data_17741 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 17741 _Entry.PDB_ID 2LF7 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 17741 _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 5 5 ARG N N 335 123.531 123.531 122.649 0.882 17741 2 1 1 . 1 1 5 5 ARG HA H 335 4.411 4.411 4.624 -0.213 17741 3 1 1 . 1 1 5 5 ARG C C 335 176.473 176.473 176.228 0.245 17741 4 1 1 . 1 1 5 5 ARG CA C 335 56.571 56.571 55.199 1.372 17741 5 1 1 . 1 1 5 5 ARG CB C 335 31.352 31.352 30.968 0.384 17741 6 1 1 . 1 1 5 5 ARG H H 335 9.347 9.347 8.690 0.657 17741 7 1 1 . 1 1 6 6 LEU N N 336 121.545 121.545 122.885 -1.340 17741 8 1 1 . 1 1 6 6 LEU HA H 336 4.293 4.293 4.315 -0.022 17741 9 1 1 . 1 1 6 6 LEU C C 336 178.837 178.837 178.090 0.747 17741 10 1 1 . 1 1 6 6 LEU CA C 336 54.652 54.652 55.047 -0.395 17741 11 1 1 . 1 1 6 6 LEU CB C 336 43.365 43.365 41.911 1.454 17741 12 1 1 . 1 1 6 6 LEU H H 336 8.556 8.556 8.495 0.061 17741 13 1 1 . 1 1 7 7 LEU HA H 337 3.441 3.441 2.815 0.626 17741 14 1 1 . 1 1 7 7 LEU C C 337 177.908 177.908 178.175 -0.267 17741 15 1 1 . 1 1 7 7 LEU CA C 337 58.771 58.771 58.436 0.335 17741 16 1 1 . 1 1 7 7 LEU CB C 337 40.192 40.192 41.702 -1.510 17741 17 1 1 . 1 1 8 8 TRP N N 338 114.624 114.624 117.011 -2.387 17741 18 1 1 . 1 1 8 8 TRP HA H 338 3.785 3.785 4.297 -0.512 17741 19 1 1 . 1 1 8 8 TRP C C 338 175.318 175.318 177.613 -2.295 17741 20 1 1 . 1 1 8 8 TRP CA C 338 59.891 59.891 59.688 0.203 17741 21 1 1 . 1 1 8 8 TRP CB C 338 28.359 28.359 28.156 0.203 17741 22 1 1 . 1 1 8 8 TRP H H 338 7.515 7.515 7.292 0.223 17741 23 1 1 . 1 1 9 9 ASP HA H 339 3.813 3.813 4.206 -0.393 17741 24 1 1 . 1 1 9 9 ASP C C 339 177.355 177.355 177.666 -0.311 17741 25 1 1 . 1 1 9 9 ASP CA C 339 56.291 56.291 56.476 -0.185 17741 26 1 1 . 1 1 9 9 ASP CB C 339 41.591 41.591 40.115 1.476 17741 27 1 1 . 1 1 10 10 TYR N N 340 120.906 120.906 120.444 0.462 17741 28 1 1 . 1 1 10 10 TYR HA H 340 3.897 3.897 4.057 -0.160 17741 29 1 1 . 1 1 10 10 TYR C C 340 177.011 177.011 177.328 -0.317 17741 30 1 1 . 1 1 10 10 TYR CA C 340 61.913 61.913 60.949 0.964 17741 31 1 1 . 1 1 10 10 TYR CB C 340 39.482 39.482 38.472 1.010 17741 32 1 1 . 1 1 10 10 TYR H H 340 8.005 8.005 7.856 0.149 17741 33 1 1 . 1 1 11 11 VAL N N 341 115.016 115.016 118.533 -3.517 17741 34 1 1 . 1 1 11 11 VAL HA H 341 2.992 2.992 3.208 -0.216 17741 35 1 1 . 1 1 11 11 VAL C C 341 176.751 176.751 177.038 -0.287 17741 36 1 1 . 1 1 11 11 VAL CA C 341 66.910 66.910 65.339 1.571 17741 37 1 1 . 1 1 11 11 VAL CB C 341 30.968 30.968 30.149 0.819 17741 38 1 1 . 1 1 11 11 VAL H H 341 8.287 8.287 7.898 0.389 17741 39 1 1 . 1 1 12 12 TYR N N 342 119.030 119.030 119.286 -0.256 17741 40 1 1 . 1 1 12 12 TYR HA H 342 3.641 3.641 3.868 -0.227 17741 41 1 1 . 1 1 12 12 TYR C C 342 178.659 178.659 177.733 0.926 17741 42 1 1 . 1 1 12 12 TYR CA C 342 63.010 63.010 62.830 0.180 17741 43 1 1 . 1 1 12 12 TYR CB C 342 38.212 38.212 37.749 0.463 17741 44 1 1 . 1 1 12 12 TYR H H 342 7.673 7.673 7.583 0.090 17741 45 1 1 . 1 1 13 13 GLN N N 343 119.113 119.113 118.836 0.277 17741 46 1 1 . 1 1 13 13 GLN HA H 343 3.828 3.828 4.104 -0.276 17741 47 1 1 . 1 1 13 13 GLN C C 343 179.955 179.955 177.810 2.145 17741 48 1 1 . 1 1 13 13 GLN CA C 343 58.871 58.871 58.416 0.455 17741 49 1 1 . 1 1 13 13 GLN CB C 343 27.514 27.514 27.823 -0.309 17741 50 1 1 . 1 1 13 13 GLN H H 343 8.161 8.161 7.602 0.559 17741 51 1 1 . 1 1 14 14 LEU N N 344 121.401 121.401 118.963 2.438 17741 52 1 1 . 1 1 14 14 LEU HA H 344 3.611 3.611 3.761 -0.150 17741 53 1 1 . 1 1 14 14 LEU C C 344 179.789 179.789 178.570 1.219 17741 54 1 1 . 1 1 14 14 LEU CA C 344 58.043 58.043 56.640 1.403 17741 55 1 1 . 1 1 14 14 LEU CB C 344 41.598 41.598 41.476 0.122 17741 56 1 1 . 1 1 14 14 LEU H H 344 7.825 7.825 7.297 0.528 17741 57 1 1 . 1 1 15 15 LEU N N 345 116.853 116.853 117.923 -1.070 17741 58 1 1 . 1 1 15 15 LEU HA H 345 3.504 3.504 3.716 -0.212 17741 59 1 1 . 1 1 15 15 LEU C C 345 178.149 178.149 179.027 -0.878 17741 60 1 1 . 1 1 15 15 LEU CA C 345 56.473 56.473 56.576 -0.103 17741 61 1 1 . 1 1 15 15 LEU CB C 345 41.322 41.322 40.704 0.618 17741 62 1 1 . 1 1 15 15 LEU H H 345 7.503 7.503 8.002 -0.499 17741 63 1 1 . 1 1 16 16 SER N N 346 112.491 112.491 111.693 0.798 17741 64 1 1 . 1 1 16 16 SER HA H 346 4.522 4.522 4.624 -0.102 17741 65 1 1 . 1 1 16 16 SER C C 346 172.441 172.441 173.823 -1.382 17741 66 1 1 . 1 1 16 16 SER CA C 346 58.859 58.859 59.414 -0.555 17741 67 1 1 . 1 1 16 16 SER CB C 346 63.987 63.987 63.917 0.070 17741 68 1 1 . 1 1 16 16 SER H H 346 7.277 7.277 7.594 -0.317 17741 69 1 1 . 1 1 17 17 ASP N N 347 122.161 122.161 120.293 1.868 17741 70 1 1 . 1 1 17 17 ASP HA H 347 4.966 4.966 4.925 0.041 17741 71 1 1 . 1 1 17 17 ASP C C 347 175.692 175.692 176.424 -0.732 17741 72 1 1 . 1 1 17 17 ASP CA C 347 52.805 52.805 52.936 -0.131 17741 73 1 1 . 1 1 17 17 ASP CB C 347 43.392 43.392 43.310 0.082 17741 74 1 1 . 1 1 17 17 ASP H H 347 7.345 7.345 7.288 0.057 17741 75 1 1 . 1 1 18 18 SER N N 348 120.164 120.164 121.988 -1.824 17741 76 1 1 . 1 1 18 18 SER HA H 348 4.356 4.356 4.256 0.100 17741 77 1 1 . 1 1 18 18 SER C C 348 176.200 176.200 176.077 0.123 17741 78 1 1 . 1 1 18 18 SER CA C 348 61.207 61.207 60.938 0.269 17741 79 1 1 . 1 1 18 18 SER CB C 348 63.226 63.226 63.179 0.047 17741 80 1 1 . 1 1 18 18 SER H H 348 8.686 8.686 8.862 -0.176 17741 81 1 1 . 1 1 19 19 ARG N N 349 122.701 122.701 122.096 0.605 17741 82 1 1 . 1 1 19 19 ARG HA H 349 4.105 4.105 3.952 0.153 17741 83 1 1 . 1 1 19 19 ARG C C 349 178.120 178.120 176.540 1.580 17741 84 1 1 . 1 1 19 19 ARG CA C 349 58.604 58.604 57.879 0.725 17741 85 1 1 . 1 1 19 19 ARG CB C 349 29.854 29.854 29.276 0.578 17741 86 1 1 . 1 1 19 19 ARG H H 349 8.597 8.597 7.658 0.939 17741 87 1 1 . 1 1 20 20 TYR N N 350 116.257 116.257 116.926 -0.669 17741 88 1 1 . 1 1 20 20 TYR HA H 350 4.884 4.884 4.663 0.221 17741 89 1 1 . 1 1 20 20 TYR C C 350 176.977 176.977 175.459 1.518 17741 90 1 1 . 1 1 20 20 TYR CA C 350 58.758 58.758 56.714 2.044 17741 91 1 1 . 1 1 20 20 TYR CB C 350 37.602 37.602 38.809 -1.207 17741 92 1 1 . 1 1 20 20 TYR H H 350 8.285 8.285 7.370 0.915 17741 93 1 1 . 1 1 21 21 GLU N N 351 120.807 120.807 120.272 0.535 17741 94 1 1 . 