 PHE CB C 440 39.477 39.477 40.225 -0.748 18297 6868 1 14 . 1 1 95 95 PHE H H 440 8.896 8.896 8.883 0.013 18297 6869 1 14 . 1 1 96 96 THR N N 441 114.382 114.382 120.156 -5.774 18297 6870 1 14 . 1 1 96 96 THR HA H 441 4.617 4.617 4.684 -0.067 18297 6871 1 14 . 1 1 96 96 THR C C 441 173.867 173.867 173.508 0.359 18297 6872 1 14 . 1 1 96 96 THR CA C 441 61.327 61.327 61.253 0.074 18297 6873 1 14 . 1 1 96 96 THR CB C 441 69.561 69.561 70.386 -0.825 18297 6874 1 14 . 1 1 96 96 THR H H 441 7.973 7.973 8.986 -1.013 18297 6875 1 15 . 1 1 2 2 SER HA H 347 4.570 4.570 4.732 -0.162 18297 6876 1 15 . 1 1 2 2 SER C C 347 174.335 174.335 174.976 -0.641 18297 6877 1 15 . 1 1 2 2 SER CA C 347 58.350 58.350 57.742 0.608 18297 6878 1 15 . 1 1 2 2 SER CB C 347 63.999 63.999 65.920 -1.921 18297 6879 1 15 . 1 1 3 3 GLN N N 348 122.478 122.478 121.828 0.650 18297 6880 1 15 . 1 1 3 3 GLN HA H 348 4.430 4.430 4.408 0.022 18297 6881 1 15 . 1 1 3 3 GLN C C 348 175.651 175.651 175.747 -0.096 18297 6882 1 15 . 1 1 3 3 GLN CA C 348 55.743 55.743 56.313 -0.570 18297 6883 1 15 . 1 1 3 3 GLN CB C 348 29.750 29.750 29.109 0.641 18297 6884 1 15 . 1 1 3 3 GLN H H 348 8.532 8.532 8.590 -0.058 18297 6885 1 15 . 1 1 4 4 LEU N N 349 125.369 125.369 122.840 2.529 18297 6886 1 15 . 1 1 4 4 LEU HA H 349 4.634 4.634 4.590 0.044 18297 6887 1 15 . 1 1 4 4 LEU C C 349 175.324 175.324 175.152 0.172 18297 6888 1 15 . 1 1 4 4 LEU CA C 349 53.197 53.197 52.155 1.042 18297 6889 1 15 . 1 1 4 4 LEU CB C 349 41.867 41.867 41.654 0.213 18297 6890 1 15 . 1 1 4 4 LEU H H 349 8.403 8.403 7.516 0.887 18297 6891 1 15 . 1 1 5 5 PRO HA H 350 4.360 4.360 4.242 0.118 18297 6892 1 15 . 1 1 5 5 PRO C C 350 176.639 176.639 175.595 1.044 18297 6893 1 15 . 1 1 5 5 PRO CA C 350 62.748 62.748 62.577 0.171 18297 6894 1 15 . 1 1 5 5 PRO CB C 350 32.319 32.319 32.162 0.157 18297 6895 1 15 . 1 1 6 6 GLN N N 351 121.707 121.707 123.289 -1.582 18297 6896 1 15 . 1 1 6 6 GLN HA H 351 4.428 4.428 4.347 0.081 18297 6897 1 15 . 1 1 6 6 GLN C C 351 175.898 175.898 175.199 0.699 18297 6898 1 15 . 1 1 6 6 GLN CA C 351 55.678 55.678 55.288 0.390 18297 6899 1 15 . 1 1 6 6 GLN CB C 351 30.054 30.054 30.596 -0.542 18297 6900 1 15 . 1 1 6 6 GLN H H 351 8.255 8.255 8.657 -0.402 18297 6901 1 15 . 1 1 7 7 ASN N N 352 123.275 123.275 122.620 0.655 18297 6902 1 15 . 1 1 7 7 ASN HA H 352 5.470 5.470 5.516 -0.046 18297 6903 1 15 . 1 1 7 7 ASN C C 352 175.324 175.324 174.994 0.330 18297 6904 1 15 . 1 1 7 7 ASN CA C 352 54.009 54.009 52.518 1.491 18297 6905 1 15 . 1 1 7 7 ASN CB C 352 40.414 40.414 40.356 0.058 18297 6906 1 15 . 1 1 7 7 ASN H H 352 8.860 8.860 8.585 0.275 18297 6907 1 15 . 1 1 8 8 ILE N N 353 119.104 119.104 114.594 4.510 18297 6908 1 15 . 1 1 8 8 ILE HA H 353 4.625 4.625 4.739 -0.114 18297 6909 1 15 . 1 1 8 8 ILE C C 353 173.669 173.669 173.801 -0.132 18297 6910 1 15 . 1 1 8 8 ILE CA C 353 60.201 60.201 59.216 0.985 18297 6911 1 15 . 1 1 8 8 ILE CB C 353 41.404 41.404 41.853 -0.450 18297 6912 1 15 . 1 1 8 8 ILE H H 353 8.808 8.808 9.036 -0.228 18297 6913 1 15 . 1 1 9 9 GLN N N 354 122.671 122.671 119.834 2.837 18297 6914 1 15 . 1 1 9 9 GLN HA H 354 5.586 5.586 5.510 0.076 18297 6915 1 15 . 1 1 9 9 GLN C C 354 174.274 174.274 174.184 0.090 18297 6916 1 15 . 1 1 9 9 GLN CA C 354 54.491 54.491 53.966 0.525 18297 6917 1 15 . 1 1 9 9 GLN CB C 354 31.120 31.120 31.864 -0.744 18297 6918 1 15 . 1 1 9 9 GLN H H 354 8.021 8.021 8.046 -0.025 18297 6919 1 15 . 1 1 10 10 PHE N N 355 120.679 120.679 122.460 -1.781 18297 6920 1 15 . 1 1 10 10 PHE HA H 355 4.635 4.635 4.708 -0.073 18297 6921 1 15 . 1 1 10 10 PHE C C 355 174.715 174.715 174.710 0.005 18297 6922 1 15 . 1 1 10 10 PHE CA C 355 57.226 57.226 56.381 0.845 18297 6923 1 15 . 1 1 10 10 PHE CB C 355 45.969 45.969 43.563 2.406 18297 6924 1 15 . 1 1 10 10 PHE H H 355 8.403 8.403 9.126 -0.723 18297 6925 1 15 . 1 1 11 11 SER N N 356 116.116 116.116 117.950 -1.834 18297 6926 1 15 . 1 1 11 11 SER HA H 356 5.020 5.020 5.454 -0.434 18297 6927 1 15 . 1 1 11 11 SER C C 356 174.917 174.917 174.386 0.531 18297 6928 1 15 . 1 1 11 11 SER CA C 356 56.110 56.110 56.091 0.019 18297 6929 1 15 . 1 1 11 11 SER CB C 356 63.879 63.879 62.943 0.937 18297 6930 1 15 . 1 1 11 11 SER H H 356 8.757 8.757 8.669 0.088 18297 6931 1 15 . 1 1 12 12 PRO HA H 357 3.776 3.776 4.277 -0.501 18297 6932 1 15 . 1 1 12 12 PRO C C 357 176.155 176.155 177.878 -1.723 18297 6933 1 15 . 1 1 12 12 PRO CA C 357 64.886 64.886 65.539 -0.653 18297 6934 1 15 . 1 1 12 12 PRO CB C 357 31.222 31.222 31.743 -0.521 18297 6935 1 15 . 1 1 13 13 SER N N 358 107.859 107.859 112.021 -4.162 18297 6936 1 15 . 1 1 13 13 SER HA H 358 4.388 4.388 4.501 -0.113 18297 6937 1 15 . 1 1 13 13 SER C C 358 173.972 173.972 174.081 -0.109 18297 6938 1 15 . 1 1 13 13 SER CA C 358 57.728 57.728 58.831 -1.103 18297 6939 1 15 . 1 1 13 13 SER CB C 358 63.879 63.879 62.743 1.136 18297 6940 1 15 . 1 1 13 13 SER H H 358 7.636 7.636 8.192 -0.556 18297 6941 1 15 . 1 1 14 14 ALA N N 359 126.012 126.012 125.042 0.970 18297 6942 1 15 . 1 1 14 14 ALA HA H 359 4.320 4.320 4.319 0.001 18297 6943 1 15 . 1 1 14 14 ALA C C 359 177.288 177.288 176.125 1.163 18297 6944 1 15 . 1 1 14 14 ALA CA C 359 52.849 52.849 52.012 0.837 18297 6945 1 15 . 1 1 14 14 ALA CB C 359 19.372 19.372 20.355 -0.983 18297 6946 1 15 . 1 1 14 14 ALA H H 359 7.937 7.937 8.060 -0.123 18297 6947 1 15 . 1 1 15 15 LYS N N 360 119.699 119.699 121.647 -1.948 18297 6948 1 15 . 1 1 15 15 LYS HA H 360 4.751 4.751 4.816 -0.065 18297 6949 1 15 . 1 1 15 15 LYS C C 360 179.638 179.638 177.567 2.071 18297 6950 1 15 . 1 1 15 15 LYS CA C 360 54.815 54.815 54.949 -0.134 18297 6951 1 15 . 1 1 15 15 LYS CB C 360 33.127 33.127 33.787 -0.660 18297 6952 1 15 . 1 1 15 15 LYS H H 360 8.523 8.523 9.195 -0.672 18297 6953 1 15 . 1 1 16 16 LEU N N 361 123.297 123.297 122.353 0.944 18297 6954 1 15 . 1 1 16 16 LEU HA H 361 3.828 3.828 3.908 -0.080 18297 6955 1 15 . 1 1 16 16 LEU C C 361 178.714 178.714 178.182 0.532 18297 6956 1 15 . 1 1 16 16 LEU CA C 361 58.321 58.321 57.693 0.628 18297 6957 1 15 . 1 1 16 16 LEU CB C 361 40.240 40.240 41.549 -1.309 18297 6958 1 15 . 1 1 16 16 LEU H H 361 8.383 8.383 8.408 -0.025 18297 6959 1 15 . 1 1 17 17 GLN N N 362 117.900 117.900 118.252 -0.352 18297 6960 1 15 . 1 1 17 17 GLN HA H 362 3.621 3.621 3.875 -0.254 18297 6961 1 15 . 1 1 17 17 GLN C C 362 176.370 176.370 177.981 -1.611 18297 6962 1 15 . 1 1 17 17 GLN CA C 362 58.547 58.547 59.246 -0.699 18297 6963 1 15 . 1 1 17 17 GLN CB C 362 29.442 29.442 28.332 1.110 18297 6964 1 15 . 1 1 17 17 GLN H H 362 8.766 8.766 7.798 0.968 18297 6965 1 15 . 1 1 18 18 GLU N N 363 116.341 116.341 118.677 -2.336 18297 6966 1 15 . 1 1 18 18 GLU HA H 363 4.201 4.201 4.119 0.082 18297 6967 1 15 . 1 1 18 18 GLU C C 363 180.135 180.135 179.038 1.097 18297 6968 1 15 . 1 1 18 18 GLU CA C 363 59.669 59.669 59.370 0.299 18297 6969 1 15 . 1 1 18 18 GLU CB C 363 29.870 29.870 29.080 0.790 18297 6970 1 15 . 1 1 18 18 GLU H H 363 7.783 7.783 7.655 0.128 18297 6971 1 15 . 1 1 19 19 VAL N N 364 120.647 120.647 118.790 1.857 18297 6972 1 15 . 1 1 19 19 VAL HA H 364 3.421 3.421 3.461 -0.040 18297 6973 1 15 . 1 1 19 19 VAL C C 364 177.380 177.380 177.736 -0.356 18297 6974 1 15 . 1 1 19 19 VAL CA C 364 65.433 65.433 65.686 -0.253 18297 6975 1 15 . 1 1 19 19 VAL CB C 364 30.964 30.964 31.270 -0.305 18297 6976 1 15 . 1 1 19 19 VAL H H 364 7.224 7.224 7.116 0.108 18297 6977 1 15 . 1 1 20 20 LEU N N 365 120.743 120.743 119.560 1.183 18297 6978 1 15 . 1 1 20 20 LEU HA H 365 3.916 3.916 4.006 -0.090 18297 6979 1 15 . 1 1 20 20 LEU C C 365 178.974 178.974 178.843 0.131 18297 6980 1 15 . 1 1 20 20 LEU CA C 365 58.612 58.612 57.867 0.745 18297 6981 1 15 . 1 1 20 20 LEU CB C 365 41.425 41.425 41.435 -0.010 18297 6982 1 15 . 1 1 20 20 LEU H H 365 7.517 7.517 7.333 0.184 18297 6983 1 15 . 1 1 21 21 ASP N N 366 119.329 119.329 118.859 0.470 18297 6984 1 15 . 1 1 21 21 ASP HA H 366 4.306 4.306 4.401 -0.095 18297 6985 1 15 . 1 1 21 21 ASP C C 366 177.992 177.992 179.289 -1.297 18297 6986 1 15 . 1 1 21 21 ASP CA C 366 57.405 57.405 57.932 -0.527 18297 6987 1 15 . 1 1 21 21 ASP CB C 366 40.265 40.265 40.950 -0.685 18297 6988 1 15 . 1 1 21 21 ASP H H 366 8.805 8.805 7.709 1.096 18297 6989 1 15 . 1 1 22 22 TYR N N 367 121.643 121.643 120.576 1.067 18297 6990 1 15 . 1 1 22 22 TYR HA H 367 4.305 4.305 4.264 0.041 18297 6991 1 15 . 1 1 22 22 TYR C C 367 177.701 177.701 176.846 0.855 18297 6992 1 15 . 1 1 22 22 TYR CA C 367 61.777 61.777 60.896 0.881 18297 6993 1 15 . 1 1 22 22 TYR CB C 367 38.801 38.801 38.927 -0.126 18297 6994 1 15 . 1 1 22 22 TYR H H 367 7.718 7.718 7.878 -0.161 18297 6995 1 15 . 1 1 23 23 LEU N N 368 118.414 118.414 118.705 -0.291 18297 6996 1 15 . 1 1 23 23 LEU HA H 368 3.910 3.910 3.973 -0.063 18297 6997 1 15 . 1 1 23 23 LEU C C 368 178.019 178.019 178.259 -0.240 18297 6998 1 15 . 1 1 23 23 LEU CA C 368 57.773 57.773 57.480 0.293 18297 6999 1 15 . 1 1 23 23 LEU CB C 368 42.032 42.032 41.962 0.070 18297 7000 1 15 . 1 1 23 23 LEU H H 368 8.060 8.060 7.630 0.430 18297 7001 1 15 . 1 1 24 24 THR N N 369 106.606 106.606 109.208 -2.602 18297 7002 1 15 . 1 1 24 24 THR HA H 369 4.507 4.507 4.310 0.197 18297 7003 1 15 . 1 1 24 24 THR C C 369 176.576 176.576 173.859 2.717 18297 7004 1 15 . 1 1 24 24 THR CA C 369 63.245 63.245 62.877 0.368 18297 7005 1 15 . 1 1 24 24 THR CB C 369 70.517 70.517 70.055 0.462 18297 7006 1 15 . 1 1 24 24 THR H H 369 8.017 8.017 8.149 -0.132 18297 7007 1 15 . 1 1 25 25 ASN N N 370 118.847 118.847 118.329 0.518 18297 7008 1 15 . 1 1 25 25 ASN HA H 370 4.846 4.846 4.843 0.003 18297 7009 1 15 . 1 1 25 25 ASN C C 370 176.455 176.455 174.886 1.569 18297 7010 1 15 . 1 1 25 25 ASN CA C 370 53.944 53.944 52.400 1.544 18297 7011 1 15 . 1 1 25 25 ASN CB C 370 39.718 39.718 40.890 -1.172 18297 7012 1 15 . 1 1 25 25 ASN H H 370 8.149 8.149 8.286 -0.137 18297 7013 1 15 . 1 1 26 26 SER N N 371 116.888 116.888 117.893 -1.005 18297 7014 1 15 . 1 1 26 26 SER HA H 371 4.375 4.375 4.484 -0.109 18297 7015 1 15 . 1 1 26 26 SER C C 371 176.257 176.257 175.238 1.019 18297 7016 1 15 . 1 1 26 26 SER CA C 371 59.603 59.603 60.767 -1.164 18297 7017 1 15 . 1 1 26 26 SER CB C 371 63.792 63.792 63.344 0.448 18297 7018 1 15 . 1 1 26 26 SER H H 371 7.889 7.889 8.748 -0.859 18297 7019 1 15 . 1 1 27 27 ALA N N 372 128.743 128.743 123.036 5.707 18297 7020 1 15 . 1 1 27 27 ALA HA H 372 4.228 4.228 4.261 -0.033 18297 7021 1 15 . 1 1 27 27 ALA C C 372 178.538 178.538 180.098 -1.560 18297 7022 1 15 . 1 1 27 27 ALA CA C 372 54.491 54.491 54.292 0.199 18297 7023 1 15 . 1 1 27 27 ALA CB C 372 18.772 18.772 18.795 -0.023 18297 7024 1 15 . 1 1 27 27 ALA H H 372 8.836 8.836 7.876 0.960 18297 7025 1 15 . 1 1 28 28 SER N N 373 110.751 110.751 115.822 -5.071 18297 7026 1 15 . 1 1 28 28 SER HA H 373 4.426 4.426 4.306 0.120 18297 7027 1 15 . 1 1 28 28 SER C C 373 174.548 174.548 175.854 -1.306 18297 7028 1 15 . 1 1 28 28 SER CA C 373 59.415 59.415 60.959 -1.544 18297 7029 1 15 . 1 1 28 28 SER CB C 373 63.394 63.394 63.397 -0.003 18297 7030 1 15 . 1 1 28 28 SER H H 373 8.069 8.069 9.088 -1.019 18297 7031 1 15 . 1 1 29 29 LEU N N 374 122.012 122.012 120.521 1.491 18297 7032 1 15 . 1 1 29 29 LEU HA H 374 4.465 4.465 4.330 0.135 18297 7033 1 15 . 1 1 29 29 LEU C C 374 175.716 175.716 176.902 -1.186 18297 7034 1 15 . 1 1 29 29 LEU CA C 374 56.132 56.132 54.981 1.151 18297 7035 1 15 . 1 1 29 29 LEU CB C 374 44.295 44.295 41.929 2.365 18297 7036 1 15 . 1 1 29 29 LEU H H 374 7.547 7.547 7.682 -0.135 18297 7037 1 15 . 1 1 30 30 GLN N N 375 116.052 116.052 118.550 -2.498 18297 7038 1 15 . 1 1 30 30 GLN HA H 375 4.003 4.003 4.078 -0.075 18297 7039 1 15 . 1 1 30 30 GLN C C 375 175.498 175.498 177.419 -1.921 18297 7040 1 15 . 1 1 30 30 GLN CA C 375 56.434 56.434 58.351 -1.917 18297 7041 1 15 . 1 1 30 30 GLN CB C 375 27.948 27.948 28.606 -0.658 18297 7042 1 15 . 1 1 30 30 GLN H H 375 8.060 8.060 7.574 0.486 18297 7043 1 15 . 1 1 31 31 MET N N 376 117.691 117.691 115.932 1.759 18297 7044 1 15 . 1 1 31 31 MET HA H 376 4.283 4.283 4.534 -0.251 18297 7045 1 15 . 1 1 31 31 MET C C 376 175.843 175.843 177.522 -1.679 18297 7046 1 15 . 1 1 31 31 MET CA C 376 57.728 57.728 56.856 0.872 18297 7047 1 15 . 1 1 31 31 MET CB C 376 33.451 33.451 33.754 -0.303 18297 7048 1 15 . 1 1 31 31 MET H H 376 8.211 8.211 7.782 0.429 18297 7049 1 15 . 1 1 32 32 LYS N N 377 122.028 122.028 119.237 2.791 18297 7050 1 15 . 1 1 32 32 LYS HA H 377 4.414 4.414 4.331 0.083 18297 7051 1 15 . 1 1 32 32 LYS C C 377 177.837 177.837 176.529 1.308 18297 7052 1 15 . 1 1 32 32 LYS CA C 377 58.052 58.052 56.527 1.525 18297 7053 1 15 . 1 1 32 32 LYS CB C 377 34.994 34.994 32.572 2.422 18297 7054 1 15 . 1 1 32 32 LYS H H 377 9.461 9.461 7.758 1.703 18297 7055 1 15 . 1 1 33 33 SER N N 378 115.056 115.056 116.150 -1.094 18297 7056 1 15 . 1 1 33 33 SER HA H 378 4.650 4.650 4.507 0.143 18297 7057 1 15 . 1 1 33 33 SER C C 378 172.026 172.026 173.334 -1.308 18297 7058 1 15 . 1 1 33 33 SER CA C 378 55.038 55.038 56.159 -1.121 18297 7059 1 15 . 1 1 33 33 SER CB C 378 62.908 62.908 63.572 -0.664 18297 7060 1 15 . 1 1 33 33 SER H H 378 10.101 10.101 7.432 2.669 18297 7061 1 15 . 1 1 34 34 PRO HA H 379 5.043 5.043 4.470 0.573 18297 7062 1 15 . 1 1 34 34 PRO C C 379 175.422 175.422 175.137 0.285 18297 7063 1 15 . 1 1 34 34 PRO CA C 379 63.792 63.792 62.867 0.925 18297 7064 1 15 . 1 1 34 34 PRO CB C 379 33.703 33.703 32.384 1.319 18297 7065 1 15 . 1 1 35 35 ALA N N 380 121.498 121.498 122.533 -1.035 18297 7066 1 15 . 1 1 35 35 ALA HA H 380 5.137 5.137 4.092 1.045 18297 7067 1 15 . 1 1 35 35 ALA C C 380 177.313 177.313 175.758 1.555 18297 7068 1 15 . 1 1 35 35 ALA CA C 380 50.661 50.661 50.222 0.438 18297 7069 1 15 . 1 1 35 35 ALA CB C 380 22.118 22.118 21.644 0.474 18297 7070 1 15 . 1 1 35 35 ALA H H 380 8.894 8.894 8.674 0.220 18297 7071 1 15 . 1 1 36 36 ILE N N 381 120.470 120.470 124.181 -3.711 18297 7072 1 15 . 1 1 36 36 ILE HA H 381 4.967 4.967 4.769 0.198 18297 7073 1 15 . 1 1 36 36 ILE C C 381 175.314 175.314 175.622 -0.308 18297 7074 1 15 . 1 1 36 36 ILE CA C 381 61.056 61.056 60.321 0.735 18297 7075 1 15 . 1 1 36 36 ILE CB C 381 41.364 41.364 39.369 1.995 18297 7076 1 15 . 1 1 36 36 ILE H H 381 9.038 9.038 8.750 0.288 18297 7077 1 15 . 1 1 37 37 THR N N 382 123.297 123.297 124.048 -0.751 18297 7078 1 15 . 1 1 37 37 THR HA H 382 5.252 5.252 5.061 0.191 18297 7079 1 15 . 1 1 37 37 THR C C 382 172.289 172.289 172.525 -0.236 18297 7080 1 15 . 1 1 37 37 THR CA C 382 60.977 60.977 60.974 0.003 18297 7081 1 15 . 1 1 37 37 THR CB C 382 71.919 71.919 71.522 0.397 18297 7082 1 15 . 1 1 37 37 THR H H 382 9.363 9.363 9.218 0.145 18297 7083 1 15 . 1 1 38 38 ALA N N 383 123.340 123.340 127.378 -4.038 18297 7084 1 15 . 1 1 38 38 ALA HA H 383 4.935 4.935 4.968 -0.033 18297 7085 1 15 . 1 1 38 38 ALA C C 383 175.743 175.743 175.494 0.249 18297 7086 1 15 . 1 1 38 38 ALA CA C 383 51.147 51.147 50.113 1.034 18297 7087 1 15 . 1 1 38 38 ALA CB C 383 22.758 22.758 22.664 0.094 18297 7088 1 15 . 1 1 38 38 ALA H H 383 8.896 8.896 9.281 -0.385 18297 7089 1 15 . 1 1 39 39 THR N N 384 118.815 118.815 118.836 -0.021 18297 7090 1 15 . 1 1 39 39 THR HA H 384 4.892 4.892 5.088 -0.196 18297 7091 1 15 . 1 1 39 39 THR C C 384 174.098 174.098 173.882 0.216 18297 7092 1 15 . 1 1 39 39 THR CA C 384 62.310 62.310 62.438 -0.128 18297 7093 1 15 . 1 1 39 39 THR CB C 384 69.263 69.263 69.457 -0.194 18297 7094 1 15 . 1 1 39 39 THR H H 384 8.968 8.968 8.560 0.408 18297 7095 1 15 . 1 1 40 40 LEU N N 385 128.711 128.711 127.834 0.877 18297 7096 1 15 . 1 1 40 40 LEU HA H 385 4.791 4.791 4.679 0.112 18297 7097 1 15 . 1 1 40 40 LEU C C 385 176.479 176.479 175.930 0.549 18297 7098 1 15 . 1 1 40 40 LEU CA C 385 53.944 53.944 53.794 0.150 18297 7099 1 15 . 1 1 40 40 LEU CB C 385 44.966 44.966 44.349 0.617 18297 7100 1 15 . 1 1 40 40 LEU H H 385 8.667 8.667 9.107 -0.440 18297 7101 1 15 . 1 1 41 41 GLU N N 386 124.470 124.470 127.156 -2.686 18297 7102 1 15 . 1 1 41 41 GLU HA H 386 3.936 3.936 3.919 0.017 18297 7103 1 15 . 1 1 41 41 GLU C C 386 176.878 176.878 176.281 0.597 18297 7104 1 15 . 1 1 41 41 GLU CA C 386 57.226 57.226 56.546 0.680 18297 7105 1 15 . 1 1 41 41 GLU CB C 386 27.735 27.735 29.098 -1.363 18297 7106 1 15 . 1 1 41 41 GLU H H 386 9.547 9.547 9.343 0.204 18297 7107 1 15 . 1 1 42 42 GLY N N 387 104.068 104.068 103.629 0.439 18297 7108 1 15 . 1 1 42 42 GLY C C 387 173.993 173.993 173.856 0.137 18297 7109 1 15 . 1 1 42 42 GLY CA C 387 45.596 45.596 44.955 0.641 18297 7110 1 15 . 1 1 42 42 GLY H H 387 8.578 8.578 8.245 0.333 18297 7111 1 15 . 1 1 43 43 LYS N N 388 120.422 120.422 122.440 -2.018 18297 7112 1 15 . 1 1 43 43 LYS HA H 388 4.701 4.701 4.593 0.108 18297 7113 1 15 . 1 1 43 43 LYS C C 388 175.054 175.054 174.782 0.272 18297 7114 1 15 . 1 1 43 43 LYS CA C 388 54.491 54.491 54.285 0.206 18297 7115 1 15 . 1 1 43 43 LYS CB C 388 34.968 34.968 34.465 0.503 18297 7116 1 15 . 1 1 43 43 LYS H H 388 7.826 7.826 7.657 0.169 18297 7117 1 15 . 1 1 44 44 ASN N N 389 122.606 122.606 123.679 -1.073 18297 7118 1 15 . 1 1 44 44 ASN HA H 389 4.895 4.895 5.094 -0.199 18297 7119 1 15 . 1 1 44 44 ASN C C 389 174.905 174.905 174.889 0.016 18297 7120 1 15 . 1 1 44 44 ASN CA C 389 53.944 53.944 52.988 0.956 18297 7121 1 15 . 1 1 44 44 ASN CB C 389 39.229 39.229 39.272 -0.043 18297 7122 1 15 . 1 1 44 44 ASN H H 389 8.827 8.827 8.824 0.003 18297 7123 1 15 . 1 1 45 45 ARG N N 390 125.867 125.867 126.047 -0.180 18297 7124 1 15 . 1 1 45 45 ARG HA H 390 4.756 4.756 4.713 0.043 18297 7125 1 15 . 1 1 45 45 ARG C C 390 175.224 175.224 175.024 0.200 18297 7126 1 15 . 1 1 45 45 ARG CA C 390 54.491 54.491 54.790 -0.299 18297 7127 1 15 . 1 1 45 45 ARG CB C 390 32.973 32.973 32.804 0.169 18297 7128 1 15 . 1 1 45 45 ARG H H 390 9.220 9.220 9.097 0.123 18297 7129 1 15 . 1 1 46 46 THR N N 391 122.574 122.574 123.207 -0.633 18297 7130 1 15 . 1 1 46 46 THR HA H 391 4.289 4.289 4.310 -0.021 18297 7131 1 15 . 1 1 46 46 THR C C 391 174.010 174.010 174.173 -0.163 18297 7132 1 15 . 1 1 46 46 THR CA C 391 63.509 63.509 63.495 0.014 18297 7133 1 15 . 1 1 46 46 THR CB C 391 68.716 68.716 69.247 -0.531 18297 7134 1 15 . 1 1 46 46 THR H H 391 8.940 8.940 8.909 0.031 18297 7135 1 15 . 1 1 47 47 LEU N N 392 128.647 128.647 126.722 1.925 18297 7136 1 15 . 1 1 47 47 LEU HA H 392 4.339 4.339 4.214 0.125 18297 7137 1 15 . 1 1 47 47 LEU C C 392 176.670 176.670 178.419 -1.749 18297 7138 1 15 . 1 1 47 47 LEU CA C 392 56.132 56.132 56.460 -0.328 18297 7139 1 15 . 1 1 47 47 LEU CB C 392 42.678 42.678 41.879 0.799 18297 7140 1 15 . 1 1 47 47 LEU H H 392 9.096 9.096 8.796 0.300 18297 7141 1 15 . 1 1 48 48 TYR N N 393 113.514 113.514 121.044 -7.530 18297 7142 1 15 . 1 1 48 48 TYR HA H 393 4.618 4.618 4.154 0.464 18297 7143 1 15 . 1 1 48 48 TYR C C 393 173.455 173.455 175.014 -1.559 18297 7144 1 15 . 1 1 48 48 TYR CA C 393 59.415 59.415 61.801 -2.386 18297 7145 1 15 . 1 1 48 48 TYR CB C 393 41.384 41.384 39.677 1.707 18297 7146 1 15 . 1 1 48 48 TYR H H 393 7.562 7.562 7.700 -0.138 18297 7147 1 15 . 1 1 57 57 GLU N N 402 128.181 128.181 123.223 4.958 18297 7148 1 15 . 1 1 57 57 GLU H H 402 8.645 8.645 8.600 0.045 18297 7149 1 15 . 1 1 58 58 ARG N N 403 117.080 117.080 123.748 -6.668 18297 7150 1 15 . 1 1 58 58 ARG HA H 403 4.302 4.302 4.673 -0.371 18297 7151 1 15 . 1 1 58 58 ARG CA C 403 58.321 58.321 55.679 2.642 18297 7152 1 15 . 1 1 58 58 ARG CB C 403 31.165 31.165 30.637 0.528 18297 7153 1 15 . 1 1 58 58 ARG H H 403 8.278 8.278 8.212 0.066 18297 7154 1 15 . 1 1 59 59 THR N N 404 108.390 108.390 117.225 -8.835 18297 7155 1 15 . 1 1 59 59 THR HA H 404 4.932 4.932 4.548 0.384 18297 7156 1 15 . 1 1 59 59 THR H H 404 8.301 8.301 8.526 -0.225 18297 7157 1 15 . 1 1 60 60 ARG N N 405 126.639 126.639 116.370 10.269 18297 7158 1 15 . 1 1 60 60 ARG H H 405 8.549 8.549 8.158 0.391 18297 7159 1 15 . 1 1 61 61 PRO HA H 406 4.431 4.431 4.326 0.105 18297 7160 1 15 . 1 1 61 61 PRO C C 406 178.434 178.434 178.005 0.429 18297 7161 1 15 . 1 1 61 61 PRO CA C 406 65.980 65.980 65.546 0.434 18297 7162 1 15 . 1 1 61 61 PRO CB C 406 31.348 31.348 31.935 -0.587 18297 7163 1 15 . 1 1 62 62 ASN N N 407 114.574 114.574 117.017 -2.443 18297 7164 1 15 . 1 1 62 62 ASN HA H 407 4.390 4.390 4.461 -0.071 18297 7165 1 15 . 1 1 62 62 ASN C C 407 177.863 177.863 177.402 0.461 18297 7166 1 15 . 1 1 62 62 ASN CA C 407 55.308 55.308 55.812 -0.504 18297 7167 1 15 . 1 1 62 62 ASN CB C 407 37.530 37.530 37.835 -0.305 18297 7168 1 15 . 1 1 62 62 ASN H H 407 8.481 8.481 7.712 0.769 18297 7169 1 15 . 1 1 63 63 LEU N N 408 115.667 115.667 117.844 -2.177 18297 7170 1 15 . 1 1 63 63 LEU HA H 408 3.861 3.861 4.016 -0.155 18297 7171 1 15 . 1 1 63 63 LEU C C 408 177.708 177.708 178.469 -0.761 18297 7172 1 15 . 1 1 63 63 LEU CA C 408 57.667 57.667 57.567 0.100 18297 7173 1 15 . 1 1 63 63 LEU CB C 408 41.706 41.706 41.660 0.046 18297 7174 1 15 . 1 1 63 63 LEU H H 408 8.022 8.022 7.368 0.654 18297 7175 1 15 . 1 1 64 64 SER N N 409 109.209 109.209 110.868 -1.659 18297 7176 1 15 . 1 1 64 64 SER HA H 409 4.588 4.588 4.431 0.157 18297 7177 1 15 . 1 1 64 64 SER C C 409 173.870 173.870 174.691 -0.821 18297 7178 1 15 . 1 1 64 64 SER CA C 409 58.321 58.321 58.756 -0.435 18297 7179 1 15 . 1 1 64 64 SER CB C 409 63.855 63.855 63.839 0.016 18297 7180 1 15 . 1 1 64 64 SER H H 409 7.232 7.232 7.493 -0.261 18297 7181 1 15 . 1 1 65 65 LYS N N 410 122.735 122.735 121.016 1.719 18297 7182 1 15 . 1 1 65 65 LYS HA H 410 4.609 4.609 4.583 0.026 18297 7183 1 15 . 1 1 65 65 LYS C C 410 175.946 175.946 175.661 0.285 18297 7184 1 15 . 1 1 65 65 LYS CA C 410 55.463 55.463 54.576 0.887 18297 7185 1 15 . 1 1 65 65 LYS CB C 410 34.422 34.422 33.846 0.576 18297 7186 1 15 . 1 1 65 65 LYS H H 410 7.543 7.543 7.580 -0.037 18297 7187 1 15 . 1 1 66 66 THR N N 411 110.944 110.944 110.592 0.352 18297 7188 1 15 . 1 1 66 66 THR HA H 411 5.003 5.003 4.597 0.406 18297 7189 1 15 . 1 1 66 66 THR C C 411 176.038 176.038 176.392 -0.354 18297 7190 1 15 . 1 1 66 66 THR CA C 411 60.221 60.221 60.969 -0.748 18297 7191 1 15 . 1 1 66 66 THR CB C 411 70.956 70.956 70.496 0.460 18297 7192 1 15 . 1 1 66 66 THR H H 411 8.980 8.980 8.017 0.963 18297 7193 1 15 . 1 1 67 67 LEU N N 412 118.076 118.076 121.604 -3.528 18297 7194 1 15 . 1 1 67 67 LEU HA H 412 3.961 3.961 3.981 -0.020 18297 7195 1 15 . 1 1 67 67 LEU C C 412 179.227 179.227 178.840 0.387 18297 7196 1 15 . 1 1 67 67 LEU CA C 412 58.321 58.321 58.966 -0.645 18297 7197 1 15 . 1 1 67 67 LEU CB C 412 39.914 39.914 41.559 -1.645 18297 7198 1 15 . 1 1 67 67 LEU H H 412 8.434 8.434 9.137 -0.703 18297 7199 1 15 . 1 1 68 68 LYS N N 413 116.373 116.373 119.018 -2.645 18297 7200 1 15 . 1 1 68 68 LYS HA H 413 4.285 4.285 3.900 0.385 18297 7201 1 15 . 1 1 68 68 LYS C C 413 181.338 181.338 179.562 1.776 18297 7202 1 15 . 1 1 68 68 LYS CA C 413 58.868 58.868 59.266 -0.398 18297 7203 1 15 . 1 1 68 68 LYS CB C 413 32.606 32.606 32.185 0.421 18297 7204 1 15 . 1 1 68 68 LYS H H 413 8.171 8.171 7.537 0.634 18297 7205 1 15 . 1 1 69 69 GLU N N 414 123.731 123.731 119.941 3.790 18297 7206 1 15 . 1 1 69 69 GLU HA H 414 4.072 4.072 4.080 -0.008 18297 7207 1 15 . 1 1 69 69 GLU C C 414 179.202 179.202 178.703 0.499 18297 7208 1 15 . 1 1 69 69 GLU CA C 414 58.868 58.868 58.722 0.145 18297 7209 1 15 . 1 1 69 69 GLU CB C 414 29.566 29.566 29.316 0.250 18297 7210 1 15 . 1 1 69 69 GLU H H 414 8.326 8.326 7.777 0.549 18297 7211 1 15 . 1 1 70 70 LEU N N 415 119.008 119.008 113.993 5.015 18297 7212 1 15 . 1 1 70 70 LEU HA H 415 4.218 4.218 4.422 -0.204 18297 7213 1 15 . 1 1 70 70 LEU C C 415 176.505 176.505 176.896 -0.391 18297 7214 1 15 . 1 1 70 70 LEU CA C 415 55.822 55.822 54.898 0.924 18297 7215 1 15 . 1 1 70 70 LEU CB C 415 43.012 43.012 41.271 1.741 18297 7216 1 15 . 1 1 70 70 LEU H H 415 7.993 7.993 7.933 0.060 18297 7217 1 15 . 1 1 71 71 GLY N N 416 105.578 105.578 105.443 0.135 18297 7218 1 15 . 1 1 71 71 GLY C C 416 174.505 174.505 174.444 0.061 18297 7219 1 15 . 1 1 71 71 GLY CA C 416 45.191 45.191 45.055 0.136 18297 7220 1 15 . 1 1 71 71 GLY H H 416 7.880 7.880 7.492 0.388 18297 7221 1 15 . 1 1 72 72 LEU N N 417 119.201 119.201 121.222 -2.021 18297 7222 1 15 . 1 1 72 72 LEU HA H 417 4.599 4.599 4.684 -0.085 18297 7223 1 15 . 1 1 72 72 LEU C C 417 176.208 176.208 175.659 0.549 18297 7224 1 15 . 1 1 72 72 LEU CA C 417 54.815 54.815 54.622 0.193 18297 7225 1 15 . 1 1 72 72 LEU CB C 417 41.867 41.867 43.758 -1.891 18297 7226 1 15 . 1 1 72 72 LEU H H 417 7.466 7.466 7.921 -0.455 18297 7227 1 15 . 1 1 73 73 VAL N N 418 112.871 112.871 122.691 -9.820 18297 7228 1 15 . 1 1 73 73 VAL HA H 418 4.782 4.782 4.610 0.172 18297 7229 1 15 . 1 1 73 73 VAL C C 418 174.804 174.804 174.821 -0.017 18297 7230 1 15 . 1 1 73 73 VAL CA C 418 59.070 59.070 58.866 0.204 18297 7231 1 15 . 1 1 73 73 VAL CB C 418 35.557 35.557 35.829 -0.272 18297 7232 1 15 . 1 1 73 73 VAL H H 418 8.003 8.003 8.107 -0.104 18297 7233 1 15 . 1 1 74 74 ASP N N 419 119.972 119.972 122.948 -2.976 18297 7234 1 15 . 1 1 74 74 ASP HA H 419 3.593 3.593 4.800 -1.207 18297 7235 1 15 . 1 1 74 74 ASP C C 419 177.545 177.545 176.932 0.613 18297 7236 1 15 . 1 1 74 74 ASP CA C 419 56.419 56.419 54.894 1.525 18297 7237 1 15 . 1 1 74 74 ASP CB C 419 42.035 42.035 40.834 1.201 18297 7238 1 15 . 1 1 74 74 ASP H H 419 8.250 8.250 8.652 -0.402 18297 7239 1 15 . 1 1 75 75 GLY N N 420 116.020 116.020 112.372 3.648 18297 7240 1 15 . 1 1 75 75 GLY C C 420 173.763 173.763 174.377 -0.614 18297 7241 1 15 . 1 1 75 75 GLY CA C 420 45.354 45.354 44.590 0.764 18297 7242 1 15 . 1 1 75 75 GLY H H 420 8.704 8.704 8.435 0.269 18297 7243 1 15 . 1 1 76 76 GLN N N 421 121.514 121.514 120.661 0.853 18297 7244 1 15 . 1 1 76 76 GLN HA H 421 4.048 4.048 4.202 -0.154 18297 7245 1 15 . 1 1 76 76 GLN C C 421 175.023 175.023 174.851 0.172 18297 7246 1 15 . 1 1 76 76 GLN CA C 421 56.709 56.709 55.938 0.771 18297 7247 1 15 . 1 1 76 76 GLN CB C 421 29.511 29.511 29.942 -0.431 18297 7248 1 15 . 1 1 76 76 GLN H H 421 7.867 7.867 7.458 0.409 18297 7249 1 15 . 1 1 77 77 GLU N N 422 123.859 123.859 126.135 -2.276 18297 7250 1 15 . 1 1 77 77 GLU HA H 422 5.186 5.186 5.319 -0.133 18297 7251 1 15 . 1 1 77 77 GLU C C 422 176.877 176.877 175.308 1.569 18297 7252 1 15 . 1 1 77 77 GLU CA C 422 55.786 55.786 55.315 0.471 18297 7253 1 15 . 1 1 77 77 GLU CB C 422 31.509 31.509 31.451 0.058 18297 7254 1 15 . 1 1 77 77 GLU H H 422 8.568 8.568 8.727 -0.159 18297 7255 1 15 . 1 1 78 78 LEU N N 423 125.867 125.867 126.699 -0.832 18297 7256 1 15 . 1 1 78 78 LEU HA H 423 5.080 5.080 4.684 0.396 18297 7257 1 15 . 1 1 78 78 LEU C C 423 174.470 174.470 175.487 -1.017 18297 7258 1 15 . 1 1 78 78 LEU CA C 423 53.686 53.686 54.021 -0.335 18297 7259 1 15 . 1 1 78 78 LEU CB C 423 44.966 44.966 43.538 1.428 18297 7260 1 15 . 1 1 78 78 LEU H H 423 9.313 9.313 9.208 0.105 18297 7261 1 15 . 1 1 79 79 ALA N N 424 126.044 126.044 125.494 0.550 18297 7262 1 15 . 1 1 79 79 ALA HA H 424 5.206 5.206 5.297 -0.091 18297 7263 1 15 . 1 1 79 79 ALA C C 424 176.786 176.786 175.773 1.013 18297 7264 1 15 . 1 1 79 79 ALA CA C 424 51.049 51.049 50.077 0.972 18297 7265 1 15 . 1 1 79 79 ALA CB C 424 20.453 20.453 21.199 -0.746 18297 7266 1 15 . 1 1 79 79 ALA H H 424 8.918 8.918 9.367 -0.449 18297 7267 1 15 . 1 1 80 80 VAL N N 425 124.759 124.759 118.898 5.861 18297 7268 1 15 . 1 1 80 80 VAL HA H 425 5.344 5.344 5.489 -0.145 18297 7269 1 15 . 1 1 80 80 VAL C C 425 173.757 173.757 174.460 -0.703 18297 7270 1 15 . 1 1 80 80 VAL CA C 425 60.886 60.886 58.868 2.018 18297 7271 1 15 . 1 1 80 80 VAL CB C 425 34.908 34.908 34.494 0.414 18297 7272 1 15 . 1 1 80 80 VAL H H 425 9.357 9.357 8.943 0.414 18297 7273 1 15 . 1 1 81 81 ALA N N 426 129.353 129.353 127.095 2.258 18297 7274 1 15 . 1 1 81 81 ALA HA H 426 5.045 5.045 4.751 0.294 18297 7275 1 15 . 1 1 81 81 ALA C C 426 175.938 175.938 175.204 0.734 18297 7276 1 15 . 1 1 81 81 ALA CA C 426 50.133 50.133 50.491 -0.358 18297 7277 1 15 . 1 1 81 81 ALA CB C 426 22.758 22.758 21.989 0.769 18297 7278 1 15 . 1 1 81 81 ALA H H 426 8.502 8.502 8.990 -0.488 18297 7279 1 15 . 1 1 82 82 ASP N N 427 120.165 120.165 122.712 -2.547 18297 7280 1 15 . 1 1 82 82 ASP HA H 427 5.100 5.100 4.941 0.159 18297 7281 1 15 . 1 1 82 82 ASP C C 427 176.669 176.669 176.063 0.606 18297 7282 1 15 . 1 1 82 82 ASP CA C 427 54.491 54.491 52.585 1.906 18297 7283 1 15 . 1 1 82 82 ASP CB C 427 46.891 46.891 44.374 2.517 18297 7284 1 15 . 1 1 82 82 ASP H H 427 8.906 8.906 8.650 0.256 18297 7285 1 15 . 1 1 83 83 VAL N N 428 119.201 119.201 116.733 2.468 18297 7286 1 15 . 1 1 83 83 VAL HA H 428 4.153 4.153 4.319 -0.166 18297 7287 1 15 . 1 1 83 83 VAL C C 428 177.085 177.085 177.016 0.069 18297 7288 1 15 . 1 1 83 83 VAL CA C 428 63.992 63.992 64.374 -0.382 18297 7289 1 15 . 1 1 83 83 VAL CB C 428 31.772 31.772 32.196 -0.424 18297 7290 1 15 . 1 1 83 83 VAL H H 428 8.114 8.114 8.651 -0.537 18297 7291 1 15 . 1 1 84 84 THR N N 429 110.173 110.173 114.717 -4.544 18297 7292 1 15 . 1 1 84 84 THR HA H 429 4.235 4.235 4.437 -0.202 18297 7293 1 15 . 1 1 84 84 THR C C 429 174.905 174.905 174.830 0.075 18297 7294 1 15 . 1 1 84 84 THR CA C 429 63.533 63.533 62.796 0.737 18297 7295 1 15 . 1 1 84 84 THR CB C 429 70.613 70.613 69.736 0.877 18297 7296 1 15 . 1 1 84 84 THR H H 429 7.899 7.899 8.446 -0.547 18297 7297 1 15 . 1 1 85 85 THR N N 430 116.438 116.438 120.125 -3.687 18297 7298 1 15 . 1 1 85 85 THR HA H 430 5.132 5.132 4.796 0.336 18297 7299 1 15 . 1 1 85 85 THR C C 430 173.160 173.160 173.003 0.157 18297 7300 1 15 . 1 1 85 85 THR CA C 430 57.863 57.863 60.080 -2.217 18297 7301 1 15 . 1 1 85 85 THR CB C 430 71.050 71.050 69.849 1.201 18297 7302 1 15 . 1 1 85 85 THR H H 430 7.810 7.810 8.519 -0.709 18297 7303 1 15 . 1 1 86 86 PRO HA H 431 4.582 4.582 4.364 0.218 18297 7304 1 15 . 1 1 86 86 PRO CA C 431 64.086 64.086 63.779 0.307 18297 7305 1 15 . 1 1 86 86 PRO CB C 431 31.995 31.995 32.186 -0.191 18297 7306 1 15 . 1 1 87 87 GLN N N 432 117.241 117.241 119.110 -1.869 18297 7307 1 15 . 