1 1 21 21 GLU HA H 351 4.454 4.454 4.374 0.080 17741 95 1 1 . 1 1 21 21 GLU C C 351 176.277 176.277 177.048 -0.771 17741 96 1 1 . 1 1 21 21 GLU CA C 351 59.135 59.135 58.147 0.988 17741 97 1 1 . 1 1 21 21 GLU CB C 351 29.674 29.674 29.060 0.614 17741 98 1 1 . 1 1 21 21 GLU H H 351 7.527 7.527 7.748 -0.221 17741 99 1 1 . 1 1 22 22 ASN N N 352 114.501 114.501 116.163 -1.662 17741 100 1 1 . 1 1 22 22 ASN HA H 352 4.471 4.471 4.505 -0.034 17741 101 1 1 . 1 1 22 22 ASN C C 352 174.426 174.426 175.879 -1.453 17741 102 1 1 . 1 1 22 22 ASN CA C 352 54.002 54.002 54.829 -0.827 17741 103 1 1 . 1 1 22 22 ASN CB C 352 36.943 36.943 38.477 -1.534 17741 104 1 1 . 1 1 22 22 ASN H H 352 8.647 8.647 7.981 0.666 17741 105 1 1 . 1 1 23 23 PHE N N 353 115.528 115.528 115.543 -0.015 17741 106 1 1 . 1 1 23 23 PHE HA H 353 4.751 4.751 4.762 -0.011 17741 107 1 1 . 1 1 23 23 PHE C C 353 176.374 176.374 175.775 0.599 17741 108 1 1 . 1 1 23 23 PHE CA C 353 59.617 59.617 58.046 1.571 17741 109 1 1 . 1 1 23 23 PHE CB C 353 41.431 41.431 41.045 0.386 17741 110 1 1 . 1 1 23 23 PHE H H 353 8.578 8.578 7.713 0.865 17741 111 1 1 . 1 1 24 24 ILE N N 354 120.520 120.520 118.484 2.036 17741 112 1 1 . 1 1 24 24 ILE HA H 354 5.063 5.063 4.969 0.094 17741 113 1 1 . 1 1 24 24 ILE C C 354 170.331 170.331 172.942 -2.611 17741 114 1 1 . 1 1 24 24 ILE CA C 354 59.835 59.835 60.708 -0.873 17741 115 1 1 . 1 1 24 24 ILE CB C 354 40.605 40.605 41.945 -1.340 17741 116 1 1 . 1 1 24 24 ILE H H 354 8.436 8.436 8.570 -0.134 17741 117 1 1 . 1 1 25 25 ARG N N 355 121.401 121.401 121.561 -0.160 17741 118 1 1 . 1 1 25 25 ARG HA H 355 4.916 4.916 4.834 0.082 17741 119 1 1 . 1 1 25 25 ARG C C 355 175.099 175.099 174.084 1.015 17741 120 1 1 . 1 1 25 25 ARG CA C 355 54.461 54.461 54.892 -0.430 17741 121 1 1 . 1 1 25 25 ARG CB C 355 33.662 33.662 33.762 -0.100 17741 122 1 1 . 1 1 25 25 ARG H H 355 8.668 8.668 9.093 -0.425 17741 123 1 1 . 1 1 26 26 TRP N N 356 122.022 122.022 124.258 -2.236 17741 124 1 1 . 1 1 26 26 TRP HA H 356 4.894 4.894 4.850 0.044 17741 125 1 1 . 1 1 26 26 TRP C C 356 176.606 176.606 176.962 -0.356 17741 126 1 1 . 1 1 26 26 TRP CA C 356 57.835 57.835 57.683 0.152 17741 127 1 1 . 1 1 26 26 TRP CB C 356 30.564 30.564 29.576 0.988 17741 128 1 1 . 1 1 26 26 TRP H H 356 9.149 9.149 8.980 0.169 17741 129 1 1 . 1 1 27 27 GLU N N 357 125.415 125.415 125.302 0.113 17741 130 1 1 . 1 1 27 27 GLU HA H 357 4.686 4.686 4.399 0.287 17741 131 1 1 . 1 1 27 27 GLU C C 357 176.709 176.709 176.256 0.453 17741 132 1 1 . 1 1 27 27 GLU CA C 357 56.939 56.939 58.305 -1.366 17741 133 1 1 . 1 1 27 27 GLU CB C 357 31.545 31.545 30.905 0.640 17741 134 1 1 . 1 1 27 27 GLU H H 357 9.524 9.524 8.728 0.796 17741 135 1 1 . 1 1 28 28 ASP N N 358 116.214 116.214 118.989 -2.775 17741 136 1 1 . 1 1 28 28 ASP HA H 358 4.759 4.759 4.859 -0.100 17741 137 1 1 . 1 1 28 28 ASP C C 358 176.124 176.124 175.459 0.665 17741 138 1 1 . 1 1 28 28 ASP CA C 358 53.481 53.481 53.512 -0.031 17741 139 1 1 . 1 1 28 28 ASP CB C 358 41.921 41.921 42.331 -0.410 17741 140 1 1 . 1 1 28 28 ASP H H 358 7.828 7.828 8.223 -0.395 17741 141 1 1 . 1 1 29 29 LYS N N 359 127.750 127.750 125.695 2.055 17741 142 1 1 . 1 1 29 29 LYS HA H 359 3.162 3.162 2.889 0.273 17741 143 1 1 . 1 1 29 29 LYS C C 359 178.683 178.683 177.608 1.075 17741 144 1 1 . 1 1 29 29 LYS CA C 359 60.173 60.173 59.137 1.036 17741 145 1 1 . 1 1 29 29 LYS CB C 359 32.728 32.728 32.192 0.536 17741 146 1 1 . 1 1 29 29 LYS H H 359 9.221 9.221 8.588 0.633 17741 147 1 1 . 1 1 30 30 GLU N N 360 119.608 119.608 116.597 3.011 17741 148 1 1 . 1 1 30 30 GLU HA H 360 3.923 3.923 4.084 -0.161 17741 149 1 1 . 1 1 30 30 GLU C C 360 178.598 178.598 178.470 0.128 17741 150 1 1 . 1 1 30 30 GLU CA C 360 59.512 59.512 58.101 1.411 17741 151 1 1 . 1 1 30 30 GLU CB C 360 29.188 29.188 29.509 -0.321 17741 152 1 1 . 1 1 30 30 GLU H H 360 8.343 8.343 8.321 0.022 17741 153 1 1 . 1 1 31 31 SER N N 361 113.313 113.313 114.208 -0.895 17741 154 1 1 . 1 1 31 31 SER HA H 361 4.485 4.485 4.499 -0.014 17741 155 1 1 . 1 1 31 31 SER C C 361 172.284 172.284 173.660 -1.376 17741 156 1 1 . 1 1 31 31 SER CA C 361 58.745 58.745 58.239 0.506 17741 157 1 1 . 1 1 31 31 SER CB C 361 63.728 63.728 63.555 0.173 17741 158 1 1 . 1 1 31 31 SER H H 361 7.466 7.466 7.700 -0.234 17741 159 1 1 . 1 1 32 32 LYS N N 362 115.197 115.197 116.632 -1.435 17741 160 1 1 . 1 1 32 32 LYS HA H 362 3.894 3.894 3.874 0.020 17741 161 1 1 . 1 1 32 32 LYS C C 362 175.489 175.489 175.055 0.434 17741 162 1 1 . 1 1 32 32 LYS CA C 362 57.641 57.641 57.151 0.490 17741 163 1 1 . 1 1 32 32 LYS CB C 362 29.811 29.811 29.643 0.168 17741 164 1 1 . 1 1 32 32 LYS H H 362 7.741 7.741 7.503 0.238 17741 165 1 1 . 1 1 33 33 ILE N N 363 118.359 118.359 119.413 -1.054 17741 166 1 1 . 1 1 33 33 ILE HA H 363 5.356 5.356 5.041 0.315 17741 167 1 1 . 1 1 33 33 ILE C C 363 177.019 177.019 175.718 1.301 17741 168 1 1 . 1 1 33 33 ILE CA C 363 60.455 60.455 61.071 -0.616 17741 169 1 1 . 1 1 33 33 ILE CB C 363 40.081 40.081 39.734 0.347 17741 170 1 1 . 1 1 33 33 ILE H H 363 8.268 8.268 8.483 -0.215 17741 171 1 1 . 1 1 34 34 PHE N N 364 128.287 128.287 125.351 2.936 17741 172 1 1 . 1 1 34 34 PHE HA H 364 5.576 5.576 5.713 -0.137 17741 173 1 1 . 1 1 34 34 PHE C C 364 170.447 170.447 172.890 -2.443 17741 174 1 1 . 1 1 34 34 PHE CA C 364 55.128 55.128 55.556 -0.428 17741 175 1 1 . 1 1 34 34 PHE CB C 364 44.010 44.010 43.000 1.010 17741 176 1 1 . 1 1 34 34 PHE H H 364 9.962 9.962 9.443 0.519 17741 177 1 1 . 1 1 35 35 ARG N N 365 120.900 120.900 121.503 -0.603 17741 178 1 1 . 1 1 35 35 ARG HA H 365 5.486 5.486 5.207 0.279 17741 179 1 1 . 1 1 35 35 ARG C C 365 176.462 176.462 175.245 1.217 17741 180 1 1 . 1 1 35 35 ARG CA C 365 53.609 53.609 53.725 -0.116 17741 181 1 1 . 1 1 35 35 ARG CB C 365 36.518 36.518 33.627 2.891 17741 182 1 1 . 1 1 35 35 ARG H H 365 9.427 9.427 9.321 0.106 17741 183 1 1 . 1 1 36 36 ILE N N 366 125.534 125.534 127.665 -2.131 17741 184 1 1 . 1 1 36 36 ILE HA H 366 4.209 4.209 4.226 -0.017 17741 185 1 1 . 1 1 36 36 ILE C C 366 173.899 173.899 175.387 -1.488 17741 186 1 1 . 1 1 36 36 ILE CA C 366 63.033 63.033 62.394 0.639 17741 187 1 1 . 1 1 36 36 ILE CB C 366 37.889 37.889 37.852 0.037 17741 188 1 1 . 1 1 36 36 ILE H H 366 8.643 8.643 9.104 -0.461 17741 189 1 1 . 1 1 37 37 VAL N N 367 129.194 129.194 127.942 1.252 17741 190 1 1 . 1 1 37 37 VAL HA H 367 3.679 3.679 3.962 -0.283 17741 191 1 1 . 1 1 37 37 VAL C C 367 175.919 175.919 176.330 -0.411 17741 192 1 1 . 1 1 37 37 VAL CA C 367 64.068 64.068 64.440 -0.372 17741 193 1 1 . 1 1 37 37 VAL CB C 367 32.884 32.884 32.168 0.716 17741 194 1 1 . 1 1 37 37 VAL H H 367 7.841 7.841 8.453 -0.612 17741 195 1 1 . 1 1 38 38 ASP N N 368 114.969 114.969 117.667 -2.698 17741 196 1 1 . 1 1 38 38 ASP HA H 368 5.222 5.222 5.075 0.147 17741 197 1 1 . 1 1 38 38 ASP C C 368 173.227 173.227 174.575 -1.348 17741 198 1 1 . 1 1 38 38 ASP CA C 368 50.238 50.238 51.273 -1.035 17741 199 1 1 . 1 1 38 38 ASP CB C 368 42.181 42.181 43.016 -0.835 17741 200 1 1 . 1 1 38 38 ASP H H 368 7.316 7.316 8.120 -0.804 17741 201 1 1 . 1 1 39 39 PRO HA H 369 3.809 3.809 4.098 -0.289 17741 202 1 1 . 1 1 39 39 PRO C C 369 177.958 177.958 178.438 -0.480 17741 203 1 1 . 1 1 39 39 PRO CA C 369 65.612 65.612 65.048 0.564 17741 204 1 1 . 1 1 39 39 PRO CB C 369 31.068 31.068 31.760 -0.692 17741 205 1 1 . 1 1 40 40 ASN N N 370 115.480 115.480 117.481 -2.001 17741 206 1 1 . 1 1 40 40 ASN HA H 370 4.604 4.604 4.521 0.083 17741 207 1 1 . 1 1 40 40 ASN C C 370 178.566 178.566 177.839 0.727 17741 208 1 1 . 1 1 40 40 ASN CA C 370 56.471 56.471 56.339 0.132 17741 209 1 1 . 1 1 40 40 ASN CB C 370 38.068 38.068 38.220 -0.152 17741 210 1 1 . 1 1 40 40 ASN H H 370 8.094 8.094 8.000 0.094 17741 211 1 1 . 1 1 41 41 GLY N N 371 111.371 111.371 107.988 3.383 17741 212 1 1 . 1 1 41 41 GLY C C 371 176.018 176.018 175.577 0.441 17741 213 1 1 . 1 1 41 41 GLY CA C 371 47.862 47.862 46.219 1.643 17741 214 1 1 . 1 1 41 41 GLY H H 371 8.632 8.632 9.171 -0.539 17741 215 1 1 . 1 1 42 42 LEU N N 372 122.901 122.901 122.373 0.528 17741 216 1 1 . 1 1 42 42 LEU HA H 372 4.035 4.035 4.213 -0.178 17741 217 1 1 . 1 1 42 42 LEU C C 372 177.704 177.704 178.542 -0.838 17741 218 1 1 . 1 1 42 42 LEU CA C 372 57.913 57.913 57.010 0.903 17741 219 1 1 . 1 1 42 42 LEU CB C 372 42.136 42.136 41.331 0.805 17741 220 1 1 . 1 1 42 42 LEU H H 372 8.876 8.876 7.793 1.083 17741 221 1 1 . 1 1 43 43 ALA N N 373 120.103 120.103 121.471 -1.368 17741 222 1 1 . 1 1 43 43 ALA HA H 373 4.462 4.462 4.233 0.229 17741 223 1 1 . 1 1 43 43 ALA C C 373 179.091 179.091 179.002 0.089 17741 224 1 1 . 1 1 43 43 ALA CA C 373 55.441 55.441 55.392 0.049 17741 225 1 1 . 1 1 43 43 ALA CB C 373 18.098 18.098 18.590 -0.492 17741 226 1 1 . 1 1 43 43 ALA H H 373 8.062 8.062 8.642 -0.580 17741 227 1 1 . 1 1 44 44 ARG N N 374 118.071 118.071 118.441 -0.370 17741 228 1 1 . 1 1 44 44 ARG HA H 374 4.117 4.117 4.111 0.006 17741 229 1 1 . 1 1 44 44 ARG C C 374 179.414 179.414 178.262 1.152 17741 230 1 1 . 1 1 44 44 ARG CA C 374 59.297 59.297 58.900 0.397 17741 231 1 1 . 1 1 44 44 ARG CB C 374 30.069 30.069 29.689 0.380 17741 232 1 1 . 1 1 44 44 ARG H H 374 7.725 7.725 7.616 0.109 17741 233 1 1 . 1 1 45 45 LEU N N 375 121.601 121.601 121.738 -0.137 17741 234 1 1 . 1 1 45 45 LEU HA H 375 4.015 4.015 4.212 -0.197 17741 235 1 1 . 1 1 45 45 LEU C C 375 180.087 180.087 178.823 1.264 17741 236 1 1 . 1 1 45 45 LEU CA C 375 58.553 58.553 58.193 0.360 17741 237 1 1 . 1 1 45 45 LEU CB C 375 41.495 41.495 41.370 0.125 17741 238 1 1 . 1 1 45 45 LEU H H 375 7.877 7.877 7.509 0.368 17741 239 1 1 . 1 1 46 46 TRP N N 376 121.543 121.543 121.266 0.277 17741 240 1 1 . 1 1 46 46 TRP HA H 376 4.333 4.333 3.945 0.388 17741 241 1 1 . 1 1 46 46 TRP C C 376 177.572 177.572 178.343 -0.771 17741 242 1 1 . 1 1 46 46 TRP CA C 376 59.091 59.091 59.431 -0.340 17741 243 1 1 . 1 1 46 46 TRP CB C 376 30.305 30.305 29.677 0.628 17741 244 1 1 . 1 1 46 46 TRP H H 376 8.615 8.615 8.733 -0.118 17741 245 1 1 . 1 1 47 47 GLY N N 377 105.532 105.532 105.419 0.113 17741 246 1 1 . 1 1 47 47 GLY C C 377 176.057 176.057 176.050 0.007 17741 247 1 1 . 1 1 47 47 GLY CA C 377 48.035 48.035 47.018 1.017 17741 248 1 1 . 1 1 47 47 GLY H H 377 8.877 8.877 8.967 -0.090 17741 249 1 1 . 1 1 48 48 ASN N N 378 119.996 119.996 120.603 -0.607 17741 250 1 1 . 1 1 48 48 ASN HA H 378 4.403 4.403 4.465 -0.062 17741 251 1 1 . 1 1 48 48 ASN C C 378 178.112 178.112 177.289 0.823 17741 252 1 1 . 1 1 48 48 ASN CA C 378 56.229 56.229 55.789 0.440 17741 253 1 1 . 1 1 48 48 ASN CB C 378 38.272 38.272 38.341 -0.069 17741 254 1 1 . 1 1 48 48 ASN H H 378 8.176 8.176 7.993 0.183 17741 255 1 1 . 1 1 49 49 HIS N N 379 121.459 121.459 119.385 2.074 17741 256 1 1 . 1 1 49 49 HIS HA H 379 4.129 4.129 4.312 -0.183 17741 257 1 1 . 1 1 49 49 HIS C C 379 175.858 175.858 176.685 -0.827 17741 258 1 1 . 1 1 49 49 HIS CA C 379 59.234 59.234 58.672 0.562 17741 259 1 1 . 1 1 49 49 HIS CB C 379 29.473 29.473 29.736 -0.263 17741 260 1 1 . 1 1 49 49 HIS H H 379 8.138 8.138 8.327 -0.189 17741 261 1 1 . 1 1 50 50 LYS N N 380 115.130 115.130 115.298 -0.168 17741 262 1 1 . 1 1 50 50 LYS HA H 380 3.797 3.797 3.941 -0.144 17741 263 1 1 . 1 1 50 50 LYS C C 380 175.468 175.468 175.788 -0.320 17741 264 1 1 . 1 1 50 50 LYS CA C 380 54.085 54.085 55.970 -1.885 17741 265 1 1 . 1 1 50 50 LYS CB C 380 30.887 30.887 32.648 -1.762 17741 266 1 1 . 1 1 50 50 LYS H H 380 7.552 7.552 7.624 -0.072 17741 267 1 1 . 1 1 51 51 ASN N N 381 116.632 116.632 116.949 -0.317 17741 268 1 1 . 1 1 51 51 ASN HA H 381 4.264 4.264 4.291 -0.027 17741 269 1 1 . 1 1 51 51 ASN C C 381 174.332 174.332 173.796 0.536 17741 270 1 1 . 1 1 51 51 ASN CA C 381 54.189 54.189 54.045 0.144 17741 271 1 1 . 1 1 51 51 ASN CB C 381 37.343 37.343 37.268 0.075 17741 272 1 1 . 1 1 51 51 ASN H H 381 7.715 7.715 7.560 0.155 17741 273 1 1 . 1 1 52 52 ARG N N 382 117.701 117.701 118.565 -0.864 17741 274 1 1 . 1 1 52 52 ARG HA H 382 4.583 4.583 4.687 -0.104 17741 275 1 1 . 1 1 52 52 ARG C C 382 176.172 176.172 176.181 -0.009 17741 276 1 1 . 1 1 52 52 ARG CA C 382 54.167 54.167 54.220 -0.053 17741 277 1 1 . 1 1 52 52 ARG CB C 382 31.882 31.882 31.898 -0.016 17741 278 1 1 . 1 1 52 52 ARG H H 382 8.465 8.465 8.148 0.317 17741 279 1 1 . 1 1 53 53 THR N N 383 114.338 114.338 117.382 -3.044 17741 280 1 1 . 