1 1 87 87 GLN HA H 432 4.618 4.618 4.392 0.226 18297 7308 1 15 . 1 1 87 87 GLN C C 432 175.653 175.653 175.105 0.548 18297 7309 1 15 . 1 1 87 87 GLN CA C 432 54.491 54.491 54.982 -0.491 18297 7310 1 15 . 1 1 87 87 GLN CB C 432 30.799 30.799 29.051 1.748 18297 7311 1 15 . 1 1 87 87 GLN H H 432 7.786 7.786 7.764 0.022 18297 7312 1 15 . 1 1 88 88 THR N N 433 119.651 119.651 116.186 3.465 18297 7313 1 15 . 1 1 88 88 THR HA H 433 4.440 4.440 4.609 -0.169 18297 7314 1 15 . 1 1 88 88 THR C C 433 173.939 173.939 174.425 -0.486 18297 7315 1 15 . 1 1 88 88 THR CA C 433 63.792 63.792 61.478 2.313 18297 7316 1 15 . 1 1 88 88 THR CB C 433 70.357 70.357 69.839 0.518 18297 7317 1 15 . 1 1 88 88 THR H H 433 8.460 8.460 8.250 0.210 18297 7318 1 15 . 1 1 89 89 VAL N N 434 128.068 128.068 128.984 -0.916 18297 7319 1 15 . 1 1 89 89 VAL HA H 434 4.153 4.153 4.147 0.006 18297 7320 1 15 . 1 1 89 89 VAL C C 434 174.083 174.083 174.272 -0.189 18297 7321 1 15 . 1 1 89 89 VAL CA C 434 61.827 61.827 60.941 0.886 18297 7322 1 15 . 1 1 89 89 VAL CB C 434 33.937 33.937 33.895 0.042 18297 7323 1 15 . 1 1 89 89 VAL H H 434 9.275 9.275 8.102 1.173 18297 7324 1 15 . 1 1 90 90 LEU N N 435 125.755 125.755 124.732 1.023 18297 7325 1 15 . 1 1 90 90 LEU HA H 435 5.304 5.304 5.299 0.005 18297 7326 1 15 . 1 1 90 90 LEU C C 435 176.455 176.455 176.084 0.371 18297 7327 1 15 . 1 1 90 90 LEU CA C 435 53.396 53.396 52.994 0.402 18297 7328 1 15 . 1 1 90 90 LEU CB C 435 44.023 44.023 43.096 0.926 18297 7329 1 15 . 1 1 90 90 LEU H H 435 8.169 8.169 8.471 -0.302 18297 7330 1 15 . 1 1 91 91 PHE N N 436 120.743 120.743 121.491 -0.748 18297 7331 1 15 . 1 1 91 91 PHE HA H 436 5.314 5.314 5.418 -0.104 18297 7332 1 15 . 1 1 91 91 PHE C C 436 174.788 174.788 175.006 -0.218 18297 7333 1 15 . 1 1 91 91 PHE CA C 436 56.327 56.327 56.469 -0.143 18297 7334 1 15 . 1 1 91 91 PHE CB C 436 43.330 43.330 43.285 0.045 18297 7335 1 15 . 1 1 91 91 PHE H H 436 9.222 9.222 9.498 -0.276 18297 7336 1 15 . 1 1 92 92 LYS N N 437 123.120 123.120 122.728 0.392 18297 7337 1 15 . 1 1 92 92 LYS HA H 437 4.708 4.708 5.281 -0.573 18297 7338 1 15 . 1 1 92 92 LYS C C 437 174.606 174.606 174.857 -0.251 18297 7339 1 15 . 1 1 92 92 LYS CA C 437 55.139 55.139 55.159 -0.020 18297 7340 1 15 . 1 1 92 92 LYS CB C 437 34.269 34.269 35.265 -0.996 18297 7341 1 15 . 1 1 92 92 LYS H H 437 8.908 8.908 9.345 -0.437 18297 7342 1 15 . 1 1 93 93 LEU N N 438 128.422 128.422 126.462 1.960 18297 7343 1 15 . 1 1 93 93 LEU HA H 438 4.480 4.480 4.700 -0.220 18297 7344 1 15 . 1 1 93 93 LEU C C 438 175.327 175.327 174.529 0.798 18297 7345 1 15 . 1 1 93 93 LEU CA C 438 55.139 55.139 53.444 1.695 18297 7346 1 15 . 1 1 93 93 LEU CB C 438 43.976 43.976 43.246 0.730 18297 7347 1 15 . 1 1 93 93 LEU H H 438 8.755 8.755 8.158 0.597 18297 7348 1 15 . 1 1 94 94 HIS N N 439 123.859 123.859 126.510 -2.651 18297 7349 1 15 . 1 1 94 94 HIS HA H 439 5.180 5.180 4.782 0.398 18297 7350 1 15 . 1 1 94 94 HIS C C 439 174.297 174.297 173.683 0.614 18297 7351 1 15 . 1 1 94 94 HIS CA C 439 53.396 53.396 54.234 -0.838 18297 7352 1 15 . 1 1 94 94 HIS CB C 439 30.786 30.786 33.011 -2.225 18297 7353 1 15 . 1 1 94 94 HIS H H 439 8.891 8.891 8.825 0.066 18297 7354 1 15 . 1 1 95 95 PHE N N 440 123.544 123.544 124.091 -0.547 18297 7355 1 15 . 1 1 95 95 PHE HA H 440 6.231 6.231 5.646 0.585 18297 7356 1 15 . 1 1 95 95 PHE C C 440 178.229 178.229 176.451 1.778 18297 7357 1 15 . 1 1 95 95 PHE CA C 440 53.690 53.690 57.447 -3.757 18297 7358 1 15 . 1 1 95 95 PHE CB C 440 39.477 39.477 39.852 -0.375 18297 7359 1 15 . 1 1 95 95 PHE H H 440 8.896 8.896 8.802 0.094 18297 7360 1 15 . 1 1 96 96 THR N N 441 114.382 114.382 120.342 -5.960 18297 7361 1 15 . 1 1 96 96 THR HA H 441 4.617 4.617 4.656 -0.039 18297 7362 1 15 . 1 1 96 96 THR C C 441 173.867 173.867 173.515 0.352 18297 7363 1 15 . 1 1 96 96 THR CA C 441 61.327 61.327 60.614 0.713 18297 7364 1 15 . 1 1 96 96 THR CB C 441 69.561 69.561 69.814 -0.253 18297 7365 1 15 . 1 1 96 96 THR H H 441 7.973 7.973 8.860 -0.887 18297 7366 1 16 . 1 1 2 2 SER HA H 347 4.570 4.570 4.700 -0.130 18297 7367 1 16 . 1 1 2 2 SER C C 347 174.335 174.335 174.298 0.037 18297 7368 1 16 . 1 1 2 2 SER CA C 347 58.350 58.350 57.422 0.928 18297 7369 1 16 . 1 1 2 2 SER CB C 347 63.999 63.999 65.518 -1.519 18297 7370 1 16 . 1 1 3 3 GLN N N 348 122.478 122.478 122.278 0.200 18297 7371 1 16 . 1 1 3 3 GLN HA H 348 4.430 4.430 4.385 0.045 18297 7372 1 16 . 1 1 3 3 GLN C C 348 175.651 175.651 175.862 -0.211 18297 7373 1 16 . 1 1 3 3 GLN CA C 348 55.743 55.743 56.323 -0.580 18297 7374 1 16 . 1 1 3 3 GLN CB C 348 29.750 29.750 29.264 0.486 18297 7375 1 16 . 1 1 3 3 GLN H H 348 8.532 8.532 8.718 -0.186 18297 7376 1 16 . 1 1 4 4 LEU N N 349 125.369 125.369 122.116 3.253 18297 7377 1 16 . 1 1 4 4 LEU HA H 349 4.634 4.634 4.585 0.049 18297 7378 1 16 . 1 1 4 4 LEU C C 349 175.324 175.324 175.180 0.144 18297 7379 1 16 . 1 1 4 4 LEU CA C 349 53.197 53.197 52.476 0.721 18297 7380 1 16 . 1 1 4 4 LEU CB C 349 41.867 41.867 41.757 0.110 18297 7381 1 16 . 1 1 4 4 LEU H H 349 8.403 8.403 7.553 0.850 18297 7382 1 16 . 1 1 5 5 PRO HA H 350 4.360 4.360 4.517 -0.157 18297 7383 1 16 . 1 1 5 5 PRO C C 350 176.639 176.639 175.726 0.913 18297 7384 1 16 . 1 1 5 5 PRO CA C 350 62.748 62.748 62.419 0.329 18297 7385 1 16 . 1 1 5 5 PRO CB C 350 32.319 32.319 32.188 0.131 18297 7386 1 16 . 1 1 6 6 GLN N N 351 121.707 121.707 122.549 -0.842 18297 7387 1 16 . 1 1 6 6 GLN HA H 351 4.428 4.428 4.528 -0.100 18297 7388 1 16 . 1 1 6 6 GLN C C 351 175.898 175.898 174.987 0.911 18297 7389 1 16 . 1 1 6 6 GLN CA C 351 55.678 55.678 54.753 0.925 18297 7390 1 16 . 1 1 6 6 GLN CB C 351 30.054 30.054 31.675 -1.621 18297 7391 1 16 . 1 1 6 6 GLN H H 351 8.255 8.255 8.649 -0.394 18297 7392 1 16 . 1 1 7 7 ASN N N 352 123.275 123.275 119.584 3.691 18297 7393 1 16 . 1 1 7 7 ASN HA H 352 5.470 5.470 5.507 -0.037 18297 7394 1 16 . 1 1 7 7 ASN C C 352 175.324 175.324 175.352 -0.028 18297 7395 1 16 . 1 1 7 7 ASN CA C 352 54.009 54.009 52.541 1.468 18297 7396 1 16 . 1 1 7 7 ASN CB C 352 40.414 40.414 40.324 0.090 18297 7397 1 16 . 1 1 7 7 ASN H H 352 8.860 8.860 8.606 0.254 18297 7398 1 16 . 1 1 8 8 ILE N N 353 119.104 119.104 115.050 4.054 18297 7399 1 16 . 1 1 8 8 ILE HA H 353 4.625 4.625 4.534 0.091 18297 7400 1 16 . 1 1 8 8 ILE C C 353 173.669 173.669 173.597 0.072 18297 7401 1 16 . 1 1 8 8 ILE CA C 353 60.201 60.201 59.563 0.638 18297 7402 1 16 . 1 1 8 8 ILE CB C 353 41.404 41.404 41.202 0.202 18297 7403 1 16 . 1 1 8 8 ILE H H 353 8.808 8.808 8.987 -0.179 18297 7404 1 16 . 1 1 9 9 GLN N N 354 122.671 122.671 124.597 -1.926 18297 7405 1 16 . 1 1 9 9 GLN HA H 354 5.586 5.586 5.200 0.386 18297 7406 1 16 . 1 1 9 9 GLN C C 354 174.274 174.274 174.110 0.164 18297 7407 1 16 . 1 1 9 9 GLN CA C 354 54.491 54.491 53.988 0.503 18297 7408 1 16 . 1 1 9 9 GLN CB C 354 31.120 31.120 31.467 -0.347 18297 7409 1 16 . 1 1 9 9 GLN H H 354 8.021 8.021 8.388 -0.367 18297 7410 1 16 . 1 1 10 10 PHE N N 355 120.679 120.679 125.056 -4.377 18297 7411 1 16 . 1 1 10 10 PHE HA H 355 4.635 4.635 4.705 -0.070 18297 7412 1 16 . 1 1 10 10 PHE C C 355 174.715 174.715 174.519 0.196 18297 7413 1 16 . 1 1 10 10 PHE CA C 355 57.226 57.226 56.310 0.916 18297 7414 1 16 . 1 1 10 10 PHE CB C 355 45.969 45.969 43.600 2.369 18297 7415 1 16 . 1 1 10 10 PHE H H 355 8.403 8.403 9.070 -0.667 18297 7416 1 16 . 1 1 11 11 SER N N 356 116.116 116.116 117.168 -1.052 18297 7417 1 16 . 1 1 11 11 SER HA H 356 5.020 5.020 5.143 -0.123 18297 7418 1 16 . 1 1 11 11 SER C C 356 174.917 174.917 174.120 0.797 18297 7419 1 16 . 1 1 11 11 SER CA C 356 56.110 56.110 56.252 -0.142 18297 7420 1 16 . 1 1 11 11 SER CB C 356 63.879 63.879 63.238 0.641 18297 7421 1 16 . 1 1 11 11 SER H H 356 8.757 8.757 8.678 0.079 18297 7422 1 16 . 1 1 12 12 PRO HA H 357 3.776 3.776 4.226 -0.450 18297 7423 1 16 . 1 1 12 12 PRO C C 357 176.155 176.155 177.577 -1.422 18297 7424 1 16 . 1 1 12 12 PRO CA C 357 64.886 64.886 64.858 0.028 18297 7425 1 16 . 1 1 12 12 PRO CB C 357 31.222 31.222 31.528 -0.306 18297 7426 1 16 . 1 1 13 13 SER N N 358 107.859 107.859 109.540 -1.681 18297 7427 1 16 . 1 1 13 13 SER HA H 358 4.388 4.388 4.403 -0.015 18297 7428 1 16 . 1 1 13 13 SER C C 358 173.972 173.972 173.811 0.161 18297 7429 1 16 . 1 1 13 13 SER CA C 358 57.728 57.728 58.144 -0.416 18297 7430 1 16 . 1 1 13 13 SER CB C 358 63.879 63.879 62.950 0.929 18297 7431 1 16 . 1 1 13 13 SER H H 358 7.636 7.636 8.170 -0.534 18297 7432 1 16 . 1 1 14 14 ALA N N 359 126.012 126.012 124.953 1.059 18297 7433 1 16 . 1 1 14 14 ALA HA H 359 4.320 4.320 4.346 -0.026 18297 7434 1 16 . 1 1 14 14 ALA C C 359 177.288 177.288 175.888 1.400 18297 7435 1 16 . 1 1 14 14 ALA CA C 359 52.849 52.849 52.510 0.339 18297 7436 1 16 . 1 1 14 14 ALA CB C 359 19.372 19.372 19.866 -0.494 18297 7437 1 16 . 1 1 14 14 ALA H H 359 7.937 7.937 8.172 -0.235 18297 7438 1 16 . 1 1 15 15 LYS N N 360 119.699 119.699 121.017 -1.318 18297 7439 1 16 . 1 1 15 15 LYS HA H 360 4.751 4.751 4.807 -0.056 18297 7440 1 16 . 1 1 15 15 LYS C C 360 179.638 179.638 177.306 2.332 18297 7441 1 16 . 1 1 15 15 LYS CA C 360 54.815 54.815 54.701 0.114 18297 7442 1 16 . 1 1 15 15 LYS CB C 360 33.127 33.127 33.818 -0.691 18297 7443 1 16 . 1 1 15 15 LYS H H 360 8.523 8.523 8.149 0.374 18297 7444 1 16 . 1 1 16 16 LEU N N 361 123.297 123.297 123.244 0.053 18297 7445 1 16 . 1 1 16 16 LEU HA H 361 3.828 3.828 3.882 -0.054 18297 7446 1 16 . 1 1 16 16 LEU C C 361 178.714 178.714 178.018 0.696 18297 7447 1 16 . 1 1 16 16 LEU CA C 361 58.321 58.321 58.257 0.064 18297 7448 1 16 . 1 1 16 16 LEU CB C 361 40.240 40.240 41.854 -1.614 18297 7449 1 16 . 1 1 16 16 LEU H H 361 8.383 8.383 8.089 0.293 18297 7450 1 16 . 1 1 17 17 GLN N N 362 117.900 117.900 116.842 1.058 18297 7451 1 16 . 1 1 17 17 GLN HA H 362 3.621 3.621 3.839 -0.218 18297 7452 1 16 . 1 1 17 17 GLN C C 362 176.370 176.370 177.768 -1.398 18297 7453 1 16 . 1 1 17 17 GLN CA C 362 58.547 58.547 58.680 -0.133 18297 7454 1 16 . 1 1 17 17 GLN CB C 362 29.442 29.442 27.852 1.590 18297 7455 1 16 . 1 1 17 17 GLN H H 362 8.766 8.766 7.642 1.124 18297 7456 1 16 . 1 1 18 18 GLU N N 363 116.341 116.341 119.864 -3.523 18297 7457 1 16 . 1 1 18 18 GLU HA H 363 4.201 4.201 4.281 -0.080 18297 7458 1 16 . 1 1 18 18 GLU C C 363 180.135 180.135 179.186 0.949 18297 7459 1 16 . 1 1 18 18 GLU CA C 363 59.669 59.669 58.634 1.035 18297 7460 1 16 . 1 1 18 18 GLU CB C 363 29.870 29.870 28.876 0.994 18297 7461 1 16 . 1 1 18 18 GLU H H 363 7.783 7.783 7.461 0.322 18297 7462 1 16 . 1 1 19 19 VAL N N 364 120.647 120.647 119.062 1.585 18297 7463 1 16 . 1 1 19 19 VAL HA H 364 3.421 3.421 3.631 -0.210 18297 7464 1 16 . 1 1 19 19 VAL C C 364 177.380 177.380 177.833 -0.453 18297 7465 1 16 . 1 1 19 19 VAL CA C 364 65.433 65.433 65.787 -0.354 18297 7466 1 16 . 1 1 19 19 VAL CB C 364 30.964 30.964 31.212 -0.248 18297 7467 1 16 . 1 1 19 19 VAL H H 364 7.224 7.224 7.438 -0.214 18297 7468 1 16 . 1 1 20 20 LEU N N 365 120.743 120.743 119.629 1.114 18297 7469 1 16 . 1 1 20 20 LEU HA H 365 3.916 3.916 3.830 0.086 18297 7470 1 16 . 1 1 20 20 LEU C C 365 178.974 178.974 178.585 0.389 18297 7471 1 16 . 1 1 20 20 LEU CA C 365 58.612 58.612 57.619 0.993 18297 7472 1 16 . 1 1 20 20 LEU CB C 365 41.425 41.425 41.163 0.262 18297 7473 1 16 . 1 1 20 20 LEU H H 365 7.517 7.517 7.318 0.199 18297 7474 1 16 . 1 1 21 21 ASP N N 366 119.329 119.329 118.663 0.666 18297 7475 1 16 . 1 1 21 21 ASP HA H 366 4.306 4.306 4.348 -0.042 18297 7476 1 16 . 1 1 21 21 ASP C C 366 177.992 177.992 179.081 -1.089 18297 7477 1 16 . 1 1 21 21 ASP CA C 366 57.405 57.405 57.313 0.092 18297 7478 1 16 . 1 1 21 21 ASP CB C 366 40.265 40.265 40.798 -0.533 18297 7479 1 16 . 1 1 21 21 ASP H H 366 8.805 8.805 7.649 1.156 18297 7480 1 16 . 1 1 22 22 TYR N N 367 121.643 121.643 120.630 1.013 18297 7481 1 16 . 1 1 22 22 TYR HA H 367 4.305 4.305 4.162 0.143 18297 7482 1 16 . 1 1 22 22 TYR C C 367 177.701 177.701 177.114 0.587 18297 7483 1 16 . 1 1 22 22 TYR CA C 367 61.777 61.777 60.451 1.326 18297 7484 1 16 . 1 1 22 22 TYR CB C 367 38.801 38.801 38.771 0.030 18297 7485 1 16 . 1 1 22 22 TYR H H 367 7.718 7.718 7.678 0.040 18297 7486 1 16 . 1 1 23 23 LEU N N 368 118.414 118.414 119.043 -0.629 18297 7487 1 16 . 1 1 23 23 LEU HA H 368 3.910 3.910 4.075 -0.165 18297 7488 1 16 . 1 1 23 23 LEU C C 368 178.019 178.019 177.644 0.375 18297 7489 1 16 . 1 1 23 23 LEU CA C 368 57.773 57.773 57.324 0.449 18297 7490 1 16 . 1 1 23 23 LEU CB C 368 42.032 42.032 42.426 -0.394 18297 7491 1 16 . 1 1 23 23 LEU H H 368 8.060 8.060 7.672 0.388 18297 7492 1 16 . 1 1 24 24 THR N N 369 106.606 106.606 110.083 -3.477 18297 7493 1 16 . 1 1 24 24 THR HA H 369 4.507 4.507 4.362 0.145 18297 7494 1 16 . 1 1 24 24 THR C C 369 176.576 176.576 173.936 2.640 18297 7495 1 16 . 1 1 24 24 THR CA C 369 63.245 63.245 63.005 0.240 18297 7496 1 16 . 1 1 24 24 THR CB C 369 70.517 70.517 70.159 0.358 18297 7497 1 16 . 1 1 24 24 THR H H 369 8.017 8.017 7.766 0.251 18297 7498 1 16 . 1 1 25 25 ASN N N 370 118.847 118.847 118.749 0.098 18297 7499 1 16 . 1 1 25 25 ASN HA H 370 4.846 4.846 4.998 -0.152 18297 7500 1 16 . 1 1 25 25 ASN C C 370 176.455 176.455 174.993 1.462 18297 7501 1 16 . 1 1 25 25 ASN CA C 370 53.944 53.944 52.538 1.405 18297 7502 1 16 . 1 1 25 25 ASN CB C 370 39.718 39.718 41.626 -1.908 18297 7503 1 16 . 1 1 25 25 ASN H H 370 8.149 8.149 8.349 -0.200 18297 7504 1 16 . 1 1 26 26 SER N N 371 116.888 116.888 116.848 0.040 18297 7505 1 16 . 1 1 26 26 SER HA H 371 4.375 4.375 4.484 -0.109 18297 7506 1 16 . 1 1 26 26 SER C C 371 176.257 176.257 174.997 1.260 18297 7507 1 16 . 1 1 26 26 SER CA C 371 59.603 59.603 61.162 -1.559 18297 7508 1 16 . 1 1 26 26 SER CB C 371 63.792 63.792 63.483 0.308 18297 7509 1 16 . 1 1 26 26 SER H H 371 7.889 7.889 8.731 -0.842 18297 7510 1 16 . 1 1 27 27 ALA N N 372 128.743 128.743 120.361 8.382 18297 7511 1 16 . 1 1 27 27 ALA HA H 372 4.228 4.228 4.314 -0.086 18297 7512 1 16 . 1 1 27 27 ALA C C 372 178.538 178.538 179.758 -1.220 18297 7513 1 16 . 1 1 27 27 ALA CA C 372 54.491 54.491 53.807 0.684 18297 7514 1 16 . 1 1 27 27 ALA CB C 372 18.772 18.772 18.127 0.645 18297 7515 1 16 . 1 1 27 27 ALA H H 372 8.836 8.836 8.311 0.525 18297 7516 1 16 . 1 1 28 28 SER N N 373 110.751 110.751 114.243 -3.492 18297 7517 1 16 . 1 1 28 28 SER HA H 373 4.426 4.426 4.482 -0.056 18297 7518 1 16 . 1 1 28 28 SER C C 373 174.548 174.548 175.472 -0.924 18297 7519 1 16 . 1 1 28 28 SER CA C 373 59.415 59.415 59.807 -0.392 18297 7520 1 16 . 1 1 28 28 SER CB C 373 63.394 63.394 62.961 0.433 18297 7521 1 16 . 1 1 28 28 SER H H 373 8.069 8.069 8.199 -0.130 18297 7522 1 16 . 1 1 29 29 LEU N N 374 122.012 122.012 120.959 1.053 18297 7523 1 16 . 1 1 29 29 LEU HA H 374 4.465 4.465 4.590 -0.125 18297 7524 1 16 . 1 1 29 29 LEU C C 374 175.716 175.716 176.894 -1.178 18297 7525 1 16 . 1 1 29 29 LEU CA C 374 56.132 56.132 53.935 2.197 18297 7526 1 16 . 1 1 29 29 LEU CB C 374 44.295 44.295 41.798 2.497 18297 7527 1 16 . 1 1 29 29 LEU H H 374 7.547 7.547 7.852 -0.305 18297 7528 1 16 . 1 1 30 30 GLN N N 375 116.052 116.052 118.382 -2.330 18297 7529 1 16 . 1 1 30 30 GLN HA H 375 4.003 4.003 4.061 -0.058 18297 7530 1 16 . 1 1 30 30 GLN C C 375 175.498 175.498 176.420 -0.922 18297 7531 1 16 . 1 1 30 30 GLN CA C 375 56.434 56.434 58.327 -1.893 18297 7532 1 16 . 1 1 30 30 GLN CB C 375 27.948 27.948 27.907 0.041 18297 7533 1 16 . 1 1 30 30 GLN H H 375 8.060 8.060 7.684 0.376 18297 7534 1 16 . 1 1 31 31 MET N N 376 117.691 117.691 115.480 2.211 18297 7535 1 16 . 1 1 31 31 MET HA H 376 4.283 4.283 4.653 -0.370 18297 7536 1 16 . 1 1 31 31 MET C C 376 175.843 175.843 176.238 -0.395 18297 7537 1 16 . 1 1 31 31 MET CA C 376 57.728 57.728 56.056 1.672 18297 7538 1 16 . 1 1 31 31 MET CB C 376 33.451 33.451 33.410 0.041 18297 7539 1 16 . 1 1 31 31 MET H H 376 8.211 8.211 7.951 0.260 18297 7540 1 16 . 1 1 32 32 LYS N N 377 122.028 122.028 119.972 2.056 18297 7541 1 16 . 1 1 32 32 LYS HA H 377 4.414 4.414 4.250 0.164 18297 7542 1 16 . 1 1 32 32 LYS C C 377 177.837 177.837 176.451 1.386 18297 7543 1 16 . 1 1 32 32 LYS CA C 377 58.052 58.052 56.863 1.189 18297 7544 1 16 . 1 1 32 32 LYS CB C 377 34.994 34.994 32.033 2.961 18297 7545 1 16 . 1 1 32 32 LYS H H 377 9.461 9.461 8.395 1.066 18297 7546 1 16 . 1 1 33 33 SER N N 378 115.056 115.056 116.742 -1.686 18297 7547 1 16 . 1 1 33 33 SER HA H 378 4.650 4.650 4.558 0.092 18297 7548 1 16 . 1 1 33 33 SER C C 378 172.026 172.026 173.397 -1.371 18297 7549 1 16 . 1 1 33 33 SER CA C 378 55.038 55.038 57.081 -2.043 18297 7550 1 16 . 1 1 33 33 SER CB C 378 62.908 62.908 62.996 -0.088 18297 7551 1 16 . 1 1 33 33 SER H H 378 10.101 10.101 7.456 2.645 18297 7552 1 16 . 1 1 34 34 PRO HA H 379 5.043 5.043 4.397 0.645 18297 7553 1 16 . 1 1 34 34 PRO C C 379 175.422 175.422 175.585 -0.163 18297 7554 1 16 . 1 1 34 34 PRO CA C 379 63.792 63.792 63.304 0.488 18297 7555 1 16 . 1 1 34 34 PRO CB C 379 33.703 33.703 32.526 1.177 18297 7556 1 16 . 1 1 35 35 ALA N N 380 121.498 121.498 122.730 -1.232 18297 7557 1 16 . 1 1 35 35 ALA HA H 380 5.137 5.137 4.935 0.202 18297 7558 1 16 . 1 1 35 35 ALA C C 380 177.313 177.313 176.076 1.237 18297 7559 1 16 . 1 1 35 35 ALA CA C 380 50.661 50.661 50.571 0.090 18297 7560 1 16 . 1 1 35 35 ALA CB C 380 22.118 22.118 21.969 0.149 18297 7561 1 16 . 1 1 35 35 ALA H H 380 8.894 8.894 8.976 -0.082 18297 7562 1 16 . 1 1 36 36 ILE N N 381 120.470 120.470 118.974 1.496 18297 7563 1 16 . 1 1 36 36 ILE HA H 381 4.967 4.967 5.546 -0.579 18297 7564 1 16 . 1 1 36 36 ILE C C 381 175.314 175.314 175.009 0.305 18297 7565 1 16 . 1 1 36 36 ILE CA C 381 61.056 61.056 59.280 1.776 18297 7566 1 16 . 1 1 36 36 ILE CB C 381 41.364 41.364 40.748 0.615 18297 7567 1 16 . 1 1 36 36 ILE H H 381 9.038 9.038 9.072 -0.034 18297 7568 1 16 . 1 1 37 37 THR N N 382 123.297 123.297 121.461 1.836 18297 7569 1 16 . 1 1 37 37 THR HA H 382 5.252 5.252 5.004 0.248 18297 7570 1 16 . 1 1 37 37 THR C C 382 172.289 172.289 172.750 -0.461 18297 7571 1 16 . 1 1 37 37 THR CA C 382 60.977 60.977 61.401 -0.424 18297 7572 1 16 . 1 1 37 37 THR CB C 382 71.919 71.919 71.888 0.031 18297 7573 1 16 . 1 1 37 37 THR H H 382 9.363 9.363 8.885 0.478 18297 7574 1 16 . 1 1 38 38 ALA N N 383 123.340 123.340 127.028 -3.688 18297 7575 1 16 . 1 1 38 38 ALA HA H 383 4.935 4.935 5.004 -0.069 18297 7576 1 16 . 1 1 38 38 ALA C C 383 175.743 175.743 175.378 0.365 18297 7577 1 16 . 1 1 38 38 ALA CA C 383 51.147 51.147 50.641 0.506 18297 7578 1 16 . 1 1 38 38 ALA CB C 383 22.758 22.758 22.753 0.005 18297 7579 1 16 . 1 1 38 38 ALA H H 383 8.896 8.896 9.134 -0.238 18297 7580 1 16 . 1 1 39 39 THR N N 384 118.815 118.815 114.979 3.836 18297 7581 1 16 . 1 1 39 39 THR HA H 384 4.892 4.892 5.125 -0.233 18297 7582 1 16 . 1 1 39 39 THR C C 384 174.098 174.098 173.955 0.143 18297 7583 1 16 . 1 1 39 39 THR CA C 384 62.310 62.310 60.863 1.447 18297 7584 1 16 . 1 1 39 39 THR CB C 384 69.263 69.263 69.757 -0.494 18297 7585 1 16 . 1 1 39 39 THR H H 384 8.968 8.968 8.641 0.327 18297 7586 1 16 . 1 1 40 40 LEU N N 385 128.711 128.711 127.199 1.512 18297 7587 1 16 . 1 1 40 40 LEU HA H 385 4.791 4.791 4.619 0.172 18297 7588 1 16 . 1 1 40 40 LEU C C 385 176.479 176.479 175.913 0.566 18297 7589 1 16 . 1 1 40 40 LEU CA C 385 53.944 53.944 54.145 -0.201 18297 7590 1 16 . 1 1 40 40 LEU CB C 385 44.966 44.966 44.280 0.686 18297 7591 1 16 . 1 1 40 40 LEU H H 385 8.667 8.667 9.116 -0.449 18297 7592 1 16 . 1 1 41 41 GLU N N 386 124.470 124.470 126.358 -1.888 18297 7593 1 16 . 1 1 41 41 GLU HA H 386 3.936 3.936 3.865 0.071 18297 7594 1 16 . 1 1 41 41 GLU C C 386 176.878 176.878 176.606 0.272 18297 7595 1 16 . 1 1 41 41 GLU CA C 386 57.226 57.226 56.598 0.628 18297 7596 1 16 . 1 1 41 41 GLU CB C 386 27.735 27.735 29.116 -1.381 18297 7597 1 16 . 1 1 41 41 GLU H H 386 9.547 9.547 9.456 0.091 18297 7598 1 16 . 1 1 42 42 GLY N N 387 104.068 104.068 101.641 2.427 18297 7599 1 16 . 1 1 42 42 GLY C C 387 173.993 173.993 174.415 -0.422 18297 7600 1 16 . 1 1 42 42 GLY CA C 387 45.596 45.596 45.386 0.210 18297 7601 1 16 . 1 1 42 42 GLY H H 387 8.578 8.578 8.393 0.185 18297 7602 1 16 . 1 1 43 43 LYS N N 388 120.422 120.422 121.186 -0.764 18297 7603 1 16 . 1 1 43 43 LYS HA H 388 4.701 4.701 4.522 0.179 18297 7604 1 16 . 1 1 43 43 LYS C C 388 175.054 175.054 175.257 -0.203 18297 7605 1 16 . 1 1 43 43 LYS CA C 388 54.491 54.491 54.190 0.301 18297 7606 1 16 . 1 1 43 43 LYS CB C 388 34.968 34.968 33.687 1.281 18297 7607 1 16 . 1 1 43 43 LYS H H 388 7.826 7.826 7.805 0.021 18297 7608 1 16 . 1 1 44 44 ASN N N 389 122.606 122.606 120.880 1.726 18297 7609 1 16 . 1 1 44 44 ASN HA H 389 4.895 4.895 4.734 0.161 18297 7610 1 16 . 1 1 44 44 ASN C C 389 174.905 174.905 174.789 0.116 18297 7611 1 16 . 1 1 44 44 ASN CA C 389 53.944 53.944 53.479 0.465 18297 7612 1 16 . 1 1 44 44 ASN CB C 389 39.229 39.229 39.419 -0.190 18297 7613 1 16 . 1 1 44 44 ASN H H 389 8.827 8.827 8.797 0.030 18297 7614 1 16 . 1 1 45 45 ARG N N 390 125.867 125.867 128.022 -2.155 18297 7615 1 16 . 1 1 45 45 ARG HA H 390 4.756 4.756 4.704 0.052 18297 7616 1 16 . 1 1 45 45 ARG C C 390 175.224 175.224 174.739 0.485 18297 7617 1 16 . 1 1 45 45 ARG CA C 390 54.491 54.491 54.245 0.246 18297 7618 1 16 . 1 1 45 45 ARG CB C 390 32.973 32.973 32.489 0.484 18297 7619 1 16 . 1 1 45 45 ARG H H 390 9.220 9.220 9.131 0.089 18297 7620 1 16 . 1 1 46 46 THR N N 391 122.574 122.574 123.485 -0.911 18297 7621 1 16 . 1 1 46 46 THR HA H 391 4.289 4.289 4.499 -0.210 18297 7622 1 16 . 1 1 46 46 THR C C 391 174.010 174.010 173.728 0.282 18297 7623 1 16 . 1 1 46 46 THR CA C 391 63.509 63.509 62.756 0.753 18297 7624 1 16 . 1 1 46 46 THR CB C 391 68.716 68.716 69.492 -0.776 18297 7625 1 16 . 1 1 46 46 THR H H 391 8.940 8.940 8.701 0.239 18297 7626 1 16 . 1 1 47 47 LEU N N 392 128.647 128.647 129.585 -0.938 18297 7627 1 16 . 1 1 47 47 LEU HA H 392 4.339 4.339 4.440 -0.101 18297 7628 1 16 . 1 1 47 47 LEU C C 392 176.670 176.670 176.005 0.665 18297 7629 1 16 . 1 1 47 47 LEU CA C 392 56.132 56.132 56.116 0.016 18297 7630 1 16 . 1 1 47 47 LEU CB C 392 42.678 42.678 43.546 -0.868 18297 7631 1 16 . 1 1 47 47 LEU H H 392 9.096 9.096 8.701 0.395 18297 7632 1 16 . 1 1 48 48 TYR N N 393 113.514 113.514 117.615 -4.101 18297 7633 1 16 . 1 1 48 48 TYR HA H 393 4.618 4.618 4.611 0.007 18297 7634 1 16 . 1 1 48 48 TYR C C 393 173.455 173.455 173.019 0.436 18297 7635 1 16 . 1 1 48 48 TYR CA C 393 59.415 59.415 58.007 1.408 18297 7636 1 16 . 1 1 48 48 TYR CB C 393 41.384 41.384 41.819 -0.436 18297 7637 1 16 . 1 1 48 48 TYR H H 393 7.562 7.562 7.813 -0.251 18297 7638 1 16 . 1 1 57 57 GLU N N 402 128.181 128.181 119.783 8.398 18297 7639 1 16 . 1 1 57 57 GLU H H 402 8.645 8.645 8.444 0.201 18297 7640 1 16 . 1 1 58 58 ARG N N 403 117.080 117.080 123.340 -6.260 18297 7641 1 16 . 1 1 58 58 ARG HA H 403 4.302 4.302 4.327 -0.025 18297 7642 1 16 . 1 1 58 58 ARG CA C 403 58.321 58.321 56.716 1.605 18297 7643 1 16 . 1 1 58 58 ARG CB C 403 31.165 31.165 29.837 1.328 18297 7644 1 16 . 1 1 58 58 ARG H H 403 8.278 8.278 8.728 -0.450 18297 7645 1 16 . 1 1 59 59 THR N N 404 108.390 108.390 116.714 -8.324 18297 7646 1 16 . 1 1 59 59 THR HA H 404 4.932 4.932 3.811 1.121 18297 7647 1 16 . 1 1 59 59 THR H H 404 8.301 8.301 8.677 -0.376 18297 7648 1 16 . 1 1 60 60 ARG N N 405 126.639 126.639 120.294 6.345 18297 7649 1 16 . 1 1 60 60 ARG H H 405 8.549 8.549 8.024 0.525 18297 7650 1 16 . 1 1 61 61 PRO HA H 406 4.431 4.431 4.263 0.168 18297 7651 1 16 . 1 1 61 61 PRO C C 406 178.434 178.434 177.754 0.680 18297 7652 1 16 . 1 1 61 61 PRO CA C 406 65.980 65.980 65.323 0.657 18297 7653 1 16 . 1 1 61 61 PRO CB C 406 31.348 31.348 32.021 -0.673 18297 7654 1 16 . 1 1 62 62 ASN N N 407 114.574 114.574 116.604 -2.030 18297 7655 1 16 . 1 1 62 62 ASN HA H 407 4.390 4.390 4.529 -0.139 18297 7656 1 16 . 1 1 62 62 ASN C C 407 177.863 177.863 177.592 0.271 18297 7657 1 16 . 1 1 62 62 ASN CA C 407 55.308 55.308 55.599 -0.291 18297 7658 1 16 . 1 1 62 62 ASN CB C 407 37.530 37.530 37.463 0.067 18297 7659 1 16 . 1 1 62 62 ASN H H 407 8.481 8.481 8.726 -0.245 18297 7660 1 16 . 1 1 63 63 LEU N N 408 115.667 115.667 118.987 -3.320 18297 7661 1 16 . 1 1 63 63 LEU HA H 408 3.861 3.861 4.208 -0.347 18297 7662 1 16 . 1 1 63 63 LEU C C 408 177.708 177.708 178.570 -0.862 18297 7663 1 16 . 1 1 63 63 LEU CA C 408 57.667 57.667 57.291 0.376 18297 7664 1 16 . 1 1 63 63 LEU CB C 408 41.706 41.706 41.694 0.012 18297 7665 1 16 . 1 1 63 63 LEU H H 408 8.022 8.022 8.096 -0.074 18297 7666 1 16 . 1 1 64 64 SER N N 409 109.209 109.209 112.612 -3.403 18297 7667 1 16 . 1 1 64 64 SER HA H 409 4.588 4.588 4.396 0.192 18297 7668 1 16 . 1 1 64 64 SER C C 409 173.870 173.870 174.932 -1.062 18297 7669 1 16 . 1 1 64 64 SER CA C 409 58.321 58.321 59.415 -1.094 18297 7670 1 16 . 1 1 64 64 SER CB C 409 63.855 63.855 63.425 0.430 18297 7671 1 16 . 1 1 64 64 SER H H 409 7.232 7.232 7.623 -0.391 18297 7672 1 16 . 1 1 65 65 LYS N N 410 122.735 122.735 120.425 2.310 18297 7673 1 16 . 1 1 65 65 LYS HA H 410 4.609 4.609 4.411 0.198 18297 7674 1 16 . 1 1 65 65 LYS C C 410 175.946 175.946 175.578 0.368 18297 7675 1 16 . 1 1 65 65 LYS CA C 410 55.463 55.463 55.264 0.199 18297 7676 1 16 . 1 1 65 65 LYS CB C 410 34.422 34.422 34.294 0.128 18297 7677 1 16 . 1 1 65 65 LYS H H 410 7.543 7.543 7.363 0.180 18297 7678 1 16 . 1 1 66 66 THR N N 411 110.944 110.944 111.352 -0.408 18297 7679 1 16 . 1 1 66 66 THR HA H 411 5.003 5.003 4.720 0.283 18297 7680 1 16 . 1 1 66 66 THR C C 411 176.038 176.038 176.633 -0.595 18297 7681 1 16 . 1 1 66 66 THR CA C 411 60.221 60.221 60.424 -0.203 18297 7682 1 16 . 1 1 66 66 THR CB C 411 70.956 70.956 70.903 0.053 18297 7683 1 16 . 1 1 66 66 THR H H 411 8.980 8.980 8.167 0.813 18297 7684 1 16 . 1 1 67 67 LEU N N 412 118.076 118.076 121.149 -3.073 18297 7685 1 16 . 1 1 67 67 LEU HA H 412 3.961 3.961 3.990 -0.029 18297 7686 1 16 . 1 1 67 67 LEU C C 412 179.227 179.227 178.612 0.615 18297 7687 1 16 . 1 1 67 67 LEU CA C 412 58.321 58.321 58.525 -0.204 18297 7688 1 16 . 1 1 67 67 LEU CB C 412 39.914 39.914 41.381 -1.467 18297 7689 1 16 . 1 1 67 67 LEU H H 412 8.434 8.434 8.905 -0.471 18297 7690 1 16 . 1 1 68 68 LYS N N 413 116.373 116.373 120.345 -3.972 18297 7691 1 16 . 1 1 68 68 LYS HA H 413 4.285 4.285 3.809 0.476 18297 7692 1 16 . 1 1 68 68 LYS C C 413 181.338 181.338 179.602 1.736 18297 7693 1 16 . 1 1 68 68 LYS CA C 413 58.868 58.868 59.337 -0.469 18297 7694 1 16 . 1 1 68 68 LYS CB C 413 32.606 32.606 32.081 0.525 18297 7695 1 16 . 1 1 68 68 LYS H H 413 8.171 8.171 7.643 0.528 18297 7696 1 16 . 1 1 69 69 GLU N N 414 123.731 123.731 119.732 3.999 18297 7697 1 16 . 1 1 69 69 GLU HA H 414 4.072 4.072 4.089 -0.017 18297 7698 1 16 . 1 1 69 69 GLU C C 414 179.202 179.202 178.931 0.271 18297 7699 1 16 . 1 1 69 69 GLU CA C 414 58.868 58.868 58.691 0.176 18297 7700 1 16 . 1 1 69 69 GLU CB C 414 29.566 29.566 29.268 0.298 18297 7701 1 16 . 1 1 69 69 GLU H H 414 8.326 8.326 8.134 0.192 18297 7702 1 16 . 1 1 70 70 LEU N N 415 119.008 119.008 117.510 1.498 18297 7703 1 16 . 1 1 70 70 LEU HA H 415 4.218 4.218 4.214 0.004 18297 7704 1 16 . 1 1 70 70 LEU C C 415 176.505 176.505 177.775 -1.270 18297 7705 1 16 . 1 1 70 70 LEU CA C 415 55.822 55.822 55.671 0.151 18297 7706 1 16 . 1 1 70 70 LEU CB C 415 43.012 43.012 42.192 0.820 18297 7707 1 16 . 1 1 70 70 LEU H H 415 7.993 7.993 8.019 -0.026 18297 7708 1 16 . 1 1 71 71 GLY N N 416 105.578 105.578 106.621 -1.043 18297 7709 1 16 . 1 1 71 71 GLY C C 416 174.505 174.505 174.287 0.218 18297 7710 1 16 . 1 1 71 71 GLY CA C 416 45.191 45.191 45.178 0.013 18297 7711 1 16 . 1 1 71 71 GLY H H 416 7.880 7.880 7.544 0.336 18297 7712 1 16 . 1 1 72 72 LEU N N 417 119.201 119.201 121.148 -1.947 18297 7713 1 16 . 1 1 72 72 LEU HA H 417 4.599 4.599 4.566 0.033 18297 7714 1 16 . 1 1 72 72 LEU C C 417 176.208 176.208 175.640 0.568 18297 7715 1 16 . 1 1 72 72 LEU CA C 417 54.815 54.815 55.344 -0.529 18297 7716 1 16 . 1 1 72 72 LEU CB C 417 41.867 41.867 43.337 -1.470 18297 7717 1 16 . 1 1 72 72 LEU H H 417 7.466 7.466 7.819 -0.353 18297 7718 1 16 . 1 1 73 73 VAL N N 418 112.871 112.871 121.860 -8.989 18297 7719 1 16 . 1 1 73 73 VAL HA H 418 4.782 4.782 4.340 0.442 18297 7720 1 16 . 1 1 73 73 VAL C C 418 174.804 174.804 174.665 0.139 18297 7721 1 16 . 1 1 73 73 VAL CA C 418 59.070 59.070 58.975 0.095 18297 7722 1 16 . 1 1 73 73 VAL CB C 418 35.557 35.557 35.869 -0.312 18297 7723 1 16 . 1 1 73 73 VAL H H 418 8.003 8.003 8.109 -0.106 18297 7724 1 16 . 1 1 74 74 ASP N N 419 119.972 119.972 122.107 -2.135 18297 7725 1 16 . 1 1 74 74 ASP HA H 419 3.593 3.593 4.893 -1.300 18297 7726 1 16 . 1 1 74 74 ASP C C 419 177.545 177.545 176.989 0.556 18297 7727 1 16 . 1 1 74 74 ASP CA C 419 56.419 56.419 54.894 1.525 18297 7728 1 16 . 1 1 74 74 ASP CB C 419 42.035 42.035 40.927 1.108 18297 7729 1 16 . 1 1 74 74 ASP H H 419 8.250 8.250 8.550 -0.300 18297 7730 1 16 . 1 1 75 75 GLY N N 420 116.020 116.020 112.028 3.992 18297 7731 1 16 . 1 1 75 75 GLY C C 420 173.763 173.763 174.001 -0.238 18297 7732 1 16 . 1 1 75 75 GLY CA C 420 45.354 45.354 44.897 0.457 18297 7733 1 16 . 1 1 75 75 GLY H H 420 8.704 8.704 8.879 -0.175 18297 7734 1 16 . 1 1 76 76 GLN N N 421 121.514 121.514 121.374 0.140 18297 7735 1 16 . 1 1 76 76 GLN HA H 421 4.048 4.048 4.438 -0.390 18297 7736 1 16 . 1 1 76 76 GLN C C 421 175.023 175.023 174.854 0.169 18297 7737 1 16 . 1 1 76 76 GLN CA C 421 56.709 56.709 55.154 1.555 18297 7738 1 16 . 1 1 76 76 GLN CB C 421 29.511 29.511 30.434 -0.923 18297 7739 1 16 . 1 1 76 76 GLN H H 421 7.867 7.867 7.564 0.303 18297 7740 1 16 . 1 1 77 77 GLU N N 422 123.859 123.859 123.052 0.807 18297 7741 1 16 . 1 1 77 77 GLU HA H 422 5.186 5.186 5.237 -0.051 18297 7742 1 16 . 1 1 77 77 GLU C C 422 176.877 176.877 175.716 1.161 18297 7743 1 16 . 1 1 77 77 GLU CA C 422 55.786 55.786 55.038 0.748 18297 7744 1 16 . 1 1 77 77 GLU CB C 422 31.509 31.509 31.637 -0.128 18297 7745 1 16 . 1 1 77 77 GLU H H 422 8.568 8.568 8.500 0.068 18297 7746 1 16 . 1 1 78 78 LEU N N 423 125.867 125.867 124.965 0.902 18297 7747 1 16 . 1 1 78 78 LEU HA H 423 5.080 5.080 4.632 0.448 18297 7748 1 16 . 