1 1 53 53 THR HA H 383 4.208 4.208 4.169 0.039 17741 281 1 1 . 1 1 53 53 THR C C 383 174.496 174.496 174.919 -0.423 17741 282 1 1 . 1 1 53 53 THR CA C 383 62.345 62.345 64.268 -1.923 17741 283 1 1 . 1 1 53 53 THR CB C 383 69.699 69.699 69.149 0.550 17741 284 1 1 . 1 1 53 53 THR H H 383 8.274 8.274 8.409 -0.135 17741 285 1 1 . 1 1 54 54 ASN N N 384 119.031 119.031 119.040 -0.009 17741 286 1 1 . 1 1 54 54 ASN HA H 384 4.607 4.607 4.765 -0.158 17741 287 1 1 . 1 1 54 54 ASN C C 384 174.829 174.829 174.135 0.694 17741 288 1 1 . 1 1 54 54 ASN CA C 384 53.155 53.155 52.806 0.349 17741 289 1 1 . 1 1 54 54 ASN CB C 384 37.871 37.871 38.602 -0.731 17741 290 1 1 . 1 1 54 54 ASN H H 384 8.457 8.457 8.099 0.358 17741 291 1 1 . 1 1 55 55 MET N N 385 119.922 119.922 120.743 -0.821 17741 292 1 1 . 1 1 55 55 MET HA H 385 4.558 4.558 4.579 -0.021 17741 293 1 1 . 1 1 55 55 MET C C 385 174.921 174.921 175.196 -0.275 17741 294 1 1 . 1 1 55 55 MET CA C 385 55.271 55.271 54.118 1.153 17741 295 1 1 . 1 1 55 55 MET CB C 385 30.991 30.991 33.022 -2.031 17741 296 1 1 . 1 1 55 55 MET H H 385 8.073 8.073 7.593 0.480 17741 297 1 1 . 1 1 56 56 THR N N 386 113.771 113.771 118.053 -4.282 17741 298 1 1 . 1 1 56 56 THR HA H 386 4.693 4.693 4.627 0.066 17741 299 1 1 . 1 1 56 56 THR C C 386 175.459 175.459 174.482 0.977 17741 300 1 1 . 1 1 56 56 THR CA C 386 59.043 59.043 59.454 -0.411 17741 301 1 1 . 1 1 56 56 THR CB C 386 72.393 72.393 72.002 0.391 17741 302 1 1 . 1 1 56 56 THR H H 386 7.076 7.076 7.978 -0.902 17741 303 1 1 . 1 1 57 57 TYR N N 387 123.521 123.521 121.736 1.785 17741 304 1 1 . 1 1 57 57 TYR HA H 387 4.127 4.127 4.267 -0.140 17741 305 1 1 . 1 1 57 57 TYR C C 387 177.432 177.432 177.051 0.381 17741 306 1 1 . 1 1 57 57 TYR CA C 387 62.527 62.527 61.384 1.143 17741 307 1 1 . 1 1 57 57 TYR CB C 387 37.289 37.289 38.904 -1.615 17741 308 1 1 . 1 1 57 57 TYR H H 387 9.726 9.726 9.030 0.696 17741 309 1 1 . 1 1 58 58 GLU N N 388 121.083 121.083 120.249 0.834 17741 310 1 1 . 1 1 58 58 GLU HA H 388 3.825 3.825 3.842 -0.017 17741 311 1 1 . 1 1 58 58 GLU C C 388 179.225 179.225 179.050 0.175 17741 312 1 1 . 1 1 58 58 GLU CA C 388 60.476 60.476 59.664 0.812 17741 313 1 1 . 1 1 58 58 GLU CB C 388 29.087 29.087 29.170 -0.083 17741 314 1 1 . 1 1 58 58 GLU H H 388 8.843 8.843 7.986 0.857 17741 315 1 1 . 1 1 59 59 LYS N N 389 119.209 119.209 119.690 -0.481 17741 316 1 1 . 1 1 59 59 LYS HA H 389 3.971 3.971 4.001 -0.030 17741 317 1 1 . 1 1 59 59 LYS C C 389 179.944 179.944 178.891 1.053 17741 318 1 1 . 1 1 59 59 LYS CA C 389 59.897 59.897 58.843 1.054 17741 319 1 1 . 1 1 59 59 LYS CB C 389 33.359 33.359 32.065 1.294 17741 320 1 1 . 1 1 59 59 LYS H H 389 7.605 7.605 7.463 0.142 17741 321 1 1 . 1 1 60 60 MET N N 390 122.401 122.401 120.150 2.251 17741 322 1 1 . 1 1 60 60 MET HA H 390 3.944 3.944 3.970 -0.026 17741 323 1 1 . 1 1 60 60 MET C C 390 177.716 177.716 177.163 0.553 17741 324 1 1 . 1 1 60 60 MET CA C 390 59.547 59.547 59.025 0.522 17741 325 1 1 . 1 1 60 60 MET CB C 390 33.315 33.315 32.507 0.808 17741 326 1 1 . 1 1 60 60 MET H H 390 8.229 8.229 7.906 0.323 17741 327 1 1 . 1 1 61 61 SER N N 391 114.652 114.652 114.908 -0.256 17741 328 1 1 . 1 1 61 61 SER HA H 391 3.771 3.771 3.879 -0.108 17741 329 1 1 . 1 1 61 61 SER C C 391 176.449 176.449 176.601 -0.152 17741 330 1 1 . 1 1 61 61 SER CA C 391 61.554 61.554 61.251 0.303 17741 331 1 1 . 1 1 61 61 SER CB C 391 62.278 62.278 62.117 0.161 17741 332 1 1 . 1 1 61 61 SER H H 391 8.829 8.829 8.084 0.745 17741 333 1 1 . 1 1 62 62 ARG N N 392 122.213 122.213 122.066 0.147 17741 334 1 1 . 1 1 62 62 ARG HA H 392 3.945 3.945 3.860 0.085 17741 335 1 1 . 1 1 62 62 ARG C C 392 178.600 178.600 178.280 0.320 17741 336 1 1 . 1 1 62 62 ARG CA C 392 59.571 59.571 58.734 0.837 17741 337 1 1 . 1 1 62 62 ARG CB C 392 29.914 29.914 29.198 0.716 17741 338 1 1 . 1 1 62 62 ARG H H 392 7.413 7.413 7.932 -0.519 17741 339 1 1 . 1 1 63 63 ALA N N 393 122.327 122.327 121.605 0.722 17741 340 1 1 . 1 1 63 63 ALA HA H 393 4.157 4.157 3.759 0.398 17741 341 1 1 . 1 1 63 63 ALA C C 393 180.147 180.147 179.306 0.841 17741 342 1 1 . 1 1 63 63 ALA CA C 393 54.749 54.749 54.521 0.228 17741 343 1 1 . 1 1 63 63 ALA CB C 393 18.529 18.529 17.689 0.841 17741 344 1 1 . 1 1 63 63 ALA H H 393 7.256 7.256 7.365 -0.109 17741 345 1 1 . 1 1 64 64 LEU N N 394 117.582 117.582 117.995 -0.413 17741 346 1 1 . 1 1 64 64 LEU HA H 394 3.769 3.769 3.475 0.294 17741 347 1 1 . 1 1 64 64 LEU C C 394 178.139 178.139 178.650 -0.511 17741 348 1 1 . 1 1 64 64 LEU CA C 394 58.012 58.012 57.219 0.793 17741 349 1 1 . 1 1 64 64 LEU CB C 394 41.396 41.396 41.152 0.244 17741 350 1 1 . 1 1 64 64 LEU H H 394 7.768 7.768 7.346 0.422 17741 351 1 1 . 1 1 65 65 ARG N N 395 116.204 116.204 116.896 -0.692 17741 352 1 1 . 1 1 65 65 ARG HA H 395 3.445 3.445 3.404 0.041 17741 353 1 1 . 1 1 65 65 ARG C C 395 179.423 179.423 179.321 0.102 17741 354 1 1 . 1 1 65 65 ARG CA C 395 58.829 58.829 58.426 0.403 17741 355 1 1 . 1 1 65 65 ARG CB C 395 29.776 29.776 29.390 0.386 17741 356 1 1 . 1 1 65 65 ARG H H 395 7.595 7.595 8.130 -0.535 17741 357 1 1 . 1 1 66 66 HIS N N 396 118.573 118.573 120.244 -1.671 17741 358 1 1 . 1 1 66 66 HIS HA H 396 4.401 4.401 4.389 0.012 17741 359 1 1 . 1 1 66 66 HIS C C 396 177.218 177.218 177.365 -0.147 17741 360 1 1 . 1 1 66 66 HIS CA C 396 58.821 58.821 58.941 -0.120 17741 361 1 1 . 1 1 66 66 HIS CB C 396 29.753 29.753 29.849 -0.095 17741 362 1 1 . 1 1 66 66 HIS H H 396 7.362 7.362 7.658 -0.296 17741 363 1 1 . 1 1 67 67 TYR N N 397 115.773 115.773 119.284 -3.511 17741 364 1 1 . 1 1 67 67 TYR HA H 397 4.259 4.259 4.101 0.158 17741 365 1 1 . 1 1 67 67 TYR C C 397 178.802 178.802 178.247 0.555 17741 366 1 1 . 1 1 67 67 TYR CA C 397 60.329 60.329 59.678 0.651 17741 367 1 1 . 1 1 67 67 TYR CB C 397 37.379 37.379 36.719 0.660 17741 368 1 1 . 1 1 67 67 TYR H H 397 7.568 7.568 8.026 -0.458 17741 369 1 1 . 1 1 68 68 TYR N N 398 121.825 121.825 118.248 3.577 17741 370 1 1 . 1 1 68 68 TYR HA H 398 5.413 5.413 4.657 0.756 17741 371 1 1 . 1 1 68 68 TYR C C 398 181.169 181.169 178.796 2.373 17741 372 1 1 . 1 1 68 68 TYR CA C 398 57.775 57.775 59.597 -1.822 17741 373 1 1 . 