1 1 78 78 LEU C C 423 174.470 174.470 174.504 -0.034 18297 7749 1 16 . 1 1 78 78 LEU CA C 423 53.686 53.686 53.334 0.352 18297 7750 1 16 . 1 1 78 78 LEU CB C 423 44.966 44.966 45.545 -0.579 18297 7751 1 16 . 1 1 78 78 LEU H H 423 9.313 9.313 9.188 0.125 18297 7752 1 16 . 1 1 79 79 ALA N N 424 126.044 126.044 128.998 -2.954 18297 7753 1 16 . 1 1 79 79 ALA HA H 424 5.206 5.206 5.069 0.137 18297 7754 1 16 . 1 1 79 79 ALA C C 424 176.786 176.786 175.216 1.570 18297 7755 1 16 . 1 1 79 79 ALA CA C 424 51.049 51.049 50.308 0.741 18297 7756 1 16 . 1 1 79 79 ALA CB C 424 20.453 20.453 20.762 -0.310 18297 7757 1 16 . 1 1 79 79 ALA H H 424 8.918 8.918 8.652 0.266 18297 7758 1 16 . 1 1 80 80 VAL N N 425 124.759 124.759 124.845 -0.086 18297 7759 1 16 . 1 1 80 80 VAL HA H 425 5.344 5.344 5.032 0.312 18297 7760 1 16 . 1 1 80 80 VAL C C 425 173.757 173.757 173.537 0.220 18297 7761 1 16 . 1 1 80 80 VAL CA C 425 60.886 60.886 60.132 0.754 18297 7762 1 16 . 1 1 80 80 VAL CB C 425 34.908 34.908 36.306 -1.399 18297 7763 1 16 . 1 1 80 80 VAL H H 425 9.357 9.357 8.701 0.656 18297 7764 1 16 . 1 1 81 81 ALA N N 426 129.353 129.353 130.461 -1.108 18297 7765 1 16 . 1 1 81 81 ALA HA H 426 5.045 5.045 4.761 0.284 18297 7766 1 16 . 1 1 81 81 ALA C C 426 175.938 175.938 174.934 1.004 18297 7767 1 16 . 1 1 81 81 ALA CA C 426 50.133 50.133 50.262 -0.129 18297 7768 1 16 . 1 1 81 81 ALA CB C 426 22.758 22.758 22.052 0.706 18297 7769 1 16 . 1 1 81 81 ALA H H 426 8.502 8.502 9.195 -0.693 18297 7770 1 16 . 1 1 82 82 ASP N N 427 120.165 120.165 121.880 -1.715 18297 7771 1 16 . 1 1 82 82 ASP HA H 427 5.100 5.100 5.005 0.095 18297 7772 1 16 . 1 1 82 82 ASP C C 427 176.669 176.669 176.761 -0.092 18297 7773 1 16 . 1 1 82 82 ASP CA C 427 54.491 54.491 52.292 2.199 18297 7774 1 16 . 1 1 82 82 ASP CB C 427 46.891 46.891 44.562 2.329 18297 7775 1 16 . 1 1 82 82 ASP H H 427 8.906 8.906 8.059 0.847 18297 7776 1 16 . 1 1 83 83 VAL N N 428 119.201 119.201 116.373 2.828 18297 7777 1 16 . 1 1 83 83 VAL HA H 428 4.153 4.153 4.272 -0.119 18297 7778 1 16 . 1 1 83 83 VAL C C 428 177.085 177.085 176.314 0.771 18297 7779 1 16 . 1 1 83 83 VAL CA C 428 63.992 63.992 64.509 -0.517 18297 7780 1 16 . 1 1 83 83 VAL CB C 428 31.772 31.772 31.592 0.180 18297 7781 1 16 . 1 1 83 83 VAL H H 428 8.114 8.114 8.640 -0.526 18297 7782 1 16 . 1 1 84 84 THR N N 429 110.173 110.173 112.558 -2.385 18297 7783 1 16 . 1 1 84 84 THR HA H 429 4.235 4.235 4.507 -0.272 18297 7784 1 16 . 1 1 84 84 THR C C 429 174.905 174.905 174.796 0.109 18297 7785 1 16 . 1 1 84 84 THR CA C 429 63.533 63.533 62.738 0.795 18297 7786 1 16 . 1 1 84 84 THR CB C 429 70.613 70.613 69.600 1.013 18297 7787 1 16 . 1 1 84 84 THR H H 429 7.899 7.899 8.547 -0.648 18297 7788 1 16 . 1 1 85 85 THR N N 430 116.438 116.438 115.179 1.259 18297 7789 1 16 . 1 1 85 85 THR HA H 430 5.132 5.132 4.902 0.230 18297 7790 1 16 . 1 1 85 85 THR C C 430 173.160 173.160 172.562 0.598 18297 7791 1 16 . 1 1 85 85 THR CA C 430 57.863 57.863 58.711 -0.848 18297 7792 1 16 . 1 1 85 85 THR CB C 430 71.050 71.050 70.806 0.244 18297 7793 1 16 . 1 1 85 85 THR H H 430 7.810 7.810 8.338 -0.528 18297 7794 1 16 . 1 1 86 86 PRO HA H 431 4.582 4.582 4.515 0.067 18297 7795 1 16 . 1 1 86 86 PRO CA C 431 64.086 64.086 63.233 0.854 18297 7796 1 16 . 1 1 86 86 PRO CB C 431 31.995 31.995 31.998 -0.003 18297 7797 1 16 . 1 1 87 87 GLN N N 432 117.241 117.241 119.921 -2.680 18297 7798 1 16 . 1 1 87 87 GLN HA H 432 4.618 4.618 4.310 0.308 18297 7799 1 16 . 1 1 87 87 GLN C C 432 175.653 175.653 175.248 0.405 18297 7800 1 16 . 1 1 87 87 GLN CA C 432 54.491 54.491 55.131 -0.640 18297 7801 1 16 . 1 1 87 87 GLN CB C 432 30.799 30.799 28.347 2.452 18297 7802 1 16 . 1 1 87 87 GLN H H 432 7.786 7.786 7.682 0.104 18297 7803 1 16 . 1 1 88 88 THR N N 433 119.651 119.651 117.791 1.860 18297 7804 1 16 . 1 1 88 88 THR HA H 433 4.440 4.440 4.804 -0.364 18297 7805 1 16 . 1 1 88 88 THR C C 433 173.939 173.939 174.264 -0.325 18297 7806 1 16 . 1 1 88 88 THR CA C 433 63.792 63.792 61.313 2.479 18297 7807 1 16 . 1 1 88 88 THR CB C 433 70.357 70.357 69.680 0.677 18297 7808 1 16 . 1 1 88 88 THR H H 433 8.460 8.460 8.242 0.218 18297 7809 1 16 . 1 1 89 89 VAL N N 434 128.068 128.068 124.181 3.887 18297 7810 1 16 . 1 1 89 89 VAL HA H 434 4.153 4.153 4.875 -0.723 18297 7811 1 16 . 1 1 89 89 VAL C C 434 174.083 174.083 174.874 -0.791 18297 7812 1 16 . 1 1 89 89 VAL CA C 434 61.827 61.827 60.243 1.584 18297 7813 1 16 . 1 1 89 89 VAL CB C 434 33.937 33.937 34.873 -0.936 18297 7814 1 16 . 1 1 89 89 VAL H H 434 9.275 9.275 8.467 0.808 18297 7815 1 16 . 1 1 90 90 LEU N N 435 125.755 125.755 125.067 0.688 18297 7816 1 16 . 1 1 90 90 LEU HA H 435 5.304 5.304 5.265 0.039 18297 7817 1 16 . 1 1 90 90 LEU C C 435 176.455 176.455 175.914 0.541 18297 7818 1 16 . 1 1 90 90 LEU CA C 435 53.396 53.396 53.208 0.188 18297 7819 1 16 . 1 1 90 90 LEU CB C 435 44.023 44.023 41.998 2.025 18297 7820 1 16 . 1 1 90 90 LEU H H 435 8.169 8.169 8.197 -0.028 18297 7821 1 16 . 1 1 91 91 PHE N N 436 120.743 120.743 123.079 -2.336 18297 7822 1 16 . 1 1 91 91 PHE HA H 436 5.314 5.314 5.498 -0.184 18297 7823 1 16 . 1 1 91 91 PHE C C 436 174.788 174.788 175.228 -0.440 18297 7824 1 16 . 1 1 91 91 PHE CA C 436 56.327 56.327 56.371 -0.044 18297 7825 1 16 . 1 1 91 91 PHE CB C 436 43.330 43.330 43.178 0.152 18297 7826 1 16 . 1 1 91 91 PHE H H 436 9.222 9.222 9.541 -0.319 18297 7827 1 16 . 1 1 92 92 LYS N N 437 123.120 123.120 122.674 0.446 18297 7828 1 16 . 1 1 92 92 LYS HA H 437 4.708 4.708 5.047 -0.339 18297 7829 1 16 . 1 1 92 92 LYS C C 437 174.606 174.606 175.431 -0.825 18297 7830 1 16 . 1 1 92 92 LYS CA C 437 55.139 55.139 55.529 -0.390 18297 7831 1 16 . 1 1 92 92 LYS CB C 437 34.269 34.269 34.709 -0.440 18297 7832 1 16 . 1 1 92 92 LYS H H 437 8.908 8.908 9.345 -0.437 18297 7833 1 16 . 1 1 93 93 LEU N N 438 128.422 128.422 124.822 3.600 18297 7834 1 16 . 1 1 93 93 LEU HA H 438 4.480 4.480 4.909 -0.429 18297 7835 1 16 . 1 1 93 93 LEU C C 438 175.327 175.327 175.564 -0.237 18297 7836 1 16 . 1 1 93 93 LEU CA C 438 55.139 55.139 53.667 1.472 18297 7837 1 16 . 1 1 93 93 LEU CB C 438 43.976 43.976 41.752 2.224 18297 7838 1 16 . 1 1 93 93 LEU H H 438 8.755 8.755 8.557 0.198 18297 7839 1 16 . 1 1 94 94 HIS N N 439 123.859 123.859 123.219 0.640 18297 7840 1 16 . 1 1 94 94 HIS HA H 439 5.180 5.180 4.846 0.334 18297 7841 1 16 . 1 1 94 94 HIS C C 439 174.297 174.297 173.577 0.720 18297 7842 1 16 . 1 1 94 94 HIS CA C 439 53.396 53.396 54.137 -0.741 18297 7843 1 16 . 1 1 94 94 HIS CB C 439 30.786 30.786 32.861 -2.075 18297 7844 1 16 . 1 1 94 94 HIS H H 439 8.891 8.891 8.930 -0.039 18297 7845 1 16 . 1 1 95 95 PHE N N 440 123.544 123.544 123.587 -0.043 18297 7846 1 16 . 1 1 95 95 PHE HA H 440 6.231 6.231 5.826 0.405 18297 7847 1 16 . 1 1 95 95 PHE C C 440 178.229 178.229 176.450 1.779 18297 7848 1 16 . 1 1 95 95 PHE CA C 440 53.690 53.690 56.808 -3.118 18297 7849 1 16 . 1 1 95 95 PHE CB C 440 39.477 39.477 40.787 -1.310 18297 7850 1 16 . 1 1 95 95 PHE H H 440 8.896 8.896 8.843 0.053 18297 7851 1 16 . 1 1 96 96 THR N N 441 114.382 114.382 119.850 -5.468 18297 7852 1 16 . 1 1 96 96 THR HA H 441 4.617 4.617 4.580 0.037 18297 7853 1 16 . 1 1 96 96 THR C C 441 173.867 173.867 173.735 0.132 18297 7854 1 16 . 1 1 96 96 THR CA C 441 61.327 61.327 61.713 -0.386 18297 7855 1 16 . 1 1 96 96 THR CB C 441 69.561 69.561 69.358 0.203 18297 7856 1 16 . 1 1 96 96 THR H H 441 7.973 7.973 8.839 -0.866 18297 7857 1 17 . 1 1 2 2 SER HA H 347 4.570 4.570 4.735 -0.165 18297 7858 1 17 . 1 1 2 2 SER C C 347 174.335 174.335 174.557 -0.222 18297 7859 1 17 . 1 1 2 2 SER CA C 347 58.350 58.350 57.045 1.305 18297 7860 1 17 . 1 1 2 2 SER CB C 347 63.999 63.999 65.138 -1.139 18297 7861 1 17 . 1 1 3 3 GLN N N 348 122.478 122.478 122.913 -0.435 18297 7862 1 17 . 1 1 3 3 GLN HA H 348 4.430 4.430 4.296 0.134 18297 7863 1 17 . 1 1 3 3 GLN C C 348 175.651 175.651 175.184 0.467 18297 7864 1 17 . 1 1 3 3 GLN CA C 348 55.743 55.743 56.597 -0.854 18297 7865 1 17 . 1 1 3 3 GLN CB C 348 29.750 29.750 29.097 0.653 18297 7866 1 17 . 1 1 3 3 GLN H H 348 8.532 8.532 8.672 -0.140 18297 7867 1 17 . 1 1 4 4 LEU N N 349 125.369 125.369 122.281 3.088 18297 7868 1 17 . 1 1 4 4 LEU HA H 349 4.634 4.634 4.622 0.012 18297 7869 1 17 . 1 1 4 4 LEU C C 349 175.324 175.324 175.526 -0.202 18297 7870 1 17 . 1 1 4 4 LEU CA C 349 53.197 53.197 52.066 1.131 18297 7871 1 17 . 1 1 4 4 LEU CB C 349 41.867 41.867 41.794 0.073 18297 7872 1 17 . 1 1 4 4 LEU H H 349 8.403 8.403 7.659 0.744 18297 7873 1 17 . 1 1 5 5 PRO HA H 350 4.360 4.360 4.490 -0.130 18297 7874 1 17 . 1 1 5 5 PRO C C 350 176.639 176.639 175.835 0.804 18297 7875 1 17 . 1 1 5 5 PRO CA C 350 62.748 62.748 62.300 0.448 18297 7876 1 17 . 1 1 5 5 PRO CB C 350 32.319 32.319 32.287 0.032 18297 7877 1 17 . 1 1 6 6 GLN N N 351 121.707 121.707 122.809 -1.102 18297 7878 1 17 . 1 1 6 6 GLN HA H 351 4.428 4.428 4.490 -0.062 18297 7879 1 17 . 1 1 6 6 GLN C C 351 175.898 175.898 175.105 0.793 18297 7880 1 17 . 1 1 6 6 GLN CA C 351 55.678 55.678 54.950 0.728 18297 7881 1 17 . 1 1 6 6 GLN CB C 351 30.054 30.054 31.069 -1.015 18297 7882 1 17 . 1 1 6 6 GLN H H 351 8.255 8.255 8.580 -0.325 18297 7883 1 17 . 1 1 7 7 ASN N N 352 123.275 123.275 120.388 2.887 18297 7884 1 17 . 1 1 7 7 ASN HA H 352 5.470 5.470 5.772 -0.302 18297 7885 1 17 . 1 1 7 7 ASN C C 352 175.324 175.324 175.536 -0.212 18297 7886 1 17 . 1 1 7 7 ASN CA C 352 54.009 54.009 52.322 1.687 18297 7887 1 17 . 1 1 7 7 ASN CB C 352 40.414 40.414 40.920 -0.506 18297 7888 1 17 . 1 1 7 7 ASN H H 352 8.860 8.860 8.666 0.194 18297 7889 1 17 . 1 1 8 8 ILE N N 353 119.104 119.104 115.381 3.723 18297 7890 1 17 . 1 1 8 8 ILE HA H 353 4.625 4.625 4.731 -0.106 18297 7891 1 17 . 1 1 8 8 ILE C C 353 173.669 173.669 173.945 -0.276 18297 7892 1 17 . 1 1 8 8 ILE CA C 353 60.201 60.201 59.612 0.589 18297 7893 1 17 . 1 1 8 8 ILE CB C 353 41.404 41.404 41.571 -0.167 18297 7894 1 17 . 1 1 8 8 ILE H H 353 8.808 8.808 9.136 -0.328 18297 7895 1 17 . 1 1 9 9 GLN N N 354 122.671 122.671 122.669 0.002 18297 7896 1 17 . 1 1 9 9 GLN HA H 354 5.586 5.586 5.460 0.126 18297 7897 1 17 . 1 1 9 9 GLN C C 354 174.274 174.274 174.299 -0.025 18297 7898 1 17 . 1 1 9 9 GLN CA C 354 54.491 54.491 54.013 0.478 18297 7899 1 17 . 1 1 9 9 GLN CB C 354 31.120 31.120 31.279 -0.158 18297 7900 1 17 . 1 1 9 9 GLN H H 354 8.021 8.021 8.222 -0.201 18297 7901 1 17 . 1 1 10 10 PHE N N 355 120.679 120.679 122.673 -1.994 18297 7902 1 17 . 1 1 10 10 PHE HA H 355 4.635 4.635 4.734 -0.099 18297 7903 1 17 . 1 1 10 10 PHE C C 355 174.715 174.715 174.828 -0.113 18297 7904 1 17 . 1 1 10 10 PHE CA C 355 57.226 57.226 56.441 0.786 18297 7905 1 17 . 1 1 10 10 PHE CB C 355 45.969 45.969 43.681 2.288 18297 7906 1 17 . 1 1 10 10 PHE H H 355 8.403 8.403 9.258 -0.855 18297 7907 1 17 . 1 1 11 11 SER N N 356 116.116 116.116 117.801 -1.685 18297 7908 1 17 . 1 1 11 11 SER HA H 356 5.020 5.020 5.313 -0.293 18297 7909 1 17 . 1 1 11 11 SER C C 356 174.917 174.917 174.328 0.589 18297 7910 1 17 . 1 1 11 11 SER CA C 356 56.110 56.110 56.748 -0.638 18297 7911 1 17 . 1 1 11 11 SER CB C 356 63.879 63.879 63.149 0.730 18297 7912 1 17 . 1 1 11 11 SER H H 356 8.757 8.757 8.699 0.058 18297 7913 1 17 . 1 1 12 12 PRO HA H 357 3.776 3.776 4.182 -0.406 18297 7914 1 17 . 1 1 12 12 PRO C C 357 176.155 176.155 177.602 -1.447 18297 7915 1 17 . 1 1 12 12 PRO CA C 357 64.886 64.886 65.164 -0.278 18297 7916 1 17 . 1 1 12 12 PRO CB C 357 31.222 31.222 31.542 -0.320 18297 7917 1 17 . 1 1 13 13 SER N N 358 107.859 107.859 110.835 -2.976 18297 7918 1 17 . 1 1 13 13 SER HA H 358 4.388 4.388 4.536 -0.148 18297 7919 1 17 . 1 1 13 13 SER C C 358 173.972 173.972 174.516 -0.544 18297 7920 1 17 . 1 1 13 13 SER CA C 358 57.728 57.728 58.036 -0.308 18297 7921 1 17 . 1 1 13 13 SER CB C 358 63.879 63.879 62.753 1.126 18297 7922 1 17 . 1 1 13 13 SER H H 358 7.636 7.636 8.055 -0.419 18297 7923 1 17 . 1 1 14 14 ALA N N 359 126.012 126.012 125.541 0.471 18297 7924 1 17 . 1 1 14 14 ALA HA H 359 4.320 4.320 4.464 -0.144 18297 7925 1 17 . 1 1 14 14 ALA C C 359 177.288 177.288 176.230 1.058 18297 7926 1 17 . 1 1 14 14 ALA CA C 359 52.849 52.849 51.936 0.913 18297 7927 1 17 . 1 1 14 14 ALA CB C 359 19.372 19.372 20.596 -1.224 18297 7928 1 17 . 1 1 14 14 ALA H H 359 7.937 7.937 8.089 -0.152 18297 7929 1 17 . 1 1 15 15 LYS N N 360 119.699 119.699 122.294 -2.595 18297 7930 1 17 . 1 1 15 15 LYS HA H 360 4.751 4.751 4.721 0.030 18297 7931 1 17 . 1 1 15 15 LYS C C 360 179.638 179.638 177.611 2.027 18297 7932 1 17 . 1 1 15 15 LYS CA C 360 54.815 54.815 55.437 -0.622 18297 7933 1 17 . 1 1 15 15 LYS CB C 360 33.127 33.127 33.463 -0.336 18297 7934 1 17 . 1 1 15 15 LYS H H 360 8.523 8.523 9.395 -0.872 18297 7935 1 17 . 1 1 16 16 LEU N N 361 123.297 123.297 123.379 -0.082 18297 7936 1 17 . 1 1 16 16 LEU HA H 361 3.828 3.828 3.936 -0.108 18297 7937 1 17 . 1 1 16 16 LEU C C 361 178.714 178.714 178.081 0.633 18297 7938 1 17 . 1 1 16 16 LEU CA C 361 58.321 58.321 58.030 0.291 18297 7939 1 17 . 1 1 16 16 LEU CB C 361 40.240 40.240 41.796 -1.556 18297 7940 1 17 . 1 1 16 16 LEU H H 361 8.383 8.383 8.150 0.233 18297 7941 1 17 . 1 1 17 17 GLN N N 362 117.900 117.900 118.094 -0.194 18297 7942 1 17 . 1 1 17 17 GLN HA H 362 3.621 3.621 3.942 -0.321 18297 7943 1 17 . 1 1 17 17 GLN C C 362 176.370 176.370 178.025 -1.655 18297 7944 1 17 . 1 1 17 17 GLN CA C 362 58.547 58.547 59.247 -0.700 18297 7945 1 17 . 1 1 17 17 GLN CB C 362 29.442 29.442 28.638 0.804 18297 7946 1 17 . 1 1 17 17 GLN H H 362 8.766 8.766 8.003 0.763 18297 7947 1 17 . 1 1 18 18 GLU N N 363 116.341 116.341 118.839 -2.498 18297 7948 1 17 . 1 1 18 18 GLU HA H 363 4.201 4.201 4.341 -0.140 18297 7949 1 17 . 1 1 18 18 GLU C C 363 180.135 180.135 179.142 0.993 18297 7950 1 17 . 1 1 18 18 GLU CA C 363 59.669 59.669 59.078 0.591 18297 7951 1 17 . 1 1 18 18 GLU CB C 363 29.870 29.870 29.335 0.535 18297 7952 1 17 . 1 1 18 18 GLU H H 363 7.783 7.783 7.635 0.148 18297 7953 1 17 . 1 1 19 19 VAL N N 364 120.647 120.647 119.177 1.470 18297 7954 1 17 . 1 1 19 19 VAL HA H 364 3.421 3.421 3.552 -0.131 18297 7955 1 17 . 1 1 19 19 VAL C C 364 177.380 177.380 177.777 -0.397 18297 7956 1 17 . 1 1 19 19 VAL CA C 364 65.433 65.433 65.621 -0.188 18297 7957 1 17 . 1 1 19 19 VAL CB C 364 30.964 30.964 31.116 -0.152 18297 7958 1 17 . 1 1 19 19 VAL H H 364 7.224 7.224 7.219 0.005 18297 7959 1 17 . 1 1 20 20 LEU N N 365 120.743 120.743 119.369 1.374 18297 7960 1 17 . 1 1 20 20 LEU HA H 365 3.916 3.916 3.935 -0.019 18297 7961 1 17 . 1 1 20 20 LEU C C 365 178.974 178.974 178.376 0.598 18297 7962 1 17 . 1 1 20 20 LEU CA C 365 58.612 58.612 57.498 1.114 18297 7963 1 17 . 1 1 20 20 LEU CB C 365 41.425 41.425 40.498 0.926 18297 7964 1 17 . 1 1 20 20 LEU H H 365 7.517 7.517 7.473 0.044 18297 7965 1 17 . 1 1 21 21 ASP N N 366 119.329 119.329 119.254 0.075 18297 7966 1 17 . 1 1 21 21 ASP HA H 366 4.306 4.306 4.512 -0.206 18297 7967 1 17 . 1 1 21 21 ASP C C 366 177.992 177.992 179.075 -1.083 18297 7968 1 17 . 1 1 21 21 ASP CA C 366 57.405 57.405 56.967 0.438 18297 7969 1 17 . 1 1 21 21 ASP CB C 366 40.265 40.265 40.694 -0.429 18297 7970 1 17 . 1 1 21 21 ASP H H 366 8.805 8.805 7.713 1.092 18297 7971 1 17 . 1 1 22 22 TYR N N 367 121.643 121.643 121.643 0.000 18297 7972 1 17 . 1 1 22 22 TYR HA H 367 4.305 4.305 4.236 0.069 18297 7973 1 17 . 1 1 22 22 TYR C C 367 177.701 177.701 176.941 0.760 18297 7974 1 17 . 1 1 22 22 TYR CA C 367 61.777 61.777 60.822 0.955 18297 7975 1 17 . 1 1 22 22 TYR CB C 367 38.801 38.801 38.707 0.094 18297 7976 1 17 . 1 1 22 22 TYR H H 367 7.718 7.718 7.959 -0.241 18297 7977 1 17 . 1 1 23 23 LEU N N 368 118.414 118.414 119.176 -0.762 18297 7978 1 17 . 1 1 23 23 LEU HA H 368 3.910 3.910 4.059 -0.149 18297 7979 1 17 . 1 1 23 23 LEU C C 368 178.019 178.019 177.769 0.250 18297 7980 1 17 . 1 1 23 23 LEU CA C 368 57.773 57.773 57.359 0.414 18297 7981 1 17 . 1 1 23 23 LEU CB C 368 42.032 42.032 42.286 -0.254 18297 7982 1 17 . 1 1 23 23 LEU H H 368 8.060 8.060 7.759 0.301 18297 7983 1 17 . 1 1 24 24 THR N N 369 106.606 106.606 109.857 -3.251 18297 7984 1 17 . 1 1 24 24 THR HA H 369 4.507 4.507 4.309 0.198 18297 7985 1 17 . 1 1 24 24 THR C C 369 176.576 176.576 173.515 3.061 18297 7986 1 17 . 1 1 24 24 THR CA C 369 63.245 63.245 63.414 -0.169 18297 7987 1 17 . 1 1 24 24 THR CB C 369 70.517 70.517 70.018 0.499 18297 7988 1 17 . 1 1 24 24 THR H H 369 8.017 8.017 7.695 0.322 18297 7989 1 17 . 1 1 25 25 ASN N N 370 118.847 118.847 119.752 -0.905 18297 7990 1 17 . 1 1 25 25 ASN HA H 370 4.846 4.846 4.812 0.034 18297 7991 1 17 . 1 1 25 25 ASN C C 370 176.455 176.455 174.973 1.482 18297 7992 1 17 . 1 1 25 25 ASN CA C 370 53.944 53.944 52.230 1.714 18297 7993 1 17 . 1 1 25 25 ASN CB C 370 39.718 39.718 40.156 -0.438 18297 7994 1 17 . 1 1 25 25 ASN H H 370 8.149 8.149 8.369 -0.220 18297 7995 1 17 . 1 1 26 26 SER N N 371 116.888 116.888 121.316 -4.428 18297 7996 1 17 . 1 1 26 26 SER HA H 371 4.375 4.375 4.479 -0.104 18297 7997 1 17 . 1 1 26 26 SER C C 371 176.257 176.257 175.004 1.253 18297 7998 1 17 . 1 1 26 26 SER CA C 371 59.603 59.603 60.902 -1.299 18297 7999 1 17 . 1 1 26 26 SER CB C 371 63.792 63.792 63.557 0.235 18297 8000 1 17 . 1 1 26 26 SER H H 371 7.889 7.889 8.805 -0.916 18297 8001 1 17 . 1 1 27 27 ALA N N 372 128.743 128.743 121.898 6.845 18297 8002 1 17 . 1 1 27 27 ALA HA H 372 4.228 4.228 4.415 -0.187 18297 8003 1 17 . 1 1 27 27 ALA C C 372 178.538 178.538 180.243 -1.705 18297 8004 1 17 . 1 1 27 27 ALA CA C 372 54.491 54.491 54.239 0.252 18297 8005 1 17 . 1 1 27 27 ALA CB C 372 18.772 18.772 18.794 -0.022 18297 8006 1 17 . 1 1 27 27 ALA H H 372 8.836 8.836 7.814 1.022 18297 8007 1 17 . 1 1 28 28 SER N N 373 110.751 110.751 114.395 -3.644 18297 8008 1 17 . 1 1 28 28 SER HA H 373 4.426 4.426 4.395 0.031 18297 8009 1 17 . 1 1 28 28 SER C C 373 174.548 174.548 175.201 -0.653 18297 8010 1 17 . 1 1 28 28 SER CA C 373 59.415 59.415 60.716 -1.301 18297 8011 1 17 . 1 1 28 28 SER CB C 373 63.394 63.394 63.738 -0.344 18297 8012 1 17 . 1 1 28 28 SER H H 373 8.069 8.069 8.606 -0.537 18297 8013 1 17 . 1 1 29 29 LEU N N 374 122.012 122.012 120.709 1.303 18297 8014 1 17 . 1 1 29 29 LEU HA H 374 4.465 4.465 4.583 -0.118 18297 8015 1 17 . 1 1 29 29 LEU C C 374 175.716 175.716 177.393 -1.677 18297 8016 1 17 . 1 1 29 29 LEU CA C 374 56.132 56.132 54.193 1.939 18297 8017 1 17 . 1 1 29 29 LEU CB C 374 44.295 44.295 42.554 1.741 18297 8018 1 17 . 1 1 29 29 LEU H H 374 7.547 7.547 7.700 -0.153 18297 8019 1 17 . 1 1 30 30 GLN N N 375 116.052 116.052 119.882 -3.830 18297 8020 1 17 . 1 1 30 30 GLN HA H 375 4.003 4.003 4.111 -0.108 18297 8021 1 17 . 1 1 30 30 GLN C C 375 175.498 175.498 177.146 -1.648 18297 8022 1 17 . 1 1 30 30 GLN CA C 375 56.434 56.434 58.775 -2.341 18297 8023 1 17 . 1 1 30 30 GLN CB C 375 27.948 27.948 28.377 -0.429 18297 8024 1 17 . 1 1 30 30 GLN H H 375 8.060 8.060 7.601 0.459 18297 8025 1 17 . 1 1 31 31 MET N N 376 117.691 117.691 115.006 2.685 18297 8026 1 17 . 1 1 31 31 MET HA H 376 4.283 4.283 4.584 -0.301 18297 8027 1 17 . 1 1 31 31 MET C C 376 175.843 175.843 176.606 -0.763 18297 8028 1 17 . 1 1 31 31 MET CA C 376 57.728 57.728 55.731 1.997 18297 8029 1 17 . 1 1 31 31 MET CB C 376 33.451 33.451 33.331 0.120 18297 8030 1 17 . 1 1 31 31 MET H H 376 8.211 8.211 8.120 0.091 18297 8031 1 17 . 1 1 32 32 LYS N N 377 122.028 122.028 119.761 2.267 18297 8032 1 17 . 1 1 32 32 LYS HA H 377 4.414 4.414 4.251 0.163 18297 8033 1 17 . 1 1 32 32 LYS C C 377 177.837 177.837 176.253 1.584 18297 8034 1 17 . 1 1 32 32 LYS CA C 377 58.052 58.052 56.411 1.641 18297 8035 1 17 . 1 1 32 32 LYS CB C 377 34.994 34.994 31.881 3.113 18297 8036 1 17 . 1 1 32 32 LYS H H 377 9.461 9.461 8.191 1.270 18297 8037 1 17 . 1 1 33 33 SER N N 378 115.056 115.056 116.100 -1.044 18297 8038 1 17 . 1 1 33 33 SER HA H 378 4.650 4.650 4.358 0.292 18297 8039 1 17 . 1 1 33 33 SER C C 378 172.026 172.026 172.943 -0.917 18297 8040 1 17 . 1 1 33 33 SER CA C 378 55.038 55.038 56.694 -1.656 18297 8041 1 17 . 1 1 33 33 SER CB C 378 62.908 62.908 62.772 0.136 18297 8042 1 17 . 1 1 33 33 SER H H 378 10.101 10.101 7.940 2.161 18297 8043 1 17 . 1 1 34 34 PRO HA H 379 5.043 5.043 4.217 0.826 18297 8044 1 17 . 1 1 34 34 PRO C C 379 175.422 175.422 175.087 0.335 18297 8045 1 17 . 1 1 34 34 PRO CA C 379 63.792 63.792 63.057 0.735 18297 8046 1 17 . 1 1 34 34 PRO CB C 379 33.703 33.703 32.373 1.330 18297 8047 1 17 . 1 1 35 35 ALA N N 380 121.498 121.498 123.274 -1.776 18297 8048 1 17 . 1 1 35 35 ALA HA H 380 5.137 5.137 4.708 0.429 18297 8049 1 17 . 1 1 35 35 ALA C C 380 177.313 177.313 175.680 1.633 18297 8050 1 17 . 1 1 35 35 ALA CA C 380 50.661 50.661 50.482 0.179 18297 8051 1 17 . 1 1 35 35 ALA CB C 380 22.118 22.118 21.974 0.143 18297 8052 1 17 . 1 1 35 35 ALA H H 380 8.894 8.894 8.815 0.079 18297 8053 1 17 . 1 1 36 36 ILE N N 381 120.470 120.470 124.949 -4.479 18297 8054 1 17 . 1 1 36 36 ILE HA H 381 4.967 4.967 4.796 0.171 18297 8055 1 17 . 1 1 36 36 ILE C C 381 175.314 175.314 175.510 -0.196 18297 8056 1 17 . 1 1 36 36 ILE CA C 381 61.056 61.056 60.180 0.876 18297 8057 1 17 . 1 1 36 36 ILE CB C 381 41.364 41.364 40.033 1.331 18297 8058 1 17 . 1 1 36 36 ILE H H 381 9.038 9.038 8.840 0.198 18297 8059 1 17 . 1 1 37 37 THR N N 382 123.297 123.297 122.917 0.380 18297 8060 1 17 . 1 1 37 37 THR HA H 382 5.252 5.252 4.902 0.350 18297 8061 1 17 . 1 1 37 37 THR C C 382 172.289 172.289 172.619 -0.330 18297 8062 1 17 . 1 1 37 37 THR CA C 382 60.977 60.977 60.999 -0.022 18297 8063 1 17 . 1 1 37 37 THR CB C 382 71.919 71.919 71.380 0.539 18297 8064 1 17 . 1 1 37 37 THR H H 382 9.363 9.363 9.094 0.269 18297 8065 1 17 . 1 1 38 38 ALA N N 383 123.340 123.340 128.221 -4.881 18297 8066 1 17 . 1 1 38 38 ALA HA H 383 4.935 4.935 4.958 -0.023 18297 8067 1 17 . 1 1 38 38 ALA C C 383 175.743 175.743 175.533 0.210 18297 8068 1 17 . 1 1 38 38 ALA CA C 383 51.147 51.147 50.849 0.298 18297 8069 1 17 . 1 1 38 38 ALA CB C 383 22.758 22.758 22.715 0.043 18297 8070 1 17 . 1 1 38 38 ALA H H 383 8.896 8.896 8.654 0.242 18297 8071 1 17 . 1 1 39 39 THR N N 384 118.815 118.815 118.109 0.706 18297 8072 1 17 . 1 1 39 39 THR HA H 384 4.892 4.892 5.136 -0.244 18297 8073 1 17 . 1 1 39 39 THR C C 384 174.098 174.098 174.057 0.041 18297 8074 1 17 . 1 1 39 39 THR CA C 384 62.310 62.310 61.387 0.923 18297 8075 1 17 . 1 1 39 39 THR CB C 384 69.263 69.263 69.629 -0.366 18297 8076 1 17 . 1 1 39 39 THR H H 384 8.968 8.968 8.470 0.498 18297 8077 1 17 . 1 1 40 40 LEU N N 385 128.711 128.711 129.228 -0.517 18297 8078 1 17 . 1 1 40 40 LEU HA H 385 4.791 4.791 4.756 0.035 18297 8079 1 17 . 1 1 40 40 LEU C C 385 176.479 176.479 175.926 0.553 18297 8080 1 17 . 1 1 40 40 LEU CA C 385 53.944 53.944 53.995 -0.051 18297 8081 1 17 . 1 1 40 40 LEU CB C 385 44.966 44.966 44.583 0.383 18297 8082 1 17 . 1 1 40 40 LEU H H 385 8.667 8.667 9.075 -0.408 18297 8083 1 17 . 1 1 41 41 GLU N N 386 124.470 124.470 126.981 -2.511 18297 8084 1 17 . 1 1 41 41 GLU HA H 386 3.936 3.936 3.929 0.007 18297 8085 1 17 . 1 1 41 41 GLU C C 386 176.878 176.878 176.243 0.635 18297 8086 1 17 . 1 1 41 41 GLU CA C 386 57.226 57.226 56.522 0.704 18297 8087 1 17 . 1 1 41 41 GLU CB C 386 27.735 27.735 29.105 -1.371 18297 8088 1 17 . 1 1 41 41 GLU H H 386 9.547 9.547 9.291 0.256 18297 8089 1 17 . 1 1 42 42 GLY N N 387 104.068 104.068 103.597 0.471 18297 8090 1 17 . 1 1 42 42 GLY C C 387 173.993 173.993 173.886 0.107 18297 8091 1 17 . 1 1 42 42 GLY CA C 387 45.596 45.596 45.161 0.435 18297 8092 1 17 . 1 1 42 42 GLY H H 387 8.578 8.578 8.336 0.242 18297 8093 1 17 . 1 1 43 43 LYS N N 388 120.422 120.422 120.880 -0.458 18297 8094 1 17 . 1 1 43 43 LYS HA H 388 4.701 4.701 4.527 0.174 18297 8095 1 17 . 1 1 43 43 LYS C C 388 175.054 175.054 175.236 -0.182 18297 8096 1 17 . 1 1 43 43 LYS CA C 388 54.491 54.491 54.797 -0.305 18297 8097 1 17 . 1 1 43 43 LYS CB C 388 34.968 34.968 34.424 0.544 18297 8098 1 17 . 1 1 43 43 LYS H H 388 7.826 7.826 7.761 0.065 18297 8099 1 17 . 1 1 44 44 ASN N N 389 122.606 122.606 121.144 1.462 18297 8100 1 17 . 1 1 44 44 ASN HA H 389 4.895 4.895 4.769 0.126 18297 8101 1 17 . 1 1 44 44 ASN C C 389 174.905 174.905 174.893 0.012 18297 8102 1 17 . 1 1 44 44 ASN CA C 389 53.944 53.944 53.058 0.886 18297 8103 1 17 . 1 1 44 44 ASN CB C 389 39.229 39.229 38.922 0.307 18297 8104 1 17 . 1 1 44 44 ASN H H 389 8.827 8.827 8.694 0.133 18297 8105 1 17 . 1 1 45 45 ARG N N 390 125.867 125.867 126.157 -0.290 18297 8106 1 17 . 1 1 45 45 ARG HA H 390 4.756 4.756 4.664 0.092 18297 8107 1 17 . 1 1 45 45 ARG C C 390 175.224 175.224 175.249 -0.025 18297 8108 1 17 . 1 1 45 45 ARG CA C 390 54.491 54.491 54.666 -0.175 18297 8109 1 17 . 1 1 45 45 ARG CB C 390 32.973 32.973 32.312 0.661 18297 8110 1 17 . 1 1 45 45 ARG H H 390 9.220 9.220 9.079 0.141 18297 8111 1 17 . 1 1 46 46 THR N N 391 122.574 122.574 123.228 -0.654 18297 8112 1 17 . 1 1 46 46 THR HA H 391 4.289 4.289 4.333 -0.044 18297 8113 1 17 . 1 1 46 46 THR C C 391 174.010 174.010 174.675 -0.665 18297 8114 1 17 . 1 1 46 46 THR CA C 391 63.509 63.509 63.812 -0.303 18297 8115 1 17 . 1 1 46 46 THR CB C 391 68.716 68.716 69.032 -0.316 18297 8116 1 17 . 1 1 46 46 THR H H 391 8.940 8.940 8.687 0.253 18297 8117 1 17 . 1 1 47 47 LEU N N 392 128.647 128.647 124.047 4.600 18297 8118 1 17 . 1 1 47 47 LEU HA H 392 4.339 4.339 4.715 -0.376 18297 8119 1 17 . 1 1 47 47 LEU C C 392 176.670 176.670 175.772 0.898 18297 8120 1 17 . 1 1 47 47 LEU CA C 392 56.132 56.132 55.329 0.803 18297 8121 1 17 . 1 1 47 47 LEU CB C 392 42.678 42.678 42.838 -0.160 18297 8122 1 17 . 1 1 47 47 LEU H H 392 9.096 9.096 8.083 1.013 18297 8123 1 17 . 1 1 48 48 TYR N N 393 113.514 113.514 119.601 -6.087 18297 8124 1 17 . 1 1 48 48 TYR HA H 393 4.618 4.618 4.443 0.175 18297 8125 1 17 . 1 1 48 48 TYR C C 393 173.455 173.455 174.239 -0.784 18297 8126 1 17 . 1 1 48 48 TYR CA C 393 59.415 59.415 59.732 -0.317 18297 8127 1 17 . 1 1 48 48 TYR CB C 393 41.384 41.384 40.575 0.809 18297 8128 1 17 . 1 1 48 48 TYR H H 393 7.562 7.562 7.709 -0.147 18297 8129 1 17 . 1 1 57 57 GLU N N 402 128.181 128.181 118.538 9.643 18297 8130 1 17 . 1 1 57 57 GLU H H 402 8.645 8.645 8.495 0.150 18297 8131 1 17 . 1 1 58 58 ARG N N 403 117.080 117.080 125.897 -8.817 18297 8132 1 17 . 1 1 58 58 ARG HA H 403 4.302 4.302 4.558 -0.256 18297 8133 1 17 . 1 1 58 58 ARG CA C 403 58.321 58.321 56.400 1.921 18297 8134 1 17 . 1 1 58 58 ARG CB C 403 31.165 31.165 31.092 0.073 18297 8135 1 17 . 1 1 58 58 ARG H H 403 8.278 8.278 8.661 -0.383 18297 8136 1 17 . 1 1 59 59 THR N N 404 108.390 108.390 116.006 -7.616 18297 8137 1 17 . 1 1 59 59 THR HA H 404 4.932 4.932 4.244 0.688 18297 8138 1 17 . 1 1 59 59 THR H H 404 8.301 8.301 8.210 0.091 18297 8139 1 17 . 1 1 60 60 ARG N N 405 126.639 126.639 119.539 7.100 18297 8140 1 17 . 1 1 60 60 ARG H H 405 8.549 8.549 8.968 -0.419 18297 8141 1 17 . 1 1 61 61 PRO HA H 406 4.431 4.431 4.384 0.047 18297 8142 1 17 . 1 1 61 61 PRO C C 406 178.434 178.434 178.013 0.421 18297 8143 1 17 . 1 1 61 61 PRO CA C 406 65.980 65.980 64.813 1.167 18297 8144 1 17 . 1 1 61 61 PRO CB C 406 31.348 31.348 32.072 -0.724 18297 8145 1 17 . 1 1 62 62 ASN N N 407 114.574 114.574 116.921 -2.347 18297 8146 1 17 . 1 1 62 62 ASN HA H 407 4.390 4.390 4.449 -0.059 18297 8147 1 17 . 1 1 62 62 ASN C C 407 177.863 177.863 177.682 0.181 18297 8148 1 17 . 1 1 62 62 ASN CA C 407 55.308 55.308 55.642 -0.334 18297 8149 1 17 . 1 1 62 62 ASN CB C 407 37.530 37.530 37.208 0.322 18297 8150 1 17 . 1 1 62 62 ASN H H 407 8.481 8.481 8.615 -0.134 18297 8151 1 17 . 1 1 63 63 LEU N N 408 115.667 115.667 116.750 -1.083 18297 8152 1 17 . 1 1 63 63 LEU HA H 408 3.861 3.861 4.150 -0.289 18297 8153 1 17 . 1 1 63 63 LEU C C 408 177.708 177.708 178.120 -0.412 18297 8154 1 17 . 1 1 63 63 LEU CA C 408 57.667 57.667 57.232 0.435 18297 8155 1 17 . 1 1 63 63 LEU CB C 408 41.706 41.706 41.852 -0.146 18297 8156 1 17 . 1 1 63 63 LEU H H 408 8.022 8.022 7.779 0.243 18297 8157 1 17 . 1 1 64 64 SER N N 409 109.209 109.209 110.950 -1.741 18297 8158 1 17 . 1 1 64 64 SER HA H 409 4.588 4.588 4.439 0.149 18297 8159 1 17 . 1 1 64 64 SER C C 409 173.870 173.870 174.772 -0.902 18297 8160 1 17 . 1 1 64 64 SER CA C 409 58.321 58.321 58.821 -0.500 18297 8161 1 17 . 1 1 64 64 SER CB C 409 63.855 63.855 63.817 0.038 18297 8162 1 17 . 1 1 64 64 SER H H 409 7.232 7.232 7.420 -0.188 18297 8163 1 17 . 1 1 65 65 LYS N N 410 122.735 122.735 121.695 1.040 18297 8164 1 17 . 1 1 65 65 LYS HA H 410 4.609 4.609 4.579 0.030 18297 8165 1 17 . 1 1 65 65 LYS C C 410 175.946 175.946 175.676 0.270 18297 8166 1 17 . 1 1 65 65 LYS CA C 410 55.463 55.463 55.041 0.422 18297 8167 1 17 . 1 1 65 65 LYS CB C 410 34.422 34.422 34.570 -0.148 18297 8168 1 17 . 1 1 65 65 LYS H H 410 7.543 7.543 7.411 0.132 18297 8169 1 17 . 1 1 66 66 THR N N 411 110.944 110.944 111.395 -0.451 18297 8170 1 17 . 1 1 66 66 THR HA H 411 5.003 5.003 4.720 0.283 18297 8171 1 17 . 1 1 66 66 THR C C 411 176.038 176.038 176.210 -0.172 18297 8172 1 17 . 1 1 66 66 THR CA C 411 60.221 60.221 60.335 -0.114 18297 8173 1 17 . 1 1 66 66 THR CB C 411 70.956 70.956 70.717 0.239 18297 8174 1 17 . 1 1 66 66 THR H H 411 8.980 8.980 8.038 0.942 18297 8175 1 17 . 1 1 67 67 LEU N N 412 118.076 118.076 120.956 -2.880 18297 8176 1 17 . 1 1 67 67 LEU HA H 412 3.961 3.961 4.001 -0.040 18297 8177 1 17 . 1 1 67 67 LEU C C 412 179.227 179.227 178.789 0.438 18297 8178 1 17 . 1 1 67 67 LEU CA C 412 58.321 58.321 58.613 -0.292 18297 8179 1 17 . 1 1 67 67 LEU CB C 412 39.914 39.914 41.521 -1.607 18297 8180 1 17 . 1 1 67 67 LEU H H 412 8.434 8.434 8.867 -0.433 18297 8181 1 17 . 1 1 68 68 LYS N N 413 116.373 116.373 119.199 -2.826 18297 8182 1 17 . 1 1 68 68 LYS HA H 413 4.285 4.285 3.901 0.384 18297 8183 1 17 . 1 1 68 68 LYS C C 413 181.338 181.338 179.440 1.898 18297 8184 1 17 . 1 1 68 68 LYS CA C 413 58.868 58.868 59.222 -0.354 18297 8185 1 17 . 1 1 68 68 LYS CB C 413 32.606 32.606 32.225 0.381 18297 8186 1 17 . 1 1 68 68 LYS H H 413 8.171 8.171 7.643 0.528 18297 8187 1 17 . 1 1 69 69 GLU N N 414 123.731 123.731 119.435 4.296 18297 8188 1 17 . 1 1 69 69 GLU HA H 414 4.072 4.072 4.080 -0.008 18297 8189 1 17 . 1 1 69 69 GLU C C 414 179.202 179.202 178.718 0.484 18297 8190 1 17 . 1 1 69 69 GLU CA C 414 58.868 58.868 58.541 0.327 18297 8191 1 17 . 1 1 69 69 GLU CB C 414 29.566 29.566 29.268 0.298 18297 8192 1 17 . 1 1 69 69 GLU H H 414 8.326 8.326 7.663 0.663 18297 8193 1 17 . 1 1 70 70 LEU N N 415 119.008 119.008 116.828 2.180 18297 8194 1 17 . 1 1 70 70 LEU HA H 415 4.218 4.218 4.267 -0.049 18297 8195 1 17 . 1 1 70 70 LEU C C 415 176.505 176.505 177.774 -1.269 18297 8196 1 17 . 1 1 70 70 LEU CA C 415 55.822 55.822 55.494 0.328 18297 8197 1 17 . 1 1 70 70 LEU CB C 415 43.012 43.012 42.105 0.907 18297 8198 1 17 . 1 1 70 70 LEU H H 415 7.993 7.993 7.561 0.432 18297 8199 1 17 . 1 1 71 71 GLY N N 416 105.578 105.578 106.718 -1.140 18297 8200 1 17 . 1 1 71 71 GLY C C 416 174.505 174.505 174.623 -0.118 18297 8201 1 17 . 1 1 71 71 GLY CA C 416 45.191 45.191 45.323 -0.132 18297 8202 1 17 . 1 1 71 71 GLY H H 416 7.880 7.880 7.601 0.279 18297 8203 1 17 . 1 1 72 72 LEU N N 417 119.201 119.201 122.195 -2.994 18297 8204 1 17 . 1 1 72 72 LEU HA H 417 4.599 4.599 4.615 -0.016 18297 8205 1 17 . 1 1 72 72 LEU C C 417 176.208 176.208 176.410 -0.202 18297 8206 1 17 . 1 1 72 72 LEU CA C 417 54.815 54.815 54.823 -0.008 18297 8207 1 17 . 1 1 72 72 LEU CB C 417 41.867 41.867 42.849 -0.982 18297 8208 1 17 . 1 1 72 72 LEU H H 417 7.466 7.466 7.552 -0.086 18297 8209 1 17 . 1 1 73 73 VAL N N 418 112.871 112.871 117.087 -4.216 18297 8210 1 17 . 1 1 73 73 VAL HA H 418 4.782 4.782 4.595 0.187 18297 8211 1 17 . 1 1 73 73 VAL C C 418 174.804 174.804 175.079 -0.275 18297 8212 1 17 . 1 1 73 73 VAL CA C 418 59.070 59.070 59.160 -0.090 18297 8213 1 17 . 1 1 73 73 VAL CB C 418 35.557 35.557 34.772 0.785 18297 8214 1 17 . 1 1 73 73 VAL H H 418 8.003 8.003 8.138 -0.135 18297 8215 1 17 . 1 1 74 74 ASP N N 419 119.972 119.972 119.973 -0.001 18297 8216 1 17 . 1 1 74 74 ASP HA H 419 3.593 3.593 4.585 -0.992 18297 8217 1 17 . 1 1 74 74 ASP C C 419 177.545 177.545 177.005 0.540 18297 8218 1 17 . 1 1 74 74 ASP CA C 419 56.419 56.419 54.985 1.434 18297 8219 1 17 . 1 1 74 74 ASP CB C 419 42.035 42.035 40.974 1.061 18297 8220 1 17 . 1 1 74 74 ASP H H 419 8.250 8.250 8.559 -0.309 18297 8221 1 17 . 1 1 75 75 GLY N N 420 116.020 116.020 111.544 4.476 18297 8222 1 17 . 1 1 75 75 GLY C C 420 173.763 173.763 173.916 -0.153 18297 8223 1 17 . 1 1 75 75 GLY CA C 420 45.354 45.354 44.694 0.660 18297 8224 1 17 . 1 1 75 75 GLY H H 420 8.704 8.704 8.800 -0.096 18297 8225 1 17 . 1 1 76 76 GLN N N 421 121.514 121.514 120.409 1.105 18297 8226 1 17 . 1 1 76 76 GLN HA H 421 4.048 4.048 4.202 -0.154 18297 8227 1 17 . 1 1 76 76 GLN C C 421 175.023 175.023 174.492 0.531 18297 8228 1 17 . 1 1 76 76 GLN CA C 421 56.709 56.709 55.731 0.978 18297 8229 1 17 . 1 1 76 76 GLN CB C 421 29.511 29.511 29.594 -0.083 18297 8230 1 17 . 1 1 76 76 GLN H H 421 7.867 7.867 7.416 0.451 18297 8231 1 17 . 1 1 77 77 GLU N N 422 123.859 123.859 125.485 -1.626 18297 8232 1 17 . 1 1 77 77 GLU HA H 422 5.186 5.186 5.068 0.118 18297 8233 1 17 . 1 1 77 77 GLU C C 422 176.877 176.877 175.929 0.948 18297 8234 1 17 . 1 1 77 77 GLU CA C 422 55.786 55.786 55.161 0.625 18297 8235 1 17 . 1 1 77 77 GLU CB C 422 31.509 31.509 30.884 0.625 18297 8236 1 17 . 1 1 77 77 GLU H H 422 8.568 8.568 8.557 0.011 18297 8237 1 17 . 1 1 78 78 LEU N N 423 125.867 125.867 127.482 -1.615 18297 8238 1 17 . 1 1 78 78 LEU HA H 423 5.080 5.080 4.650 0.430 18297 8239 1 17 . 1 1 78 78 LEU C C 423 174.470 174.470 175.297 -0.827 18297 8240 1 17 . 1 1 78 78 LEU CA C 423 53.686 53.686 53.659 0.027 18297 8241 1 17 . 1 1 78 78 LEU CB C 423 44.966 44.966 44.989 -0.023 18297 8242 1 17 . 1 1 78 78 LEU H H 423 9.313 9.313 9.145 0.168 18297 8243 1 17 . 1 1 79 79 ALA N N 424 126.044 126.044 126.153 -0.109 18297 8244 1 17 . 1 1 79 79 ALA HA H 424 5.206 5.206 4.831 0.375 18297 8245 1 17 . 1 1 79 79 ALA C C 424 176.786 176.786 175.802 0.984 18297 8246 1 17 . 1 1 79 79 ALA CA C 424 51.049 51.049 50.698 0.351 18297 8247 1 17 . 1 1 79 79 ALA CB C 424 20.453 20.453 20.343 0.110 18297 8248 1 17 . 1 1 79 79 ALA H H 424 8.918 8.918 8.941 -0.023 18297 8249 1 17 . 1 1 80 80 VAL N N 425 124.759 124.759 125.136 -0.377 18297 8250 1 17 . 1 1 80 80 VAL HA H 425 5.344 5.344 5.067 0.277 18297 8251 1 17 . 1 1 80 80 VAL C C 425 173.757 173.757 174.536 -0.779 18297 8252 1 17 . 1 1 80 80 VAL CA C 425 60.886 60.886 60.385 0.501 18297 8253 1 17 . 1 1 80 80 VAL CB C 425 34.908 34.908 34.528 0.380 18297 8254 1 17 . 1 1 80 80 VAL H H 425 9.357 9.357 8.845 0.512 18297 8255 1 17 . 1 1 81 81 ALA N N 426 129.353 129.353 128.816 0.537 18297 8256 1 17 . 1 1 81 81 ALA HA H 426 5.045 5.045 4.757 0.288 18297 8257 1 17 . 1 1 81 81 ALA C C 426 175.938 175.938 175.036 0.902 18297 8258 1 17 . 1 1 81 81 ALA CA C 426 50.133 50.133 50.290 -0.157 18297 8259 1 17 . 1 1 81 81 ALA CB C 426 22.758 22.758 22.227 0.530 18297 8260 1 17 . 1 1 81 81 ALA H H 426 8.502 8.502 9.178 -0.676 18297 8261 1 17 . 1 1 82 82 ASP N N 427 120.165 120.165 122.925 -2.760 18297 8262 1 17 . 1 1 82 82 ASP HA H 427 5.100 5.100 5.011 0.089 18297 8263 1 17 . 1 1 82 82 ASP C C 427 176.669 176.669 176.068 0.601 18297 8264 1 17 . 1 1 82 82 ASP CA C 427 54.491 54.491 52.565 1.927 18297 8265 1 17 . 1 1 82 82 ASP CB C 427 46.891 46.891 44.657 2.234 18297 8266 1 17 . 1 1 82 82 ASP H H 427 8.906 8.906 8.530 0.376 18297 8267 1 17 . 1 1 83 83 VAL N N 428 119.201 119.201 118.085 1.116 18297 8268 1 17 . 1 1 83 83 VAL HA H 428 4.153 4.153 4.216 -0.063 18297 8269 1 17 . 1 1 83 83 VAL C C 428 177.085 177.085 176.835 0.250 18297 8270 1 17 . 1 1 83 83 VAL CA C 428 63.992 63.992 64.343 -0.351 18297 8271 1 17 . 1 1 83 83 VAL CB C 428 31.772 31.772 31.644 0.128 18297 8272 1 17 . 1 1 83 83 VAL H H 428 8.114 8.114 8.702 -0.588 18297 8273 1 17 . 1 1 84 84 THR N N 429 110.173 110.173 111.802 -1.629 18297 8274 1 17 . 1 1 84 84 THR HA H 429 4.235 4.235 4.475 -0.240 18297 8275 1 17 . 1 1 84 84 THR C C 429 174.905 174.905 175.109 -0.204 18297 8276 1 17 . 1 1 84 84 THR CA C 429 63.533 63.533 62.779 0.754 18297 8277 1 17 . 1 1 84 84 THR CB C 429 70.613 70.613 69.435 1.178 18297 8278 1 17 . 1 1 84 84 THR H H 429 7.899 7.899 8.790 -0.891 18297 8279 1 17 . 1 1 85 85 THR N N 430 116.438 116.438 119.394 -2.956 18297 8280 1 17 . 1 1 85 85 THR HA H 430 5.132 5.132 4.758 0.374 18297 8281 1 17 . 1 1 85 85 THR C C 430 173.160 173.160 172.460 0.700 18297 8282 1 17 . 1 1 85 85 THR CA C 430 57.863 57.863 59.614 -1.751 18297 8283 1 17 . 1 1 85 85 THR CB C 430 71.050 71.050 70.762 0.288 18297 8284 1 17 . 1 1 85 85 THR H H 430 7.810 7.810 8.202 -0.392 18297 8285 1 17 . 1 1 86 86 PRO HA H 431 4.582 4.582 4.528 0.054 18297 8286 1 17 . 1 1 86 86 PRO CA C 431 64.086 64.086 62.931 1.155 18297 8287 1 17 . 1 1 86 86 PRO CB C 431 31.995 31.995 32.011 -0.016 18297 8288 1 17 . 1 1 87 87 GLN N N 432 117.241 117.241 119.397 -2.156 18297 8289 1 17 . 1 1 87 87 GLN HA H 432 4.618 4.618 4.504 0.114 18297 8290 1 17 . 1 1 87 87 GLN C C 432 175.653 175.653 174.630 1.023 18297 8291 1 17 . 1 1 87 87 GLN CA C 432 54.491 54.491 54.465 0.026 18297 8292 1 17 . 1 1 87 87 GLN CB C 432 30.799 30.799 31.495 -0.696 18297 8293 1 17 . 1 1 87 87 GLN H H 432 7.786 7.786 7.594 0.192 18297 8294 1 17 . 1 1 88 88 THR N N 433 119.651 119.651 119.373 0.278 18297 8295 1 17 . 1 1 88 88 THR HA H 433 4.440 4.440 4.566 -0.126 18297 8296 1 17 . 1 1 88 88 THR C C 433 173.939 173.939 174.461 -0.522 18297 8297 1 17 . 1 1 88 88 THR CA C 433 63.792 63.792 62.997 0.795 18297 8298 1 17 . 1 1 88 88 THR CB C 433 70.357 70.357 69.138 1.219 18297 8299 1 17 . 1 1 88 88 THR H H 433 8.460 8.460 8.396 0.064 18297 8300 1 17 . 1 1 89 89 VAL N N 434 128.068 128.068 127.902 0.166 18297 8301 1 17 . 1 1 89 89 VAL HA H 434 4.153 4.153 4.420 -0.267 18297 8302 1 17 . 1 1 89 89 VAL C C 434 174.083 174.083 174.689 -0.606 18297 8303 1 17 . 1 1 89 89 VAL CA C 434 61.827 61.827 60.727 1.099 18297 8304 1 17 . 1 1 89 89 VAL CB C 434 33.937 33.937 33.794 0.143 18297 8305 1 17 . 1 1 89 89 VAL H H 434 9.275 9.275 8.913 0.362 18297 8306 1 17 . 1 1 90 90 LEU N N 435 125.755 125.755 125.507 0.248 18297 8307 1 17 . 1 1 90 90 LEU HA H 435 5.304 5.304 5.171 0.133 18297 8308 1 17 . 1 1 90 90 LEU C C 435 176.455 176.455 175.896 0.559 18297 8309 1 17 . 1 1 90 90 LEU CA C 435 53.396 53.396 53.218 0.178 18297 8310 1 17 . 1 1 90 90 LEU CB C 435 44.023 44.023 41.520 2.502 18297 8311 1 17 . 1 1 90 90 LEU H H 435 8.169 8.169 8.294 -0.125 18297 8312 1 17 . 1 1 91 91 PHE N N 436 120.743 120.743 123.291 -2.548 18297 8313 1 17 . 1 1 91 91 PHE HA H 436 5.314 5.314 5.438 -0.124 18297 8314 1 17 . 1 1 91 91 PHE C C 436 174.788 174.788 175.092 -0.304 18297 8315 1 17 . 1 1 91 91 PHE CA C 436 56.327 56.327 56.395 -0.068 18297 8316 1 17 . 1 1 91 91 PHE CB C 436 43.330 43.330 43.079 0.251 18297 8317 1 17 . 1 1 91 91 PHE H H 436 9.222 9.222 9.422 -0.200 18297 8318 1 17 . 1 1 92 92 LYS N N 437 123.120 123.120 123.216 -0.096 18297 8319 1 17 . 1 1 92 92 LYS HA H 437 4.708 4.708 5.356 -0.648 18297 8320 1 17 . 1 1 92 92 LYS C C 437 174.606 174.606 174.981 -0.375 18297 8321 1 17 . 1 1 92 92 LYS CA C 437 55.139 55.139 55.179 -0.040 18297 8322 1 17 . 1 1 92 92 LYS CB C 437 34.269 34.269 34.966 -0.697 18297 8323 1 17 . 1 1 92 92 LYS H H 437 8.908 8.908 9.305 -0.397 18297 8324 1 17 . 1 1 93 93 LEU N N 438 128.422 128.422 126.796 1.626 18297 8325 1 17 . 1 1 93 93 LEU HA H 438 4.480 4.480 5.012 -0.532 18297 8326 1 17 . 1 1 93 93 LEU C C 438 175.327 175.327 174.768 0.559 18297 8327 1 17 . 1 1 93 93 LEU CA C 438 55.139 55.139 53.347 1.792 18297 8328 1 17 . 1 1 93 93 LEU CB C 438 43.976 43.976 43.291 0.685 18297 8329 1 17 . 1 1 93 93 LEU H H 438 8.755 8.755 8.814 -0.059 18297 8330 1 17 . 1 1 94 94 HIS N N 439 123.859 123.859 126.900 -3.041 18297 8331 1 17 . 1 1 94 94 HIS HA H 439 5.180 5.180 4.796 0.384 18297 8332 1 17 . 1 1 94 94 HIS C C 439 174.297 174.297 173.577 0.720 18297 8333 1 17 . 1 1 94 94 HIS CA C 439 53.396 53.396 54.235 -0.839 18297 8334 1 17 . 1 1 94 94 HIS CB C 439 30.786 30.786 32.987 -2.201 18297 8335 1 17 . 1 1 94 94 HIS H H 439 8.891 8.891 9.425 -0.534 18297 8336 1 17 . 1 1 95 95 PHE N N 440 123.544 123.544 123.371 0.173 18297 8337 1 17 . 1 1 95 95 PHE HA H 440 6.231 6.231 5.781 0.450 18297 8338 1 17 . 1 1 95 95 PHE C C 440 178.229 178.229 176.697 1.532 18297 8339 1 17 . 1 1 95 95 PHE CA C 440 53.690 53.690 57.080 -3.390 18297 8340 1 17 . 1 1 95 95 PHE CB C 440 39.477 39.477 40.376 -0.899 18297 8341 1 17 . 1 1 95 95 PHE H H 440 8.896 8.896 8.913 -0.017 18297 8342 1 17 . 1 1 96 96 THR N N 441 114.382 114.382 119.373 -4.991 18297 8343 1 17 . 1 1 96 96 THR HA H 441 4.617 4.617 4.714 -0.097 18297 8344 1 17 . 1 1 96 96 THR C C 441 173.867 173.867 173.527 0.340 18297 8345 1 17 . 1 1 96 96 THR CA C 441 61.327 61.327 60.367 0.960 18297 8346 1 17 . 1 1 96 96 THR CB C 441 69.561 69.561 69.922 -0.361 18297 8347 1 17 . 1 1 96 96 THR H H 441 7.973 7.973 8.761 -0.788 18297 8348 1 18 . 1 1 2 2 SER HA H 347 4.570 4.570 4.734 -0.164 18297 8349 1 18 . 1 1 2 2 SER C C 347 174.335 174.335 174.394 -0.059 18297 8350 1 18 . 1 1 2 2 SER CA C 347 58.350 58.350 58.096 0.254 18297 8351 1 18 . 1 1 2 2 SER CB C 347 63.999 63.999 65.363 -1.364 18297 8352 1 18 . 1 1 3 3 GLN N N 348 122.478 122.478 121.626 0.852 18297 8353 1 18 . 1 1 3 3 GLN HA H 348 4.430 4.430 4.451 -0.021 18297 8354 1 18 . 1 1 3 3 GLN C C 348 175.651 175.651 175.852 -0.201 18297 8355 1 18 . 1 1 3 3 GLN CA C 348 55.743 55.743 55.957 -0.214 18297 8356 1 18 . 1 1 3 3 GLN CB C 348 29.750 29.750 29.635 0.115 18297 8357 1 18 . 1 1 3 3 GLN H H 348 8.532 8.532 8.636 -0.104 18297 8358 1 18 . 1 1 4 4 LEU N N 349 125.369 125.369 122.513 2.856 18297 8359 1 18 . 1 1 4 4 LEU HA H 349 4.634 4.634 4.644 -0.010 18297 8360 1 18 . 1 1 4 4 LEU C C 349 175.324 175.324 175.186 0.138 18297 8361 1 18 . 1 1 4 4 LEU CA C 349 53.197 53.197 52.508 0.688 18297 8362 1 18 . 1 1 4 4 LEU CB C 349 41.867 41.867 41.503 0.364 18297 8363 1 18 . 1 1 4 4 LEU H H 349 8.403 8.403 7.593 0.810 18297 8364 1 18 . 1 1 5 5 PRO HA H 350 4.360 4.360 4.577 -0.217 18297 8365 1 18 . 1 1 5 5 PRO C C 350 176.639 176.639 175.771 0.868 18297 8366 1 18 . 1 1 5 5 PRO CA C 350 62.748 62.748 62.327 0.421 18297 8367 1 18 . 1 1 5 5 PRO CB C 350 32.319 32.319 32.201 0.118 18297 8368 1 18 . 1 1 6 6 GLN N N 351 121.707 121.707 122.650 -0.943 18297 8369 1 18 . 1 1 6 6 GLN HA H 351 4.428 4.428 4.457 -0.029 18297 8370 1 18 . 1 1 6 6 GLN C C 351 175.898 175.898 175.256 0.642 18297 8371 1 18 . 1 1 6 6 GLN CA C 351 55.678 55.678 54.858 0.820 18297 8372 1 18 . 1 1 6 6 GLN CB C 351 30.054 30.054 30.871 -0.817 18297 8373 1 18 . 1 1 6 6 GLN H H 351 8.255 8.255 8.527 -0.272 18297 8374 1 18 . 1 1 7 7 ASN N N 352 123.275 123.275 120.509 2.766 18297 8375 1 18 . 1 1 7 7 ASN HA H 352 5.470 5.470 5.505 -0.035 18297 8376 1 18 . 1 1 7 7 ASN C C 352 175.324 175.324 175.151 0.173 18297 8377 1 18 . 1 1 7 7 ASN CA C 352 54.009 54.009 52.231 1.778 18297 8378 1 18 . 1 1 7 7 ASN CB C 352 40.414 40.414 40.267 0.147 18297 8379 1 18 . 1 1 7 7 ASN H H 352 8.860 8.860 8.629 0.231 18297 8380 1 18 . 1 1 8 8 ILE N N 353 119.104 119.104 114.820 4.284 18297 8381 1 18 . 1 1 8 8 ILE HA H 353 4.625 4.625 4.778 -0.153 18297 8382 1 18 . 1 1 8 8 ILE C C 353 173.669 173.669 173.886 -0.217 18297 8383 1 18 . 1 1 8 8 ILE CA C 353 60.201 60.201 59.387 0.814 18297 8384 1 18 . 1 1 8 8 ILE CB C 353 41.404 41.404 41.740 -0.336 18297 8385 1 18 . 1 1 8 8 ILE H H 353 8.808 8.808 9.193 -0.385 18297 8386 1 18 . 1 1 9 9 GLN N N 354 122.671 122.671 121.155 1.516 18297 8387 1 18 . 1 1 9 9 GLN HA H 354 5.586 5.586 5.437 0.149 18297 8388 1 18 . 1 1 9 9 GLN C C 354 174.274 174.274 174.084 0.190 18297 8389 1 18 . 1 1 9 9 GLN CA C 354 54.491 54.491 54.020 0.471 18297 8390 1 18 . 1 1 9 9 GLN CB C 354 31.120 31.120 31.982 -0.862 18297 8391 1 18 . 1 1 9 9 GLN H H 354 8.021 8.021 8.022 -0.001 18297 8392 1 18 . 1 1 10 10 PHE N N 355 120.679 120.679 122.222 -1.543 18297 8393 1 18 . 1 1 10 10 PHE HA H 355 4.635 4.635 4.732 -0.097 18297 8394 1 18 . 1 1 10 10 PHE C C 355 174.715 174.715 174.433 0.282 18297 8395 1 18 . 1 1 10 10 PHE CA C 355 57.226 57.226 56.707 0.519 18297 8396 1 18 . 1 1 10 10 PHE CB C 355 45.969 45.969 43.901 2.068 18297 8397 1 18 . 1 1 10 10 PHE H H 355 8.403 8.403 9.311 -0.908 18297 8398 1 18 . 1 1 11 11 SER N N 356 116.116 116.116 117.768 -1.652 18297 8399 1 18 . 1 1 11 11 SER HA H 356 5.020 5.020 5.130 -0.110 18297 8400 1 18 . 1 1 11 11 SER C C 356 174.917 174.917 174.285 0.632 18297 8401 1 18 . 1 1 11 11 SER CA C 356 56.110 56.110 56.079 0.031 18297 8402 1 18 . 1 1 11 11 SER CB C 356 63.879 63.879 62.792 1.087 18297 8403 1 18 . 1 1 11 11 SER H H 356 8.757 8.757 8.644 0.113 18297 8404 1 18 . 1 1 12 12 PRO HA H 357 3.776 3.776 4.382 -0.606 18297 8405 1 18 . 1 1 12 12 PRO C C 357 176.155 176.155 177.684 -1.529 18297 8406 1 18 . 1 1 12 12 PRO CA C 357 64.886 64.886 65.524 -0.638 18297 8407 1 18 . 1 1 12 12 PRO CB C 357 31.222 31.222 31.730 -0.508 18297 8408 1 18 . 1 1 13 13 SER N N 358 107.859 107.859 110.837 -2.978 18297 8409 1 18 . 1 1 13 13 SER HA H 358 4.388 4.388 4.593 -0.205 18297 8410 1 18 . 1 1 13 13 SER C C 358 173.972 173.972 174.185 -0.213 18297 8411 1 18 . 1 1 13 13 SER CA C 358 57.728 57.728 58.306 -0.578 18297 8412 1 18 . 1 1 13 13 SER CB C 358 63.879 63.879 62.681 1.198 18297 8413 1 18 . 1 1 13 13 SER H H 358 7.636 7.636 8.109 -0.473 18297 8414 1 18 . 1 1 14 14 ALA N N 359 126.012 126.012 125.045 0.967 18297 8415 1 18 . 1 1 14 14 ALA HA H 359 4.320 4.320 4.775 -0.455 18297 8416 1 18 . 1 1 14 14 ALA C C 359 177.288 177.288 176.497 0.791 18297 8417 1 18 . 1 1 14 14 ALA CA C 359 52.849 52.849 51.775 1.074 18297 8418 1 18 . 1 1 14 14 ALA CB C 359 19.372 19.372 20.282 -0.910 18297 8419 1 18 . 1 1 14 14 ALA H H 359 7.937 7.937 8.309 -0.372 18297 8420 1 18 . 1 1 15 15 LYS N N 360 119.699 119.699 121.998 -2.299 18297 8421 1 18 . 1 1 15 15 LYS HA H 360 4.751 4.751 4.772 -0.021 18297 8422 1 18 . 1 1 15 15 LYS C C 360 179.638 179.638 177.603 2.035 18297 8423 1 18 . 1 1 15 15 LYS CA C 360 54.815 54.815 54.426 0.389 18297 8424 1 18 . 1 1 15 15 LYS CB C 360 33.127 33.127 33.144 -0.017 18297 8425 1 18 . 1 1 15 15 LYS H H 360 8.523 8.523 9.314 -0.791 18297 8426 1 18 . 1 1 16 16 LEU N N 361 123.297 123.297 123.664 -0.367 18297 8427 1 18 . 1 1 16 16 LEU HA H 361 3.828 3.828 3.949 -0.121 18297 8428 1 18 . 1 1 16 16 LEU C C 361 178.714 178.714 178.097 0.617 18297 8429 1 18 . 1 1 16 16 LEU CA C 361 58.321 58.321 58.092 0.229 18297 8430 1 18 . 1 1 16 16 LEU CB C 361 40.240 40.240 41.764 -1.524 18297 8431 1 18 . 1 1 16 16 LEU H H 361 8.383 8.383 8.329 0.054 18297 8432 1 18 . 1 1 17 17 GLN N N 362 117.900 117.900 119.037 -1.137 18297 8433 1 18 . 1 1 17 17 GLN HA H 362 3.621 3.621 3.930 -0.309 18297 8434 1 18 . 1 1 17 17 GLN C C 362 176.370 176.370 178.143 -1.773 18297 8435 1 18 . 1 1 17 17 GLN CA C 362 58.547 58.547 59.057 -0.510 18297 8436 1 18 . 1 1 17 17 GLN CB C 362 29.442 29.442 27.755 1.687 18297 8437 1 18 . 1 1 17 17 GLN H H 362 8.766 8.766 7.652 1.114 18297 8438 1 18 . 1 1 18 18 GLU N N 363 116.341 116.341 119.132 -2.791 18297 8439 1 18 . 1 1 18 18 GLU HA H 363 4.201 4.201 4.105 0.096 18297 8440 1 18 . 1 1 18 18 GLU C C 363 180.135 180.135 179.259 0.876 18297 8441 1 18 . 1 1 18 18 GLU CA C 363 59.669 59.669 59.568 0.101 18297 8442 1 18 . 1 1 18 18 GLU CB C 363 29.870 29.870 28.944 0.926 18297 8443 1 18 . 1 1 18 18 GLU H H 363 7.783 7.783 8.621 -0.838 18297 8444 1 18 . 1 1 19 19 VAL N N 364 120.647 120.647 119.562 1.085 18297 8445 1 18 . 1 1 19 19 VAL HA H 364 3.421 3.421 3.564 -0.143 18297 8446 1 18 . 1 1 19 19 VAL C C 364 177.380 177.380 178.134 -0.754 18297 8447 1 18 . 1 1 19 19 VAL CA C 364 65.433 65.433 65.671 -0.238 18297 8448 1 18 . 1 1 19 19 VAL CB C 364 30.964 30.964 31.274 -0.310 18297 8449 1 18 . 1 1 19 19 VAL H H 364 7.224 7.224 7.061 0.163 18297 8450 1 18 . 1 1 20 20 LEU N N 365 120.743 120.743 119.479 1.264 18297 8451 1 18 . 1 1 20 20 LEU HA H 365 3.916 3.916 3.919 -0.003 18297 8452 1 18 . 1 1 20 20 LEU C C 365 178.974 178.974 178.636 0.338 18297 8453 1 18 . 1 1 20 20 LEU CA C 365 58.612 58.612 58.091 0.521 18297 8454 1 18 . 1 1 20 20 LEU CB C 365 41.425 41.425 41.059 0.366 18297 8455 1 18 . 1 1 20 20 LEU H H 365 7.517 7.517 7.438 0.079 18297 8456 1 18 . 1 1 21 21 ASP N N 366 119.329 119.329 119.257 0.072 18297 8457 1 18 . 1 1 21 21 ASP HA H 366 4.306 4.306 4.272 0.034 18297 8458 1 18 . 1 1 21 21 ASP C C 366 177.992 177.992 177.194 0.798 18297 8459 1 18 . 1 1 21 21 ASP CA C 366 57.405 57.405 57.254 0.151 18297 8460 1 18 . 1 1 21 21 ASP CB C 366 40.265 40.265 41.335 -1.070 18297 8461 1 18 . 1 1 21 21 ASP H H 366 8.805 8.805 8.249 0.556 18297 8462 1 18 . 1 1 22 22 TYR N N 367 121.643 121.643 118.587 3.056 18297 8463 1 18 . 1 1 22 22 TYR HA H 367 4.305 4.305 4.278 0.027 18297 8464 1 18 . 1 1 22 22 TYR C C 367 177.701 177.701 177.113 0.588 18297 8465 1 18 . 1 1 22 22 TYR CA C 367 61.777 61.777 60.300 1.477 18297 8466 1 18 . 1 1 22 22 TYR CB C 367 38.801 38.801 38.988 -0.187 18297 8467 1 18 . 1 1 22 22 TYR H H 367 7.718 7.718 8.061 -0.343 18297 8468 1 18 . 1 1 23 23 LEU N N 368 118.414 118.414 118.504 -0.090 18297 8469 1 18 . 1 1 23 23 LEU HA H 368 3.910 3.910 3.826 0.084 18297 8470 1 18 . 1 1 23 23 LEU C C 368 178.019 178.019 177.989 0.030 18297 8471 1 18 . 1 1 23 23 LEU CA C 368 57.773 57.773 57.455 0.318 18297 8472 1 18 . 1 1 23 23 LEU CB C 368 42.032 42.032 42.165 -0.133 18297 8473 1 18 . 1 1 23 23 LEU H H 368 8.060 8.060 7.337 0.723 18297 8474 1 18 . 1 1 24 24 THR N N 369 106.606 106.606 109.441 -2.835 18297 8475 1 18 . 1 1 24 24 THR HA H 369 4.507 4.507 4.316 0.191 18297 8476 1 18 . 1 1 24 24 THR C C 369 176.576 176.576 173.582 2.994 18297 8477 1 18 . 1 1 24 24 THR CA C 369 63.245 63.245 63.192 0.053 18297 8478 1 18 . 1 1 24 24 THR CB C 369 70.517 70.517 70.059 0.458 18297 8479 1 18 . 1 1 24 24 THR H H 369 8.017 8.017 7.659 0.358 18297 8480 1 18 . 1 1 25 25 ASN N N 370 118.847 118.847 119.427 -0.580 18297 8481 1 18 . 1 1 25 25 ASN HA H 370 4.846 4.846 4.820 0.026 18297 8482 1 18 . 1 1 25 25 ASN C C 370 176.455 176.455 175.186 1.269 18297 8483 1 18 . 1 1 25 25 ASN CA C 370 53.944 53.944 52.191 1.753 18297 8484 1 18 . 1 1 25 25 ASN CB C 370 39.718 39.718 40.570 -0.852 18297 8485 1 18 . 1 1 25 25 ASN H H 370 8.149 8.149 8.327 -0.178 18297 8486 1 18 . 1 1 26 26 SER N N 371 116.888 116.888 119.262 -2.374 18297 8487 1 18 . 1 1 26 26 SER HA H 371 4.375 4.375 4.379 -0.004 18297 8488 1 18 . 1 1 26 26 SER C C 371 176.257 176.257 174.890 1.367 18297 8489 1 18 . 1 1 26 26 SER CA C 371 59.603 59.603 61.291 -1.688 18297 8490 1 18 . 1 1 26 26 SER CB C 371 63.792 63.792 63.703 0.090 18297 8491 1 18 . 1 1 26 26 SER H H 371 7.889 7.889 8.742 -0.853 18297 8492 1 18 . 1 1 27 27 ALA N N 372 128.743 128.743 122.008 6.735 18297 8493 1 18 . 1 1 27 27 ALA HA H 372 4.228 4.228 4.328 -0.100 18297 8494 1 18 . 1 1 27 27 ALA C C 372 178.538 178.538 180.129 -1.591 18297 8495 1 18 . 1 1 27 27 ALA CA C 372 54.491 54.491 53.962 0.529 18297 8496 1 18 . 1 1 27 27 ALA CB C 372 18.772 18.772 19.041 -0.269 18297 8497 1 18 . 1 1 27 27 ALA H H 372 8.836 8.836 7.911 0.925 18297 8498 1 18 . 1 1 28 28 SER N N 373 110.751 110.751 115.435 -4.684 18297 8499 1 18 . 1 1 28 28 SER HA H 373 4.426 4.426 4.380 0.046 18297 8500 1 18 . 1 1 28 28 SER C C 373 174.548 174.548 175.629 -1.081 18297 8501 1 18 . 1 1 28 28 SER CA C 373 59.415 59.415 60.957 -1.542 18297 8502 1 18 . 1 1 28 28 SER CB C 373 63.394 63.394 63.484 -0.090 18297 8503 1 18 . 1 1 28 28 SER H H 373 8.069 8.069 8.684 -0.615 18297 8504 1 18 . 1 1 29 29 LEU N N 374 122.012 122.012 121.369 0.643 18297 8505 1 18 . 1 1 29 29 LEU HA H 374 4.465 4.465 4.557 -0.092 18297 8506 1 18 . 1 1 29 29 LEU C C 374 175.716 175.716 177.085 -1.369 18297 8507 1 18 . 1 1 29 29 LEU CA C 374 56.132 56.132 53.898 2.234 18297 8508 1 18 . 1 1 29 29 LEU CB C 374 44.295 44.295 42.222 2.073 18297 8509 1 18 . 1 1 29 29 LEU H H 374 7.547 7.547 7.725 -0.178 18297 8510 1 18 . 1 1 30 30 GLN N N 375 116.052 116.052 119.060 -3.008 18297 8511 1 18 . 1 1 30 30 GLN HA H 375 4.003 4.003 4.108 -0.105 18297 8512 1 18 . 1 1 30 30 GLN C C 375 175.498 175.498 177.256 -1.758 18297 8513 1 18 . 1 1 30 30 GLN CA C 375 56.434 56.434 58.793 -2.359 18297 8514 1 18 . 1 1 30 30 GLN CB C 375 27.948 27.948 28.636 -0.688 18297 8515 1 18 . 1 1 30 30 GLN H H 375 8.060 8.060 7.602 0.458 18297 8516 1 18 . 1 1 31 31 MET N N 376 117.691 117.691 114.618 3.073 18297 8517 1 18 . 1 1 31 31 MET HA H 376 4.283 4.283 4.616 -0.333 18297 8518 1 18 . 1 1 31 31 MET C C 376 175.843 175.843 177.464 -1.621 18297 8519 1 18 . 1 1 31 31 MET CA C 376 57.728 57.728 56.131 1.597 18297 8520 1 18 . 1 1 31 31 MET CB C 376 33.451 33.451 32.869 0.582 18297 8521 1 18 . 1 1 31 31 MET H H 376 8.211 8.211 8.237 -0.026 18297 8522 1 18 . 1 1 32 32 LYS N N 377 122.028 122.028 120.810 1.218 18297 8523 1 18 . 1 1 32 32 LYS HA H 377 4.414 4.414 4.269 0.145 18297 8524 1 18 . 1 1 32 32 LYS C C 377 177.837 177.837 176.133 1.704 18297 8525 1 18 . 1 1 32 32 LYS CA C 377 58.052 58.052 56.459 1.593 18297 8526 1 18 . 1 1 32 32 LYS CB C 377 34.994 34.994 32.317 2.677 18297 8527 1 18 . 1 1 32 32 LYS H H 377 9.461 9.461 8.214 1.247 18297 8528 1 18 . 1 1 33 33 SER N N 378 115.056 115.056 115.953 -0.897 18297 8529 1 18 . 1 1 33 33 SER HA H 378 4.650 4.650 4.601 0.049 18297 8530 1 18 . 1 1 33 33 SER C C 378 172.026 172.026 173.487 -1.461 18297 8531 1 18 . 1 1 33 33 SER CA C 378 55.038 55.038 56.488 -1.450 18297 8532 1 18 . 1 1 33 33 SER CB C 378 62.908 62.908 62.910 -0.002 18297 8533 1 18 . 1 1 33 33 SER H H 378 10.101 10.101 7.967 2.134 18297 8534 1 18 . 1 1 34 34 PRO HA H 379 5.043 5.043 4.325 0.718 18297 8535 1 18 . 1 1 34 34 PRO C C 379 175.422 175.422 175.324 0.098 18297 8536 1 18 . 1 1 34 34 PRO CA C 379 63.792 63.792 63.308 0.484 18297 8537 1 18 . 1 1 34 34 PRO CB C 379 33.703 33.703 32.247 1.456 18297 8538 1 18 . 1 1 35 35 ALA N N 380 121.498 121.498 123.919 -2.421 18297 8539 1 18 . 1 1 35 35 ALA HA H 380 5.137 5.137 4.041 1.096 18297 8540 1 18 . 1 1 35 35 ALA C C 380 177.313 177.313 175.512 1.801 18297 8541 1 18 . 1 1 35 35 ALA CA C 380 50.661 50.661 49.888 0.773 18297 8542 1 18 . 1 1 35 35 ALA CB C 380 22.118 22.118 21.135 0.983 18297 8543 1 18 . 1 1 35 35 ALA H H 380 8.894 8.894 8.680 0.214 18297 8544 1 18 . 1 1 36 36 ILE N N 381 120.470 120.470 120.180 0.290 18297 8545 1 18 . 1 1 36 36 ILE HA H 381 4.967 4.967 5.597 -0.630 18297 8546 1 18 . 1 1 36 36 ILE C C 381 175.314 175.314 175.170 0.144 18297 8547 1 18 . 1 1 36 36 ILE CA C 381 61.056 61.056 59.248 1.808 18297 8548 1 18 . 1 1 36 36 ILE CB C 381 41.364 41.364 40.114 1.250 18297 8549 1 18 . 1 1 36 36 ILE H H 381 9.038 9.038 8.583 0.455 18297 8550 1 18 . 1 1 37 37 THR N N 382 123.297 123.297 122.601 0.696 18297 8551 1 18 . 1 1 37 37 THR HA H 382 5.252 5.252 4.973 0.279 18297 8552 1 18 . 1 1 37 37 THR C C 382 172.289 172.289 172.762 -0.473 18297 8553 1 18 . 1 1 37 37 THR CA C 382 60.977 60.977 61.152 -0.175 18297 8554 1 18 . 1 1 37 37 THR CB C 382 71.919 71.919 71.636 0.283 18297 8555 1 18 . 1 1 37 37 THR H H 382 9.363 9.363 8.623 0.740 18297 8556 1 18 . 1 1 38 38 ALA N N 383 123.340 123.340 127.728 -4.388 18297 8557 1 18 . 1 1 38 38 ALA HA H 383 4.935 4.935 4.971 -0.036 18297 8558 1 18 . 1 1 38 38 ALA C C 383 175.743 175.743 175.423 0.320 18297 8559 1 18 . 1 1 38 38 ALA CA C 383 51.147 51.147 50.182 0.965 18297 8560 1 18 . 1 1 38 38 ALA CB C 383 22.758 22.758 22.703 0.055 18297 8561 1 18 . 1 1 38 38 ALA H H 383 8.896 8.896 9.281 -0.385 18297 8562 1 18 . 1 1 39 39 THR N N 384 118.815 118.815 118.477 0.338 18297 8563 1 18 . 1 1 39 39 THR HA H 384 4.892 4.892 4.972 -0.080 18297 8564 1 18 . 1 1 39 39 THR C C 384 174.098 174.098 173.740 0.358 18297 8565 1 18 . 1 1 39 39 THR CA C 384 62.310 62.310 62.347 -0.037 18297 8566 1 18 . 1 1 39 39 THR CB C 384 69.263 69.263 69.497 -0.234 18297 8567 1 18 . 1 1 39 39 THR H H 384 8.968 8.968 8.718 0.250 18297 8568 1 18 . 1 1 40 40 LEU N N 385 128.711 128.711 128.312 0.399 18297 8569 1 18 . 1 1 40 40 LEU HA H 385 4.791 4.791 4.794 -0.003 18297 8570 1 18 . 1 1 40 40 LEU C C 385 176.479 176.479 176.172 0.307 18297 8571 1 18 . 1 1 40 40 LEU CA C 385 53.944 53.944 53.555 0.389 18297 8572 1 18 . 1 1 40 40 LEU CB C 385 44.966 44.966 44.480 0.486 18297 8573 1 18 . 1 1 40 40 LEU H H 385 8.667 8.667 9.081 -0.414 18297 8574 1 18 . 1 1 41 41 GLU N N 386 124.470 124.470 126.477 -2.007 18297 8575 1 18 . 1 1 41 41 GLU HA H 386 3.936 3.936 3.923 0.013 18297 8576 1 18 . 1 1 41 41 GLU C C 386 176.878 176.878 176.182 0.696 18297 8577 1 18 . 1 1 41 41 GLU CA C 386 57.226 57.226 56.721 0.505 18297 8578 1 18 . 1 1 41 41 GLU CB C 386 27.735 27.735 28.267 -0.532 18297 8579 1 18 . 1 1 41 41 GLU H H 386 9.547 9.547 9.401 0.146 18297 8580 1 18 . 1 1 42 42 GLY N N 387 104.068 104.068 103.856 0.212 18297 8581 1 18 . 1 1 42 42 GLY C C 387 173.993 173.993 173.750 0.243 18297 8582 1 18 . 1 1 42 42 GLY CA C 387 45.596 45.596 44.946 0.650 18297 8583 1 18 . 1 1 42 42 GLY H H 387 8.578 8.578 8.251 0.327 18297 8584 1 18 . 1 1 43 43 LYS N N 388 120.422 120.422 122.040 -1.618 18297 8585 1 18 . 1 1 43 43 LYS HA H 388 4.701 4.701 4.537 0.164 18297 8586 1 18 . 1 1 43 43 LYS C C 388 175.054 175.054 174.928 0.126 18297 8587 1 18 . 1 1 43 43 LYS CA C 388 54.491 54.491 54.836 -0.345 18297 8588 1 18 . 1 1 43 43 LYS CB C 388 34.968 34.968 34.455 0.513 18297 8589 1 18 . 1 1 43 43 LYS H H 388 7.826 7.826 7.711 0.115 18297 8590 1 18 . 1 1 44 44 ASN N N 389 122.606 122.606 124.221 -1.615 18297 8591 1 18 . 1 1 44 44 ASN HA H 389 4.895 4.895 5.099 -0.204 18297 8592 1 18 . 1 1 44 44 ASN C C 389 174.905 174.905 174.493 0.412 18297 8593 1 18 . 1 1 44 44 ASN CA C 389 53.944 53.944 53.451 0.493 18297 8594 1 18 . 1 1 44 44 ASN CB C 389 39.229 39.229 39.554 -0.325 18297 8595 1 18 . 1 1 44 44 ASN H H 389 8.827 8.827 8.846 -0.019 18297 8596 1 18 . 1 1 45 45 ARG N N 390 125.867 125.867 127.037 -1.170 18297 8597 1 18 . 1 1 45 45 ARG HA H 390 4.756 4.756 4.660 0.096 18297 8598 1 18 . 1 1 45 45 ARG C C 390 175.224 175.224 174.826 0.398 18297 8599 1 18 . 1 1 45 45 ARG CA C 390 54.491 54.491 54.876 -0.385 18297 8600 1 18 . 1 1 45 45 ARG CB C 390 32.973 32.973 32.791 0.182 18297 8601 1 18 . 1 1 45 45 ARG H H 390 9.220 9.220 9.247 -0.027 18297 8602 1 18 . 1 1 46 46 THR N N 391 122.574 122.574 124.035 -1.461 18297 8603 1 18 . 1 1 46 46 THR HA H 391 4.289 4.289 4.401 -0.112 18297 8604 1 18 . 1 1 46 46 THR C C 391 174.010 174.010 174.302 -0.292 18297 8605 1 18 . 1 1 46 46 THR CA C 391 63.509 63.509 63.294 0.215 18297 8606 1 18 . 1 1 46 46 THR CB C 391 68.716 68.716 69.415 -0.699 18297 8607 1 18 . 1 1 46 46 THR H H 391 8.940 8.940 8.272 0.668 18297 8608 1 18 . 1 1 47 47 LEU N N 392 128.647 128.647 127.528 1.119 18297 8609 1 18 . 1 1 47 47 LEU HA H 392 4.339 4.339 4.307 0.032 18297 8610 1 18 . 1 1 47 47 LEU C C 392 176.670 176.670 177.481 -0.811 18297 8611 1 18 . 1 1 47 47 LEU CA C 392 56.132 56.132 56.113 0.019 18297 8612 1 18 . 1 1 47 47 LEU CB C 392 42.678 42.678 42.142 0.536 18297 8613 1 18 . 1 1 47 47 LEU H H 392 9.096 9.096 8.535 0.561 18297 8614 1 18 . 1 1 48 48 TYR N N 393 113.514 113.514 119.918 -6.404 18297 8615 1 18 . 1 1 48 48 TYR HA H 393 4.618 4.618 4.142 0.476 18297 8616 1 18 . 1 1 48 48 TYR C C 393 173.455 173.455 175.151 -1.696 18297 8617 1 18 . 1 1 48 48 TYR CA C 393 59.415 59.415 61.076 -1.661 18297 8618 1 18 . 1 1 48 48 TYR CB C 393 41.384 41.384 39.588 1.796 18297 8619 1 18 . 1 1 48 48 TYR H H 393 7.562 7.562 7.852 -0.290 18297 8620 1 18 . 1 1 57 57 GLU N N 402 128.181 128.181 125.444 2.737 18297 8621 1 18 . 1 1 57 57 GLU H H 402 8.645 8.645 8.692 -0.047 18297 8622 1 18 . 1 1 58 58 ARG N N 403 117.080 117.080 125.389 -8.309 18297 8623 1 18 . 1 1 58 58 ARG HA H 403 4.302 4.302 4.678 -0.376 18297 8624 1 18 . 1 1 58 58 ARG CA C 403 58.321 58.321 55.095 3.226 18297 8625 1 18 . 1 1 58 58 ARG CB C 403 31.165 31.165 31.638 -0.473 18297 8626 1 18 . 1 1 58 58 ARG H H 403 8.278 8.278 8.742 -0.464 18297 8627 1 18 . 1 1 59 59 THR N N 404 108.390 108.390 114.023 -5.633 18297 8628 1 18 . 