1 1 68 68 TYR CB C 398 36.972 36.972 37.211 -0.239 17741 374 1 1 . 1 1 68 68 TYR H H 398 8.116 8.116 7.578 0.538 17741 375 1 1 . 1 1 69 69 LYS N N 399 120.934 120.934 118.190 2.744 17741 376 1 1 . 1 1 69 69 LYS HA H 399 4.127 4.127 4.137 -0.010 17741 377 1 1 . 1 1 69 69 LYS C C 399 177.928 177.928 177.754 0.174 17741 378 1 1 . 1 1 69 69 LYS CA C 399 58.912 58.912 59.056 -0.144 17741 379 1 1 . 1 1 69 69 LYS CB C 399 32.188 32.188 32.096 0.091 17741 380 1 1 . 1 1 69 69 LYS H H 399 7.771 7.771 8.225 -0.454 17741 381 1 1 . 1 1 70 70 LEU N N 400 116.022 116.022 117.264 -1.242 17741 382 1 1 . 1 1 70 70 LEU HA H 400 4.291 4.291 4.298 -0.007 17741 383 1 1 . 1 1 70 70 LEU C C 400 175.827 175.827 176.092 -0.265 17741 384 1 1 . 1 1 70 70 LEU CA C 400 54.675 54.675 54.509 0.166 17741 385 1 1 . 1 1 70 70 LEU CB C 400 43.081 43.081 41.092 1.989 17741 386 1 1 . 1 1 70 70 LEU H H 400 7.144 7.144 7.546 -0.402 17741 387 1 1 . 1 1 71 71 ASN N N 401 115.201 115.201 114.795 0.406 17741 388 1 1 . 1 1 71 71 ASN HA H 401 4.352 4.352 4.372 -0.020 17741 389 1 1 . 1 1 71 71 ASN C C 401 173.517 173.517 175.180 -1.663 17741 390 1 1 . 1 1 71 71 ASN CA C 401 54.602 54.602 54.786 -0.184 17741 391 1 1 . 1 1 71 71 ASN CB C 401 37.381 37.381 36.546 0.835 17741 392 1 1 . 1 1 71 71 ASN H H 401 8.047 8.047 7.712 0.335 17741 393 1 1 . 1 1 72 72 ILE N N 402 113.907 113.907 117.430 -3.523 17741 394 1 1 . 1 1 72 72 ILE HA H 402 4.059 4.059 4.032 0.027 17741 395 1 1 . 1 1 72 72 ILE C C 402 176.279 176.279 175.348 0.931 17741 396 1 1 . 1 1 72 72 ILE CA C 402 63.797 63.797 63.123 0.674 17741 397 1 1 . 1 1 72 72 ILE CB C 402 40.395 40.395 39.691 0.704 17741 398 1 1 . 1 1 72 72 ILE H H 402 7.986 7.986 8.560 -0.574 17741 399 1 1 . 1 1 73 73 ILE N N 403 116.766 116.766 116.115 0.651 17741 400 1 1 . 1 1 73 73 ILE HA H 403 5.042 5.042 4.629 0.413 17741 401 1 1 . 1 1 73 73 ILE C C 403 173.945 173.945 174.230 -0.285 17741 402 1 1 . 1 1 73 73 ILE CA C 403 59.247 59.247 59.458 -0.210 17741 403 1 1 . 1 1 73 73 ILE CB C 403 43.414 43.414 41.828 1.585 17741 404 1 1 . 1 1 73 73 ILE H H 403 7.042 7.042 7.232 -0.190 17741 405 1 1 . 1 1 74 74 ARG N N 404 123.256 123.256 121.515 1.741 17741 406 1 1 . 1 1 74 74 ARG HA H 404 4.751 4.751 4.563 0.188 17741 407 1 1 . 1 1 74 74 ARG C C 404 174.757 174.757 173.831 0.926 17741 408 1 1 . 1 1 74 74 ARG CA C 404 54.274 54.274 54.529 -0.256 17741 409 1 1 . 1 1 74 74 ARG CB C 404 34.492 34.492 33.440 1.052 17741 410 1 1 . 1 1 74 74 ARG H H 404 8.931 8.931 9.218 -0.287 17741 411 1 1 . 1 1 75 75 LYS N N 405 125.627 125.627 121.407 4.220 17741 412 1 1 . 1 1 75 75 LYS HA H 405 4.076 4.076 4.438 -0.362 17741 413 1 1 . 1 1 75 75 LYS C C 405 176.481 176.481 175.969 0.512 17741 414 1 1 . 1 1 75 75 LYS CA C 405 56.446 56.446 53.905 2.541 17741 415 1 1 . 1 1 75 75 LYS CB C 405 32.758 32.758 33.818 -1.060 17741 416 1 1 . 1 1 75 75 LYS H H 405 8.294 8.294 8.152 0.142 17741 417 1 1 . 1 1 76 76 GLU N N 406 128.187 128.187 125.793 2.394 17741 418 1 1 . 1 1 76 76 GLU HA H 406 4.447 4.447 4.542 -0.095 17741 419 1 1 . 1 1 76 76 GLU C C 406 174.401 174.401 174.960 -0.559 17741 420 1 1 . 1 1 76 76 GLU CA C 406 53.751 53.751 53.225 0.526 17741 421 1 1 . 1 1 76 76 GLU CB C 406 29.951 29.951 28.217 1.734 17741 422 1 1 . 1 1 76 76 GLU H H 406 8.016 8.016 8.150 -0.134 17741 423 1 1 . 1 1 77 77 PRO HA H 407 4.288 4.288 4.346 -0.058 17741 424 1 1 . 1 1 77 77 PRO C C 407 177.654 177.654 176.870 0.784 17741 425 1 1 . 1 1 77 77 PRO CA C 407 63.433 63.433 63.079 0.354 17741 426 1 1 . 1 1 77 77 PRO CB C 407 32.152 32.152 31.056 1.096 17741 427 1 1 . 1 1 78 78 GLY N N 408 109.679 109.679 113.798 -4.119 17741 428 1 1 . 1 1 78 78 GLY C C 408 173.976 173.976 174.401 -0.425 17741 429 1 1 . 1 1 78 78 GLY CA C 408 45.539 45.539 44.830 0.709 17741 430 1 1 . 1 1 78 78 GLY H H 408 8.514 8.514 8.371 0.143 17741 431 1 1 . 1 1 79 79 GLN N N 409 116.897 116.897 121.057 -4.160 17741 432 1 1 . 1 1 79 79 GLN HA H 409 4.489 4.489 4.514 -0.025 17741 433 1 1 . 1 1 79 79 GLN C C 409 175.371 175.371 175.355 0.016 17741 434 1 1 . 1 1 79 79 GLN CA C 409 54.472 54.472 54.809 -0.337 17741 435 1 1 . 1 1 79 79 GLN CB C 409 31.301 31.301 29.806 1.495 17741 436 1 1 . 1 1 79 79 GLN H H 409 7.572 7.572 8.603 -1.031 17741 437 1 1 . 1 1 80 80 ARG N N 410 120.458 120.458 120.209 0.249 17741 438 1 1 . 1 1 80 80 ARG HA H 410 4.275 4.275 4.190 0.085 17741 439 1 1 . 1 1 80 80 ARG C C 410 176.227 176.227 177.527 -1.300 17741 440 1 1 . 1 1 80 80 ARG CA C 410 56.891 56.891 58.038 -1.147 17741 441 1 1 . 1 1 80 80 ARG CB C 410 31.475 31.475 29.887 1.587 17741 442 1 1 . 1 1 80 80 ARG H H 410 8.254 8.254 8.668 -0.414 17741 443 1 1 . 1 1 81 81 LEU N N 411 119.424 119.424 120.234 -0.810 17741 444 1 1 . 1 1 81 81 LEU HA H 411 4.048 4.048 4.543 -0.495 17741 445 1 1 . 1 1 81 81 LEU C C 411 173.277 173.277 175.466 -2.189 17741 446 1 1 . 1 1 81 81 LEU CA C 411 55.111 55.111 53.741 1.370 17741 447 1 1 . 1 1 81 81 LEU CB C 411 40.298 40.298 41.252 -0.954 17741 448 1 1 . 1 1 81 81 LEU H H 411 8.467 8.467 7.928 0.539 17741 449 1 1 . 1 1 82 82 LEU N N 412 119.126 119.126 121.852 -2.726 17741 450 1 1 . 1 1 82 82 LEU HA H 412 5.036 5.036 4.702 0.334 17741 451 1 1 . 1 1 82 82 LEU C C 412 175.323 175.323 174.641 0.682 17741 452 1 1 . 1 1 82 82 LEU CA C 412 53.175 53.175 53.626 -0.451 17741 453 1 1 . 1 1 82 82 LEU CB C 412 45.482 45.482 43.096 2.386 17741 454 1 1 . 1 1 82 82 LEU H H 412 6.769 6.769 7.156 -0.387 17741 455 1 1 . 1 1 83 83 PHE N N 413 122.107 122.107 123.475 -1.368 17741 456 1 1 . 1 1 83 83 PHE HA H 413 4.848 4.848 4.870 -0.022 17741 457 1 1 . 1 1 83 83 PHE C C 413 172.764 172.764 173.532 -0.768 17741 458 1 1 . 1 1 83 83 PHE CA C 413 55.848 55.848 56.243 -0.395 17741 459 1 1 . 1 1 83 83 PHE CB C 413 44.675 44.675 43.005 1.670 17741 460 1 1 . 1 1 83 83 PHE H H 413 8.648 8.648 9.018 -0.370 17741 461 1 1 . 1 1 84 84 ARG N N 414 119.466 119.466 122.002 -2.536 17741 462 1 1 . 1 1 84 84 ARG HA H 414 5.578 5.578 5.292 0.286 17741 463 1 1 . 1 1 84 84 ARG C C 414 177.476 177.476 175.236 2.240 17741 464 1 1 . 1 1 84 84 ARG CA C 414 54.198 54.198 54.353 -0.155 17741 465 1 1 . 1 1 84 84 ARG CB C 414 36.128 36.128 33.616 2.512 17741 466 1 1 . 