1 1 59 59 THR HA H 404 4.932 4.932 4.234 0.698 18297 8629 1 18 . 1 1 59 59 THR H H 404 8.301 8.301 8.316 -0.015 18297 8630 1 18 . 1 1 60 60 ARG N N 405 126.639 126.639 118.322 8.317 18297 8631 1 18 . 1 1 60 60 ARG H H 405 8.549 8.549 7.923 0.626 18297 8632 1 18 . 1 1 61 61 PRO HA H 406 4.431 4.431 4.305 0.126 18297 8633 1 18 . 1 1 61 61 PRO C C 406 178.434 178.434 177.841 0.593 18297 8634 1 18 . 1 1 61 61 PRO CA C 406 65.980 65.980 65.282 0.698 18297 8635 1 18 . 1 1 61 61 PRO CB C 406 31.348 31.348 31.969 -0.621 18297 8636 1 18 . 1 1 62 62 ASN N N 407 114.574 114.574 116.700 -2.126 18297 8637 1 18 . 1 1 62 62 ASN HA H 407 4.390 4.390 4.465 -0.075 18297 8638 1 18 . 1 1 62 62 ASN C C 407 177.863 177.863 177.927 -0.064 18297 8639 1 18 . 1 1 62 62 ASN CA C 407 55.308 55.308 55.418 -0.110 18297 8640 1 18 . 1 1 62 62 ASN CB C 407 37.530 37.530 37.741 -0.211 18297 8641 1 18 . 1 1 62 62 ASN H H 407 8.481 8.481 8.493 -0.012 18297 8642 1 18 . 1 1 63 63 LEU N N 408 115.667 115.667 119.118 -3.451 18297 8643 1 18 . 1 1 63 63 LEU HA H 408 3.861 3.861 4.071 -0.210 18297 8644 1 18 . 1 1 63 63 LEU C C 408 177.708 177.708 178.232 -0.524 18297 8645 1 18 . 1 1 63 63 LEU CA C 408 57.667 57.667 57.410 0.257 18297 8646 1 18 . 1 1 63 63 LEU CB C 408 41.706 41.706 41.571 0.135 18297 8647 1 18 . 1 1 63 63 LEU H H 408 8.022 8.022 7.419 0.603 18297 8648 1 18 . 1 1 64 64 SER N N 409 109.209 109.209 111.341 -2.132 18297 8649 1 18 . 1 1 64 64 SER HA H 409 4.588 4.588 4.443 0.145 18297 8650 1 18 . 1 1 64 64 SER C C 409 173.870 173.870 174.168 -0.298 18297 8651 1 18 . 1 1 64 64 SER CA C 409 58.321 58.321 58.565 -0.244 18297 8652 1 18 . 1 1 64 64 SER CB C 409 63.855 63.855 63.445 0.410 18297 8653 1 18 . 1 1 64 64 SER H H 409 7.232 7.232 7.669 -0.437 18297 8654 1 18 . 1 1 65 65 LYS N N 410 122.735 122.735 121.367 1.368 18297 8655 1 18 . 1 1 65 65 LYS HA H 410 4.609 4.609 4.675 -0.066 18297 8656 1 18 . 1 1 65 65 LYS C C 410 175.946 175.946 176.420 -0.474 18297 8657 1 18 . 1 1 65 65 LYS CA C 410 55.463 55.463 54.187 1.276 18297 8658 1 18 . 1 1 65 65 LYS CB C 410 34.422 34.422 33.875 0.547 18297 8659 1 18 . 1 1 65 65 LYS H H 410 7.543 7.543 7.240 0.303 18297 8660 1 18 . 1 1 66 66 THR N N 411 110.944 110.944 111.503 -0.559 18297 8661 1 18 . 1 1 66 66 THR HA H 411 5.003 5.003 4.885 0.118 18297 8662 1 18 . 1 1 66 66 THR C C 411 176.038 176.038 176.513 -0.475 18297 8663 1 18 . 1 1 66 66 THR CA C 411 60.221 60.221 60.633 -0.412 18297 8664 1 18 . 1 1 66 66 THR CB C 411 70.956 70.956 70.828 0.129 18297 8665 1 18 . 1 1 66 66 THR H H 411 8.980 8.980 9.154 -0.174 18297 8666 1 18 . 1 1 67 67 LEU N N 412 118.076 118.076 121.230 -3.154 18297 8667 1 18 . 1 1 67 67 LEU HA H 412 3.961 3.961 4.016 -0.055 18297 8668 1 18 . 1 1 67 67 LEU C C 412 179.227 179.227 178.734 0.493 18297 8669 1 18 . 1 1 67 67 LEU CA C 412 58.321 58.321 58.512 -0.191 18297 8670 1 18 . 1 1 67 67 LEU CB C 412 39.914 39.914 41.451 -1.537 18297 8671 1 18 . 1 1 67 67 LEU H H 412 8.434 8.434 8.904 -0.470 18297 8672 1 18 . 1 1 68 68 LYS N N 413 116.373 116.373 120.005 -3.632 18297 8673 1 18 . 1 1 68 68 LYS HA H 413 4.285 4.285 3.868 0.417 18297 8674 1 18 . 1 1 68 68 LYS C C 413 181.338 181.338 179.402 1.936 18297 8675 1 18 . 1 1 68 68 LYS CA C 413 58.868 58.868 59.475 -0.607 18297 8676 1 18 . 1 1 68 68 LYS CB C 413 32.606 32.606 32.209 0.397 18297 8677 1 18 . 1 1 68 68 LYS H H 413 8.171 8.171 7.703 0.468 18297 8678 1 18 . 1 1 69 69 GLU N N 414 123.731 123.731 119.686 4.045 18297 8679 1 18 . 1 1 69 69 GLU HA H 414 4.072 4.072 4.089 -0.017 18297 8680 1 18 . 1 1 69 69 GLU C C 414 179.202 179.202 178.318 0.884 18297 8681 1 18 . 1 1 69 69 GLU CA C 414 58.868 58.868 58.678 0.190 18297 8682 1 18 . 1 1 69 69 GLU CB C 414 29.566 29.566 29.470 0.096 18297 8683 1 18 . 1 1 69 69 GLU H H 414 8.326 8.326 7.650 0.676 18297 8684 1 18 . 1 1 70 70 LEU N N 415 119.008 119.008 116.894 2.114 18297 8685 1 18 . 1 1 70 70 LEU HA H 415 4.218 4.218 4.323 -0.105 18297 8686 1 18 . 1 1 70 70 LEU C C 415 176.505 176.505 177.372 -0.867 18297 8687 1 18 . 1 1 70 70 LEU CA C 415 55.822 55.822 55.256 0.566 18297 8688 1 18 . 1 1 70 70 LEU CB C 415 43.012 43.012 42.433 0.579 18297 8689 1 18 . 1 1 70 70 LEU H H 415 7.993 7.993 7.536 0.457 18297 8690 1 18 . 1 1 71 71 GLY N N 416 105.578 105.578 106.129 -0.551 18297 8691 1 18 . 1 1 71 71 GLY C C 416 174.505 174.505 174.598 -0.093 18297 8692 1 18 . 1 1 71 71 GLY CA C 416 45.191 45.191 45.130 0.061 18297 8693 1 18 . 1 1 71 71 GLY H H 416 7.880 7.880 7.630 0.250 18297 8694 1 18 . 1 1 72 72 LEU N N 417 119.201 119.201 121.944 -2.743 18297 8695 1 18 . 1 1 72 72 LEU HA H 417 4.599 4.599 4.588 0.011 18297 8696 1 18 . 1 1 72 72 LEU C C 417 176.208 176.208 175.818 0.390 18297 8697 1 18 . 1 1 72 72 LEU CA C 417 54.815 54.815 55.541 -0.726 18297 8698 1 18 . 1 1 72 72 LEU CB C 417 41.867 41.867 43.202 -1.335 18297 8699 1 18 . 1 1 72 72 LEU H H 417 7.466 7.466 7.482 -0.016 18297 8700 1 18 . 1 1 73 73 VAL N N 418 112.871 112.871 122.487 -9.616 18297 8701 1 18 . 1 1 73 73 VAL HA H 418 4.782 4.782 4.394 0.388 18297 8702 1 18 . 1 1 73 73 VAL C C 418 174.804 174.804 174.697 0.107 18297 8703 1 18 . 1 1 73 73 VAL CA C 418 59.070 59.070 59.337 -0.267 18297 8704 1 18 . 1 1 73 73 VAL CB C 418 35.557 35.557 35.231 0.326 18297 8705 1 18 . 1 1 73 73 VAL H H 418 8.003 8.003 8.080 -0.077 18297 8706 1 18 . 1 1 74 74 ASP N N 419 119.972 119.972 126.128 -6.156 18297 8707 1 18 . 1 1 74 74 ASP HA H 419 3.593 3.593 4.657 -1.064 18297 8708 1 18 . 1 1 74 74 ASP C C 419 177.545 177.545 177.154 0.391 18297 8709 1 18 . 1 1 74 74 ASP CA C 419 56.419 56.419 55.888 0.531 18297 8710 1 18 . 1 1 74 74 ASP CB C 419 42.035 42.035 40.920 1.115 18297 8711 1 18 . 1 1 74 74 ASP H H 419 8.250 8.250 8.808 -0.558 18297 8712 1 18 . 1 1 75 75 GLY N N 420 116.020 116.020 114.720 1.300 18297 8713 1 18 . 1 1 75 75 GLY C C 420 173.763 173.763 173.466 0.297 18297 8714 1 18 . 1 1 75 75 GLY CA C 420 45.354 45.354 44.674 0.680 18297 8715 1 18 . 1 1 75 75 GLY H H 420 8.704 8.704 8.764 -0.060 18297 8716 1 18 . 1 1 76 76 GLN N N 421 121.514 121.514 121.856 -0.342 18297 8717 1 18 . 1 1 76 76 GLN HA H 421 4.048 4.048 4.363 -0.315 18297 8718 1 18 . 1 1 76 76 GLN C C 421 175.023 175.023 174.750 0.273 18297 8719 1 18 . 1 1 76 76 GLN CA C 421 56.709 56.709 55.115 1.594 18297 8720 1 18 . 1 1 76 76 GLN CB C 421 29.511 29.511 29.950 -0.439 18297 8721 1 18 . 1 1 76 76 GLN H H 421 7.867 7.867 7.508 0.359 18297 8722 1 18 . 1 1 77 77 GLU N N 422 123.859 123.859 124.536 -0.677 18297 8723 1 18 . 1 1 77 77 GLU HA H 422 5.186 5.186 5.186 -0.000 18297 8724 1 18 . 1 1 77 77 GLU C C 422 176.877 176.877 175.568 1.309 18297 8725 1 18 . 1 1 77 77 GLU CA C 422 55.786 55.786 54.400 1.386 18297 8726 1 18 . 1 1 77 77 GLU CB C 422 31.509 31.509 30.882 0.627 18297 8727 1 18 . 1 1 77 77 GLU H H 422 8.568 8.568 8.492 0.076 18297 8728 1 18 . 1 1 78 78 LEU N N 423 125.867 125.867 123.757 2.110 18297 8729 1 18 . 1 1 78 78 LEU HA H 423 5.080 5.080 4.707 0.373 18297 8730 1 18 . 1 1 78 78 LEU C C 423 174.470 174.470 176.200 -1.730 18297 8731 1 18 . 1 1 78 78 LEU CA C 423 53.686 53.686 54.049 -0.363 18297 8732 1 18 . 1 1 78 78 LEU CB C 423 44.966 44.966 43.320 1.646 18297 8733 1 18 . 1 1 78 78 LEU H H 423 9.313 9.313 9.098 0.215 18297 8734 1 18 . 1 1 79 79 ALA N N 424 126.044 126.044 125.870 0.174 18297 8735 1 18 . 1 1 79 79 ALA HA H 424 5.206 5.206 5.132 0.074 18297 8736 1 18 . 1 1 79 79 ALA C C 424 176.786 176.786 175.937 0.849 18297 8737 1 18 . 1 1 79 79 ALA CA C 424 51.049 51.049 50.492 0.557 18297 8738 1 18 . 1 1 79 79 ALA CB C 424 20.453 20.453 20.979 -0.526 18297 8739 1 18 . 1 1 79 79 ALA H H 424 8.918 8.918 9.208 -0.290 18297 8740 1 18 . 1 1 80 80 VAL N N 425 124.759 124.759 124.596 0.163 18297 8741 1 18 . 1 1 80 80 VAL HA H 425 5.344 5.344 4.926 0.418 18297 8742 1 18 . 1 1 80 80 VAL C C 425 173.757 173.757 174.501 -0.744 18297 8743 1 18 . 1 1 80 80 VAL CA C 425 60.886 60.886 60.585 0.301 18297 8744 1 18 . 1 1 80 80 VAL CB C 425 34.908 34.908 33.687 1.221 18297 8745 1 18 . 1 1 80 80 VAL H H 425 9.357 9.357 8.501 0.856 18297 8746 1 18 . 1 1 81 81 ALA N N 426 129.353 129.353 130.014 -0.661 18297 8747 1 18 . 1 1 81 81 ALA HA H 426 5.045 5.045 4.860 0.185 18297 8748 1 18 . 1 1 81 81 ALA C C 426 175.938 175.938 175.147 0.791 18297 8749 1 18 . 1 1 81 81 ALA CA C 426 50.133 50.133 50.125 0.008 18297 8750 1 18 . 1 1 81 81 ALA CB C 426 22.758 22.758 22.598 0.160 18297 8751 1 18 . 1 1 81 81 ALA H H 426 8.502 8.502 9.025 -0.523 18297 8752 1 18 . 1 1 82 82 ASP N N 427 120.165 120.165 122.185 -2.020 18297 8753 1 18 . 1 1 82 82 ASP HA H 427 5.100 5.100 4.925 0.175 18297 8754 1 18 . 1 1 82 82 ASP C C 427 176.669 176.669 176.728 -0.059 18297 8755 1 18 . 1 1 82 82 ASP CA C 427 54.491 54.491 52.583 1.908 18297 8756 1 18 . 1 1 82 82 ASP CB C 427 46.891 46.891 44.584 2.307 18297 8757 1 18 . 1 1 82 82 ASP H H 427 8.906 8.906 8.158 0.748 18297 8758 1 18 . 1 1 83 83 VAL N N 428 119.201 119.201 117.750 1.451 18297 8759 1 18 . 1 1 83 83 VAL HA H 428 4.153 4.153 4.285 -0.132 18297 8760 1 18 . 1 1 83 83 VAL C C 428 177.085 177.085 176.621 0.464 18297 8761 1 18 . 1 1 83 83 VAL CA C 428 63.992 63.992 64.395 -0.403 18297 8762 1 18 . 1 1 83 83 VAL CB C 428 31.772 31.772 31.856 -0.084 18297 8763 1 18 . 1 1 83 83 VAL H H 428 8.114 8.114 8.622 -0.508 18297 8764 1 18 . 1 1 84 84 THR N N 429 110.173 110.173 115.918 -5.745 18297 8765 1 18 . 1 1 84 84 THR HA H 429 4.235 4.235 4.442 -0.207 18297 8766 1 18 . 1 1 84 84 THR C C 429 174.905 174.905 174.675 0.230 18297 8767 1 18 . 1 1 84 84 THR CA C 429 63.533 63.533 62.926 0.607 18297 8768 1 18 . 1 1 84 84 THR CB C 429 70.613 70.613 69.640 0.973 18297 8769 1 18 . 1 1 84 84 THR H H 429 7.899 7.899 8.380 -0.481 18297 8770 1 18 . 1 1 85 85 THR N N 430 116.438 116.438 116.484 -0.046 18297 8771 1 18 . 1 1 85 85 THR HA H 430 5.132 5.132 4.911 0.221 18297 8772 1 18 . 1 1 85 85 THR C C 430 173.160 173.160 172.425 0.735 18297 8773 1 18 . 1 1 85 85 THR CA C 430 57.863 57.863 59.051 -1.188 18297 8774 1 18 . 1 1 85 85 THR CB C 430 71.050 71.050 70.383 0.667 18297 8775 1 18 . 1 1 85 85 THR H H 430 7.810 7.810 8.519 -0.709 18297 8776 1 18 . 1 1 86 86 PRO HA H 431 4.582 4.582 4.511 0.071 18297 8777 1 18 . 1 1 86 86 PRO CA C 431 64.086 64.086 62.724 1.362 18297 8778 1 18 . 1 1 86 86 PRO CB C 431 31.995 31.995 31.849 0.146 18297 8779 1 18 . 1 1 87 87 GLN N N 432 117.241 117.241 119.353 -2.112 18297 8780 1 18 . 1 1 87 87 GLN HA H 432 4.618 4.618 4.424 0.194 18297 8781 1 18 . 1 1 87 87 GLN C C 432 175.653 175.653 175.325 0.328 18297 8782 1 18 . 1 1 87 87 GLN CA C 432 54.491 54.491 55.086 -0.595 18297 8783 1 18 . 1 1 87 87 GLN CB C 432 30.799 30.799 29.453 1.346 18297 8784 1 18 . 1 1 87 87 GLN H H 432 7.786 7.786 7.812 -0.026 18297 8785 1 18 . 1 1 88 88 THR N N 433 119.651 119.651 120.942 -1.291 18297 8786 1 18 . 1 1 88 88 THR HA H 433 4.440 4.440 5.052 -0.612 18297 8787 1 18 . 1 1 88 88 THR C C 433 173.939 173.939 173.879 0.060 18297 8788 1 18 . 1 1 88 88 THR CA C 433 63.792 63.792 61.925 1.867 18297 8789 1 18 . 1 1 88 88 THR CB C 433 70.357 70.357 69.599 0.758 18297 8790 1 18 . 1 1 88 88 THR H H 433 8.460 8.460 8.477 -0.017 18297 8791 1 18 . 1 1 89 89 VAL N N 434 128.068 128.068 126.344 1.724 18297 8792 1 18 . 1 1 89 89 VAL HA H 434 4.153 4.153 4.368 -0.215 18297 8793 1 18 . 1 1 89 89 VAL C C 434 174.083 174.083 174.580 -0.497 18297 8794 1 18 . 1 1 89 89 VAL CA C 434 61.827 61.827 60.525 1.302 18297 8795 1 18 . 1 1 89 89 VAL CB C 434 33.937 33.937 34.754 -0.817 18297 8796 1 18 . 1 1 89 89 VAL H H 434 9.275 9.275 7.983 1.292 18297 8797 1 18 . 1 1 90 90 LEU N N 435 125.755 125.755 124.739 1.016 18297 8798 1 18 . 1 1 90 90 LEU HA H 435 5.304 5.304 5.363 -0.059 18297 8799 1 18 . 1 1 90 90 LEU C C 435 176.455 176.455 176.006 0.449 18297 8800 1 18 . 1 1 90 90 LEU CA C 435 53.396 53.396 53.596 -0.200 18297 8801 1 18 . 1 1 90 90 LEU CB C 435 44.023 44.023 43.512 0.511 18297 8802 1 18 . 1 1 90 90 LEU H H 435 8.169 8.169 8.494 -0.325 18297 8803 1 18 . 1 1 91 91 PHE N N 436 120.743 120.743 123.080 -2.337 18297 8804 1 18 . 1 1 91 91 PHE HA H 436 5.314 5.314 5.565 -0.251 18297 8805 1 18 . 1 1 91 91 PHE C C 436 174.788 174.788 175.240 -0.452 18297 8806 1 18 . 1 1 91 91 PHE CA C 436 56.327 56.327 56.251 0.076 18297 8807 1 18 . 1 1 91 91 PHE CB C 436 43.330 43.330 42.984 0.346 18297 8808 1 18 . 1 1 91 91 PHE H H 436 9.222 9.222 9.308 -0.086 18297 8809 1 18 . 1 1 92 92 LYS N N 437 123.120 123.120 123.355 -0.235 18297 8810 1 18 . 1 1 92 92 LYS HA H 437 4.708 4.708 5.122 -0.414 18297 8811 1 18 . 1 1 92 92 LYS C C 437 174.606 174.606 174.969 -0.363 18297 8812 1 18 . 1 1 92 92 LYS CA C 437 55.139 55.139 55.441 -0.301 18297 8813 1 18 . 1 1 92 92 LYS CB C 437 34.269 34.269 34.678 -0.409 18297 8814 1 18 . 1 1 92 92 LYS H H 437 8.908 8.908 9.283 -0.374 18297 8815 1 18 . 1 1 93 93 LEU N N 438 128.422 128.422 126.651 1.771 18297 8816 1 18 . 1 1 93 93 LEU HA H 438 4.480 4.480 4.997 -0.517 18297 8817 1 18 . 1 1 93 93 LEU C C 438 175.327 175.327 174.799 0.528 18297 8818 1 18 . 1 1 93 93 LEU CA C 438 55.139 55.139 53.367 1.772 18297 8819 1 18 . 1 1 93 93 LEU CB C 438 43.976 43.976 43.520 0.456 18297 8820 1 18 . 1 1 93 93 LEU H H 438 8.755 8.755 8.393 0.362 18297 8821 1 18 . 1 1 94 94 HIS N N 439 123.859 123.859 126.003 -2.144 18297 8822 1 18 . 1 1 94 94 HIS HA H 439 5.180 5.180 5.089 0.091 18297 8823 1 18 . 1 1 94 94 HIS C C 439 174.297 174.297 174.043 0.254 18297 8824 1 18 . 1 1 94 94 HIS CA C 439 53.396 53.396 54.174 -0.778 18297 8825 1 18 . 1 1 94 94 HIS CB C 439 30.786 30.786 32.805 -2.019 18297 8826 1 18 . 1 1 94 94 HIS H H 439 8.891 8.891 9.240 -0.349 18297 8827 1 18 . 1 1 95 95 PHE N N 440 123.544 123.544 124.230 -0.686 18297 8828 1 18 . 1 1 95 95 PHE HA H 440 6.231 6.231 5.705 0.526 18297 8829 1 18 . 1 1 95 95 PHE C C 440 178.229 178.229 176.993 1.236 18297 8830 1 18 . 1 1 95 95 PHE CA C 440 53.690 53.690 56.851 -3.161 18297 8831 1 18 . 1 1 95 95 PHE CB C 440 39.477 39.477 40.277 -0.800 18297 8832 1 18 . 1 1 95 95 PHE H H 440 8.896 8.896 8.555 0.341 18297 8833 1 18 . 1 1 96 96 THR N N 441 114.382 114.382 117.695 -3.313 18297 8834 1 18 . 1 1 96 96 THR HA H 441 4.617 4.617 4.603 0.014 18297 8835 1 18 . 1 1 96 96 THR C C 441 173.867 173.867 174.329 -0.462 18297 8836 1 18 . 1 1 96 96 THR CA C 441 61.327 61.327 61.222 0.105 18297 8837 1 18 . 1 1 96 96 THR CB C 441 69.561 69.561 70.111 -0.550 18297 8838 1 18 . 1 1 96 96 THR H H 441 7.973 7.973 8.789 -0.816 18297 8839 1 19 . 1 1 2 2 SER HA H 347 4.570 4.570 4.702 -0.132 18297 8840 1 19 . 1 1 2 2 SER C C 347 174.335 174.335 174.490 -0.155 18297 8841 1 19 . 1 1 2 2 SER CA C 347 58.350 58.350 57.740 0.610 18297 8842 1 19 . 1 1 2 2 SER CB C 347 63.999 63.999 64.565 -0.566 18297 8843 1 19 . 1 1 3 3 GLN N N 348 122.478 122.478 121.780 0.698 18297 8844 1 19 . 1 1 3 3 GLN HA H 348 4.430 4.430 4.360 0.070 18297 8845 1 19 . 1 1 3 3 GLN C C 348 175.651 175.651 175.841 -0.190 18297 8846 1 19 . 1 1 3 3 GLN CA C 348 55.743 55.743 56.088 -0.345 18297 8847 1 19 . 1 1 3 3 GLN CB C 348 29.750 29.750 29.252 0.498 18297 8848 1 19 . 1 1 3 3 GLN H H 348 8.532 8.532 8.691 -0.159 18297 8849 1 19 . 1 1 4 4 LEU N N 349 125.369 125.369 118.875 6.494 18297 8850 1 19 . 1 1 4 4 LEU HA H 349 4.634 4.634 4.784 -0.150 18297 8851 1 19 . 1 1 4 4 LEU C C 349 175.324 175.324 174.581 0.743 18297 8852 1 19 . 1 1 4 4 LEU CA C 349 53.197 53.197 51.612 1.585 18297 8853 1 19 . 1 1 4 4 LEU CB C 349 41.867 41.867 40.535 1.332 18297 8854 1 19 . 1 1 4 4 LEU H H 349 8.403 8.403 7.561 0.842 18297 8855 1 19 . 1 1 5 5 PRO HA H 350 4.360 4.360 4.530 -0.170 18297 8856 1 19 . 1 1 5 5 PRO C C 350 176.639 176.639 176.121 0.518 18297 8857 1 19 . 1 1 5 5 PRO CA C 350 62.748 62.748 62.262 0.486 18297 8858 1 19 . 1 1 5 5 PRO CB C 350 32.319 32.319 32.553 -0.234 18297 8859 1 19 . 1 1 6 6 GLN N N 351 121.707 121.707 122.048 -0.341 18297 8860 1 19 . 1 1 6 6 GLN HA H 351 4.428 4.428 4.395 0.033 18297 8861 1 19 . 1 1 6 6 GLN C C 351 175.898 175.898 175.104 0.794 18297 8862 1 19 . 1 1 6 6 GLN CA C 351 55.678 55.678 54.311 1.367 18297 8863 1 19 . 1 1 6 6 GLN CB C 351 30.054 30.054 30.063 -0.009 18297 8864 1 19 . 1 1 6 6 GLN H H 351 8.255 8.255 8.656 -0.402 18297 8865 1 19 . 1 1 7 7 ASN N N 352 123.275 123.275 119.466 3.809 18297 8866 1 19 . 1 1 7 7 ASN HA H 352 5.470 5.470 5.587 -0.117 18297 8867 1 19 . 1 1 7 7 ASN C C 352 175.324 175.324 175.076 0.248 18297 8868 1 19 . 1 1 7 7 ASN CA C 352 54.009 54.009 52.376 1.633 18297 8869 1 19 . 1 1 7 7 ASN CB C 352 40.414 40.414 40.566 -0.152 18297 8870 1 19 . 1 1 7 7 ASN H H 352 8.860 8.860 8.530 0.330 18297 8871 1 19 . 1 1 8 8 ILE N N 353 119.104 119.104 115.057 4.047 18297 8872 1 19 . 1 1 8 8 ILE HA H 353 4.625 4.625 4.756 -0.131 18297 8873 1 19 . 1 1 8 8 ILE C C 353 173.669 173.669 173.780 -0.111 18297 8874 1 19 . 1 1 8 8 ILE CA C 353 60.201 60.201 59.534 0.667 18297 8875 1 19 . 1 1 8 8 ILE CB C 353 41.404 41.404 41.708 -0.304 18297 8876 1 19 . 1 1 8 8 ILE H H 353 8.808 8.808 8.746 0.062 18297 8877 1 19 . 1 1 9 9 GLN N N 354 122.671 122.671 121.824 0.847 18297 8878 1 19 . 1 1 9 9 GLN HA H 354 5.586 5.586 5.531 0.055 18297 8879 1 19 . 1 1 9 9 GLN C C 354 174.274 174.274 174.149 0.125 18297 8880 1 19 . 1 1 9 9 GLN CA C 354 54.491 54.491 53.889 0.602 18297 8881 1 19 . 1 1 9 9 GLN CB C 354 31.120 31.120 31.731 -0.611 18297 8882 1 19 . 1 1 9 9 GLN H H 354 8.021 8.021 8.076 -0.055 18297 8883 1 19 . 1 1 10 10 PHE N N 355 120.679 120.679 122.440 -1.761 18297 8884 1 19 . 1 1 10 10 PHE HA H 355 4.635 4.635 4.726 -0.091 18297 8885 1 19 . 1 1 10 10 PHE C C 355 174.715 174.715 174.769 -0.054 18297 8886 1 19 . 1 1 10 10 PHE CA C 355 57.226 57.226 56.413 0.813 18297 8887 1 19 . 1 1 10 10 PHE CB C 355 45.969 45.969 43.592 2.377 18297 8888 1 19 . 1 1 10 10 PHE H H 355 8.403 8.403 9.279 -0.876 18297 8889 1 19 . 1 1 11 11 SER N N 356 116.116 116.116 117.836 -1.720 18297 8890 1 19 . 1 1 11 11 SER HA H 356 5.020 5.020 5.132 -0.112 18297 8891 1 19 . 1 1 11 11 SER C C 356 174.917 174.917 174.236 0.681 18297 8892 1 19 . 1 1 11 11 SER CA C 356 56.110 56.110 56.751 -0.641 18297 8893 1 19 . 1 1 11 11 SER CB C 356 63.879 63.879 63.207 0.672 18297 8894 1 19 . 1 1 11 11 SER H H 356 8.757 8.757 8.700 0.057 18297 8895 1 19 . 1 1 12 12 PRO HA H 357 3.776 3.776 4.038 -0.262 18297 8896 1 19 . 1 1 12 12 PRO C C 357 176.155 176.155 177.608 -1.453 18297 8897 1 19 . 1 1 12 12 PRO CA C 357 64.886 64.886 65.383 -0.497 18297 8898 1 19 . 1 1 12 12 PRO CB C 357 31.222 31.222 31.657 -0.435 18297 8899 1 19 . 1 1 13 13 SER N N 358 107.859 107.859 111.357 -3.498 18297 8900 1 19 . 1 1 13 13 SER HA H 358 4.388 4.388 4.417 -0.029 18297 8901 1 19 . 1 1 13 13 SER C C 358 173.972 173.972 173.772 0.200 18297 8902 1 19 . 1 1 13 13 SER CA C 358 57.728 57.728 59.088 -1.360 18297 8903 1 19 . 1 1 13 13 SER CB C 358 63.879 63.879 62.600 1.279 18297 8904 1 19 . 1 1 13 13 SER H H 358 7.636 7.636 8.165 -0.529 18297 8905 1 19 . 1 1 14 14 ALA N N 359 126.012 126.012 124.279 1.733 18297 8906 1 19 . 1 1 14 14 ALA HA H 359 4.320 4.320 4.387 -0.067 18297 8907 1 19 . 1 1 14 14 ALA C C 359 177.288 177.288 176.006 1.282 18297 8908 1 19 . 1 1 14 14 ALA CA C 359 52.849 52.849 52.518 0.331 18297 8909 1 19 . 1 1 14 14 ALA CB C 359 19.372 19.372 19.893 -0.521 18297 8910 1 19 . 1 1 14 14 ALA H H 359 7.937 7.937 8.119 -0.182 18297 8911 1 19 . 1 1 15 15 LYS N N 360 119.699 119.699 120.990 -1.291 18297 8912 1 19 . 1 1 15 15 LYS HA H 360 4.751 4.751 4.689 0.062 18297 8913 1 19 . 1 1 15 15 LYS C C 360 179.638 179.638 177.400 2.238 18297 8914 1 19 . 1 1 15 15 LYS CA C 360 54.815 54.815 55.099 -0.284 18297 8915 1 19 . 1 1 15 15 LYS CB C 360 33.127 33.127 33.700 -0.573 18297 8916 1 19 . 1 1 15 15 LYS H H 360 8.523 8.523 8.196 0.327 18297 8917 1 19 . 1 1 16 16 LEU N N 361 123.297 123.297 123.034 0.263 18297 8918 1 19 . 1 1 16 16 LEU HA H 361 3.828 3.828 3.962 -0.134 18297 8919 1 19 . 1 1 16 16 LEU C C 361 178.714 178.714 178.010 0.704 18297 8920 1 19 . 1 1 16 16 LEU CA C 361 58.321 58.321 58.065 0.256 18297 8921 1 19 . 1 1 16 16 LEU CB C 361 40.240 40.240 41.940 -1.700 18297 8922 1 19 . 1 1 16 16 LEU H H 361 8.383 8.383 8.069 0.314 18297 8923 1 19 . 1 1 17 17 GLN N N 362 117.900 117.900 117.194 0.706 18297 8924 1 19 . 1 1 17 17 GLN HA H 362 3.621 3.621 4.012 -0.391 18297 8925 1 19 . 1 1 17 17 GLN C C 362 176.370 176.370 177.818 -1.448 18297 8926 1 19 . 1 1 17 17 GLN CA C 362 58.547 58.547 58.869 -0.322 18297 8927 1 19 . 1 1 17 17 GLN CB C 362 29.442 29.442 27.868 1.574 18297 8928 1 19 . 1 1 17 17 GLN H H 362 8.766 8.766 7.867 0.899 18297 8929 1 19 . 1 1 18 18 GLU N N 363 116.341 116.341 119.586 -3.245 18297 8930 1 19 . 1 1 18 18 GLU HA H 363 4.201 4.201 4.346 -0.145 18297 8931 1 19 . 1 1 18 18 GLU C C 363 180.135 180.135 179.154 0.981 18297 8932 1 19 . 1 1 18 18 GLU CA C 363 59.669 59.669 58.905 0.764 18297 8933 1 19 . 1 1 18 18 GLU CB C 363 29.870 29.870 28.768 1.102 18297 8934 1 19 . 1 1 18 18 GLU H H 363 7.783 7.783 7.775 0.008 18297 8935 1 19 . 1 1 19 19 VAL N N 364 120.647 120.647 118.837 1.810 18297 8936 1 19 . 1 1 19 19 VAL HA H 364 3.421 3.421 3.764 -0.343 18297 8937 1 19 . 1 1 19 19 VAL C C 364 177.380 177.380 178.118 -0.738 18297 8938 1 19 . 1 1 19 19 VAL CA C 364 65.433 65.433 65.707 -0.273 18297 8939 1 19 . 1 1 19 19 VAL CB C 364 30.964 30.964 31.206 -0.242 18297 8940 1 19 . 1 1 19 19 VAL H H 364 7.224 7.224 7.209 0.015 18297 8941 1 19 . 1 1 20 20 LEU N N 365 120.743 120.743 119.888 0.855 18297 8942 1 19 . 1 1 20 20 LEU HA H 365 3.916 3.916 3.910 0.006 18297 8943 1 19 . 1 1 20 20 LEU C C 365 178.974 178.974 178.555 0.419 18297 8944 1 19 . 1 1 20 20 LEU CA C 365 58.612 58.612 57.869 0.743 18297 8945 1 19 . 1 1 20 20 LEU CB C 365 41.425 41.425 41.095 0.330 18297 8946 1 19 . 1 1 20 20 LEU H H 365 7.517 7.517 7.446 0.071 18297 8947 1 19 . 1 1 21 21 ASP N N 366 119.329 119.329 118.988 0.341 18297 8948 1 19 . 1 1 21 21 ASP HA H 366 4.306 4.306 4.306 0.000 18297 8949 1 19 . 1 1 21 21 ASP C C 366 177.992 177.992 177.933 0.059 18297 8950 1 19 . 1 1 21 21 ASP CA C 366 57.405 57.405 57.520 -0.115 18297 8951 1 19 . 1 1 21 21 ASP CB C 366 40.265 40.265 41.045 -0.780 18297 8952 1 19 . 1 1 21 21 ASP H H 366 8.805 8.805 7.782 1.023 18297 8953 1 19 . 1 1 22 22 TYR N N 367 121.643 121.643 119.745 1.898 18297 8954 1 19 . 1 1 22 22 TYR HA H 367 4.305 4.305 4.258 0.047 18297 8955 1 19 . 1 1 22 22 TYR C C 367 177.701 177.701 177.348 0.353 18297 8956 1 19 . 1 1 22 22 TYR CA C 367 61.777 61.777 60.331 1.446 18297 8957 1 19 . 1 1 22 22 TYR CB C 367 38.801 38.801 39.130 -0.329 18297 8958 1 19 . 1 1 22 22 TYR H H 367 7.718 7.718 8.042 -0.324 18297 8959 1 19 . 1 1 23 23 LEU N N 368 118.414 118.414 118.983 -0.569 18297 8960 1 19 . 1 1 23 23 LEU HA H 368 3.910 3.910 4.016 -0.106 18297 8961 1 19 . 1 1 23 23 LEU C C 368 178.019 178.019 177.786 0.233 18297 8962 1 19 . 1 1 23 23 LEU CA C 368 57.773 57.773 57.548 0.225 18297 8963 1 19 . 1 1 23 23 LEU CB C 368 42.032 42.032 41.776 0.256 18297 8964 1 19 . 1 1 23 23 LEU H H 368 8.060 8.060 7.813 0.247 18297 8965 1 19 . 1 1 24 24 THR N N 369 106.606 106.606 109.593 -2.987 18297 8966 1 19 . 1 1 24 24 THR HA H 369 4.507 4.507 4.312 0.195 18297 8967 1 19 . 1 1 24 24 THR C C 369 176.576 176.576 173.678 2.898 18297 8968 1 19 . 1 1 24 24 THR CA C 369 63.245 63.245 62.925 0.320 18297 8969 1 19 . 1 1 24 24 THR CB C 369 70.517 70.517 69.906 0.611 18297 8970 1 19 . 1 1 24 24 THR H H 369 8.017 8.017 7.641 0.376 18297 8971 1 19 . 1 1 25 25 ASN N N 370 118.847 118.847 119.569 -0.722 18297 8972 1 19 . 1 1 25 25 ASN HA H 370 4.846 4.846 4.830 0.016 18297 8973 1 19 . 1 1 25 25 ASN C C 370 176.455 176.455 174.307 2.148 18297 8974 1 19 . 1 1 25 25 ASN CA C 370 53.944 53.944 52.238 1.706 18297 8975 1 19 . 1 1 25 25 ASN CB C 370 39.718 39.718 40.331 -0.613 18297 8976 1 19 . 1 1 25 25 ASN H H 370 8.149 8.149 8.284 -0.135 18297 8977 1 19 . 1 1 26 26 SER N N 371 116.888 116.888 117.351 -0.463 18297 8978 1 19 . 1 1 26 26 SER HA H 371 4.375 4.375 4.373 0.002 18297 8979 1 19 . 1 1 26 26 SER C C 371 176.257 176.257 175.093 1.164 18297 8980 1 19 . 1 1 26 26 SER CA C 371 59.603 59.603 61.001 -1.398 18297 8981 1 19 . 1 1 26 26 SER CB C 371 63.792 63.792 63.639 0.153 18297 8982 1 19 . 1 1 26 26 SER H H 371 7.889 7.889 8.577 -0.688 18297 8983 1 19 . 1 1 27 27 ALA N N 372 128.743 128.743 121.846 6.897 18297 8984 1 19 . 1 1 27 27 ALA HA H 372 4.228 4.228 4.547 -0.319 18297 8985 1 19 . 1 1 27 27 ALA C C 372 178.538 178.538 179.987 -1.449 18297 8986 1 19 . 1 1 27 27 ALA CA C 372 54.491 54.491 54.169 0.322 18297 8987 1 19 . 1 1 27 27 ALA CB C 372 18.772 18.772 19.025 -0.253 18297 8988 1 19 . 1 1 27 27 ALA H H 372 8.836 8.836 7.998 0.838 18297 8989 1 19 . 1 1 28 28 SER N N 373 110.751 110.751 115.136 -4.385 18297 8990 1 19 . 1 1 28 28 SER HA H 373 4.426 4.426 4.292 0.134 18297 8991 1 19 . 1 1 28 28 SER C C 373 174.548 174.548 175.065 -0.517 18297 8992 1 19 . 1 1 28 28 SER CA C 373 59.415 59.415 61.171 -1.756 18297 8993 1 19 . 1 1 28 28 SER CB C 373 63.394 63.394 63.645 -0.251 18297 8994 1 19 . 1 1 28 28 SER H H 373 8.069 8.069 8.585 -0.516 18297 8995 1 19 . 1 1 29 29 LEU N N 374 122.012 122.012 120.100 1.912 18297 8996 1 19 . 1 1 29 29 LEU HA H 374 4.465 4.465 4.522 -0.057 18297 8997 1 19 . 1 1 29 29 LEU C C 374 175.716 175.716 177.167 -1.451 18297 8998 1 19 . 1 1 29 29 LEU CA C 374 56.132 56.132 53.481 2.651 18297 8999 1 19 . 1 1 29 29 LEU CB C 374 44.295 44.295 42.055 2.240 18297 9000 1 19 . 1 1 29 29 LEU H H 374 7.547 7.547 7.627 -0.080 18297 9001 1 19 . 1 1 30 30 GLN N N 375 116.052 116.052 119.099 -3.047 18297 9002 1 19 . 1 1 30 30 GLN HA H 375 4.003 4.003 4.090 -0.087 18297 9003 1 19 . 1 1 30 30 GLN C C 375 175.498 175.498 176.447 -0.949 18297 9004 1 19 . 1 1 30 30 GLN CA C 375 56.434 56.434 58.452 -2.018 18297 9005 1 19 . 1 1 30 30 GLN CB C 375 27.948 27.948 28.362 -0.414 18297 9006 1 19 . 1 1 30 30 GLN H H 375 8.060 8.060 7.576 0.484 18297 9007 1 19 . 1 1 31 31 MET N N 376 117.691 117.691 112.016 5.675 18297 9008 1 19 . 1 1 31 31 MET HA H 376 4.283 4.283 4.781 -0.498 18297 9009 1 19 . 1 1 31 31 MET C C 376 175.843 175.843 176.399 -0.556 18297 9010 1 19 . 1 1 31 31 MET CA C 376 57.728 57.728 55.614 2.114 18297 9011 1 19 . 1 1 31 31 MET CB C 376 33.451 33.451 33.110 0.341 18297 9012 1 19 . 1 1 31 31 MET H H 376 8.211 8.211 8.127 0.084 18297 9013 1 19 . 1 1 32 32 LYS N N 377 122.028 122.028 120.120 1.908 18297 9014 1 19 . 1 1 32 32 LYS HA H 377 4.414 4.414 4.370 0.044 18297 9015 1 19 . 1 1 32 32 LYS C C 377 177.837 177.837 176.440 1.397 18297 9016 1 19 . 1 1 32 32 LYS CA C 377 58.052 58.052 56.651 1.401 18297 9017 1 19 . 1 1 32 32 LYS CB C 377 34.994 34.994 32.074 2.920 18297 9018 1 19 . 1 1 32 32 LYS H H 377 9.461 9.461 8.141 1.320 18297 9019 1 19 . 1 1 33 33 SER N N 378 115.056 115.056 116.138 -1.082 18297 9020 1 19 . 1 1 33 33 SER HA H 378 4.650 4.650 4.381 0.269 18297 9021 1 19 . 1 1 33 33 SER C C 378 172.026 172.026 172.973 -0.947 18297 9022 1 19 . 1 1 33 33 SER CA C 378 55.038 55.038 56.616 -1.578 18297 9023 1 19 . 1 1 33 33 SER CB C 378 62.908 62.908 62.721 0.188 18297 9024 1 19 . 1 1 33 33 SER H H 378 10.101 10.101 7.421 2.680 18297 9025 1 19 . 1 1 34 34 PRO HA H 379 5.043 5.043 4.366 0.677 18297 9026 1 19 . 1 1 34 34 PRO C C 379 175.422 175.422 175.239 0.183 18297 9027 1 19 . 1 1 34 34 PRO CA C 379 63.792 63.792 62.712 1.079 18297 9028 1 19 . 1 1 34 34 PRO CB C 379 33.703 33.703 32.609 1.094 18297 9029 1 19 . 1 1 35 35 ALA N N 380 121.498 121.498 123.121 -1.623 18297 9030 1 19 . 1 1 35 35 ALA HA H 380 5.137 5.137 4.950 0.187 18297 9031 1 19 . 1 1 35 35 ALA C C 380 177.313 177.313 175.713 1.600 18297 9032 1 19 . 1 1 35 35 ALA CA C 380 50.661 50.661 50.762 -0.101 18297 9033 1 19 . 1 1 35 35 ALA CB C 380 22.118 22.118 22.119 -0.001 18297 9034 1 19 . 1 1 35 35 ALA H H 380 8.894 8.894 8.879 0.015 18297 9035 1 19 . 1 1 36 36 ILE N N 381 120.470 120.470 124.991 -4.521 18297 9036 1 19 . 1 1 36 36 ILE HA H 381 4.967 4.967 4.832 0.135 18297 9037 1 19 . 1 1 36 36 ILE C C 381 175.314 175.314 175.462 -0.148 18297 9038 1 19 . 1 1 36 36 ILE CA C 381 61.056 61.056 60.224 0.832 18297 9039 1 19 . 1 1 36 36 ILE CB C 381 41.364 41.364 39.747 1.617 18297 9040 1 19 . 1 1 36 36 ILE H H 381 9.038 9.038 8.874 0.164 18297 9041 1 19 . 1 1 37 37 THR N N 382 123.297 123.297 123.365 -0.068 18297 9042 1 19 . 1 1 37 37 THR HA H 382 5.252 5.252 4.865 0.387 18297 9043 1 19 . 1 1 37 37 THR C C 382 172.289 172.289 172.705 -0.416 18297 9044 1 19 . 1 1 37 37 THR CA C 382 60.977 60.977 61.116 -0.139 18297 9045 1 19 . 1 1 37 37 THR CB C 382 71.919 71.919 71.283 0.636 18297 9046 1 19 . 1 1 37 37 THR H H 382 9.363 9.363 9.048 0.315 18297 9047 1 19 . 1 1 38 38 ALA N N 383 123.340 123.340 127.608 -4.268 18297 9048 1 19 . 1 1 38 38 ALA HA H 383 4.935 4.935 4.878 0.057 18297 9049 1 19 . 1 1 38 38 ALA C C 383 175.743 175.743 175.071 0.672 18297 9050 1 19 . 1 1 38 38 ALA CA C 383 51.147 51.147 50.671 0.476 18297 9051 1 19 . 1 1 38 38 ALA CB C 383 22.758 22.758 22.558 0.200 18297 9052 1 19 . 1 1 38 38 ALA H H 383 8.896 8.896 8.380 0.516 18297 9053 1 19 . 1 1 39 39 THR N N 384 118.815 118.815 117.544 1.271 18297 9054 1 19 . 1 1 39 39 THR HA H 384 4.892 4.892 5.030 -0.138 18297 9055 1 19 . 1 1 39 39 THR C C 384 174.098 174.098 173.631 0.467 18297 9056 1 19 . 1 1 39 39 THR CA C 384 62.310 62.310 62.075 0.235 18297 9057 1 19 . 1 1 39 39 THR CB C 384 69.263 69.263 70.055 -0.792 18297 9058 1 19 . 1 1 39 39 THR H H 384 8.968 8.968 8.605 0.363 18297 9059 1 19 . 1 1 40 40 LEU N N 385 128.711 128.711 127.832 0.879 18297 9060 1 19 . 1 1 40 40 LEU HA H 385 4.791 4.791 4.661 0.130 18297 9061 1 19 . 1 1 40 40 LEU C C 385 176.479 176.479 175.894 0.585 18297 9062 1 19 . 1 1 40 40 LEU CA C 385 53.944 53.944 53.573 0.371 18297 9063 1 19 . 1 1 40 40 LEU CB C 385 44.966 44.966 43.866 1.100 18297 9064 1 19 . 1 1 40 40 LEU H H 385 8.667 8.667 9.211 -0.544 18297 9065 1 19 . 1 1 41 41 GLU N N 386 124.470 124.470 127.280 -2.810 18297 9066 1 19 . 1 1 41 41 GLU HA H 386 3.936 3.936 3.909 0.027 18297 9067 1 19 . 1 1 41 41 GLU C C 386 176.878 176.878 176.247 0.631 18297 9068 1 19 . 