1 1 84 84 ARG H H 414 9.117 9.117 8.662 0.455 17741 467 1 1 . 1 1 85 85 PHE N N 415 124.357 124.357 126.394 -2.037 17741 468 1 1 . 1 1 85 85 PHE HA H 415 5.037 5.037 4.689 0.348 17741 469 1 1 . 1 1 85 85 PHE C C 415 176.084 176.084 175.743 0.341 17741 470 1 1 . 1 1 85 85 PHE CA C 415 59.719 59.719 60.593 -0.874 17741 471 1 1 . 1 1 85 85 PHE CB C 415 40.812 40.812 39.070 1.742 17741 472 1 1 . 1 1 85 85 PHE H H 415 8.984 8.984 9.440 -0.456 17741 473 1 1 . 1 1 86 86 MET N N 416 121.301 121.301 124.458 -3.157 17741 474 1 1 . 1 1 86 86 MET HA H 416 4.670 4.670 4.235 0.435 17741 475 1 1 . 1 1 86 86 MET C C 416 176.543 176.543 176.715 -0.172 17741 476 1 1 . 1 1 86 86 MET CA C 416 54.863 54.863 58.498 -3.635 17741 477 1 1 . 1 1 86 86 MET CB C 416 31.711 31.711 33.001 -1.290 17741 478 1 1 . 1 1 86 86 MET H H 416 8.671 8.671 8.294 0.377 17741 479 1 1 . 1 1 87 87 LYS N N 417 117.759 117.759 114.706 3.053 17741 480 1 1 . 1 1 87 87 LYS HA H 417 4.856 4.856 4.748 0.108 17741 481 1 1 . 1 1 87 87 LYS C C 417 175.445 175.445 175.695 -0.250 17741 482 1 1 . 1 1 87 87 LYS CA C 417 54.550 54.550 54.693 -0.143 17741 483 1 1 . 1 1 87 87 LYS CB C 417 37.828 37.828 36.684 1.144 17741 484 1 1 . 1 1 87 87 LYS H H 417 7.656 7.656 7.631 0.025 17741 485 1 1 . 1 1 88 88 THR N N 418 112.506 112.506 111.501 1.005 17741 486 1 1 . 1 1 88 88 THR HA H 418 4.372 4.372 5.125 -0.753 17741 487 1 1 . 1 1 88 88 THR C C 418 173.594 173.594 173.540 0.054 17741 488 1 1 . 1 1 88 88 THR CA C 418 59.640 59.640 58.443 1.197 17741 489 1 1 . 1 1 88 88 THR CB C 418 68.065 68.065 69.618 -1.554 17741 490 1 1 . 1 1 88 88 THR H H 418 8.685 8.685 8.940 -0.255 17741 491 1 1 . 1 1 89 89 PRO HA H 419 3.748 3.748 4.028 -0.280 17741 492 1 1 . 1 1 89 89 PRO C C 419 177.219 177.219 178.505 -1.286 17741 493 1 1 . 1 1 89 89 PRO CA C 419 65.592 65.592 66.173 -0.581 17741 494 1 1 . 1 1 89 89 PRO CB C 419 31.739 31.739 31.747 -0.008 17741 495 1 1 . 1 1 90 90 ASP N N 420 114.631 114.631 115.980 -1.349 17741 496 1 1 . 1 1 90 90 ASP HA H 420 4.265 4.265 4.422 -0.157 17741 497 1 1 . 1 1 90 90 ASP C C 420 177.962 177.962 177.654 0.308 17741 498 1 1 . 1 1 90 90 ASP CA C 420 56.371 56.371 56.840 -0.469 17741 499 1 1 . 1 1 90 90 ASP CB C 420 40.662 40.662 40.690 -0.028 17741 500 1 1 . 1 1 90 90 ASP H H 420 7.962 7.962 8.614 -0.652 17741 501 1 1 . 1 1 91 91 GLU N N 421 119.501 119.501 118.715 0.786 17741 502 1 1 . 1 1 91 91 GLU HA H 421 4.043 4.043 4.131 -0.088 17741 503 1 1 . 1 1 91 91 GLU C C 421 178.599 178.599 179.272 -0.673 17741 504 1 1 . 1 1 91 91 GLU CA C 421 58.113 58.113 58.656 -0.543 17741 505 1 1 . 1 1 91 91 GLU CB C 421 30.721 30.721 30.104 0.617 17741 506 1 1 . 1 1 91 91 GLU H H 421 7.661 7.661 7.744 -0.083 17741 507 1 1 . 1 1 92 92 ILE N N 422 120.594 120.594 121.084 -0.490 17741 508 1 1 . 1 1 92 92 ILE HA H 422 3.641 3.641 3.646 -0.005 17741 509 1 1 . 1 1 92 92 ILE C C 422 177.752 177.752 177.385 0.367 17741 510 1 1 . 1 1 92 92 ILE CA C 422 62.931 62.931 65.135 -2.204 17741 511 1 1 . 1 1 92 92 ILE CB C 422 38.185 38.185 37.788 0.397 17741 512 1 1 . 1 1 92 92 ILE H H 422 7.861 7.861 8.288 -0.427 17741 513 1 1 . 1 1 93 93 MET N N 423 119.187 119.187 115.813 3.374 17741 514 1 1 . 1 1 93 93 MET HA H 423 4.391 4.391 4.424 -0.033 17741 515 1 1 . 1 1 93 93 MET C C 423 176.982 176.982 176.461 0.521 17741 516 1 1 . 1 1 93 93 MET CA C 423 56.491 56.491 56.744 -0.253 17741 517 1 1 . 1 1 93 93 MET CB C 423 32.584 32.584 32.174 0.410 17741 518 1 1 . 1 1 93 93 MET H H 423 8.158 8.158 7.963 0.195 17741 519 1 1 . 1 1 94 94 SER N N 424 114.933 114.933 115.181 -0.248 17741 520 1 1 . 1 1 94 94 SER HA H 424 4.394 4.394 4.449 -0.055 17741 521 1 1 . 1 1 94 94 SER C C 424 175.238 175.238 174.830 0.408 17741 522 1 1 . 1 1 94 94 SER CA C 424 59.423 59.423 58.161 1.262 17741 523 1 1 . 1 1 94 94 SER CB C 424 63.695 63.695 62.711 0.984 17741 524 1 1 . 1 1 94 94 SER H H 424 7.854 7.854 7.470 0.384 17741 525 1 1 . 1 1 95 95 GLY N N 425 110.045 110.045 109.166 0.879 17741 526 1 1 . 1 1 95 95 GLY C C 425 174.194 174.194 176.110 -1.916 17741 527 1 1 . 1 1 95 95 GLY CA C 425 45.432 45.432 45.410 0.022 17741 528 1 1 . 1 1 95 95 GLY H H 425 8.061 8.061 7.441 0.620 17741 529 1 1 . 1 1 96 96 ARG N N 426 119.987 119.987 121.588 -1.601 17741 530 1 1 . 1 1 96 96 ARG HA H 426 4.475 4.475 4.160 0.315 17741 531 1 1 . 1 1 96 96 ARG C C 426 177.308 177.308 177.485 -0.177 17741 532 1 1 . 1 1 96 96 ARG CA C 426 56.195 56.195 58.200 -2.005 17741 533 1 1 . 1 1 96 96 ARG CB C 426 30.354 30.354 30.292 0.062 17741 534 1 1 . 1 1 96 96 ARG H H 426 8.092 8.092 7.800 0.292 17741 535 1 1 . 1 1 97 97 THR N N 427 114.398 114.398 112.461 1.937 17741 536 1 1 . 1 1 97 97 THR HA H 427 4.298 4.298 4.615 -0.317 17741 537 1 1 . 1 1 97 97 THR C C 427 174.913 174.913 174.477 0.436 17741 538 1 1 . 1 1 97 97 THR CA C 427 62.673 62.673 60.478 2.195 17741 539 1 1 . 1 1 97 97 THR CB C 427 69.473 69.473 68.955 0.518 17741 540 1 1 . 1 1 97 97 THR H H 427 8.319 8.319 7.749 0.570 17741 541 1 1 . 1 1 98 98 ASP N N 428 121.983 121.983 122.674 -0.691 17741 542 1 1 . 1 1 98 98 ASP HA H 428 4.508 4.508 4.679 -0.171 17741 543 1 1 . 1 1 98 98 ASP C C 428 176.956 176.956 177.771 -0.815 17741 544 1 1 . 1 1 98 98 ASP CA C 428 55.433 55.433 57.396 -1.963 17741 545 1 1 . 1 1 98 98 ASP CB C 428 40.746 40.746 41.304 -0.558 17741 546 1 1 . 1 1 98 98 ASP H H 428 8.488 8.488 7.604 0.884 17741 547 1 1 . 1 1 99 99 ARG N N 429 119.821 119.821 117.883 1.938 17741 548 1 1 . 1 1 99 99 ARG HA H 429 4.277 4.277 4.296 -0.019 17741 549 1 1 . 1 1 99 99 ARG C C 429 177.078 177.078 178.942 -1.864 17741 550 1 1 . 1 1 99 99 ARG CA C 429 56.984 56.984 58.791 -1.807 17741 551 1 1 . 1 1 99 99 ARG CB C 429 30.224 30.224 30.263 -0.039 17741 552 1 1 . 1 1 99 99 ARG H H 429 8.088 8.088 8.230 -0.142 17741 553 1 1 . 1 1 100 100 LEU N N 430 120.887 120.887 121.186 -0.299 17741 554 1 1 . 1 1 100 100 LEU HA H 430 4.176 4.176 4.208 -0.032 17741 555 1 1 . 1 1 100 100 LEU C C 430 177.732 177.732 178.532 -0.800 17741 556 1 1 . 1 1 100 100 LEU CA C 430 56.324 56.324 58.003 -1.679 17741 557 1 1 . 1 1 100 100 LEU CB C 430 42.262 42.262 41.850 0.412 17741 558 1 1 . 1 1 100 100 LEU H H 430 7.945 7.945 8.055 -0.110 17741 559 1 1 . 