1 1 41 41 GLU CA C 386 57.226 57.226 56.569 0.657 18297 9069 1 19 . 1 1 41 41 GLU CB C 386 27.735 27.735 29.062 -1.327 18297 9070 1 19 . 1 1 41 41 GLU H H 386 9.547 9.547 9.390 0.157 18297 9071 1 19 . 1 1 42 42 GLY N N 387 104.068 104.068 104.181 -0.113 18297 9072 1 19 . 1 1 42 42 GLY C C 387 173.993 173.993 173.730 0.263 18297 9073 1 19 . 1 1 42 42 GLY CA C 387 45.596 45.596 44.840 0.756 18297 9074 1 19 . 1 1 42 42 GLY H H 387 8.578 8.578 8.271 0.307 18297 9075 1 19 . 1 1 43 43 LYS N N 388 120.422 120.422 121.596 -1.174 18297 9076 1 19 . 1 1 43 43 LYS HA H 388 4.701 4.701 4.507 0.194 18297 9077 1 19 . 1 1 43 43 LYS C C 388 175.054 175.054 175.016 0.038 18297 9078 1 19 . 1 1 43 43 LYS CA C 388 54.491 54.491 55.209 -0.718 18297 9079 1 19 . 1 1 43 43 LYS CB C 388 34.968 34.968 34.396 0.572 18297 9080 1 19 . 1 1 43 43 LYS H H 388 7.826 7.826 7.689 0.137 18297 9081 1 19 . 1 1 44 44 ASN N N 389 122.606 122.606 122.428 0.178 18297 9082 1 19 . 1 1 44 44 ASN HA H 389 4.895 4.895 4.927 -0.032 18297 9083 1 19 . 1 1 44 44 ASN C C 389 174.905 174.905 174.940 -0.035 18297 9084 1 19 . 1 1 44 44 ASN CA C 389 53.944 53.944 53.167 0.777 18297 9085 1 19 . 1 1 44 44 ASN CB C 389 39.229 39.229 39.158 0.071 18297 9086 1 19 . 1 1 44 44 ASN H H 389 8.827 8.827 8.767 0.060 18297 9087 1 19 . 1 1 45 45 ARG N N 390 125.867 125.867 127.690 -1.823 18297 9088 1 19 . 1 1 45 45 ARG HA H 390 4.756 4.756 4.648 0.108 18297 9089 1 19 . 1 1 45 45 ARG C C 390 175.224 175.224 175.518 -0.294 18297 9090 1 19 . 1 1 45 45 ARG CA C 390 54.491 54.491 54.169 0.322 18297 9091 1 19 . 1 1 45 45 ARG CB C 390 32.973 32.973 31.832 1.141 18297 9092 1 19 . 1 1 45 45 ARG H H 390 9.220 9.220 9.063 0.157 18297 9093 1 19 . 1 1 46 46 THR N N 391 122.574 122.574 122.323 0.251 18297 9094 1 19 . 1 1 46 46 THR HA H 391 4.289 4.289 4.345 -0.056 18297 9095 1 19 . 1 1 46 46 THR C C 391 174.010 174.010 173.894 0.116 18297 9096 1 19 . 1 1 46 46 THR CA C 391 63.509 63.509 63.908 -0.399 18297 9097 1 19 . 1 1 46 46 THR CB C 391 68.716 68.716 68.861 -0.145 18297 9098 1 19 . 1 1 46 46 THR H H 391 8.940 8.940 8.665 0.275 18297 9099 1 19 . 1 1 47 47 LEU N N 392 128.647 128.647 126.232 2.415 18297 9100 1 19 . 1 1 47 47 LEU HA H 392 4.339 4.339 4.560 -0.221 18297 9101 1 19 . 1 1 47 47 LEU C C 392 176.670 176.670 176.781 -0.111 18297 9102 1 19 . 1 1 47 47 LEU CA C 392 56.132 56.132 55.236 0.896 18297 9103 1 19 . 1 1 47 47 LEU CB C 392 42.678 42.678 43.634 -0.956 18297 9104 1 19 . 1 1 47 47 LEU H H 392 9.096 9.096 8.148 0.948 18297 9105 1 19 . 1 1 48 48 TYR N N 393 113.514 113.514 119.769 -6.255 18297 9106 1 19 . 1 1 48 48 TYR HA H 393 4.618 4.618 4.624 -0.006 18297 9107 1 19 . 1 1 48 48 TYR C C 393 173.455 173.455 173.382 0.073 18297 9108 1 19 . 1 1 48 48 TYR CA C 393 59.415 59.415 57.539 1.876 18297 9109 1 19 . 1 1 48 48 TYR CB C 393 41.384 41.384 40.643 0.741 18297 9110 1 19 . 1 1 48 48 TYR H H 393 7.562 7.562 7.659 -0.097 18297 9111 1 19 . 1 1 57 57 GLU N N 402 128.181 128.181 119.949 8.232 18297 9112 1 19 . 1 1 57 57 GLU H H 402 8.645 8.645 8.264 0.381 18297 9113 1 19 . 1 1 58 58 ARG N N 403 117.080 117.080 117.371 -0.291 18297 9114 1 19 . 1 1 58 58 ARG HA H 403 4.302 4.302 4.555 -0.253 18297 9115 1 19 . 1 1 58 58 ARG CA C 403 58.321 58.321 54.672 3.649 18297 9116 1 19 . 1 1 58 58 ARG CB C 403 31.165 31.165 31.456 -0.291 18297 9117 1 19 . 1 1 58 58 ARG H H 403 8.278 8.278 7.876 0.402 18297 9118 1 19 . 1 1 59 59 THR N N 404 108.390 108.390 114.209 -5.819 18297 9119 1 19 . 1 1 59 59 THR HA H 404 4.932 4.932 4.393 0.539 18297 9120 1 19 . 1 1 59 59 THR H H 404 8.301 8.301 8.558 -0.257 18297 9121 1 19 . 1 1 60 60 ARG N N 405 126.639 126.639 118.299 8.340 18297 9122 1 19 . 1 1 60 60 ARG H H 405 8.549 8.549 7.790 0.759 18297 9123 1 19 . 1 1 61 61 PRO HA H 406 4.431 4.431 4.458 -0.027 18297 9124 1 19 . 1 1 61 61 PRO C C 406 178.434 178.434 177.805 0.629 18297 9125 1 19 . 1 1 61 61 PRO CA C 406 65.980 65.980 64.241 1.739 18297 9126 1 19 . 1 1 61 61 PRO CB C 406 31.348 31.348 32.154 -0.806 18297 9127 1 19 . 1 1 62 62 ASN N N 407 114.574 114.574 118.351 -3.777 18297 9128 1 19 . 1 1 62 62 ASN HA H 407 4.390 4.390 4.458 -0.068 18297 9129 1 19 . 1 1 62 62 ASN C C 407 177.863 177.863 177.062 0.801 18297 9130 1 19 . 1 1 62 62 ASN CA C 407 55.308 55.308 55.414 -0.106 18297 9131 1 19 . 1 1 62 62 ASN CB C 407 37.530 37.530 36.456 1.074 18297 9132 1 19 . 1 1 62 62 ASN H H 407 8.481 8.481 8.877 -0.396 18297 9133 1 19 . 1 1 63 63 LEU N N 408 115.667 115.667 119.113 -3.446 18297 9134 1 19 . 1 1 63 63 LEU HA H 408 3.861 3.861 4.281 -0.420 18297 9135 1 19 . 1 1 63 63 LEU C C 408 177.708 177.708 178.390 -0.682 18297 9136 1 19 . 1 1 63 63 LEU CA C 408 57.667 57.667 56.966 0.701 18297 9137 1 19 . 1 1 63 63 LEU CB C 408 41.706 41.706 41.573 0.133 18297 9138 1 19 . 1 1 63 63 LEU H H 408 8.022 8.022 8.178 -0.156 18297 9139 1 19 . 1 1 64 64 SER N N 409 109.209 109.209 113.117 -3.908 18297 9140 1 19 . 1 1 64 64 SER HA H 409 4.588 4.588 4.438 0.150 18297 9141 1 19 . 1 1 64 64 SER C C 409 173.870 173.870 174.452 -0.582 18297 9142 1 19 . 1 1 64 64 SER CA C 409 58.321 58.321 59.156 -0.835 18297 9143 1 19 . 1 1 64 64 SER CB C 409 63.855 63.855 63.512 0.343 18297 9144 1 19 . 1 1 64 64 SER H H 409 7.232 7.232 7.731 -0.499 18297 9145 1 19 . 1 1 65 65 LYS N N 410 122.735 122.735 120.719 2.016 18297 9146 1 19 . 1 1 65 65 LYS HA H 410 4.609 4.609 4.383 0.226 18297 9147 1 19 . 1 1 65 65 LYS C C 410 175.946 175.946 176.059 -0.113 18297 9148 1 19 . 1 1 65 65 LYS CA C 410 55.463 55.463 55.504 -0.041 18297 9149 1 19 . 1 1 65 65 LYS CB C 410 34.422 34.422 33.490 0.932 18297 9150 1 19 . 1 1 65 65 LYS H H 410 7.543 7.543 7.195 0.348 18297 9151 1 19 . 1 1 66 66 THR N N 411 110.944 110.944 111.819 -0.875 18297 9152 1 19 . 1 1 66 66 THR HA H 411 5.003 5.003 4.748 0.255 18297 9153 1 19 . 1 1 66 66 THR C C 411 176.038 176.038 176.394 -0.356 18297 9154 1 19 . 1 1 66 66 THR CA C 411 60.221 60.221 60.556 -0.335 18297 9155 1 19 . 1 1 66 66 THR CB C 411 70.956 70.956 70.735 0.221 18297 9156 1 19 . 1 1 66 66 THR H H 411 8.980 8.980 8.186 0.794 18297 9157 1 19 . 1 1 67 67 LEU N N 412 118.076 118.076 121.100 -3.024 18297 9158 1 19 . 1 1 67 67 LEU HA H 412 3.961 3.961 4.012 -0.051 18297 9159 1 19 . 1 1 67 67 LEU C C 412 179.227 179.227 178.791 0.436 18297 9160 1 19 . 1 1 67 67 LEU CA C 412 58.321 58.321 58.573 -0.252 18297 9161 1 19 . 1 1 67 67 LEU CB C 412 39.914 39.914 41.396 -1.482 18297 9162 1 19 . 1 1 67 67 LEU H H 412 8.434 8.434 9.027 -0.593 18297 9163 1 19 . 1 1 68 68 LYS N N 413 116.373 116.373 120.496 -4.123 18297 9164 1 19 . 1 1 68 68 LYS HA H 413 4.285 4.285 3.924 0.361 18297 9165 1 19 . 1 1 68 68 LYS C C 413 181.338 181.338 179.647 1.691 18297 9166 1 19 . 1 1 68 68 LYS CA C 413 58.868 58.868 59.405 -0.537 18297 9167 1 19 . 1 1 68 68 LYS CB C 413 32.606 32.606 32.124 0.482 18297 9168 1 19 . 1 1 68 68 LYS H H 413 8.171 8.171 7.696 0.475 18297 9169 1 19 . 1 1 69 69 GLU N N 414 123.731 123.731 120.171 3.560 18297 9170 1 19 . 1 1 69 69 GLU HA H 414 4.072 4.072 4.114 -0.042 18297 9171 1 19 . 1 1 69 69 GLU C C 414 179.202 179.202 178.963 0.239 18297 9172 1 19 . 1 1 69 69 GLU CA C 414 58.868 58.868 58.876 -0.008 18297 9173 1 19 . 1 1 69 69 GLU CB C 414 29.566 29.566 29.254 0.312 18297 9174 1 19 . 1 1 69 69 GLU H H 414 8.326 8.326 8.076 0.250 18297 9175 1 19 . 1 1 70 70 LEU N N 415 119.008 119.008 117.594 1.414 18297 9176 1 19 . 1 1 70 70 LEU HA H 415 4.218 4.218 4.180 0.038 18297 9177 1 19 . 1 1 70 70 LEU C C 415 176.505 176.505 177.548 -1.043 18297 9178 1 19 . 1 1 70 70 LEU CA C 415 55.822 55.822 55.501 0.321 18297 9179 1 19 . 1 1 70 70 LEU CB C 415 43.012 43.012 41.997 1.015 18297 9180 1 19 . 1 1 70 70 LEU H H 415 7.993 7.993 7.894 0.099 18297 9181 1 19 . 1 1 71 71 GLY N N 416 105.578 105.578 106.561 -0.983 18297 9182 1 19 . 1 1 71 71 GLY C C 416 174.505 174.505 174.515 -0.010 18297 9183 1 19 . 1 1 71 71 GLY CA C 416 45.191 45.191 45.076 0.115 18297 9184 1 19 . 1 1 71 71 GLY H H 416 7.880 7.880 7.641 0.239 18297 9185 1 19 . 1 1 72 72 LEU N N 417 119.201 119.201 120.744 -1.543 18297 9186 1 19 . 1 1 72 72 LEU HA H 417 4.599 4.599 4.582 0.017 18297 9187 1 19 . 1 1 72 72 LEU C C 417 176.208 176.208 176.362 -0.154 18297 9188 1 19 . 1 1 72 72 LEU CA C 417 54.815 54.815 54.347 0.468 18297 9189 1 19 . 1 1 72 72 LEU CB C 417 41.867 41.867 43.212 -1.345 18297 9190 1 19 . 1 1 72 72 LEU H H 417 7.466 7.466 7.813 -0.347 18297 9191 1 19 . 1 1 73 73 VAL N N 418 112.871 112.871 116.863 -3.992 18297 9192 1 19 . 1 1 73 73 VAL HA H 418 4.782 4.782 4.651 0.131 18297 9193 1 19 . 1 1 73 73 VAL C C 418 174.804 174.804 174.848 -0.044 18297 9194 1 19 . 1 1 73 73 VAL CA C 418 59.070 59.070 59.165 -0.095 18297 9195 1 19 . 1 1 73 73 VAL CB C 418 35.557 35.557 35.100 0.457 18297 9196 1 19 . 1 1 73 73 VAL H H 418 8.003 8.003 8.116 -0.113 18297 9197 1 19 . 1 1 74 74 ASP N N 419 119.972 119.972 119.536 0.436 18297 9198 1 19 . 1 1 74 74 ASP HA H 419 3.593 3.593 4.660 -1.067 18297 9199 1 19 . 1 1 74 74 ASP C C 419 177.545 177.545 177.102 0.443 18297 9200 1 19 . 1 1 74 74 ASP CA C 419 56.419 56.419 55.063 1.356 18297 9201 1 19 . 1 1 74 74 ASP CB C 419 42.035 42.035 40.853 1.182 18297 9202 1 19 . 1 1 74 74 ASP H H 419 8.250 8.250 8.553 -0.303 18297 9203 1 19 . 1 1 75 75 GLY N N 420 116.020 116.020 112.736 3.284 18297 9204 1 19 . 1 1 75 75 GLY C C 420 173.763 173.763 173.937 -0.174 18297 9205 1 19 . 1 1 75 75 GLY CA C 420 45.354 45.354 44.733 0.621 18297 9206 1 19 . 1 1 75 75 GLY H H 420 8.704 8.704 8.691 0.013 18297 9207 1 19 . 1 1 76 76 GLN N N 421 121.514 121.514 121.198 0.316 18297 9208 1 19 . 1 1 76 76 GLN HA H 421 4.048 4.048 4.219 -0.171 18297 9209 1 19 . 1 1 76 76 GLN C C 421 175.023 175.023 175.174 -0.151 18297 9210 1 19 . 1 1 76 76 GLN CA C 421 56.709 56.709 55.766 0.943 18297 9211 1 19 . 1 1 76 76 GLN CB C 421 29.511 29.511 29.760 -0.249 18297 9212 1 19 . 1 1 76 76 GLN H H 421 7.867 7.867 7.479 0.388 18297 9213 1 19 . 1 1 77 77 GLU N N 422 123.859 123.859 124.855 -0.996 18297 9214 1 19 . 1 1 77 77 GLU HA H 422 5.186 5.186 5.177 0.009 18297 9215 1 19 . 1 1 77 77 GLU C C 422 176.877 176.877 176.096 0.781 18297 9216 1 19 . 1 1 77 77 GLU CA C 422 55.786 55.786 55.494 0.292 18297 9217 1 19 . 1 1 77 77 GLU CB C 422 31.509 31.509 30.957 0.551 18297 9218 1 19 . 1 1 77 77 GLU H H 422 8.568 8.568 8.500 0.068 18297 9219 1 19 . 1 1 78 78 LEU N N 423 125.867 125.867 125.185 0.682 18297 9220 1 19 . 1 1 78 78 LEU HA H 423 5.080 5.080 4.617 0.463 18297 9221 1 19 . 1 1 78 78 LEU C C 423 174.470 174.470 175.239 -0.769 18297 9222 1 19 . 1 1 78 78 LEU CA C 423 53.686 53.686 53.543 0.143 18297 9223 1 19 . 1 1 78 78 LEU CB C 423 44.966 44.966 44.938 0.028 18297 9224 1 19 . 1 1 78 78 LEU H H 423 9.313 9.313 9.204 0.108 18297 9225 1 19 . 1 1 79 79 ALA N N 424 126.044 126.044 126.323 -0.279 18297 9226 1 19 . 1 1 79 79 ALA HA H 424 5.206 5.206 5.059 0.147 18297 9227 1 19 . 1 1 79 79 ALA C C 424 176.786 176.786 175.260 1.526 18297 9228 1 19 . 1 1 79 79 ALA CA C 424 51.049 51.049 50.578 0.471 18297 9229 1 19 . 1 1 79 79 ALA CB C 424 20.453 20.453 20.679 -0.226 18297 9230 1 19 . 1 1 79 79 ALA H H 424 8.918 8.918 8.681 0.237 18297 9231 1 19 . 1 1 80 80 VAL N N 425 124.759 124.759 125.563 -0.804 18297 9232 1 19 . 1 1 80 80 VAL HA H 425 5.344 5.344 5.214 0.130 18297 9233 1 19 . 1 1 80 80 VAL C C 425 173.757 173.757 173.585 0.172 18297 9234 1 19 . 1 1 80 80 VAL CA C 425 60.886 60.886 59.963 0.923 18297 9235 1 19 . 1 1 80 80 VAL CB C 425 34.908 34.908 36.272 -1.364 18297 9236 1 19 . 1 1 80 80 VAL H H 425 9.357 9.357 8.660 0.697 18297 9237 1 19 . 1 1 81 81 ALA N N 426 129.353 129.353 130.376 -1.023 18297 9238 1 19 . 1 1 81 81 ALA HA H 426 5.045 5.045 4.963 0.082 18297 9239 1 19 . 1 1 81 81 ALA C C 426 175.938 175.938 175.093 0.845 18297 9240 1 19 . 1 1 81 81 ALA CA C 426 50.133 50.133 49.659 0.474 18297 9241 1 19 . 1 1 81 81 ALA CB C 426 22.758 22.758 22.595 0.163 18297 9242 1 19 . 1 1 81 81 ALA H H 426 8.502 8.502 9.176 -0.674 18297 9243 1 19 . 1 1 82 82 ASP N N 427 120.165 120.165 122.266 -2.101 18297 9244 1 19 . 1 1 82 82 ASP HA H 427 5.100 5.100 5.007 0.093 18297 9245 1 19 . 1 1 82 82 ASP C C 427 176.669 176.669 175.997 0.672 18297 9246 1 19 . 1 1 82 82 ASP CA C 427 54.491 54.491 52.534 1.957 18297 9247 1 19 . 1 1 82 82 ASP CB C 427 46.891 46.891 44.524 2.367 18297 9248 1 19 . 1 1 82 82 ASP H H 427 8.906 8.906 8.176 0.730 18297 9249 1 19 . 1 1 83 83 VAL N N 428 119.201 119.201 117.628 1.573 18297 9250 1 19 . 1 1 83 83 VAL HA H 428 4.153 4.153 4.235 -0.082 18297 9251 1 19 . 1 1 83 83 VAL C C 428 177.085 177.085 176.888 0.197 18297 9252 1 19 . 1 1 83 83 VAL CA C 428 63.992 63.992 64.221 -0.229 18297 9253 1 19 . 1 1 83 83 VAL CB C 428 31.772 31.772 31.675 0.097 18297 9254 1 19 . 1 1 83 83 VAL H H 428 8.114 8.114 8.679 -0.565 18297 9255 1 19 . 1 1 84 84 THR N N 429 110.173 110.173 111.696 -1.523 18297 9256 1 19 . 1 1 84 84 THR HA H 429 4.235 4.235 4.509 -0.274 18297 9257 1 19 . 1 1 84 84 THR C C 429 174.905 174.905 175.113 -0.208 18297 9258 1 19 . 1 1 84 84 THR CA C 429 63.533 63.533 62.558 0.975 18297 9259 1 19 . 1 1 84 84 THR CB C 429 70.613 70.613 69.512 1.101 18297 9260 1 19 . 1 1 84 84 THR H H 429 7.899 7.899 8.872 -0.973 18297 9261 1 19 . 1 1 85 85 THR N N 430 116.438 116.438 119.539 -3.101 18297 9262 1 19 . 1 1 85 85 THR HA H 430 5.132 5.132 4.695 0.437 18297 9263 1 19 . 1 1 85 85 THR C C 430 173.160 173.160 172.823 0.337 18297 9264 1 19 . 1 1 85 85 THR CA C 430 57.863 57.863 59.664 -1.801 18297 9265 1 19 . 1 1 85 85 THR CB C 430 71.050 71.050 70.743 0.307 18297 9266 1 19 . 1 1 85 85 THR H H 430 7.810 7.810 8.028 -0.218 18297 9267 1 19 . 1 1 86 86 PRO HA H 431 4.582 4.582 4.494 0.088 18297 9268 1 19 . 1 1 86 86 PRO CA C 431 64.086 64.086 63.193 0.893 18297 9269 1 19 . 1 1 86 86 PRO CB C 431 31.995 31.995 31.588 0.407 18297 9270 1 19 . 1 1 87 87 GLN N N 432 117.241 117.241 117.851 -0.610 18297 9271 1 19 . 1 1 87 87 GLN HA H 432 4.618 4.618 4.539 0.079 18297 9272 1 19 . 1 1 87 87 GLN C C 432 175.653 175.653 174.632 1.021 18297 9273 1 19 . 1 1 87 87 GLN CA C 432 54.491 54.491 54.160 0.331 18297 9274 1 19 . 1 1 87 87 GLN CB C 432 30.799 30.799 31.130 -0.331 18297 9275 1 19 . 1 1 87 87 GLN H H 432 7.786 7.786 7.192 0.594 18297 9276 1 19 . 1 1 88 88 THR N N 433 119.651 119.651 116.464 3.187 18297 9277 1 19 . 1 1 88 88 THR HA H 433 4.440 4.440 5.209 -0.769 18297 9278 1 19 . 1 1 88 88 THR C C 433 173.939 173.939 174.497 -0.558 18297 9279 1 19 . 1 1 88 88 THR CA C 433 63.792 63.792 61.910 1.882 18297 9280 1 19 . 1 1 88 88 THR CB C 433 70.357 70.357 69.765 0.592 18297 9281 1 19 . 1 1 88 88 THR H H 433 8.460 8.460 8.346 0.114 18297 9282 1 19 . 1 1 89 89 VAL N N 434 128.068 128.068 126.406 1.662 18297 9283 1 19 . 1 1 89 89 VAL HA H 434 4.153 4.153 4.320 -0.167 18297 9284 1 19 . 1 1 89 89 VAL C C 434 174.083 174.083 174.569 -0.486 18297 9285 1 19 . 1 1 89 89 VAL CA C 434 61.827 61.827 60.983 0.843 18297 9286 1 19 . 1 1 89 89 VAL CB C 434 33.937 33.937 34.408 -0.471 18297 9287 1 19 . 1 1 89 89 VAL H H 434 9.275 9.275 9.126 0.149 18297 9288 1 19 . 1 1 90 90 LEU N N 435 125.755 125.755 127.474 -1.719 18297 9289 1 19 . 1 1 90 90 LEU HA H 435 5.304 5.304 5.218 0.086 18297 9290 1 19 . 1 1 90 90 LEU C C 435 176.455 176.455 175.277 1.178 18297 9291 1 19 . 1 1 90 90 LEU CA C 435 53.396 53.396 53.707 -0.311 18297 9292 1 19 . 1 1 90 90 LEU CB C 435 44.023 44.023 42.931 1.092 18297 9293 1 19 . 1 1 90 90 LEU H H 435 8.169 8.169 8.614 -0.445 18297 9294 1 19 . 1 1 91 91 PHE N N 436 120.743 120.743 127.053 -6.310 18297 9295 1 19 . 1 1 91 91 PHE HA H 436 5.314 5.314 5.391 -0.077 18297 9296 1 19 . 1 1 91 91 PHE C C 436 174.788 174.788 174.924 -0.136 18297 9297 1 19 . 1 1 91 91 PHE CA C 436 56.327 56.327 56.331 -0.004 18297 9298 1 19 . 1 1 91 91 PHE CB C 436 43.330 43.330 42.907 0.423 18297 9299 1 19 . 1 1 91 91 PHE H H 436 9.222 9.222 9.568 -0.346 18297 9300 1 19 . 1 1 92 92 LYS N N 437 123.120 123.120 123.238 -0.118 18297 9301 1 19 . 1 1 92 92 LYS HA H 437 4.708 4.708 5.247 -0.539 18297 9302 1 19 . 1 1 92 92 LYS C C 437 174.606 174.606 174.966 -0.360 18297 9303 1 19 . 1 1 92 92 LYS CA C 437 55.139 55.139 55.282 -0.143 18297 9304 1 19 . 1 1 92 92 LYS CB C 437 34.269 34.269 34.837 -0.568 18297 9305 1 19 . 1 1 92 92 LYS H H 437 8.908 8.908 9.348 -0.440 18297 9306 1 19 . 1 1 93 93 LEU N N 438 128.422 128.422 126.501 1.921 18297 9307 1 19 . 1 1 93 93 LEU HA H 438 4.480 4.480 4.819 -0.339 18297 9308 1 19 . 1 1 93 93 LEU C C 438 175.327 175.327 174.654 0.673 18297 9309 1 19 . 1 1 93 93 LEU CA C 438 55.139 55.139 53.477 1.662 18297 9310 1 19 . 1 1 93 93 LEU CB C 438 43.976 43.976 43.324 0.652 18297 9311 1 19 . 1 1 93 93 LEU H H 438 8.755 8.755 8.853 -0.098 18297 9312 1 19 . 1 1 94 94 HIS N N 439 123.859 123.859 126.392 -2.533 18297 9313 1 19 . 1 1 94 94 HIS HA H 439 5.180 5.180 4.838 0.342 18297 9314 1 19 . 1 1 94 94 HIS C C 439 174.297 174.297 173.650 0.647 18297 9315 1 19 . 1 1 94 94 HIS CA C 439 53.396 53.396 54.194 -0.798 18297 9316 1 19 . 1 1 94 94 HIS CB C 439 30.786 30.786 32.879 -2.093 18297 9317 1 19 . 1 1 94 94 HIS H H 439 8.891 8.891 9.152 -0.261 18297 9318 1 19 . 1 1 95 95 PHE N N 440 123.544 123.544 123.517 0.027 18297 9319 1 19 . 1 1 95 95 PHE HA H 440 6.231 6.231 5.666 0.565 18297 9320 1 19 . 1 1 95 95 PHE C C 440 178.229 178.229 176.639 1.590 18297 9321 1 19 . 1 1 95 95 PHE CA C 440 53.690 53.690 57.306 -3.616 18297 9322 1 19 . 1 1 95 95 PHE CB C 440 39.477 39.477 40.466 -0.989 18297 9323 1 19 . 1 1 95 95 PHE H H 440 8.896 8.896 8.860 0.036 18297 9324 1 19 . 1 1 96 96 THR N N 441 114.382 114.382 119.819 -5.437 18297 9325 1 19 . 1 1 96 96 THR HA H 441 4.617 4.617 4.576 0.041 18297 9326 1 19 . 1 1 96 96 THR C C 441 173.867 173.867 173.779 0.088 18297 9327 1 19 . 1 1 96 96 THR CA C 441 61.327 61.327 61.825 -0.498 18297 9328 1 19 . 1 1 96 96 THR CB C 441 69.561 69.561 69.373 0.188 18297 9329 1 19 . 1 1 96 96 THR H H 441 7.973 7.973 9.020 -1.047 18297 9330 1 20 . 1 1 2 2 SER HA H 347 4.570 4.570 4.735 -0.165 18297 9331 1 20 . 1 1 2 2 SER C C 347 174.335 174.335 174.624 -0.289 18297 9332 1 20 . 1 1 2 2 SER CA C 347 58.350 58.350 57.956 0.394 18297 9333 1 20 . 1 1 2 2 SER CB C 347 63.999 63.999 65.398 -1.399 18297 9334 1 20 . 1 1 3 3 GLN N N 348 122.478 122.478 121.017 1.461 18297 9335 1 20 . 1 1 3 3 GLN HA H 348 4.430 4.430 4.510 -0.080 18297 9336 1 20 . 1 1 3 3 GLN C C 348 175.651 175.651 176.264 -0.613 18297 9337 1 20 . 1 1 3 3 GLN CA C 348 55.743 55.743 55.728 0.015 18297 9338 1 20 . 1 1 3 3 GLN CB C 348 29.750 29.750 28.921 0.829 18297 9339 1 20 . 1 1 3 3 GLN H H 348 8.532 8.532 8.430 0.102 18297 9340 1 20 . 1 1 4 4 LEU N N 349 125.369 125.369 119.890 5.479 18297 9341 1 20 . 1 1 4 4 LEU HA H 349 4.634 4.634 4.738 -0.104 18297 9342 1 20 . 1 1 4 4 LEU C C 349 175.324 175.324 174.808 0.516 18297 9343 1 20 . 1 1 4 4 LEU CA C 349 53.197 53.197 53.118 0.079 18297 9344 1 20 . 1 1 4 4 LEU CB C 349 41.867 41.867 41.086 0.781 18297 9345 1 20 . 1 1 4 4 LEU H H 349 8.403 8.403 7.578 0.825 18297 9346 1 20 . 1 1 5 5 PRO HA H 350 4.360 4.360 4.613 -0.253 18297 9347 1 20 . 1 1 5 5 PRO C C 350 176.639 176.639 175.721 0.918 18297 9348 1 20 . 1 1 5 5 PRO CA C 350 62.748 62.748 62.288 0.460 18297 9349 1 20 . 1 1 5 5 PRO CB C 350 32.319 32.319 32.502 -0.183 18297 9350 1 20 . 1 1 6 6 GLN N N 351 121.707 121.707 122.442 -0.735 18297 9351 1 20 . 1 1 6 6 GLN HA H 351 4.428 4.428 4.267 0.161 18297 9352 1 20 . 1 1 6 6 GLN C C 351 175.898 175.898 174.443 1.455 18297 9353 1 20 . 1 1 6 6 GLN CA C 351 55.678 55.678 54.236 1.442 18297 9354 1 20 . 1 1 6 6 GLN CB C 351 30.054 30.054 30.026 0.028 18297 9355 1 20 . 1 1 6 6 GLN H H 351 8.255 8.255 8.357 -0.102 18297 9356 1 20 . 1 1 7 7 ASN N N 352 123.275 123.275 122.427 0.848 18297 9357 1 20 . 1 1 7 7 ASN HA H 352 5.470 5.470 5.659 -0.189 18297 9358 1 20 . 1 1 7 7 ASN C C 352 175.324 175.324 174.792 0.532 18297 9359 1 20 . 1 1 7 7 ASN CA C 352 54.009 54.009 51.938 2.071 18297 9360 1 20 . 1 1 7 7 ASN CB C 352 40.414 40.414 40.340 0.074 18297 9361 1 20 . 1 1 7 7 ASN H H 352 8.860 8.860 8.541 0.319 18297 9362 1 20 . 1 1 8 8 ILE N N 353 119.104 119.104 115.892 3.212 18297 9363 1 20 . 1 1 8 8 ILE HA H 353 4.625 4.625 4.793 -0.168 18297 9364 1 20 . 1 1 8 8 ILE C C 353 173.669 173.669 174.020 -0.351 18297 9365 1 20 . 1 1 8 8 ILE CA C 353 60.201 60.201 59.616 0.585 18297 9366 1 20 . 1 1 8 8 ILE CB C 353 41.404 41.404 42.016 -0.612 18297 9367 1 20 . 1 1 8 8 ILE H H 353 8.808 8.808 9.026 -0.218 18297 9368 1 20 . 1 1 9 9 GLN N N 354 122.671 122.671 122.883 -0.212 18297 9369 1 20 . 1 1 9 9 GLN HA H 354 5.586 5.586 5.542 0.044 18297 9370 1 20 . 1 1 9 9 GLN C C 354 174.274 174.274 174.756 -0.482 18297 9371 1 20 . 1 1 9 9 GLN CA C 354 54.491 54.491 54.457 0.034 18297 9372 1 20 . 1 1 9 9 GLN CB C 354 31.120 31.120 31.784 -0.664 18297 9373 1 20 . 1 1 9 9 GLN H H 354 8.021 8.021 8.318 -0.297 18297 9374 1 20 . 1 1 10 10 PHE N N 355 120.679 120.679 122.318 -1.639 18297 9375 1 20 . 1 1 10 10 PHE HA H 355 4.635 4.635 4.812 -0.177 18297 9376 1 20 . 1 1 10 10 PHE C C 355 174.715 174.715 174.689 0.026 18297 9377 1 20 . 1 1 10 10 PHE CA C 355 57.226 57.226 56.702 0.524 18297 9378 1 20 . 1 1 10 10 PHE CB C 355 45.969 45.969 43.977 1.992 18297 9379 1 20 . 1 1 10 10 PHE H H 355 8.403 8.403 9.192 -0.789 18297 9380 1 20 . 1 1 11 11 SER N N 356 116.116 116.116 118.161 -2.045 18297 9381 1 20 . 1 1 11 11 SER HA H 356 5.020 5.020 5.321 -0.301 18297 9382 1 20 . 1 1 11 11 SER C C 356 174.917 174.917 174.370 0.547 18297 9383 1 20 . 1 1 11 11 SER CA C 356 56.110 56.110 55.708 0.402 18297 9384 1 20 . 1 1 11 11 SER CB C 356 63.879 63.879 63.832 0.047 18297 9385 1 20 . 1 1 11 11 SER H H 356 8.757 8.757 8.725 0.032 18297 9386 1 20 . 1 1 12 12 PRO HA H 357 3.776 3.776 4.094 -0.318 18297 9387 1 20 . 1 1 12 12 PRO C C 357 176.155 176.155 177.718 -1.563 18297 9388 1 20 . 1 1 12 12 PRO CA C 357 64.886 64.886 65.164 -0.278 18297 9389 1 20 . 1 1 12 12 PRO CB C 357 31.222 31.222 31.583 -0.361 18297 9390 1 20 . 1 1 13 13 SER N N 358 107.859 107.859 112.571 -4.712 18297 9391 1 20 . 1 1 13 13 SER HA H 358 4.388 4.388 4.475 -0.087 18297 9392 1 20 . 1 1 13 13 SER C C 358 173.972 173.972 174.572 -0.600 18297 9393 1 20 . 1 1 13 13 SER CA C 358 57.728 57.728 58.730 -1.002 18297 9394 1 20 . 1 1 13 13 SER CB C 358 63.879 63.879 62.912 0.967 18297 9395 1 20 . 1 1 13 13 SER H H 358 7.636 7.636 8.235 -0.599 18297 9396 1 20 . 1 1 14 14 ALA N N 359 126.012 126.012 125.988 0.024 18297 9397 1 20 . 1 1 14 14 ALA HA H 359 4.320 4.320 4.429 -0.109 18297 9398 1 20 . 1 1 14 14 ALA C C 359 177.288 177.288 175.677 1.611 18297 9399 1 20 . 1 1 14 14 ALA CA C 359 52.849 52.849 52.506 0.343 18297 9400 1 20 . 1 1 14 14 ALA CB C 359 19.372 19.372 20.223 -0.851 18297 9401 1 20 . 1 1 14 14 ALA H H 359 7.937 7.937 8.075 -0.138 18297 9402 1 20 . 1 1 15 15 LYS N N 360 119.699 119.699 123.668 -3.969 18297 9403 1 20 . 1 1 15 15 LYS HA H 360 4.751 4.751 4.622 0.129 18297 9404 1 20 . 1 1 15 15 LYS C C 360 179.638 179.638 177.444 2.194 18297 9405 1 20 . 1 1 15 15 LYS CA C 360 54.815 54.815 55.280 -0.465 18297 9406 1 20 . 1 1 15 15 LYS CB C 360 33.127 33.127 34.680 -1.553 18297 9407 1 20 . 1 1 15 15 LYS H H 360 8.523 8.523 8.352 0.171 18297 9408 1 20 . 1 1 16 16 LEU N N 361 123.297 123.297 126.509 -3.212 18297 9409 1 20 . 1 1 16 16 LEU HA H 361 3.828 3.828 3.912 -0.084 18297 9410 1 20 . 1 1 16 16 LEU C C 361 178.714 178.714 178.368 0.346 18297 9411 1 20 . 1 1 16 16 LEU CA C 361 58.321 58.321 58.297 0.024 18297 9412 1 20 . 1 1 16 16 LEU CB C 361 40.240 40.240 41.905 -1.665 18297 9413 1 20 . 1 1 16 16 LEU H H 361 8.383 8.383 8.694 -0.311 18297 9414 1 20 . 1 1 17 17 GLN N N 362 117.900 117.900 117.952 -0.052 18297 9415 1 20 . 1 1 17 17 GLN HA H 362 3.621 3.621 3.938 -0.317 18297 9416 1 20 . 1 1 17 17 GLN C C 362 176.370 176.370 178.161 -1.791 18297 9417 1 20 . 1 1 17 17 GLN CA C 362 58.547 58.547 58.857 -0.310 18297 9418 1 20 . 1 1 17 17 GLN CB C 362 29.442 29.442 27.977 1.465 18297 9419 1 20 . 1 1 17 17 GLN H H 362 8.766 8.766 8.373 0.393 18297 9420 1 20 . 1 1 18 18 GLU N N 363 116.341 116.341 119.791 -3.450 18297 9421 1 20 . 1 1 18 18 GLU HA H 363 4.201 4.201 4.342 -0.141 18297 9422 1 20 . 1 1 18 18 GLU C C 363 180.135 180.135 179.021 1.114 18297 9423 1 20 . 1 1 18 18 GLU CA C 363 59.669 59.669 58.490 1.179 18297 9424 1 20 . 1 1 18 18 GLU CB C 363 29.870 29.870 28.835 1.035 18297 9425 1 20 . 1 1 18 18 GLU H H 363 7.783 7.783 8.368 -0.585 18297 9426 1 20 . 1 1 19 19 VAL N N 364 120.647 120.647 119.828 0.819 18297 9427 1 20 . 1 1 19 19 VAL HA H 364 3.421 3.421 3.679 -0.258 18297 9428 1 20 . 1 1 19 19 VAL C C 364 177.380 177.380 177.984 -0.604 18297 9429 1 20 . 1 1 19 19 VAL CA C 364 65.433 65.433 65.914 -0.481 18297 9430 1 20 . 1 1 19 19 VAL CB C 364 30.964 30.964 31.267 -0.303 18297 9431 1 20 . 1 1 19 19 VAL H H 364 7.224 7.224 7.427 -0.203 18297 9432 1 20 . 1 1 20 20 LEU N N 365 120.743 120.743 119.115 1.628 18297 9433 1 20 . 1 1 20 20 LEU HA H 365 3.916 3.916 3.936 -0.020 18297 9434 1 20 . 1 1 20 20 LEU C C 365 178.974 178.974 178.808 0.166 18297 9435 1 20 . 1 1 20 20 LEU CA C 365 58.612 58.612 57.824 0.788 18297 9436 1 20 . 1 1 20 20 LEU CB C 365 41.425 41.425 41.212 0.213 18297 9437 1 20 . 1 1 20 20 LEU H H 365 7.517 7.517 7.378 0.139 18297 9438 1 20 . 1 1 21 21 ASP N N 366 119.329 119.329 117.375 1.954 18297 9439 1 20 . 1 1 21 21 ASP HA H 366 4.306 4.306 4.346 -0.040 18297 9440 1 20 . 1 1 21 21 ASP C C 366 177.992 177.992 177.484 0.508 18297 9441 1 20 . 1 1 21 21 ASP CA C 366 57.405 57.405 57.449 -0.044 18297 9442 1 20 . 1 1 21 21 ASP CB C 366 40.265 40.265 40.971 -0.706 18297 9443 1 20 . 1 1 21 21 ASP H H 366 8.805 8.805 7.823 0.982 18297 9444 1 20 . 1 1 22 22 TYR N N 367 121.643 121.643 119.110 2.533 18297 9445 1 20 . 1 1 22 22 TYR HA H 367 4.305 4.305 4.310 -0.005 18297 9446 1 20 . 1 1 22 22 TYR C C 367 177.701 177.701 177.134 0.567 18297 9447 1 20 . 1 1 22 22 TYR CA C 367 61.777 61.777 60.475 1.302 18297 9448 1 20 . 1 1 22 22 TYR CB C 367 38.801 38.801 38.881 -0.080 18297 9449 1 20 . 1 1 22 22 TYR H H 367 7.718 7.718 7.610 0.108 18297 9450 1 20 . 1 1 23 23 LEU N N 368 118.414 118.414 118.660 -0.246 18297 9451 1 20 . 1 1 23 23 LEU HA H 368 3.910 3.910 4.064 -0.154 18297 9452 1 20 . 1 1 23 23 LEU C C 368 178.019 178.019 177.992 0.027 18297 9453 1 20 . 1 1 23 23 LEU CA C 368 57.773 57.773 57.485 0.288 18297 9454 1 20 . 1 1 23 23 LEU CB C 368 42.032 42.032 42.119 -0.087 18297 9455 1 20 . 1 1 23 23 LEU H H 368 8.060 8.060 7.502 0.558 18297 9456 1 20 . 1 1 24 24 THR N N 369 106.606 106.606 110.459 -3.853 18297 9457 1 20 . 1 1 24 24 THR HA H 369 4.507 4.507 4.339 0.168 18297 9458 1 20 . 1 1 24 24 THR C C 369 176.576 176.576 173.916 2.660 18297 9459 1 20 . 1 1 24 24 THR CA C 369 63.245 63.245 62.537 0.708 18297 9460 1 20 . 1 1 24 24 THR CB C 369 70.517 70.517 69.842 0.675 18297 9461 1 20 . 1 1 24 24 THR H H 369 8.017 8.017 8.017 -0.000 18297 9462 1 20 . 1 1 25 25 ASN N N 370 118.847 118.847 119.274 -0.427 18297 9463 1 20 . 1 1 25 25 ASN HA H 370 4.846 4.846 4.946 -0.100 18297 9464 1 20 . 1 1 25 25 ASN C C 370 176.455 176.455 174.741 1.714 18297 9465 1 20 . 1 1 25 25 ASN CA C 370 53.944 53.944 52.367 1.577 18297 9466 1 20 . 1 1 25 25 ASN CB C 370 39.718 39.718 41.428 -1.710 18297 9467 1 20 . 1 1 25 25 ASN H H 370 8.149 8.149 8.325 -0.176 18297 9468 1 20 . 1 1 26 26 SER N N 371 116.888 116.888 117.222 -0.334 18297 9469 1 20 . 1 1 26 26 SER HA H 371 4.375 4.375 4.447 -0.072 18297 9470 1 20 . 1 1 26 26 SER C C 371 176.257 176.257 175.380 0.877 18297 9471 1 20 . 1 1 26 26 SER CA C 371 59.603 59.603 61.299 -1.696 18297 9472 1 20 . 1 1 26 26 SER CB C 371 63.792 63.792 63.715 0.077 18297 9473 1 20 . 1 1 26 26 SER H H 371 7.889 7.889 8.714 -0.825 18297 9474 1 20 . 1 1 27 27 ALA N N 372 128.743 128.743 122.182 6.561 18297 9475 1 20 . 1 1 27 27 ALA HA H 372 4.228 4.228 4.617 -0.389 18297 9476 1 20 . 1 1 27 27 ALA C C 372 178.538 178.538 179.971 -1.433 18297 9477 1 20 . 1 1 27 27 ALA CA C 372 54.491 54.491 54.372 0.119 18297 9478 1 20 . 1 1 27 27 ALA CB C 372 18.772 18.772 18.704 0.068 18297 9479 1 20 . 1 1 27 27 ALA H H 372 8.836 8.836 8.187 0.649 18297 9480 1 20 . 1 1 28 28 SER N N 373 110.751 110.751 114.511 -3.760 18297 9481 1 20 . 1 1 28 28 SER HA H 373 4.426 4.426 4.435 -0.009 18297 9482 1 20 . 1 1 28 28 SER C C 373 174.548 174.548 175.526 -0.978 18297 9483 1 20 . 1 1 28 28 SER CA C 373 59.415 59.415 60.182 -0.767 18297 9484 1 20 . 1 1 28 28 SER CB C 373 63.394 63.394 62.976 0.418 18297 9485 1 20 . 1 1 28 28 SER H H 373 8.069 8.069 8.346 -0.277 18297 9486 1 20 . 1 1 29 29 LEU N N 374 122.012 122.012 121.692 0.320 18297 9487 1 20 . 1 1 29 29 LEU HA H 374 4.465 4.465 4.577 -0.112 18297 9488 1 20 . 1 1 29 29 LEU C C 374 175.716 175.716 176.296 -0.580 18297 9489 1 20 . 1 1 29 29 LEU CA C 374 56.132 56.132 53.637 2.495 18297 9490 1 20 . 1 1 29 29 LEU CB C 374 44.295 44.295 41.718 2.577 18297 9491 1 20 . 1 1 29 29 LEU H H 374 7.547 7.547 7.936 -0.389 18297 9492 1 20 . 1 1 30 30 GLN N N 375 116.052 116.052 118.452 -2.400 18297 9493 1 20 . 1 1 30 30 GLN HA H 375 4.003 4.003 4.061 -0.058 18297 9494 1 20 . 1 1 30 30 GLN C C 375 175.498 175.498 176.873 -1.375 18297 9495 1 20 . 1 1 30 30 GLN CA C 375 56.434 56.434 58.373 -1.940 18297 9496 1 20 . 1 1 30 30 GLN CB C 375 27.948 27.948 28.151 -0.203 18297 9497 1 20 . 1 1 30 30 GLN H H 375 8.060 8.060 7.565 0.495 18297 9498 1 20 . 1 1 31 31 MET N N 376 117.691 117.691 116.080 1.611 18297 9499 1 20 . 1 1 31 31 MET HA H 376 4.283 4.283 4.640 -0.357 18297 9500 1 20 . 1 1 31 31 MET C C 376 175.843 175.843 176.324 -0.481 18297 9501 1 20 . 1 1 31 31 MET CA C 376 57.728 57.728 56.434 1.294 18297 9502 1 20 . 1 1 31 31 MET CB C 376 33.451 33.451 33.142 0.309 18297 9503 1 20 . 1 1 31 31 MET H H 376 8.211 8.211 8.061 0.150 18297 9504 1 20 . 1 1 32 32 LYS N N 377 122.028 122.028 118.672 3.356 18297 9505 1 20 . 1 1 32 32 LYS HA H 377 4.414 4.414 4.349 0.065 18297 9506 1 20 . 1 1 32 32 LYS C C 377 177.837 177.837 176.662 1.175 18297 9507 1 20 . 1 1 32 32 LYS CA C 377 58.052 58.052 56.572 1.480 18297 9508 1 20 . 