1 1 101 101 GLU N N 431 119.799 119.799 117.010 2.789 17741 560 1 1 . 1 1 101 101 GLU HA H 431 4.082 4.082 4.007 0.075 17741 561 1 1 . 1 1 101 101 GLU C C 431 177.281 177.281 178.165 -0.884 17741 562 1 1 . 1 1 101 101 GLU CA C 431 58.011 58.011 58.973 -0.962 17741 563 1 1 . 1 1 101 101 GLU CB C 431 30.191 30.191 29.297 0.894 17741 564 1 1 . 1 1 101 101 GLU H H 431 8.268 8.268 8.087 0.181 17741 565 1 1 . 1 1 102 102 HIS N N 432 118.048 118.048 115.136 2.912 17741 566 1 1 . 1 1 102 102 HIS HA H 432 4.584 4.584 4.628 -0.044 17741 567 1 1 . 1 1 102 102 HIS C C 432 175.678 175.678 177.239 -1.561 17741 568 1 1 . 1 1 102 102 HIS CA C 432 56.571 56.571 58.545 -1.974 17741 569 1 1 . 1 1 102 102 HIS CB C 432 29.352 29.352 30.944 -1.592 17741 570 1 1 . 1 1 102 102 HIS H H 432 8.166 8.166 7.945 0.221 17741 571 1 1 . 1 1 103 103 LEU N N 433 122.228 122.228 119.252 2.976 17741 572 1 1 . 1 1 103 103 LEU HA H 433 4.176 4.176 4.534 -0.358 17741 573 1 1 . 1 1 103 103 LEU C C 433 177.904 177.904 178.548 -0.644 17741 574 1 1 . 1 1 103 103 LEU CA C 433 56.237 56.237 57.673 -1.436 17741 575 1 1 . 1 1 103 103 LEU CB C 433 42.305 42.305 42.063 0.242 17741 576 1 1 . 1 1 103 103 LEU H H 433 8.072 8.072 7.593 0.479 17741 577 1 1 . 1 1 104 104 GLU N N 434 119.413 119.413 118.155 1.258 17741 578 1 1 . 1 1 104 104 GLU HA H 434 4.309 4.309 4.425 -0.116 17741 579 1 1 . 1 1 104 104 GLU C C 434 176.560 176.560 176.600 -0.040 17741 580 1 1 . 1 1 104 104 GLU CA C 434 57.098 57.098 56.946 0.152 17741 581 1 1 . 1 1 104 104 GLU CB C 434 30.301 30.301 28.962 1.339 17741 582 1 1 . 1 1 104 104 GLU H H 434 8.331 8.331 8.521 -0.190 17741 583 1 1 . 1 1 105 105 SER N N 435 115.859 115.859 112.753 3.106 17741 584 1 1 . 1 1 105 105 SER HA H 435 4.443 4.443 4.405 0.038 17741 585 1 1 . 1 1 105 105 SER C C 435 173.630 173.630 174.478 -0.848 17741 586 1 1 . 1 1 105 105 SER CA C 435 58.591 58.591 59.357 -0.766 17741 587 1 1 . 1 1 105 105 SER CB C 435 64.066 64.066 64.279 -0.213 17741 588 1 1 . 1 1 105 105 SER H H 435 7.976 7.976 7.807 0.169 17741 589 1 2 . 1 1 5 5 ARG N N 335 123.531 123.531 123.013 0.518 17741 590 1 2 . 1 1 5 5 ARG HA H 335 4.411 4.411 4.015 0.396 17741 591 1 2 . 1 1 5 5 ARG C C 335 176.473 176.473 176.722 -0.249 17741 592 1 2 . 1 1 5 5 ARG CA C 335 56.571 56.571 56.092 0.479 17741 593 1 2 . 1 1 5 5 ARG CB C 335 31.352 31.352 30.638 0.714 17741 594 1 2 . 1 1 5 5 ARG H H 335 9.347 9.347 8.017 1.330 17741 595 1 2 . 1 1 6 6 LEU N N 336 121.545 121.545 122.926 -1.381 17741 596 1 2 . 1 1 6 6 LEU HA H 336 4.293 4.293 4.343 -0.050 17741 597 1 2 . 1 1 6 6 LEU C C 336 178.837 178.837 177.765 1.072 17741 598 1 2 . 1 1 6 6 LEU CA C 336 54.652 54.652 55.105 -0.453 17741 599 1 2 . 1 1 6 6 LEU CB C 336 43.365 43.365 41.916 1.449 17741 600 1 2 . 1 1 6 6 LEU H H 336 8.556 8.556 8.222 0.334 17741 601 1 2 . 1 1 7 7 LEU HA H 337 3.441 3.441 2.926 0.515 17741 602 1 2 . 1 1 7 7 LEU C C 337 177.908 177.908 178.355 -0.447 17741 603 1 2 . 1 1 7 7 LEU CA C 337 58.771 58.771 58.694 0.077 17741 604 1 2 . 1 1 7 7 LEU CB C 337 40.192 40.192 41.822 -1.630 17741 605 1 2 . 1 1 8 8 TRP N N 338 114.624 114.624 116.866 -2.242 17741 606 1 2 . 1 1 8 8 TRP HA H 338 3.785 3.785 4.318 -0.533 17741 607 1 2 . 1 1 8 8 TRP C C 338 175.318 175.318 177.853 -2.535 17741 608 1 2 . 1 1 8 8 TRP CA C 338 59.891 59.891 59.771 0.120 17741 609 1 2 . 1 1 8 8 TRP CB C 338 28.359 28.359 28.118 0.241 17741 610 1 2 . 1 1 8 8 TRP H H 338 7.515 7.515 7.329 0.186 17741 611 1 2 . 1 1 9 9 ASP HA H 339 3.813 3.813 4.197 -0.384 17741 612 1 2 . 1 1 9 9 ASP C C 339 177.355 177.355 177.901 -0.546 17741 613 1 2 . 1 1 9 9 ASP CA C 339 56.291 56.291 56.724 -0.433 17741 614 1 2 . 1 1 9 9 ASP CB C 339 41.591 41.591 39.961 1.630 17741 615 1 2 . 1 1 10 10 TYR N N 340 120.906 120.906 120.895 0.011 17741 616 1 2 . 1 1 10 10 TYR HA H 340 3.897 3.897 3.939 -0.042 17741 617 1 2 . 1 1 10 10 TYR C C 340 177.011 177.011 177.394 -0.383 17741 618 1 2 . 1 1 10 10 TYR CA C 340 61.913 61.913 60.413 1.500 17741 619 1 2 . 1 1 10 10 TYR CB C 340 39.482 39.482 38.416 1.067 17741 620 1 2 . 1 1 10 10 TYR H H 340 8.005 8.005 8.103 -0.098 17741 621 1 2 . 1 1 11 11 VAL N N 341 115.016 115.016 118.115 -3.099 17741 622 1 2 . 1 1 11 11 VAL HA H 341 2.992 2.992 3.208 -0.216 17741 623 1 2 . 1 1 11 11 VAL C C 341 176.751 176.751 177.162 -0.411 17741 624 1 2 . 1 1 11 11 VAL CA C 341 66.910 66.910 65.958 0.952 17741 625 1 2 . 1 1 11 11 VAL CB C 341 30.968 30.968 30.070 0.898 17741 626 1 2 . 1 1 11 11 VAL H H 341 8.287 8.287 7.881 0.406 17741 627 1 2 . 1 1 12 12 TYR N N 342 119.030 119.030 120.334 -1.304 17741 628 1 2 . 1 1 12 12 TYR HA H 342 3.641 3.641 3.855 -0.214 17741 629 1 2 . 1 1 12 12 TYR C C 342 178.659 178.659 177.838 0.821 17741 630 1 2 . 1 1 12 12 TYR CA C 342 63.010 63.010 62.708 0.302 17741 631 1 2 . 1 1 12 12 TYR CB C 342 38.212 38.212 37.347 0.865 17741 632 1 2 . 1 1 12 12 TYR H H 342 7.673 7.673 7.800 -0.127 17741 633 1 2 . 1 1 13 13 GLN N N 343 119.113 119.113 118.807 0.306 17741 634 1 2 . 1 1 13 13 GLN HA H 343 3.828 3.828 4.135 -0.307 17741 635 1 2 . 1 1 13 13 GLN C C 343 179.955 179.955 177.737 2.218 17741 636 1 2 . 1 1 13 13 GLN CA C 343 58.871 58.871 58.150 0.721 17741 637 1 2 . 1 1 13 13 GLN CB C 343 27.514 27.514 28.152 -0.638 17741 638 1 2 . 1 1 13 13 GLN H H 343 8.161 8.161 7.622 0.539 17741 639 1 2 . 1 1 14 14 LEU N N 344 121.401 121.401 119.987 1.414 17741 640 1 2 . 1 1 14 14 LEU HA H 344 3.611 3.611 3.820 -0.209 17741 641 1 2 . 1 1 14 14 LEU C C 344 179.789 179.789 179.578 0.211 17741 642 1 2 . 1 1 14 14 LEU CA C 344 58.043 58.043 56.960 1.083 17741 643 1 2 . 1 1 14 14 LEU CB C 344 41.598 41.598 41.374 0.224 17741 644 1 2 . 1 1 14 14 LEU H H 344 7.825 7.825 7.572 0.253 17741 645 1 2 . 1 1 15 15 LEU N N 345 116.853 116.853 119.340 -2.487 17741 646 1 2 . 1 1 15 15 LEU HA H 345 3.504 3.504 3.778 -0.274 17741 647 1 2 . 1 1 15 15 LEU C C 345 178.149 178.149 178.381 -0.232 17741 648 1 2 . 1 1 15 15 LEU CA C 345 56.473 56.473 56.906 -0.433 17741 649 1 2 . 1 1 15 15 LEU CB C 345 41.322 41.322 40.347 0.975 17741 650 1 2 . 1 1 15 15 LEU H H 345 7.503 7.503 8.427 -0.924 17741 651 1 2 . 1 1 16 16 SER N N 346 112.491 112.491 109.852 2.639 17741 652 1 2 . 