1 1 32 32 LYS CB C 377 34.994 34.994 32.360 2.634 18297 9509 1 20 . 1 1 32 32 LYS H H 377 9.461 9.461 8.167 1.294 18297 9510 1 20 . 1 1 33 33 SER N N 378 115.056 115.056 116.711 -1.655 18297 9511 1 20 . 1 1 33 33 SER HA H 378 4.650 4.650 4.584 0.066 18297 9512 1 20 . 1 1 33 33 SER C C 378 172.026 172.026 173.301 -1.275 18297 9513 1 20 . 1 1 33 33 SER CA C 378 55.038 55.038 56.128 -1.090 18297 9514 1 20 . 1 1 33 33 SER CB C 378 62.908 62.908 63.816 -0.908 18297 9515 1 20 . 1 1 33 33 SER H H 378 10.101 10.101 7.610 2.491 18297 9516 1 20 . 1 1 34 34 PRO HA H 379 5.043 5.043 4.247 0.796 18297 9517 1 20 . 1 1 34 34 PRO C C 379 175.422 175.422 175.329 0.093 18297 9518 1 20 . 1 1 34 34 PRO CA C 379 63.792 63.792 63.006 0.786 18297 9519 1 20 . 1 1 34 34 PRO CB C 379 33.703 33.703 32.012 1.691 18297 9520 1 20 . 1 1 35 35 ALA N N 380 121.498 121.498 122.912 -1.414 18297 9521 1 20 . 1 1 35 35 ALA HA H 380 5.137 5.137 3.699 1.438 18297 9522 1 20 . 1 1 35 35 ALA C C 380 177.313 177.313 175.592 1.721 18297 9523 1 20 . 1 1 35 35 ALA CA C 380 50.661 50.661 49.944 0.717 18297 9524 1 20 . 1 1 35 35 ALA CB C 380 22.118 22.118 21.954 0.164 18297 9525 1 20 . 1 1 35 35 ALA H H 380 8.894 8.894 8.571 0.323 18297 9526 1 20 . 1 1 36 36 ILE N N 381 120.470 120.470 123.808 -3.338 18297 9527 1 20 . 1 1 36 36 ILE HA H 381 4.967 4.967 4.515 0.452 18297 9528 1 20 . 1 1 36 36 ILE C C 381 175.314 175.314 175.280 0.034 18297 9529 1 20 . 1 1 36 36 ILE CA C 381 61.056 61.056 60.298 0.758 18297 9530 1 20 . 1 1 36 36 ILE CB C 381 41.364 41.364 39.764 1.600 18297 9531 1 20 . 1 1 36 36 ILE H H 381 9.038 9.038 8.601 0.437 18297 9532 1 20 . 1 1 37 37 THR N N 382 123.297 123.297 123.502 -0.205 18297 9533 1 20 . 1 1 37 37 THR HA H 382 5.252 5.252 5.106 0.146 18297 9534 1 20 . 1 1 37 37 THR C C 382 172.289 172.289 172.723 -0.434 18297 9535 1 20 . 1 1 37 37 THR CA C 382 60.977 60.977 60.800 0.177 18297 9536 1 20 . 1 1 37 37 THR CB C 382 71.919 71.919 71.224 0.695 18297 9537 1 20 . 1 1 37 37 THR H H 382 9.363 9.363 8.942 0.421 18297 9538 1 20 . 1 1 38 38 ALA N N 383 123.340 123.340 127.331 -3.991 18297 9539 1 20 . 1 1 38 38 ALA HA H 383 4.935 4.935 4.879 0.056 18297 9540 1 20 . 1 1 38 38 ALA C C 383 175.743 175.743 175.381 0.362 18297 9541 1 20 . 1 1 38 38 ALA CA C 383 51.147 51.147 50.079 1.068 18297 9542 1 20 . 1 1 38 38 ALA CB C 383 22.758 22.758 22.691 0.067 18297 9543 1 20 . 1 1 38 38 ALA H H 383 8.896 8.896 9.201 -0.305 18297 9544 1 20 . 1 1 39 39 THR N N 384 118.815 118.815 118.356 0.459 18297 9545 1 20 . 1 1 39 39 THR HA H 384 4.892 4.892 5.242 -0.350 18297 9546 1 20 . 1 1 39 39 THR C C 384 174.098 174.098 173.806 0.292 18297 9547 1 20 . 1 1 39 39 THR CA C 384 62.310 62.310 62.496 -0.186 18297 9548 1 20 . 1 1 39 39 THR CB C 384 69.263 69.263 69.321 -0.058 18297 9549 1 20 . 1 1 39 39 THR H H 384 8.968 8.968 8.661 0.307 18297 9550 1 20 . 1 1 40 40 LEU N N 385 128.711 128.711 127.898 0.813 18297 9551 1 20 . 1 1 40 40 LEU HA H 385 4.791 4.791 4.778 0.013 18297 9552 1 20 . 1 1 40 40 LEU C C 385 176.479 176.479 176.058 0.421 18297 9553 1 20 . 1 1 40 40 LEU CA C 385 53.944 53.944 53.425 0.519 18297 9554 1 20 . 1 1 40 40 LEU CB C 385 44.966 44.966 43.965 1.001 18297 9555 1 20 . 1 1 40 40 LEU H H 385 8.667 8.667 9.165 -0.498 18297 9556 1 20 . 1 1 41 41 GLU N N 386 124.470 124.470 126.098 -1.628 18297 9557 1 20 . 1 1 41 41 GLU HA H 386 3.936 3.936 3.950 -0.014 18297 9558 1 20 . 1 1 41 41 GLU C C 386 176.878 176.878 176.126 0.752 18297 9559 1 20 . 1 1 41 41 GLU CA C 386 57.226 57.226 56.772 0.454 18297 9560 1 20 . 1 1 41 41 GLU CB C 386 27.735 27.735 28.403 -0.668 18297 9561 1 20 . 1 1 41 41 GLU H H 386 9.547 9.547 9.320 0.227 18297 9562 1 20 . 1 1 42 42 GLY N N 387 104.068 104.068 103.183 0.885 18297 9563 1 20 . 1 1 42 42 GLY C C 387 173.993 173.993 173.902 0.091 18297 9564 1 20 . 1 1 42 42 GLY CA C 387 45.596 45.596 45.167 0.429 18297 9565 1 20 . 1 1 42 42 GLY H H 387 8.578 8.578 8.299 0.279 18297 9566 1 20 . 1 1 43 43 LYS N N 388 120.422 120.422 121.664 -1.242 18297 9567 1 20 . 1 1 43 43 LYS HA H 388 4.701 4.701 4.488 0.213 18297 9568 1 20 . 1 1 43 43 LYS C C 388 175.054 175.054 175.314 -0.260 18297 9569 1 20 . 1 1 43 43 LYS CA C 388 54.491 54.491 55.061 -0.570 18297 9570 1 20 . 1 1 43 43 LYS CB C 388 34.968 34.968 33.976 0.992 18297 9571 1 20 . 1 1 43 43 LYS H H 388 7.826 7.826 7.785 0.041 18297 9572 1 20 . 1 1 44 44 ASN N N 389 122.606 122.606 121.471 1.135 18297 9573 1 20 . 1 1 44 44 ASN HA H 389 4.895 4.895 5.046 -0.151 18297 9574 1 20 . 1 1 44 44 ASN C C 389 174.905 174.905 174.782 0.123 18297 9575 1 20 . 1 1 44 44 ASN CA C 389 53.944 53.944 53.257 0.687 18297 9576 1 20 . 1 1 44 44 ASN CB C 389 39.229 39.229 38.949 0.280 18297 9577 1 20 . 1 1 44 44 ASN H H 389 8.827 8.827 8.709 0.118 18297 9578 1 20 . 1 1 45 45 ARG N N 390 125.867 125.867 126.371 -0.504 18297 9579 1 20 . 1 1 45 45 ARG HA H 390 4.756 4.756 4.657 0.099 18297 9580 1 20 . 1 1 45 45 ARG C C 390 175.224 175.224 174.989 0.235 18297 9581 1 20 . 1 1 45 45 ARG CA C 390 54.491 54.491 54.737 -0.246 18297 9582 1 20 . 1 1 45 45 ARG CB C 390 32.973 32.973 33.169 -0.196 18297 9583 1 20 . 1 1 45 45 ARG H H 390 9.220 9.220 9.156 0.064 18297 9584 1 20 . 1 1 46 46 THR N N 391 122.574 122.574 121.497 1.077 18297 9585 1 20 . 1 1 46 46 THR HA H 391 4.289 4.289 4.473 -0.184 18297 9586 1 20 . 1 1 46 46 THR C C 391 174.010 174.010 174.960 -0.950 18297 9587 1 20 . 1 1 46 46 THR CA C 391 63.509 63.509 62.091 1.418 18297 9588 1 20 . 1 1 46 46 THR CB C 391 68.716 68.716 69.309 -0.593 18297 9589 1 20 . 1 1 46 46 THR H H 391 8.940 8.940 8.789 0.151 18297 9590 1 20 . 1 1 47 47 LEU N N 392 128.647 128.647 125.100 3.547 18297 9591 1 20 . 1 1 47 47 LEU HA H 392 4.339 4.339 4.738 -0.399 18297 9592 1 20 . 1 1 47 47 LEU C C 392 176.670 176.670 176.358 0.312 18297 9593 1 20 . 1 1 47 47 LEU CA C 392 56.132 56.132 55.251 0.881 18297 9594 1 20 . 1 1 47 47 LEU CB C 392 42.678 42.678 42.451 0.227 18297 9595 1 20 . 1 1 47 47 LEU H H 392 9.096 9.096 7.992 1.104 18297 9596 1 20 . 1 1 48 48 TYR N N 393 113.514 113.514 120.114 -6.600 18297 9597 1 20 . 1 1 48 48 TYR HA H 393 4.618 4.618 4.207 0.411 18297 9598 1 20 . 1 1 48 48 TYR C C 393 173.455 173.455 175.015 -1.560 18297 9599 1 20 . 1 1 48 48 TYR CA C 393 59.415 59.415 61.192 -1.777 18297 9600 1 20 . 1 1 48 48 TYR CB C 393 41.384 41.384 39.690 1.694 18297 9601 1 20 . 1 1 48 48 TYR H H 393 7.562 7.562 7.503 0.059 18297 9602 1 20 . 1 1 57 57 GLU N N 402 128.181 128.181 119.414 8.767 18297 9603 1 20 . 1 1 57 57 GLU H H 402 8.645 8.645 8.553 0.092 18297 9604 1 20 . 1 1 58 58 ARG N N 403 117.080 117.080 119.972 -2.892 18297 9605 1 20 . 1 1 58 58 ARG HA H 403 4.302 4.302 4.308 -0.006 18297 9606 1 20 . 1 1 58 58 ARG CA C 403 58.321 58.321 55.844 2.477 18297 9607 1 20 . 1 1 58 58 ARG CB C 403 31.165 31.165 29.641 1.524 18297 9608 1 20 . 1 1 58 58 ARG H H 403 8.278 8.278 8.117 0.161 18297 9609 1 20 . 1 1 59 59 THR N N 404 108.390 108.390 113.343 -4.953 18297 9610 1 20 . 1 1 59 59 THR HA H 404 4.932 4.932 4.500 0.432 18297 9611 1 20 . 1 1 59 59 THR H H 404 8.301 8.301 7.870 0.431 18297 9612 1 20 . 1 1 60 60 ARG N N 405 126.639 126.639 120.177 6.462 18297 9613 1 20 . 1 1 60 60 ARG H H 405 8.549 8.549 8.308 0.241 18297 9614 1 20 . 1 1 61 61 PRO HA H 406 4.431 4.431 4.625 -0.194 18297 9615 1 20 . 1 1 61 61 PRO C C 406 178.434 178.434 177.210 1.224 18297 9616 1 20 . 1 1 61 61 PRO CA C 406 65.980 65.980 63.936 2.044 18297 9617 1 20 . 1 1 61 61 PRO CB C 406 31.348 31.348 32.391 -1.043 18297 9618 1 20 . 1 1 62 62 ASN N N 407 114.574 114.574 119.295 -4.721 18297 9619 1 20 . 1 1 62 62 ASN HA H 407 4.390 4.390 4.469 -0.079 18297 9620 1 20 . 1 1 62 62 ASN C C 407 177.863 177.863 177.261 0.602 18297 9621 1 20 . 1 1 62 62 ASN CA C 407 55.308 55.308 56.348 -1.040 18297 9622 1 20 . 1 1 62 62 ASN CB C 407 37.530 37.530 37.769 -0.239 18297 9623 1 20 . 1 1 62 62 ASN H H 407 8.481 8.481 8.900 -0.419 18297 9624 1 20 . 1 1 63 63 LEU N N 408 115.667 115.667 115.091 0.576 18297 9625 1 20 . 1 1 63 63 LEU HA H 408 3.861 3.861 4.200 -0.339 18297 9626 1 20 . 1 1 63 63 LEU C C 408 177.708 177.708 177.705 0.003 18297 9627 1 20 . 1 1 63 63 LEU CA C 408 57.667 57.667 57.166 0.501 18297 9628 1 20 . 1 1 63 63 LEU CB C 408 41.706 41.706 40.661 1.045 18297 9629 1 20 . 1 1 63 63 LEU H H 408 8.022 8.022 8.003 0.019 18297 9630 1 20 . 1 1 64 64 SER N N 409 109.209 109.209 113.517 -4.308 18297 9631 1 20 . 1 1 64 64 SER HA H 409 4.588 4.588 4.479 0.109 18297 9632 1 20 . 1 1 64 64 SER C C 409 173.870 173.870 174.604 -0.734 18297 9633 1 20 . 1 1 64 64 SER CA C 409 58.321 58.321 59.683 -1.362 18297 9634 1 20 . 1 1 64 64 SER CB C 409 63.855 63.855 63.359 0.496 18297 9635 1 20 . 1 1 64 64 SER H H 409 7.232 7.232 7.526 -0.294 18297 9636 1 20 . 1 1 65 65 LYS N N 410 122.735 122.735 120.894 1.841 18297 9637 1 20 . 1 1 65 65 LYS HA H 410 4.609 4.609 4.580 0.029 18297 9638 1 20 . 1 1 65 65 LYS C C 410 175.946 175.946 175.939 0.007 18297 9639 1 20 . 1 1 65 65 LYS CA C 410 55.463 55.463 54.524 0.939 18297 9640 1 20 . 1 1 65 65 LYS CB C 410 34.422 34.422 33.655 0.767 18297 9641 1 20 . 1 1 65 65 LYS H H 410 7.543 7.543 7.472 0.071 18297 9642 1 20 . 1 1 66 66 THR N N 411 110.944 110.944 111.206 -0.262 18297 9643 1 20 . 1 1 66 66 THR HA H 411 5.003 5.003 4.858 0.145 18297 9644 1 20 . 1 1 66 66 THR C C 411 176.038 176.038 176.337 -0.299 18297 9645 1 20 . 1 1 66 66 THR CA C 411 60.221 60.221 60.901 -0.680 18297 9646 1 20 . 1 1 66 66 THR CB C 411 70.956 70.956 70.585 0.371 18297 9647 1 20 . 1 1 66 66 THR H H 411 8.980 8.980 8.081 0.899 18297 9648 1 20 . 1 1 67 67 LEU N N 412 118.076 118.076 121.171 -3.095 18297 9649 1 20 . 1 1 67 67 LEU HA H 412 3.961 3.961 4.028 -0.067 18297 9650 1 20 . 1 1 67 67 LEU C C 412 179.227 179.227 178.850 0.377 18297 9651 1 20 . 1 1 67 67 LEU CA C 412 58.321 58.321 58.682 -0.361 18297 9652 1 20 . 1 1 67 67 LEU CB C 412 39.914 39.914 41.645 -1.731 18297 9653 1 20 . 1 1 67 67 LEU H H 412 8.434 8.434 8.963 -0.529 18297 9654 1 20 . 1 1 68 68 LYS N N 413 116.373 116.373 119.262 -2.889 18297 9655 1 20 . 1 1 68 68 LYS HA H 413 4.285 4.285 4.090 0.195 18297 9656 1 20 . 1 1 68 68 LYS C C 413 181.338 181.338 179.445 1.893 18297 9657 1 20 . 1 1 68 68 LYS CA C 413 58.868 58.868 58.836 0.032 18297 9658 1 20 . 1 1 68 68 LYS CB C 413 32.606 32.606 31.706 0.900 18297 9659 1 20 . 1 1 68 68 LYS H H 413 8.171 8.171 7.569 0.602 18297 9660 1 20 . 1 1 69 69 GLU N N 414 123.731 123.731 119.546 4.185 18297 9661 1 20 . 1 1 69 69 GLU HA H 414 4.072 4.072 4.091 -0.019 18297 9662 1 20 . 1 1 69 69 GLU C C 414 179.202 179.202 179.139 0.063 18297 9663 1 20 . 1 1 69 69 GLU CA C 414 58.868 58.868 58.883 -0.014 18297 9664 1 20 . 1 1 69 69 GLU CB C 414 29.566 29.566 29.074 0.492 18297 9665 1 20 . 1 1 69 69 GLU H H 414 8.326 8.326 8.349 -0.023 18297 9666 1 20 . 1 1 70 70 LEU N N 415 119.008 119.008 117.438 1.570 18297 9667 1 20 . 1 1 70 70 LEU HA H 415 4.218 4.218 4.204 0.014 18297 9668 1 20 . 1 1 70 70 LEU C C 415 176.505 176.505 177.180 -0.675 18297 9669 1 20 . 1 1 70 70 LEU CA C 415 55.822 55.822 55.050 0.772 18297 9670 1 20 . 1 1 70 70 LEU CB C 415 43.012 43.012 41.935 1.077 18297 9671 1 20 . 1 1 70 70 LEU H H 415 7.993 7.993 7.441 0.552 18297 9672 1 20 . 1 1 71 71 GLY N N 416 105.578 105.578 106.385 -0.807 18297 9673 1 20 . 1 1 71 71 GLY C C 416 174.505 174.505 174.483 0.022 18297 9674 1 20 . 1 1 71 71 GLY CA C 416 45.191 45.191 45.047 0.144 18297 9675 1 20 . 1 1 71 71 GLY H H 416 7.880 7.880 7.760 0.120 18297 9676 1 20 . 1 1 72 72 LEU N N 417 119.201 119.201 120.669 -1.468 18297 9677 1 20 . 1 1 72 72 LEU HA H 417 4.599 4.599 4.939 -0.340 18297 9678 1 20 . 1 1 72 72 LEU C C 417 176.208 176.208 176.229 -0.021 18297 9679 1 20 . 1 1 72 72 LEU CA C 417 54.815 54.815 54.065 0.750 18297 9680 1 20 . 1 1 72 72 LEU CB C 417 41.867 41.867 43.004 -1.137 18297 9681 1 20 . 1 1 72 72 LEU H H 417 7.466 7.466 7.666 -0.200 18297 9682 1 20 . 1 1 73 73 VAL N N 418 112.871 112.871 121.165 -8.294 18297 9683 1 20 . 1 1 73 73 VAL HA H 418 4.782 4.782 4.575 0.207 18297 9684 1 20 . 1 1 73 73 VAL C C 418 174.804 174.804 174.614 0.190 18297 9685 1 20 . 1 1 73 73 VAL CA C 418 59.070 59.070 58.988 0.082 18297 9686 1 20 . 1 1 73 73 VAL CB C 418 35.557 35.557 36.114 -0.557 18297 9687 1 20 . 1 1 73 73 VAL H H 418 8.003 8.003 8.905 -0.902 18297 9688 1 20 . 1 1 74 74 ASP N N 419 119.972 119.972 121.715 -1.743 18297 9689 1 20 . 1 1 74 74 ASP HA H 419 3.593 3.593 4.698 -1.105 18297 9690 1 20 . 1 1 74 74 ASP C C 419 177.545 177.545 176.850 0.695 18297 9691 1 20 . 1 1 74 74 ASP CA C 419 56.419 56.419 55.055 1.364 18297 9692 1 20 . 1 1 74 74 ASP CB C 419 42.035 42.035 40.654 1.381 18297 9693 1 20 . 1 1 74 74 ASP H H 419 8.250 8.250 8.617 -0.367 18297 9694 1 20 . 1 1 75 75 GLY N N 420 116.020 116.020 112.372 3.648 18297 9695 1 20 . 1 1 75 75 GLY C C 420 173.763 173.763 173.869 -0.106 18297 9696 1 20 . 1 1 75 75 GLY CA C 420 45.354 45.354 44.627 0.727 18297 9697 1 20 . 1 1 75 75 GLY H H 420 8.704 8.704 8.859 -0.155 18297 9698 1 20 . 1 1 76 76 GLN N N 421 121.514 121.514 120.787 0.727 18297 9699 1 20 . 1 1 76 76 GLN HA H 421 4.048 4.048 4.197 -0.149 18297 9700 1 20 . 1 1 76 76 GLN C C 421 175.023 175.023 174.801 0.222 18297 9701 1 20 . 1 1 76 76 GLN CA C 421 56.709 56.709 56.071 0.638 18297 9702 1 20 . 1 1 76 76 GLN CB C 421 29.511 29.511 29.884 -0.373 18297 9703 1 20 . 1 1 76 76 GLN H H 421 7.867 7.867 7.540 0.327 18297 9704 1 20 . 1 1 77 77 GLU N N 422 123.859 123.859 123.757 0.102 18297 9705 1 20 . 1 1 77 77 GLU HA H 422 5.186 5.186 4.913 0.273 18297 9706 1 20 . 1 1 77 77 GLU C C 422 176.877 176.877 175.875 1.002 18297 9707 1 20 . 1 1 77 77 GLU CA C 422 55.786 55.786 55.699 0.087 18297 9708 1 20 . 1 1 77 77 GLU CB C 422 31.509 31.509 30.382 1.127 18297 9709 1 20 . 1 1 77 77 GLU H H 422 8.568 8.568 8.612 -0.044 18297 9710 1 20 . 1 1 78 78 LEU N N 423 125.867 125.867 127.237 -1.370 18297 9711 1 20 . 1 1 78 78 LEU HA H 423 5.080 5.080 4.561 0.519 18297 9712 1 20 . 1 1 78 78 LEU C C 423 174.470 174.470 174.549 -0.079 18297 9713 1 20 . 1 1 78 78 LEU CA C 423 53.686 53.686 53.497 0.189 18297 9714 1 20 . 1 1 78 78 LEU CB C 423 44.966 44.966 45.229 -0.263 18297 9715 1 20 . 1 1 78 78 LEU H H 423 9.313 9.313 9.140 0.173 18297 9716 1 20 . 1 1 79 79 ALA N N 424 126.044 126.044 129.317 -3.273 18297 9717 1 20 . 1 1 79 79 ALA HA H 424 5.206 5.206 4.862 0.344 18297 9718 1 20 . 1 1 79 79 ALA C C 424 176.786 176.786 175.500 1.286 18297 9719 1 20 . 1 1 79 79 ALA CA C 424 51.049 51.049 50.351 0.698 18297 9720 1 20 . 1 1 79 79 ALA CB C 424 20.453 20.453 20.346 0.107 18297 9721 1 20 . 1 1 79 79 ALA H H 424 8.918 8.918 9.192 -0.274 18297 9722 1 20 . 1 1 80 80 VAL N N 425 124.759 124.759 125.313 -0.554 18297 9723 1 20 . 1 1 80 80 VAL HA H 425 5.344 5.344 5.179 0.165 18297 9724 1 20 . 1 1 80 80 VAL C C 425 173.757 173.757 174.417 -0.660 18297 9725 1 20 . 1 1 80 80 VAL CA C 425 60.886 60.886 60.267 0.619 18297 9726 1 20 . 1 1 80 80 VAL CB C 425 34.908 34.908 33.596 1.312 18297 9727 1 20 . 1 1 80 80 VAL H H 425 9.357 9.357 8.926 0.431 18297 9728 1 20 . 1 1 81 81 ALA N N 426 129.353 129.353 129.971 -0.618 18297 9729 1 20 . 1 1 81 81 ALA HA H 426 5.045 5.045 4.802 0.243 18297 9730 1 20 . 1 1 81 81 ALA C C 426 175.938 175.938 175.256 0.682 18297 9731 1 20 . 1 1 81 81 ALA CA C 426 50.133 50.133 49.928 0.205 18297 9732 1 20 . 1 1 81 81 ALA CB C 426 22.758 22.758 22.852 -0.094 18297 9733 1 20 . 1 1 81 81 ALA H H 426 8.502 8.502 9.023 -0.521 18297 9734 1 20 . 1 1 82 82 ASP N N 427 120.165 120.165 121.693 -1.528 18297 9735 1 20 . 1 1 82 82 ASP HA H 427 5.100 5.100 4.930 0.170 18297 9736 1 20 . 1 1 82 82 ASP C C 427 176.669 176.669 176.169 0.500 18297 9737 1 20 . 1 1 82 82 ASP CA C 427 54.491 54.491 53.564 0.927 18297 9738 1 20 . 1 1 82 82 ASP CB C 427 46.891 46.891 44.222 2.669 18297 9739 1 20 . 1 1 82 82 ASP H H 427 8.906 8.906 8.541 0.365 18297 9740 1 20 . 1 1 83 83 VAL N N 428 119.201 119.201 116.454 2.747 18297 9741 1 20 . 1 1 83 83 VAL HA H 428 4.153 4.153 4.091 0.062 18297 9742 1 20 . 1 1 83 83 VAL C C 428 177.085 177.085 176.822 0.263 18297 9743 1 20 . 1 1 83 83 VAL CA C 428 63.992 63.992 64.505 -0.513 18297 9744 1 20 . 1 1 83 83 VAL CB C 428 31.772 31.772 31.766 0.006 18297 9745 1 20 . 1 1 83 83 VAL H H 428 8.114 8.114 8.633 -0.519 18297 9746 1 20 . 1 1 84 84 THR N N 429 110.173 110.173 109.908 0.265 18297 9747 1 20 . 1 1 84 84 THR HA H 429 4.235 4.235 4.437 -0.202 18297 9748 1 20 . 1 1 84 84 THR C C 429 174.905 174.905 174.369 0.536 18297 9749 1 20 . 1 1 84 84 THR CA C 429 63.533 63.533 62.838 0.695 18297 9750 1 20 . 1 1 84 84 THR CB C 429 70.613 70.613 69.076 1.538 18297 9751 1 20 . 1 1 84 84 THR H H 429 7.899 7.899 7.911 -0.012 18297 9752 1 20 . 1 1 85 85 THR N N 430 116.438 116.438 117.031 -0.593 18297 9753 1 20 . 1 1 85 85 THR HA H 430 5.132 5.132 4.673 0.459 18297 9754 1 20 . 1 1 85 85 THR C C 430 173.160 173.160 172.874 0.286 18297 9755 1 20 . 1 1 85 85 THR CA C 430 57.863 57.863 59.255 -1.392 18297 9756 1 20 . 1 1 85 85 THR CB C 430 71.050 71.050 70.751 0.299 18297 9757 1 20 . 1 1 85 85 THR H H 430 7.810 7.810 7.274 0.536 18297 9758 1 20 . 1 1 86 86 PRO HA H 431 4.582 4.582 4.355 0.227 18297 9759 1 20 . 1 1 86 86 PRO CA C 431 64.086 64.086 63.594 0.492 18297 9760 1 20 . 1 1 86 86 PRO CB C 431 31.995 31.995 32.142 -0.147 18297 9761 1 20 . 1 1 87 87 GLN N N 432 117.241 117.241 118.221 -0.980 18297 9762 1 20 . 1 1 87 87 GLN HA H 432 4.618 4.618 4.401 0.217 18297 9763 1 20 . 1 1 87 87 GLN C C 432 175.653 175.653 175.292 0.361 18297 9764 1 20 . 1 1 87 87 GLN CA C 432 54.491 54.491 55.634 -1.143 18297 9765 1 20 . 1 1 87 87 GLN CB C 432 30.799 30.799 29.614 1.185 18297 9766 1 20 . 1 1 87 87 GLN H H 432 7.786 7.786 7.898 -0.112 18297 9767 1 20 . 1 1 88 88 THR N N 433 119.651 119.651 117.214 2.437 18297 9768 1 20 . 1 1 88 88 THR HA H 433 4.440 4.440 4.776 -0.336 18297 9769 1 20 . 1 1 88 88 THR C C 433 173.939 173.939 174.417 -0.478 18297 9770 1 20 . 1 1 88 88 THR CA C 433 63.792 63.792 61.622 2.170 18297 9771 1 20 . 1 1 88 88 THR CB C 433 70.357 70.357 69.649 0.708 18297 9772 1 20 . 1 1 88 88 THR H H 433 8.460 8.460 8.258 0.202 18297 9773 1 20 . 1 1 89 89 VAL N N 434 128.068 128.068 121.913 6.155 18297 9774 1 20 . 1 1 89 89 VAL HA H 434 4.153 4.153 4.648 -0.495 18297 9775 1 20 . 1 1 89 89 VAL C C 434 174.083 174.083 174.528 -0.445 18297 9776 1 20 . 1 1 89 89 VAL CA C 434 61.827 61.827 60.627 1.200 18297 9777 1 20 . 1 1 89 89 VAL CB C 434 33.937 33.937 33.728 0.208 18297 9778 1 20 . 1 1 89 89 VAL H H 434 9.275 9.275 9.200 0.075 18297 9779 1 20 . 1 1 90 90 LEU N N 435 125.755 125.755 124.447 1.308 18297 9780 1 20 . 1 1 90 90 LEU HA H 435 5.304 5.304 5.210 0.094 18297 9781 1 20 . 1 1 90 90 LEU C C 435 176.455 176.455 176.500 -0.045 18297 9782 1 20 . 1 1 90 90 LEU CA C 435 53.396 53.396 54.030 -0.634 18297 9783 1 20 . 1 1 90 90 LEU CB C 435 44.023 44.023 43.011 1.012 18297 9784 1 20 . 1 1 90 90 LEU H H 435 8.169 8.169 8.604 -0.435 18297 9785 1 20 . 1 1 91 91 PHE N N 436 120.743 120.743 123.457 -2.714 18297 9786 1 20 . 1 1 91 91 PHE HA H 436 5.314 5.314 5.613 -0.299 18297 9787 1 20 . 1 1 91 91 PHE C C 436 174.788 174.788 175.136 -0.348 18297 9788 1 20 . 1 1 91 91 PHE CA C 436 56.327 56.327 55.584 0.743 18297 9789 1 20 . 1 1 91 91 PHE CB C 436 43.330 43.330 43.175 0.155 18297 9790 1 20 . 1 1 91 91 PHE H H 436 9.222 9.222 9.624 -0.402 18297 9791 1 20 . 1 1 92 92 LYS N N 437 123.120 123.120 121.910 1.210 18297 9792 1 20 . 1 1 92 92 LYS HA H 437 4.708 4.708 5.211 -0.503 18297 9793 1 20 . 1 1 92 92 LYS C C 437 174.606 174.606 174.956 -0.350 18297 9794 1 20 . 1 1 92 92 LYS CA C 437 55.139 55.139 55.151 -0.012 18297 9795 1 20 . 1 1 92 92 LYS CB C 437 34.269 34.269 35.086 -0.816 18297 9796 1 20 . 1 1 92 92 LYS H H 437 8.908 8.908 9.174 -0.266 18297 9797 1 20 . 1 1 93 93 LEU N N 438 128.422 128.422 127.213 1.209 18297 9798 1 20 . 1 1 93 93 LEU HA H 438 4.480 4.480 4.860 -0.380 18297 9799 1 20 . 1 1 93 93 LEU C C 438 175.327 175.327 174.598 0.729 18297 9800 1 20 . 1 1 93 93 LEU CA C 438 55.139 55.139 53.633 1.506 18297 9801 1 20 . 1 1 93 93 LEU CB C 438 43.976 43.976 43.953 0.023 18297 9802 1 20 . 1 1 93 93 LEU H H 438 8.755 8.755 8.580 0.175 18297 9803 1 20 . 1 1 94 94 HIS N N 439 123.859 123.859 126.748 -2.889 18297 9804 1 20 . 1 1 94 94 HIS HA H 439 5.180 5.180 4.846 0.334 18297 9805 1 20 . 1 1 94 94 HIS C C 439 174.297 174.297 173.628 0.669 18297 9806 1 20 . 1 1 94 94 HIS CA C 439 53.396 53.396 54.222 -0.826 18297 9807 1 20 . 1 1 94 94 HIS CB C 439 30.786 30.786 32.728 -1.942 18297 9808 1 20 . 1 1 94 94 HIS H H 439 8.891 8.891 9.244 -0.353 18297 9809 1 20 . 1 1 95 95 PHE N N 440 123.544 123.544 123.637 -0.093 18297 9810 1 20 . 1 1 95 95 PHE HA H 440 6.231 6.231 5.843 0.388 18297 9811 1 20 . 1 1 95 95 PHE C C 440 178.229 178.229 176.626 1.603 18297 9812 1 20 . 1 1 95 95 PHE CA C 440 53.690 53.690 57.337 -3.647 18297 9813 1 20 . 1 1 95 95 PHE CB C 440 39.477 39.477 40.455 -0.978 18297 9814 1 20 . 1 1 95 95 PHE H H 440 8.896 8.896 8.852 0.044 18297 9815 1 20 . 1 1 96 96 THR N N 441 114.382 114.382 119.029 -4.647 18297 9816 1 20 . 1 1 96 96 THR HA H 441 4.617 4.617 4.692 -0.075 18297 9817 1 20 . 1 1 96 96 THR C C 441 173.867 173.867 173.949 -0.082 18297 9818 1 20 . 1 1 96 96 THR CA C 441 61.327 61.327 60.906 0.421 18297 9819 1 20 . 1 1 96 96 THR CB C 441 69.561 69.561 69.842 -0.281 18297 9820 1 20 . 1 1 96 96 THR H H 441 7.973 7.973 8.988 -1.015 18297 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 81 3.033 0.401 3.025 18297 2 1 1 "Average Difference" HA 88 0.304 -0.035 0.304 18297 3 1 1 "Average Difference" C 82 0.921 -0.168 0.911 18297 4 1 1 "Average Difference" CA 84 0.993 -0.267 0.962 18297 5 1 1 "Average Difference" CB 81 1.002 -0.168 0.994 18297 6 1 1 "Average Difference" HN 81 0.516 -0.033 0.518 18297 7 1 2 "Average Difference" N 81 2.911 0.459 2.893 18297 8 1 2 "Average Difference" HA 88 0.311 -0.038 0.311 18297 9 1 2 "Average Difference" C 82 0.890 -0.135 0.885 18297 10 1 2 "Average Difference" CA 84 1.004 -0.282 0.969 18297 11 1 2 "Average Difference" CB 81 1.032 -0.225 1.013 18297 12 1 2 "Average Difference" HN 81 0.576 -0.123 0.566 18297 13 1 3 "Average Difference" N 81 3.326 0.251 3.337 18297 14 1 3 "Average Difference" HA 88 0.319 -0.013 0.321 18297 15 1 3 "Average Difference" C 82 0.888 -0.158 0.879 18297 16 1 3 "Average Difference" CA 84 1.090 -0.297 1.055 18297 17 1 3 "Average Difference" CB 81 0.977 -0.203 0.962 18297 18 1 3 "Average Difference" HN 81 0.550 -0.127 0.538 18297 19 1 4 "Average Difference" N 81 3.290 0.363 3.290 18297 20 1 4 "Average Difference" HA 88 0.292 -0.019 0.293 18297 21 1 4 "Average Difference" C 82 0.859 -0.157 0.849 18297 22 1 4 "Average Difference" CA 84 1.075 -0.346 1.024 18297 23 1 4 "Average Difference" CB 81 1.016 -0.171 1.008 18297 24 1 4 "Average Difference" HN 81 0.571 -0.084 0.569 18297 25 1 5 "Average Difference" N 81 2.722 0.452 2.701 18297 26 1 5 "Average Difference" HA 88 0.326 -0.010 0.328 18297 27 1 5 "Average Difference" C 82 0.885 -0.065 0.888 18297 28 1 5 "Average Difference" CA 84 1.012 -0.255 0.985 18297 29 1 5 "Average Difference" CB 81 0.972 -0.218 0.953 18297 30 1 5 "Average Difference" HN 81 0.530 -0.094 0.525 18297 31 1 6 "Average Difference" N 81 3.159 0.522 3.135 18297 32 1 6 "Average Difference" HA 88 0.328 -0.050 0.326 18297 33 1 6 "Average Difference" C 82 0.908 -0.139 0.903 18297 34 1 6 "Average Difference" CA 84 0.951 -0.238 0.926 18297 35 1 6 "Average Difference" CB 81 1.023 -0.077 1.026 18297 36 1 6 "Average Difference" HN 81 0.558 -0.153 0.540 18297 37 1 7 "Average Difference" N 81 2.848 0.193 2.860 18297 38 1 7 "Average Difference" HA 88 0.320 -0.008 0.322 18297 39 1 7 "Average Difference" C 82 0.977 -0.126 0.975 18297 40 1 7 "Average Difference" CA 84 1.081 -0.428 0.999 18297 41 1 7 "Average Difference" CB 81 0.971 -0.145 0.966 18297 42 1 7 "Average Difference" HN 81 0.577 -0.067 0.577 18297 43 1 8 "Average Difference" N 81 3.006 0.712 2.939 18297 44 1 8 "Average Difference" HA 88 0.298 0.016 0.299 18297 45 1 8 "Average Difference" C 82 0.948 -0.183 0.936 18297 46 1 8 "Average Difference" CA 84 1.031 -0.269 1.001 18297 47 1 8 "Average Difference" CB 81 1.062 -0.120 1.061 18297 48 1 8 "Average Difference" HN 81 0.551 -0.036 0.553 18297 49 1 9 "Average Difference" N 81 3.044 0.501 3.021 18297 50 1 9 "Average Difference" HA 88 0.310 -0.012 0.311 18297 51 1 9 "Average Difference" C 82 0.856 -0.060 0.859 18297 52 1 9 "Average Difference" CA 84 1.150 -0.333 1.107 18297 53 1 9 "Average Difference" CB 81 1.160 -0.319 1.123 18297 54 1 9 "Average Difference" HN 81 0.583 -0.070 0.582 18297 55 1 10 "Average Difference" N 81 2.951 0.137 2.966 18297 56 1 10 "Average Difference" HA 88 0.334 -0.024 0.335 18297 57 1 10 "Average Difference" C 82 0.862 -0.067 0.864 18297 58 1 10 "Average Difference" CA 84 0.974 -0.256 0.945 18297 59 1 10 "Average Difference" CB 81 1.085 -0.273 1.057 18297 60 1 10 "Average Difference" HN 81 0.578 -0.080 0.576 18297 61 1 11 "Average Difference" N 81 2.891 0.331 2.890 18297 62 1 11 "Average Difference" HA 88 0.351 -0.033 0.352 18297 63 1 11 "Average Difference" C 82 0.902 -0.176 0.890 18297 64 1 11 "Average Difference" CA 84 1.046 -0.216 1.029 18297 65 1 11 "Average Difference" CB 81 0.956 -0.123 0.954 18297 66 1 11 "Average Difference" HN 81 0.530 -0.130 0.517 18297 67 1 12 "Average Difference" N 81 3.112 0.448 3.099 18297 68 1 12 "Average Difference" HA 88 0.313 -0.017 0.314 18297 69 1 12 "Average Difference" C 82 0.914 -0.121 0.912 18297 70 1 12 "Average Difference" CA 84 1.116 -0.278 1.087 18297 71 1 12 "Average Difference" CB 81 0.960 -0.165 0.952 18297 72 1 12 "Average Difference" HN 81 0.530 -0.095 0.524 18297 73 1 13 "Average Difference" N 81 2.963 0.486 2.941 18297 74 1 13 "Average Difference" HA 88 0.307 -0.036 0.307 18297 75 1 13 "Average Difference" C 82 0.927 -0.201 0.911 18297 76 1 13 "Average Difference" CA 84 1.026 -0.273 0.995 18297 77 1 13 "Average Difference" CB 81 0.936 -0.145 0.930 18297 78 1 13 "Average Difference" HN 81 0.569 -0.116 0.561 18297 79 1 14 "Average Difference" N 81 2.763 0.181 2.775 18297 80 1 14 "Average Difference" HA 88 0.303 -0.004 0.305 18297 81 1 14 "Average Difference" C 82 0.901 -0.100 0.901 18297 82 1 14 "Average Difference" CA 84 1.014 -0.284 0.980 18297 83 1 14 "Average Difference" CB 81 0.958 -0.152 0.952 18297 84 1 14 "Average Difference" HN 81 0.538 -0.046 0.539 18297 85 1 15 "Average Difference" N 81 3.298 0.465 3.285 18297 86 1 15 "Average Difference" HA 88 0.300 -0.037 0.299 18297 87 1 15 "Average Difference" C 82 0.930 -0.102 0.930 18297 88 1 15 "Average Difference" CA 84 1.040 -0.217 1.023 18297 89 1 15 "Average Difference" CB 81 1.001 -0.176 0.992 18297 90 1 15 "Average Difference" HN 81 0.587 -0.094 0.583 18297 91 1 16 "Average Difference" N 81 3.109 0.218 3.121 18297 92 1 16 "Average Difference" HA 88 0.324 -0.022 0.325 18297 93 1 16 "Average Difference" C 82 0.859 -0.216 0.836 18297 94 1 16 "Average Difference" CA 84 0.994 -0.331 0.942 18297 95 1 16 "Average Difference" CB 81 1.049 -0.131 1.048 18297 96 1 16 "Average Difference" HN 81 0.529 -0.075 0.526 18297 97 1 17 "Average Difference" N 81 3.055 0.559 3.023 18297 98 1 17 "Average Difference" HA 88 0.298 -0.025 0.298 18297 99 1 17 "Average Difference" C 82 0.896 -0.144 0.889 18297 100 1 17 "Average Difference" CA 84 0.982 -0.276 0.948 18297 101 1 17 "Average Difference" CB 81 0.909 -0.176 0.897 18297 102 1 17 "Average Difference" HN 81 0.517 -0.063 0.516 18297 103 1 18 "Average Difference" N 81 2.996 0.706 2.930 18297 104 1 18 "Average Difference" HA 88 0.326 -0.013 0.327 18297 105 1 18 "Average Difference" C 82 0.921 -0.120 0.919 18297 106 1 18 "Average Difference" CA 84 1.053 -0.275 1.022 18297 107 1 18 "Average Difference" CB 81 0.928 -0.183 0.916 18297 108 1 18 "Average Difference" HN 81 0.554 -0.071 0.553 18297 109 1 19 "Average Difference" N 81 3.044 0.303 3.048 18297 110 1 19 "Average Difference" HA 88 0.291 -0.014 0.293 18297 111 1 19 "Average Difference" C 82 0.859 -0.231 0.833 18297 112 1 19 "Average Difference" CA 84 1.121 -0.328 1.079 18297 113 1 19 "Average Difference" CB 81 0.944 -0.194 0.929 18297 114 1 19 "Average Difference" HN 81 0.558 -0.098 0.553 18297 115 1 20 "Average Difference" N 81 3.035 0.313 3.037 18297 116 1 20 "Average Difference" HA 88 0.337 -0.016 0.339 18297 117 1 20 "Average Difference" C 82 0.878 -0.179 0.865 18297 118 1 20 "Average Difference" CA 84 1.055 -0.279 1.023 18297 119 1 20 "Average Difference" CB 81 1.020 -0.230 1.000 18297 120 1 20 "Average Difference" HN 81 0.522 -0.064 0.521 18297 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 18297 _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 2 2 SER HA H 347 4.570 4.570 4.694 -0.124 18297 2 1 . 1 1 2 2 SER C C 347 174.335 174.335 174.557 -0.222 18297 3 1 . 1 1 2 2 SER CA C 347 58.350 58.350 57.631 0.719 18297 4 1 . 1 1 2 2 SER CB C 347 63.999 63.999 65.249 -1.250 18297 5 1 . 1 1 3 3 GLN N N 348 122.478 122.478 121.815 0.663 18297 6 1 . 1 1 3 3 GLN HA H 348 4.430 4.430 4.403 0.027 18297 7 1 . 1 1 3 3 GLN C C 348 175.651 175.651 175.840 -0.189 18297 8 1 . 1 1 3 3 GLN CA C 348 55.743 55.743 56.022 -0.279 18297 9 1 . 1 1 3 3 GLN CB C 348 29.750 29.750 29.169 0.581 18297 10 1 . 1 1 3 3 GLN H H 348 8.532 8.532 8.606 -0.074 18297 11 1 . 1 1 4 4 LEU N N 349 125.369 125.369 121.689 3.680 18297 12 1 . 1 1 4 4 LEU HA H 349 4.634 4.634 4.632 0.002 18297 13 1 . 1 1 4 4 LEU C C 349 175.324 175.324 175.022 0.302 18297 14 1 . 1 1 4 4 LEU CA C 349 53.197 53.197 52.443 0.754 18297 15 1 . 1 1 4 4 LEU CB C 349 41.867 41.867 41.336 0.531 18297 16 1 . 1 1 4 4 LEU H H 349 8.403 8.403 7.563 0.840 18297 17 1 . 1 1 5 5 PRO HA H 350 4.360 4.360 4.519 -0.159 18297 18 1 . 1 1 5 5 PRO C C 350 176.639 176.639 175.908 0.731 18297 19 1 . 1 1 5 5 PRO CA C 350 62.748 62.748 62.510 0.238 18297 20 1 . 1 1 5 5 PRO CB C 350 32.319 32.319 32.280 0.039 18297 21 1 . 1 1 6 6 GLN N N 351 121.707 121.707 122.832 -1.125 18297 22 1 . 1 1 6 6 GLN HA H 351 4.428 4.428 4.452 -0.024 18297 23 1 . 1 1 6 6 GLN C C 351 175.898 175.898 175.079 0.819 18297 24 1 . 1 1 6 6 GLN CA C 351 55.678 55.678 54.637 1.041 18297 25 1 . 1 1 6 6 GLN CB C 351 30.054 30.054 30.786 -0.732 18297 26 1 . 1 1 6 6 GLN H H 351 8.255 8.255 8.593 -0.338 18297 27 1 . 1 1 7 7 ASN N N 352 123.275 123.275 121.017 2.258 18297 28 1 . 1 1 7 7 ASN HA H 352 5.470 5.470 5.582 -0.112 18297 29 1 . 1 1 7 7 ASN C C 352 175.324 175.324 174.952 0.372 18297 30 1 . 1 1 7 7 ASN CA C 352 54.009 54.009 52.292 1.717 18297 31 1 . 1 1 7 7 ASN CB C 352 40.414 40.414 40.417 -0.003 18297 32 1 . 1 1 7 7 ASN H H 352 8.860 8.860 8.603 0.257 18297 33 1 . 1 1 8 8 ILE N N 353 119.104 119.104 115.729 3.375 18297 34 1 . 1 1 8 8 ILE HA H 353 4.625 4.625 4.698 -0.073 18297 35 1 . 1 1 8 8 ILE C C 353 173.669 173.669 173.907 -0.238 18297 36 1 . 1 1 8 8 ILE CA C 353 60.201 60.201 59.649 0.552 18297 37 1 . 1 1 8 8 ILE CB C 353 41.404 41.404 41.842 -0.438 18297 38 1 . 1 1 8 8 ILE H H 353 8.808 8.808 9.020 -0.212 18297 39 1 . 1 1 9 9 GLN N N 354 122.671 122.671 123.511 -0.840 18297 40 1 . 1 1 9 9 GLN HA H 354 5.586 5.586 5.390 0.196 18297 41 1 . 1 1 9 9 GLN C C 354 174.274 174.274 174.331 -0.057 18297 42 1 . 1 1 9 9 GLN CA C 354 54.491 54.491 54.282 0.209 18297 43 1 . 1 1 9 9 GLN CB C 354 31.120 31.120 31.365 -0.245 18297 44 1 . 1 1 9 9 GLN H H 354 8.021 8.021 8.269 -0.248 18297 45 1 . 1 1 10 10 PHE N N 355 120.679 120.679 123.759 -3.080 18297 46 1 . 1 1 10 10 PHE HA H 355 4.635 4.635 4.734 -0.099 18297 47 1 . 1 1 10 10 PHE C C 355 174.715 174.715 174.454 0.261 18297 48 1 . 1 1 10 10 PHE CA C 355 57.226 57.226 56.572 0.654 18297 49 1 . 1 1 10 10 PHE CB C 355 45.969 45.969 43.633 2.336 18297 50 1 . 1 1 10 10 PHE H H 355 8.403 8.403 9.204 -0.801 18297 51 1 . 1 1 11 11 SER N N 356 116.116 116.116 117.564 -1.448 18297 52 1 . 1 1 11 11 SER HA H 356 5.020 5.020 5.234 -0.214 18297 53 1 . 1 1 11 11 SER C C 356 174.917 174.917 174.290 0.627 18297 54 1 . 1 1 11 11 SER CA C 356 56.110 56.110 56.024 0.086 18297 55 1 . 1 1 11 11 SER CB C 356 63.879 63.879 63.323 0.556 18297 56 1 . 1 1 11 11 SER H H 356 8.757 8.757 8.685 0.072 18297 57 1 . 1 1 12 12 PRO HA H 357 3.776 3.776 4.277 -0.501 18297 58 1 . 1 1 12 12 PRO C C 357 176.155 176.155 177.644 -1.489 18297 59 1 . 1 1 12 12 PRO CA C 357 64.886 64.886 65.201 -0.315 18297 60 1 . 1 1 12 12 PRO CB C 357 31.222 31.222 31.611 -0.389 18297 61 1 . 1 1 13 13 SER N N 358 107.859 107.859 111.419 -3.560 18297 62 1 . 1 1 13 13 SER HA H 358 4.388 4.388 4.455 -0.067 18297 63 1 . 1 1 13 13 SER C C 358 173.972 173.972 174.207 -0.235 18297 64 1 . 1 1 13 13 SER CA C 358 57.728 57.728 58.419 -0.691 18297 65 1 . 1 1 13 13 SER CB C 358 63.879 63.879 62.827 1.052 18297 66 1 . 1 1 13 13 SER H H 358 7.636 7.636 8.117 -0.481 18297 67 1 . 1 1 14 14 ALA N N 359 126.012 126.012 125.299 0.713 18297 68 1 . 1 1 14 14 ALA HA H 359 4.320 4.320 4.483 -0.163 18297 69 1 . 1 1 14 14 ALA C C 359 177.288 177.288 176.154 1.134 18297 70 1 . 1 1 14 14 ALA CA C 359 52.849 52.849 52.103 0.746 18297 71 1 . 1 1 14 14 ALA CB C 359 19.372 19.372 20.280 -0.908 18297 72 1 . 1 1 14 14 ALA H H 359 7.937 7.937 8.057 -0.120 18297 73 1 . 1 1 15 15 LYS N N 360 119.699 119.699 121.937 -2.238 18297 74 1 . 1 1 15 15 LYS HA H 360 4.751 4.751 4.729 0.022 18297 75 1 . 1 1 15 15 LYS C C 360 179.638 179.638 177.579 2.059 18297 76 1 . 1 1 15 15 LYS CA C 360 54.815 54.815 55.040 -0.225 18297 77 1 . 1 1 15 15 LYS CB C 360 33.127 33.127 33.630 -0.503 18297 78 1 . 1 1 15 15 LYS H H 360 8.523 8.523 8.875 -0.352 18297 79 1 . 1 1 16 16 LEU N N 361 123.297 123.297 123.714 -0.417 18297 80 1 . 1 1 16 16 LEU HA H 361 3.828 3.828 3.929 -0.102 18297 81 1 . 1 1 16 16 LEU C C 361 178.714 178.714 178.169 0.545 18297 82 1 . 1 1 16 16 LEU CA C 361 58.321 58.321 58.133 0.188 18297 83 1 . 1 1 16 16 LEU CB C 361 40.240 40.240 41.712 -1.472 18297 84 1 . 1 1 16 16 LEU H H 361 8.383 8.383 8.329 0.054 18297 85 1 . 1 1 17 17 GLN N N 362 117.900 117.900 118.308 -0.408 18297 86 1 . 1 1 17 17 GLN HA H 362 3.621 3.621 3.921 -0.300 18297 87 1 . 1 1 17 17 GLN C C 362 176.370 176.370 178.062 -1.692 18297 88 1 . 1 1 17 17 GLN CA C 362 58.547 58.547 59.153 -0.606 18297 89 1 . 1 1 17 17 GLN CB C 362 29.442 29.442 28.168 1.274 18297 90 1 . 1 1 17 17 GLN H H 362 8.766 8.766 7.873 0.893 18297 91 1 . 1 1 18 18 GLU N N 363 116.341 116.341 119.315 -2.974 18297 92 1 . 1 1 18 18 GLU HA H 363 4.201 4.201 4.209 -0.008 18297 93 1 . 1 1 18 18 GLU C C 363 180.135 180.135 179.176 0.959 18297 94 1 . 1 1 18 18 GLU CA C 363 59.669 59.669 59.082 0.587 18297 95 1 . 1 1 18 18 GLU CB C 363 29.870 29.870 29.070 0.800 18297 96 1 . 1 1 18 18 GLU H H 363 7.783 7.783 8.095 -0.312 18297 97 1 . 1 1 19 19 VAL N N 364 120.647 120.647 119.720 0.927 18297 98 1 . 1 1 19 19 VAL HA H 364 3.421 3.421 3.549 -0.128 18297 99 1 . 1 1 19 19 VAL C C 364 177.380 177.380 177.975 -0.595 18297 100 1 . 1 1 19 19 VAL CA C 364 65.433 65.433 65.897 -0.464 18297 101 1 . 1 1 19 19 VAL CB C 364 30.964 30.964 31.228 -0.264 18297 102 1 . 1 1 19 19 VAL H H 364 7.224 7.224 7.314 -0.090 18297 103 1 . 1 1 20 20 LEU N N 365 120.743 120.743 119.534 1.209 18297 104 1 . 1 1 20 20 LEU HA H 365 3.916 3.916 3.941 -0.025 18297 105 1 . 1 1 20 20 LEU C C 365 178.974 178.974 178.641 0.333 18297 106 1 . 1 1 20 20 LEU CA C 365 58.612 58.612 57.800 0.812 18297 107 1 . 1 1 20 20 LEU CB C 365 41.425 41.425 41.052 0.373 18297 108 1 . 1 1 20 20 LEU H H 365 7.517 7.517 7.503 0.014 18297 109 1 . 1 1 21 21 ASP N N 366 119.329 119.329 118.920 0.409 18297 110 1 . 1 1 21 21 ASP HA H 366 4.306 4.306 4.402 -0.096 18297 111 1 . 1 1 21 21 ASP C C 366 177.992 177.992 178.640 -0.648 18297 112 1 . 1 1 21 21 ASP CA C 366 57.405 57.405 57.401 0.004 18297 113 1 . 1 1 21 21 ASP CB C 366 40.265 40.265 41.028 -0.763 18297 114 1 . 1 1 21 21 ASP H H 366 8.805 8.805 7.931 0.874 18297 115 1 . 1 1 22 22 TYR N N 367 121.643 121.643 120.167 1.476 18297 116 1 . 1 1 22 22 TYR HA H 367 4.305 4.305 4.276 0.029 18297 117 1 . 1 1 22 22 TYR C C 367 177.701 177.701 177.044 0.657 18297 118 1 . 1 1 22 22 TYR CA C 367 61.777 61.777 60.570 1.207 18297 119 1 . 1 1 22 22 TYR CB C 367 38.801 38.801 38.886 -0.085 18297 120 1 . 1 1 22 22 TYR H H 367 7.718 7.718 7.961 -0.243 18297 121 1 . 1 1 23 23 LEU N N 368 118.414 118.414 118.902 -0.488 18297 122 1 . 1 1 23 23 LEU HA H 368 3.910 3.910 4.024 -0.114 18297 123 1 . 1 1 23 23 LEU C C 368 178.019 178.019 177.904 0.115 18297 124 1 . 1 1 23 23 LEU CA C 368 57.773 57.773 57.454 0.319 18297 125 1 . 1 1 23 23 LEU CB C 368 42.032 42.032 42.190 -0.158 18297 126 1 . 1 1 23 23 LEU H H 368 8.060 8.060 7.701 0.359 18297 127 1 . 1 1 24 24 THR N N 369 106.606 106.606 109.650 -3.044 18297 128 1 . 1 1 24 24 THR HA H 369 4.507 4.507 4.338 0.169 18297 129 1 . 1 1 24 24 THR C C 369 176.576 176.576 173.822 2.754 18297 130 1 . 1 1 24 24 THR CA C 369 63.245 63.245 62.948 0.297 18297 131 1 . 1 1 24 24 THR CB C 369 70.517 70.517 70.068 0.449 18297 132 1 . 1 1 24 24 THR H H 369 8.017 8.017 7.836 0.181 18297 133 1 . 1 1 25 25 ASN N N 370 118.847 118.847 119.260 -0.413 18297 134 1 . 1 1 25 25 ASN HA H 370 4.846 4.846 4.901 -0.055 18297 135 1 . 1 1 25 25 ASN C C 370 176.455 176.455 174.841 1.614 18297 136 1 . 1 1 25 25 ASN CA C 370 53.944 53.944 52.387 1.557 18297 137 1 . 1 1 25 25 ASN CB C 370 39.718 39.718 41.179 -1.461 18297 138 1 . 1 1 25 25 ASN H H 370 8.149 8.149 8.320 -0.171 18297 139 1 . 1 1 26 26 SER N N 371 116.888 116.888 118.338 -1.450 18297 140 1 . 1 1 26 26 SER HA H 371 4.375 4.375 4.442 -0.067 18297 141 1 . 1 1 26 26 SER C C 371 176.257 176.257 175.142 1.115 18297 142 1 . 1 1 26 26 SER CA C 371 59.603 59.603 61.028 -1.425 18297 143 1 . 1 1 26 26 SER CB C 371 63.792 63.792 63.558 0.234 18297 144 1 . 1 1 26 26 SER H H 371 7.889 7.889 8.695 -0.806 18297 145 1 . 1 1 27 27 ALA N N 372 128.743 128.743 121.862 6.881 18297 146 1 . 1 1 27 27 ALA HA H 372 4.228 4.228 4.441 -0.213 18297 147 1 . 1 1 27 27 ALA C C 372 178.538 178.538 179.863 -1.325 18297 148 1 . 1 1 27 27 ALA CA C 372 54.491 54.491 54.116 0.375 18297 149 1 . 1 1 27 27 ALA CB C 372 18.772 18.772 18.757 0.015 18297 150 1 . 1 1 27 27 ALA H H 372 8.836 8.836 8.049 0.787 18297 151 1 . 1 1 28 28 SER N N 373 110.751 110.751 114.648 -3.897 18297 152 1 . 1 1 28 28 SER HA H 373 4.426 4.426 4.389 0.037 18297 153 1 . 1 1 28 28 SER C C 373 174.548 174.548 175.384 -0.836 18297 154 1 . 1 1 28 28 SER CA C 373 59.415 59.415 60.457 -1.042 18297 155 1 . 1 1 28 28 SER CB C 373 63.394 63.394 63.224 0.169 18297 156 1 . 1 1 28 28 SER H H 373 8.069 8.069 8.549 -0.480 18297 157 1 . 1 1 29 29 LEU N N 374 122.012 122.012 120.495 1.517 18297 158 1 . 1 1 29 29 LEU HA H 374 4.465 4.465 4.499 -0.034 18297 159 1 . 1 1 29 29 LEU C C 374 175.716 175.716 176.739 -1.023 18297 160 1 . 1 1 29 29 LEU CA C 374 56.132 56.132 54.130 2.002 18297 161 1 . 1 1 29 29 LEU CB C 374 44.295 44.295 41.842 2.453 18297 162 1 . 1 1 29 29 LEU H H 374 7.547 7.547 7.780 -0.233 18297 163 1 . 1 1 30 30 GLN N N 375 116.052 116.052 118.571 -2.519 18297 164 1 . 1 1 30 30 GLN HA H 375 4.003 4.003 4.060 -0.057 18297 165 1 . 1 1 30 30 GLN C C 375 175.498 175.498 177.183 -1.685 18297 166 1 . 1 1 30 30 GLN CA C 375 56.434 56.434 58.459 -2.025 18297 167 1 . 1 1 30 30 GLN CB C 375 27.948 27.948 28.433 -0.485 18297 168 1 . 1 1 30 30 GLN H H 375 8.060 8.060 7.609 0.451 18297 169 1 . 1 1 31 31 MET N N 376 117.691 117.691 114.254 3.437 18297 170 1 . 1 1 31 31 MET HA H 376 4.283 4.283 4.649 -0.366 18297 171 1 . 1 1 31 31 MET C C 376 175.843 175.843 176.700 -0.857 18297 172 1 . 1 1 31 31 MET CA C 376 57.728 57.728 56.438 1.290 18297 173 1 . 1 1 31 31 MET CB C 376 33.451 33.451 33.190 0.261 18297 174 1 . 1 1 31 31 MET H H 376 8.211 8.211 8.024 0.187 18297 175 1 . 1 1 32 32 LYS N N 377 122.028 122.028 119.653 2.375 18297 176 1 . 1 1 32 32 LYS HA H 377 4.414 4.414 4.302 0.112 18297 177 1 . 1 1 32 32 LYS C C 377 177.837 177.837 176.402 1.435 18297 178 1 . 1 1 32 32 LYS CA C 377 58.052 58.052 56.464 1.588 18297 179 1 . 1 1 32 32 LYS CB C 377 34.994 34.994 32.204 2.790 18297 180 1 . 1 1 32 32 LYS H H 377 9.461 9.461 8.115 1.346 18297 181 1 . 1 1 33 33 SER N N 378 115.056 115.056 116.234 -1.178 18297 182 1 . 1 1 33 33 SER HA H 378 4.650 4.650 4.477 0.173 18297 183 1 . 1 1 33 33 SER C C 378 172.026 172.026 173.242 -1.216 18297 184 1 . 1 1 33 33 SER CA C 378 55.038 55.038 56.448 -1.410 18297 185 1 . 1 1 33 33 SER CB C 378 62.908 62.908 63.265 -0.357 18297 186 1 . 1 1 33 33 SER H H 378 10.101 10.101 7.540 2.561 18297 187 1 . 1 1 34 34 PRO HA H 379 5.043 5.043 4.426 0.617 18297 188 1 . 1 1 34 34 PRO C C 379 175.422 175.422 175.217 0.205 18297 189 1 . 1 1 34 34 PRO CA C 379 63.792 63.792 62.905 0.887 18297 190 1 . 1 1 34 34 PRO CB C 379 33.703 33.703 32.438 1.265 18297 191 1 . 1 1 35 35 ALA N N 380 121.498 121.498 123.172 -1.675 18297 192 1 . 1 1 35 35 ALA HA H 380 5.137 5.137 4.476 0.661 18297 193 1 . 1 1 35 35 ALA C C 380 177.313 177.313 175.717 1.596 18297 194 1 . 1 1 35 35 ALA CA C 380 50.661 50.661 50.385 0.276 18297 195 1 . 1 1 35 35 ALA CB C 380 22.118 22.118 21.851 0.266 18297 196 1 . 1 1 35 35 ALA H H 380 8.894 8.894 8.746 0.148 18297 197 1 . 1 1 36 36 ILE N N 381 120.470 120.470 123.472 -3.002 18297 198 1 . 1 1 36 36 ILE HA H 381 4.967 4.967 4.913 0.054 18297 199 1 . 1 1 36 36 ILE C C 381 175.314 175.314 175.339 -0.025 18297 200 1 . 1 1 36 36 ILE CA C 381 61.056 61.056 60.052 1.004 18297 201 1 . 1 1 36 36 ILE CB C 381 41.364 41.364 39.816 1.548 18297 202 1 . 1 1 36 36 ILE H H 381 9.038 9.038 8.641 0.397 18297 203 1 . 1 1 37 37 THR N N 382 123.297 123.297 123.176 0.121 18297 204 1 . 1 1 37 37 THR HA H 382 5.252 5.252 4.986 0.266 18297 205 1 . 1 1 37 37 THR C C 382 172.289 172.289 172.621 -0.332 18297 206 1 . 1 1 37 37 THR CA C 382 60.977 60.977 61.078 -0.101 18297 207 1 . 1 1 37 37 THR CB C 382 71.919 71.919 71.572 0.347 18297 208 1 . 1 1 37 37 THR H H 382 9.363 9.363 8.882 0.481 18297 209 1 . 1 1 38 38 ALA N N 383 123.340 123.340 127.336 -3.996 18297 210 1 . 1 1 38 38 ALA HA H 383 4.935 4.935 4.971 -0.036 18297 211 1 . 1 1 38 38 ALA C C 383 175.743 175.743 175.443 0.300 18297 212 1 . 1 1 38 38 ALA CA C 383 51.147 51.147 50.534 0.613 18297 213 1 . 1 1 38 38 ALA CB C 383 22.758 22.758 22.685 0.072 18297 214 1 . 1 1 38 38 ALA H H 383 8.896 8.896 8.981 -0.085 18297 215 1 . 1 1 39 39 THR N N 384 118.815 118.815 116.819 1.996 18297 216 1 . 1 1 39 39 THR HA H 384 4.892 4.892 5.169 -0.277 18297 217 1 . 1 1 39 39 THR C C 384 174.098 174.098 174.083 0.015 18297 218 1 . 1 1 39 39 THR CA C 384 62.310 62.310 61.320 0.990 18297 219 1 . 1 1 39 39 THR CB C 384 69.263 69.263 69.620 -0.357 18297 220 1 . 1 1 39 39 THR H H 384 8.968 8.968 8.597 0.371 18297 221 1 . 1 1 40 40 LEU N N 385 128.711 128.711 127.573 1.138 18297 222 1 . 1 1 40 40 LEU HA H 385 4.791 4.791 4.725 0.066 18297 223 1 . 1 1 40 40 LEU C C 385 176.479 176.479 176.195 0.284 18297 224 1 . 1 1 40 40 LEU CA C 385 53.944 53.944 54.001 -0.057 18297 225 1 . 1 1 40 40 LEU CB C 385 44.966 44.966 44.231 0.735 18297 226 1 . 1 1 40 40 LEU H H 385 8.667 8.667 9.111 -0.444 18297 227 1 . 1 1 41 41 GLU N N 386 124.470 124.470 126.197 -1.727 18297 228 1 . 1 1 41 41 GLU HA H 386 3.936 3.936 3.929 0.007 18297 229 1 . 1 1 41 41 GLU C C 386 176.878 176.878 176.406 0.472 18297 230 1 . 1 1 41 41 GLU CA C 386 57.226 57.226 56.709 0.517 18297 231 1 . 1 1 41 41 GLU CB C 386 27.735 27.735 28.525 -0.790 18297 232 1 . 1 1 41 41 GLU H H 386 9.547 9.547 9.389 0.158 18297 233 1 . 1 1 42 42 GLY N N 387 104.068 104.068 103.511 0.557 18297 234 1 . 1 1 42 42 GLY C C 387 173.993 173.993 173.886 0.107 18297 235 1 . 1 1 42 42 GLY CA C 387 45.596 45.596 45.079 0.517 18297 236 1 . 1 1 42 42 GLY H H 387 8.578 8.578 8.357 0.221 18297 237 1 . 1 1 43 43 LYS N N 388 120.422 120.422 121.693 -1.271 18297 238 1 . 1 1 43 43 LYS HA H 388 4.701 4.701 4.554 0.147 18297 239 1 . 1 1 43 43 LYS C C 388 175.054 175.054 174.978 0.076 18297 240 1 . 1 1 43 43 LYS CA C 388 54.491 54.491 54.696 -0.205 18297 241 1 . 1 1 43 43 LYS CB C 388 34.968 34.968 34.361 0.607 18297 242 1 . 1 1 43 43 LYS H H 388 7.826 7.826 7.761 0.065 18297 243 1 . 1 1 44 44 ASN N N 389 122.606 122.606 122.426 0.180 18297 244 1 . 1 1 44 44 ASN HA H 389 4.895 4.895 5.032 -0.137 18297 245 1 . 1 1 44 44 ASN C C 389 174.905 174.905 174.801 0.104 18297 246 1 . 1 1 44 44 ASN CA C 389 53.944 53.944 53.231 0.713 18297 247 1 . 1 1 44 44 ASN CB C 389 39.229 39.229 39.343 -0.114 18297 248 1 . 1 1 44 44 ASN H H 389 8.827 8.827 8.760 0.067 18297 249 1 . 1 1 45 45 ARG N N 390 125.867 125.867 126.471 -0.604 18297 250 1 . 1 1 45 45 ARG HA H 390 4.756 4.756 4.669 0.087 18297 251 1 . 1 1 45 45 ARG C C 390 175.224 175.224 175.103 0.121 18297 252 1 . 1 1 45 45 ARG CA C 390 54.491 54.491 54.477 0.014 18297 253 1 . 1 1 45 45 ARG CB C 390 32.973 32.973 32.577 0.396 18297 254 1 . 1 1 45 45 ARG H H 390 9.220 9.220 9.116 0.104 18297 255 1 . 1 1 46 46 THR N N 391 122.574 122.574 122.528 0.046 18297 256 1 . 1 1 46 46 THR HA H 391 4.289 4.289 4.406 -0.117 18297 257 1 . 1 1 46 46 THR C C 391 174.010 174.010 174.264 -0.254 18297 258 1 . 1 1 46 46 THR CA C 391 63.509 63.509 63.206 0.303 18297 259 1 . 1 1 46 46 THR CB C 391 68.716 68.716 69.178 -0.462 18297 260 1 . 1 1 46 46 THR H H 391 8.940 8.940 8.719 0.221 18297 261 1 . 1 1 47 47 LEU N N 392 128.647 128.647 126.825 1.822 18297 262 1 . 1 1 47 47 LEU HA H 392 4.339 4.339 4.463 -0.124 18297 263 1 . 1 1 47 47 LEU C C 392 176.670 176.670 176.645 0.025 18297 264 1 . 1 1 47 47 LEU CA C 392 56.132 56.132 55.734 0.398 18297 265 1 . 1 1 47 47 LEU CB C 392 42.678 42.678 42.845 -0.167 18297 266 1 . 1 1 47 47 LEU H H 392 9.096 9.096 8.524 0.572 18297 267 1 . 1 1 48 48 TYR N N 393 113.514 113.514 118.923 -5.409 18297 268 1 . 1 1 48 48 TYR HA H 393 4.618 4.618 4.416 0.202 18297 269 1 . 1 1 48 48 TYR C C 393 173.455 173.455 174.998 -1.543 18297 270 1 . 1 1 48 48 TYR CA C 393 59.415 59.415 58.850 0.565 18297 271 1 . 1 1 48 48 TYR CB C 393 41.384 41.384 39.954 1.430 18297 272 1 . 1 1 48 48 TYR H H 393 7.562 7.562 7.721 -0.158 18297 273 1 . 1 1 57 57 GLU N N 402 128.181 128.181 121.228 6.953 18297 274 1 . 1 1 57 57 GLU H H 402 8.645 8.645 8.472 0.173 18297 275 1 . 1 1 58 58 ARG N N 403 117.080 117.080 122.178 -5.098 18297 276 1 . 1 1 58 58 ARG HA H 403 4.302 4.302 4.409 -0.107 18297 277 1 . 1 1 58 58 ARG CA C 403 58.321 58.321 56.143 2.178 18297 278 1 . 1 1 58 58 ARG CB C 403 31.165 31.165 30.580 0.585 18297 279 1 . 1 1 58 58 ARG H H 403 8.278 8.278 8.363 -0.085 18297 280 1 . 1 1 59 59 THR N N 404 108.390 108.390 114.772 -6.383 18297 281 1 . 1 1 59 59 THR HA H 404 4.932 4.932 4.234 0.698 18297 282 1 . 1 1 59 59 THR H H 404 8.301 8.301 8.294 0.007 18297 283 1 . 1 1 60 60 ARG N N 405 126.639 126.639 120.385 6.254 18297 284 1 . 1 1 60 60 ARG H H 405 8.549 8.549 8.031 0.518 18297 285 1 . 1 1 61 61 PRO HA H 406 4.431 4.431 4.343 0.088 18297 286 1 . 1 1 61 61 PRO C C 406 178.434 178.434 177.721 0.713 18297 287 1 . 1 1 61 61 PRO CA C 406 65.980 65.980 65.068 0.912 18297 288 1 . 1 1 61 61 PRO CB C 406 31.348 31.348 31.941 -0.593 18297 289 1 . 1 1 62 62 ASN N N 407 114.574 114.574 117.017 -2.443 18297 290 1 . 1 1 62 62 ASN HA H 407 4.390 4.390 4.455 -0.065 18297 291 1 . 1 1 62 62 ASN C C 407 177.863 177.863 177.436 0.427 18297 292 1 . 1 1 62 62 ASN CA C 407 55.308 55.308 55.785 -0.477 18297 293 1 . 1 1 62 62 ASN CB C 407 37.530 37.530 37.522 0.008 18297 294 1 . 1 1 62 62 ASN H H 407 8.481 8.481 8.476 0.005 18297 295 1 . 1 1 63 63 LEU N N 408 115.667 115.667 118.112 -2.445 18297 296 1 . 1 1 63 63 LEU HA H 408 3.861 3.861 4.152 -0.291 18297 297 1 . 1 1 63 63 LEU C C 408 177.708 177.708 178.481 -0.773 18297 298 1 . 1 1 63 63 LEU CA C 408 57.667 57.667 57.256 0.411 18297 299 1 . 1 1 63 63 LEU CB C 408 41.706 41.706 41.632 0.074 18297 300 1 . 1 1 63 63 LEU H H 408 8.022 8.022 7.794 0.228 18297 301 1 . 1 1 64 64 SER N N 409 109.209 109.209 112.531 -3.322 18297 302 1 . 1 1 64 64 SER HA H 409 4.588 4.588 4.404 0.184 18297 303 1 . 1 1 64 64 SER C C 409 173.870 173.870 174.493 -0.623 18297 304 1 . 1 1 64 64 SER CA C 409 58.321 58.321 59.416 -1.095 18297 305 1 . 1 1 64 64 SER CB C 409 63.855 63.855 63.478 0.377 18297 306 1 . 1 1 64 64 SER H H 409 7.232 7.232 7.667 -0.435 18297 307 1 . 1 1 65 65 LYS N N 410 122.735 122.735 120.857 1.878 18297 308 1 . 1 1 65 65 LYS HA H 410 4.609 4.609 4.518 0.091 18297 309 1 . 1 1 65 65 LYS C C 410 175.946 175.946 175.935 0.011 18297 310 1 . 1 1 65 65 LYS CA C 410 55.463 55.463 54.779 0.684 18297 311 1 . 1 1 65 65 LYS CB C 410 34.422 34.422 33.839 0.583 18297 312 1 . 1 1 65 65 LYS H H 410 7.543 7.543 7.384 0.159 18297 313 1 . 1 1 66 66 THR N N 411 110.944 110.944 111.061 -0.117 18297 314 1 . 1 1 66 66 THR HA H 411 5.003 5.003 4.795 0.208 18297 315 1 . 1 1 66 66 THR C C 411 176.038 176.038 176.468 -0.430 18297 316 1 . 1 1 66 66 THR CA C 411 60.221 60.221 60.605 -0.384 18297 317 1 . 1 1 66 66 THR CB C 411 70.956 70.956 70.803 0.153 18297 318 1 . 1 1 66 66 THR H H 411 8.980 8.980 8.267 0.713 18297 319 1 . 1 1 67 67 LEU N N 412 118.076 118.076 121.124 -3.048 18297 320 1 . 1 1 67 67 LEU HA H 412 3.961 3.961 4.004 -0.043 18297 321 1 . 1 1 67 67 LEU C C 412 179.227 179.227 178.787 0.440 18297 322 1 . 1 1 67 67 LEU CA C 412 58.321 58.321 58.613 -0.292 18297 323 1 . 1 1 67 67 LEU CB C 412 39.914 39.914 41.499 -1.585 18297 324 1 . 1 1 67 67 LEU H H 412 8.434 8.434 8.887 -0.453 18297 325 1 . 1 1 68 68 LYS N N 413 116.373 116.373 119.653 -3.280 18297 326 1 . 1 1 68 68 LYS HA H 413 4.285 4.285 3.925 0.359 18297 327 1 . 1 1 68 68 LYS C C 413 181.338 181.338 179.505 1.833 18297 328 1 . 1 1 68 68 LYS CA C 413 58.868 58.868 59.238 -0.370 18297 329 1 . 1 1 68 68 LYS CB C 413 32.606 32.606 32.107 0.499 18297 330 1 . 1 1 68 68 LYS H H 413 8.171 8.171 7.652 0.519 18297 331 1 . 1 1 69 69 GLU N N 414 123.731 123.731 119.499 4.232 18297 332 1 . 1 1 69 69 GLU HA H 414 4.072 4.072 4.084 -0.012 18297 333 1 . 1 1 69 69 GLU C C 414 179.202 179.202 178.600 0.603 18297 334 1 . 1 1 69 69 GLU CA C 414 58.868 58.868 58.670 0.198 18297 335 1 . 1 1 69 69 GLU CB C 414 29.566 29.566 29.313 0.253 18297 336 1 . 1 1 69 69 GLU H H 414 8.326 8.326 7.853 0.473 18297 337 1 . 1 1 70 70 LEU N N 415 119.008 119.008 116.846 2.162 18297 338 1 . 1 1 70 70 LEU HA H 415 4.218 4.218 4.227 -0.009 18297 339 1 . 1 1 70 70 LEU C C 415 176.505 176.505 177.378 -0.873 18297 340 1 . 1 1 70 70 LEU CA C 415 55.822 55.822 55.224 0.598 18297 341 1 . 1 1 70 70 LEU CB C 415 43.012 43.012 42.098 0.914 18297 342 1 . 1 1 70 70 LEU H H 415 7.993 7.993 7.639 0.354 18297 343 1 . 1 1 71 71 GLY N N 416 105.578 105.578 106.184 -0.606 18297 344 1 . 1 1 71 71 GLY C C 416 174.505 174.505 174.536 -0.031 18297 345 1 . 1 1 71 71 GLY CA C 416 45.191 45.191 45.144 0.047 18297 346 1 . 1 1 71 71 GLY H H 416 7.880 7.880 7.601 0.279 18297 347 1 . 1 1 72 72 LEU N N 417 119.201 119.201 121.602 -2.401 18297 348 1 . 1 1 72 72 LEU HA H 417 4.599 4.599 4.701 -0.102 18297 349 1 . 1 1 72 72 LEU C C 417 176.208 176.208 176.030 0.178 18297 350 1 . 1 1 72 72 LEU CA C 417 54.815 54.815 54.811 0.004 18297 351 1 . 1 1 72 72 LEU CB C 417 41.867 41.867 43.153 -1.286 18297 352 1 . 1 1 72 72 LEU H H 417 7.466 7.466 7.699 -0.233 18297 353 1 . 1 1 73 73 VAL N N 418 112.871 112.871 119.837 -6.966 18297 354 1 . 1 1 73 73 VAL HA H 418 4.782 4.782 4.497 0.285 18297 355 1 . 1 1 73 73 VAL C C 418 174.804 174.804 174.755 0.049 18297 356 1 . 1 1 73 73 VAL CA C 418 59.070 59.070 59.106 -0.036 18297 357 1 . 1 1 73 73 VAL CB C 418 35.557 35.557 35.500 0.057 18297 358 1 . 1 1 73 73 VAL H H 418 8.003 8.003 8.230 -0.227 18297 359 1 . 1 1 74 74 ASP N N 419 119.972 119.972 121.817 -1.845 18297 360 1 . 1 1 74 74 ASP HA H 419 3.593 3.593 4.764 -1.171 18297 361 1 . 1 1 74 74 ASP C C 419 177.545 177.545 177.077 0.468 18297 362 1 . 1 1 74 74 ASP CA C 419 56.419 56.419 55.159 1.260 18297 363 1 . 1 1 74 74 ASP CB C 419 42.035 42.035 40.905 1.130 18297 364 1 . 1 1 74 74 ASP H H 419 8.250 8.250 8.594 -0.344 18297 365 1 . 1 1 75 75 GLY N N 420 116.020 116.020 112.676 3.344 18297 366 1 . 1 1 75 75 GLY C C 420 173.763 173.763 174.064 -0.301 18297 367 1 . 1 1 75 75 GLY CA C 420 45.354 45.354 44.727 0.627 18297 368 1 . 1 1 75 75 GLY H H 420 8.704 8.704 8.647 0.057 18297 369 1 . 1 1 76 76 GLN N N 421 121.514 121.514 121.032 0.482 18297 370 1 . 1 1 76 76 GLN HA H 421 4.048 4.048 4.282 -0.234 18297 371 1 . 1 1 76 76 GLN C C 421 175.023 175.023 174.967 0.056 18297 372 1 . 1 1 76 76 GLN CA C 421 56.709 56.709 55.655 1.054 18297 373 1 . 1 1 76 76 GLN CB C 421 29.511 29.511 29.849 -0.338 18297 374 1 . 1 1 76 76 GLN H H 421 7.867 7.867 7.513 0.354 18297 375 1 . 1 1 77 77 GLU N N 422 123.859 123.859 124.346 -0.487 18297 376 1 . 1 1 77 77 GLU HA H 422 5.186 5.186 5.132 0.054 18297 377 1 . 1 1 77 77 GLU C C 422 176.877 176.877 175.828 1.049 18297 378 1 . 1 1 77 77 GLU CA C 422 55.786 55.786 55.369 0.417 18297 379 1 . 1 1 77 77 GLU CB C 422 31.509 31.509 30.978 0.531 18297 380 1 . 1 1 77 77 GLU H H 422 8.568 8.568 8.576 -0.008 18297 381 1 . 1 1 78 78 LEU N N 423 125.867 125.867 125.630 0.237 18297 382 1 . 1 1 78 78 LEU HA H 423 5.080 5.080 4.606 0.475 18297 383 1 . 1 1 78 78 LEU C C 423 174.470 174.470 175.424 -0.954 18297 384 1 . 1 1 78 78 LEU CA C 423 53.686 53.686 53.632 0.054 18297 385 1 . 1 1 78 78 LEU CB C 423 44.966 44.966 44.225 0.741 18297 386 1 . 1 1 78 78 LEU H H 423 9.313 9.313 9.121 0.192 18297 387 1 . 1 1 79 79 ALA N N 424 126.044 126.044 126.744 -0.700 18297 388 1 . 1 1 79 79 ALA HA H 424 5.206 5.206 4.964 0.241 18297 389 1 . 1 1 79 79 ALA C C 424 176.786 176.786 175.552 1.234 18297 390 1 . 1 1 79 79 ALA CA C 424 51.049 51.049 50.548 0.501 18297 391 1 . 1 1 79 79 ALA CB C 424 20.453 20.453 20.572 -0.119 18297 392 1 . 1 1 79 79 ALA H H 424 8.918 8.918 8.952 -0.034 18297 393 1 . 1 1 80 80 VAL N N 425 124.759 124.759 123.996 0.763 18297 394 1 . 1 1 80 80 VAL HA H 425 5.344 5.344 5.149 0.195 18297 395 1 . 1 1 80 80 VAL C C 425 173.757 173.757 174.122 -0.365 18297 396 1 . 1 1 80 80 VAL CA C 425 60.886 60.886 60.011 0.875 18297 397 1 . 1 1 80 80 VAL CB C 425 34.908 34.908 34.956 -0.048 18297 398 1 . 1 1 80 80 VAL H H 425 9.357 9.357 8.786 0.571 18297 399 1 . 1 1 81 81 ALA N N 426 129.353 129.353 129.292 0.061 18297 400 1 . 1 1 81 81 ALA HA H 426 5.045 5.045 4.858 0.187 18297 401 1 . 1 1 81 81 ALA C C 426 175.938 175.938 175.173 0.765 18297 402 1 . 1 1 81 81 ALA CA C 426 50.133 50.133 50.031 0.102 18297 403 1 . 1 1 81 81 ALA CB C 426 22.758 22.758 22.559 0.199 18297 404 1 . 1 1 81 81 ALA H H 426 8.502 8.502 8.977 -0.475 18297 405 1 . 1 1 82 82 ASP N N 427 120.165 120.165 122.084 -1.919 18297 406 1 . 1 1 82 82 ASP HA H 427 5.100 5.100 4.981 0.119 18297 407 1 . 1 1 82 82 ASP C C 427 176.669 176.669 176.317 0.352 18297 408 1 . 1 1 82 82 ASP CA C 427 54.491 54.491 52.720 1.772 18297 409 1 . 1 1 82 82 ASP CB C 427 46.891 46.891 44.456 2.435 18297 410 1 . 1 1 82 82 ASP H H 427 8.906 8.906 8.258 0.647 18297 411 1 . 1 1 83 83 VAL N N 428 119.201 119.201 116.941 2.260 18297 412 1 . 1 1 83 83 VAL HA H 428 4.153 4.153 4.181 -0.028 18297 413 1 . 1 1 83 83 VAL C C 428 177.085 177.085 176.790 0.295 18297 414 1 . 1 1 83 83 VAL CA C 428 63.992 63.992 64.373 -0.381 18297 415 1 . 1 1 83 83 VAL CB C 428 31.772 31.772 31.777 -0.006 18297 416 1 . 1 1 83 83 VAL H H 428 8.114 8.114 8.635 -0.521 18297 417 1 . 1 1 84 84 THR N N 429 110.173 110.173 112.665 -2.492 18297 418 1 . 1 1 84 84 THR HA H 429 4.235 4.235 4.441 -0.206 18297 419 1 . 1 1 84 84 THR C C 429 174.905 174.905 174.716 0.189 18297 420 1 . 1 1 84 84 THR CA C 429 63.533 63.533 62.920 0.613 18297 421 1 . 1 1 84 84 THR CB C 429 70.613 70.613 69.454 1.159 18297 422 1 . 1 1 84 84 THR H H 429 7.899 7.899 8.502 -0.603 18297 423 1 . 1 1 85 85 THR N N 430 116.438 116.438 117.628 -1.190 18297 424 1 . 1 1 85 85 THR HA H 430 5.132 5.132 4.766 0.366 18297 425 1 . 1 1 85 85 THR C C 430 173.160 173.160 172.822 0.338 18297 426 1 . 1 1 85 85 THR CA C 430 57.863 57.863 59.357 -1.494 18297 427 1 . 1 1 85 85 THR CB C 430 71.050 71.050 70.557 0.493 18297 428 1 . 1 1 85 85 THR H H 430 7.810 7.810 7.857 -0.047 18297 429 1 . 1 1 86 86 PRO HA H 431 4.582 4.582 4.499 0.083 18297 430 1 . 1 1 86 86 PRO CA C 431 64.086 64.086 63.141 0.945 18297 431 1 . 1 1 86 86 PRO CB C 431 31.995 31.995 31.998 -0.003 18297 432 1 . 1 1 87 87 GLN N N 432 117.241 117.241 118.975 -1.734 18297 433 1 . 1 1 87 87 GLN HA H 432 4.618 4.618 4.450 0.168 18297 434 1 . 1 1 87 87 GLN C C 432 175.653 175.653 175.024 0.629 18297 435 1 . 1 1 87 87 GLN CA C 432 54.491 54.491 54.929 -0.438 18297 436 1 . 1 1 87 87 GLN CB C 432 30.799 30.799 30.334 0.465 18297 437 1 . 1 1 87 87 GLN H H 432 7.786 7.786 7.682 0.104 18297 438 1 . 1 1 88 88 THR N N 433 119.651 119.651 117.725 1.926 18297 439 1 . 1 1 88 88 THR HA H 433 4.440 4.440 4.836 -0.396 18297 440 1 . 1 1 88 88 THR C C 433 173.939 173.939 174.333 -0.394 18297 441 1 . 1 1 88 88 THR CA C 433 63.792 63.792 61.736 2.056 18297 442 1 . 1 1 88 88 THR CB C 433 70.357 70.357 69.575 0.782 18297 443 1 . 1 1 88 88 THR H H 433 8.460 8.460 8.342 0.118 18297 444 1 . 1 1 89 89 VAL N N 434 128.068 128.068 125.980 2.088 18297 445 1 . 1 1 89 89 VAL HA H 434 4.153 4.153 4.411 -0.258 18297 446 1 . 1 1 89 89 VAL C C 434 174.083 174.083 174.394 -0.311 18297 447 1 . 1 1 89 89 VAL CA C 434 61.827 61.827 60.730 1.097 18297 448 1 . 1 1 89 89 VAL CB C 434 33.937 33.937 33.964 -0.027 18297 449 1 . 1 1 89 89 VAL H H 434 9.275 9.275 8.776 0.499 18297 450 1 . 1 1 90 90 LEU N N 435 125.755 125.755 125.105 0.650 18297 451 1 . 1 1 90 90 LEU HA H 435 5.304 5.304 5.301 0.003 18297 452 1 . 1 1 90 90 LEU C C 435 176.455 176.455 176.033 0.422 18297 453 1 . 1 1 90 90 LEU CA C 435 53.396 53.396 53.414 -0.018 18297 454 1 . 1 1 90 90 LEU CB C 435 44.023 44.023 43.100 0.923 18297 455 1 . 1 1 90 90 LEU H H 435 8.169 8.169 8.467 -0.298 18297 456 1 . 1 1 91 91 PHE N N 436 120.743 120.743 122.909 -2.166 18297 457 1 . 1 1 91 91 PHE HA H 436 5.314 5.314 5.509 -0.195 18297 458 1 . 1 1 91 91 PHE C C 436 174.788 174.788 175.114 -0.326 18297 459 1 . 1 1 91 91 PHE CA C 436 56.327 56.327 56.128 0.199 18297 460 1 . 1 1 91 91 PHE CB C 436 43.330 43.330 43.048 0.282 18297 461 1 . 1 1 91 91 PHE H H 436 9.222 9.222 9.385 -0.163 18297 462 1 . 1 1 92 92 LYS N N 437 123.120 123.120 122.789 0.331 18297 463 1 . 1 1 92 92 LYS HA H 437 4.708 4.708 5.213 -0.505 18297 464 1 . 1 1 92 92 LYS C C 437 174.606 174.606 174.997 -0.391 18297 465 1 . 1 1 92 92 LYS CA C 437 55.139 55.139 55.212 -0.073 18297 466 1 . 1 1 92 92 LYS CB C 437 34.269 34.269 34.901 -0.632 18297 467 1 . 1 1 92 92 LYS H H 437 8.908 8.908 9.312 -0.404 18297 468 1 . 1 1 93 93 LEU N N 438 128.422 128.422 126.539 1.883 18297 469 1 . 1 1 93 93 LEU HA H 438 4.480 4.480 4.882 -0.402 18297 470 1 . 1 1 93 93 LEU C C 438 175.327 175.327 174.762 0.565 18297 471 1 . 1 1 93 93 LEU CA C 438 55.139 55.139 53.498 1.641 18297 472 1 . 1 1 93 93 LEU CB C 438 43.976 43.976 43.387 0.589 18297 473 1 . 1 1 93 93 LEU H H 438 8.755 8.755 8.456 0.299 18297 474 1 . 1 1 94 94 HIS N N 439 123.859 123.859 126.081 -2.222 18297 475 1 . 1 1 94 94 HIS HA H 439 5.180 5.180 4.887 0.293 18297 476 1 . 1 1 94 94 HIS C C 439 174.297 174.297 173.710 0.587 18297 477 1 . 1 1 94 94 HIS CA C 439 53.396 53.396 54.178 -0.782 18297 478 1 . 1 1 94 94 HIS CB C 439 30.786 30.786 32.780 -1.994 18297 479 1 . 1 1 94 94 HIS H H 439 8.891 8.891 9.160 -0.269 18297 480 1 . 1 1 95 95 PHE N N 440 123.544 123.544 123.800 -0.256 18297 481 1 . 1 1 95 95 PHE HA H 440 6.231 6.231 5.771 0.460 18297 482 1 . 1 1 95 95 PHE C C 440 178.229 178.229 176.698 1.531 18297 483 1 . 1 1 95 95 PHE CA C 440 53.690 53.690 57.101 -3.411 18297 484 1 . 1 1 95 95 PHE CB C 440 39.477 39.477 40.409 -0.932 18297 485 1 . 1 1 95 95 PHE H H 440 8.896 8.896 8.824 0.072 18297 486 1 . 1 1 96 96 THR N N 441 114.382 114.382 119.193 -4.811 18297 487 1 . 1 1 96 96 THR HA H 441 4.617 4.617 4.637 -0.019 18297 488 1 . 1 1 96 96 THR C C 441 173.867 173.867 173.829 0.038 18297 489 1 . 1 1 96 96 THR CA C 441 61.327 61.327 61.153 0.174 18297 490 1 . 1 1 96 96 THR CB C 441 69.561 69.561 69.849 -0.288 18297 491 1 . 1 1 96 96 THR H H 441 7.973 7.973 8.777 -0.804 18297 stop_ save_