1 1 16 16 SER HA H 346 4.522 4.522 4.607 -0.085 17741 653 1 2 . 1 1 16 16 SER C C 346 172.441 172.441 174.494 -2.053 17741 654 1 2 . 1 1 16 16 SER CA C 346 58.859 58.859 59.038 -0.179 17741 655 1 2 . 1 1 16 16 SER CB C 346 63.987 63.987 63.808 0.179 17741 656 1 2 . 1 1 16 16 SER H H 346 7.277 7.277 7.618 -0.341 17741 657 1 2 . 1 1 17 17 ASP N N 347 122.161 122.161 121.513 0.648 17741 658 1 2 . 1 1 17 17 ASP HA H 347 4.966 4.966 4.858 0.108 17741 659 1 2 . 1 1 17 17 ASP C C 347 175.692 175.692 176.206 -0.514 17741 660 1 2 . 1 1 17 17 ASP CA C 347 52.805 52.805 53.307 -0.502 17741 661 1 2 . 1 1 17 17 ASP CB C 347 43.392 43.392 43.526 -0.134 17741 662 1 2 . 1 1 17 17 ASP H H 347 7.345 7.345 7.608 -0.263 17741 663 1 2 . 1 1 18 18 SER N N 348 120.164 120.164 121.474 -1.310 17741 664 1 2 . 1 1 18 18 SER HA H 348 4.356 4.356 4.270 0.086 17741 665 1 2 . 1 1 18 18 SER C C 348 176.200 176.200 176.151 0.049 17741 666 1 2 . 1 1 18 18 SER CA C 348 61.207 61.207 60.019 1.188 17741 667 1 2 . 1 1 18 18 SER CB C 348 63.226 63.226 63.278 -0.052 17741 668 1 2 . 1 1 18 18 SER H H 348 8.686 8.686 8.886 -0.200 17741 669 1 2 . 1 1 19 19 ARG N N 349 122.701 122.701 121.817 0.884 17741 670 1 2 . 1 1 19 19 ARG HA H 349 4.105 4.105 3.969 0.136 17741 671 1 2 . 1 1 19 19 ARG C C 349 178.120 178.120 176.968 1.152 17741 672 1 2 . 1 1 19 19 ARG CA C 349 58.604 58.604 58.168 0.436 17741 673 1 2 . 1 1 19 19 ARG CB C 349 29.854 29.854 29.583 0.271 17741 674 1 2 . 1 1 19 19 ARG H H 349 8.597 8.597 8.632 -0.035 17741 675 1 2 . 1 1 20 20 TYR N N 350 116.257 116.257 116.442 -0.185 17741 676 1 2 . 1 1 20 20 TYR HA H 350 4.884 4.884 4.648 0.236 17741 677 1 2 . 1 1 20 20 TYR C C 350 176.977 176.977 175.440 1.537 17741 678 1 2 . 1 1 20 20 TYR CA C 350 58.758 58.758 56.662 2.096 17741 679 1 2 . 1 1 20 20 TYR CB C 350 37.602 37.602 38.832 -1.230 17741 680 1 2 . 1 1 20 20 TYR H H 350 8.285 8.285 7.433 0.852 17741 681 1 2 . 1 1 21 21 GLU N N 351 120.807 120.807 120.858 -0.051 17741 682 1 2 . 1 1 21 21 GLU HA H 351 4.454 4.454 4.375 0.079 17741 683 1 2 . 1 1 21 21 GLU C C 351 176.277 176.277 177.428 -1.151 17741 684 1 2 . 1 1 21 21 GLU CA C 351 59.135 59.135 58.432 0.703 17741 685 1 2 . 1 1 21 21 GLU CB C 351 29.674 29.674 28.822 0.852 17741 686 1 2 . 1 1 21 21 GLU H H 351 7.527 7.527 7.648 -0.121 17741 687 1 2 . 1 1 22 22 ASN N N 352 114.501 114.501 116.177 -1.676 17741 688 1 2 . 1 1 22 22 ASN HA H 352 4.471 4.471 4.526 -0.055 17741 689 1 2 . 1 1 22 22 ASN C C 352 174.426 174.426 175.884 -1.458 17741 690 1 2 . 1 1 22 22 ASN CA C 352 54.002 54.002 54.510 -0.508 17741 691 1 2 . 1 1 22 22 ASN CB C 352 36.943 36.943 38.625 -1.682 17741 692 1 2 . 1 1 22 22 ASN H H 352 8.647 8.647 8.028 0.619 17741 693 1 2 . 1 1 23 23 PHE N N 353 115.528 115.528 115.981 -0.453 17741 694 1 2 . 1 1 23 23 PHE HA H 353 4.751 4.751 4.779 -0.028 17741 695 1 2 . 1 1 23 23 PHE C C 353 176.374 176.374 175.677 0.697 17741 696 1 2 . 1 1 23 23 PHE CA C 353 59.617 59.617 57.807 1.810 17741 697 1 2 . 1 1 23 23 PHE CB C 353 41.431 41.431 41.066 0.365 17741 698 1 2 . 1 1 23 23 PHE H H 353 8.578 8.578 7.723 0.855 17741 699 1 2 . 1 1 24 24 ILE N N 354 120.520 120.520 118.586 1.934 17741 700 1 2 . 1 1 24 24 ILE HA H 354 5.063 5.063 5.059 0.004 17741 701 1 2 . 1 1 24 24 ILE C C 354 170.331 170.331 172.972 -2.641 17741 702 1 2 . 1 1 24 24 ILE CA C 354 59.835 59.835 60.689 -0.854 17741 703 1 2 . 1 1 24 24 ILE CB C 354 40.605 40.605 41.964 -1.359 17741 704 1 2 . 1 1 24 24 ILE H H 354 8.436 8.436 8.636 -0.200 17741 705 1 2 . 1 1 25 25 ARG N N 355 121.401 121.401 121.624 -0.223 17741 706 1 2 . 1 1 25 25 ARG HA H 355 4.916 4.916 4.857 0.059 17741 707 1 2 . 1 1 25 25 ARG C C 355 175.099 175.099 174.083 1.016 17741 708 1 2 . 1 1 25 25 ARG CA C 355 54.461 54.461 54.883 -0.422 17741 709 1 2 . 1 1 25 25 ARG CB C 355 33.662 33.662 33.771 -0.109 17741 710 1 2 . 1 1 25 25 ARG H H 355 8.668 8.668 9.105 -0.437 17741 711 1 2 . 1 1 26 26 TRP N N 356 122.022 122.022 123.801 -1.779 17741 712 1 2 . 1 1 26 26 TRP HA H 356 4.894 4.894 4.848 0.046 17741 713 1 2 . 1 1 26 26 TRP C C 356 176.606 176.606 176.899 -0.293 17741 714 1 2 . 1 1 26 26 TRP CA C 356 57.835 57.835 57.727 0.108 17741 715 1 2 . 1 1 26 26 TRP CB C 356 30.564 30.564 29.703 0.862 17741 716 1 2 . 1 1 26 26 TRP H H 356 9.149 9.149 9.041 0.108 17741 717 1 2 . 1 1 27 27 GLU N N 357 125.415 125.415 124.049 1.366 17741 718 1 2 . 1 1 27 27 GLU HA H 357 4.686 4.686 4.490 0.196 17741 719 1 2 . 1 1 27 27 GLU C C 357 176.709 176.709 176.480 0.229 17741 720 1 2 . 1 1 27 27 GLU CA C 357 56.939 56.939 57.847 -0.908 17741 721 1 2 . 1 1 27 27 GLU CB C 357 31.545 31.545 31.019 0.526 17741 722 1 2 . 1 1 27 27 GLU H H 357 9.524 9.524 9.070 0.454 17741 723 1 2 . 1 1 28 28 ASP N N 358 116.214 116.214 121.193 -4.979 17741 724 1 2 . 1 1 28 28 ASP HA H 358 4.759 4.759 4.908 -0.149 17741 725 1 2 . 1 1 28 28 ASP C C 358 176.124 176.124 175.730 0.394 17741 726 1 2 . 1 1 28 28 ASP CA C 358 53.481 53.481 53.499 -0.018 17741 727 1 2 . 1 1 28 28 ASP CB C 358 41.921 41.921 42.122 -0.201 17741 728 1 2 . 1 1 28 28 ASP H H 358 7.828 7.828 8.461 -0.633 17741 729 1 2 . 1 1 29 29 LYS N N 359 127.750 127.750 125.657 2.093 17741 730 1 2 . 1 1 29 29 LYS HA H 359 3.162 3.162 2.746 0.416 17741 731 1 2 . 1 1 29 29 LYS C C 359 178.683 178.683 177.388 1.295 17741 732 1 2 . 1 1 29 29 LYS CA C 359 60.173 60.173 59.217 0.956 17741 733 1 2 . 1 1 29 29 LYS CB C 359 32.728 32.728 32.058 0.670 17741 734 1 2 . 1 1 29 29 LYS H H 359 9.221 9.221 8.649 0.572 17741 735 1 2 . 1 1 30 30 GLU N N 360 119.608 119.608 117.404 2.204 17741 736 1 2 . 1 1 30 30 GLU HA H 360 3.923 3.923 4.115 -0.192 17741 737 1 2 . 1 1 30 30 GLU C C 360 178.598 178.598 177.998 0.600 17741 738 1 2 . 1 1 30 30 GLU CA C 360 59.512 59.512 58.130 1.382 17741 739 1 2 . 1 1 30 30 GLU CB C 360 29.188 29.188 28.841 0.346 17741 740 1 2 . 1 1 30 30 GLU H H 360 8.343 8.343 8.492 -0.149 17741 741 1 2 . 1 1 31 31 SER N N 361 113.313 113.313 113.817 -0.504 17741 742 1 2 . 1 1 31 31 SER HA H 361 4.485 4.485 4.524 -0.039 17741 743 1 2 . 1 1 31 31 SER C C 361 172.284 172.284 173.253 -0.969 17741 744 1 2 . 1 1 31 31 SER CA C 361 58.745 58.745 58.491 0.254 17741 745 1 2 . 1 1 31 31 SER CB C 361 63.728 63.728 63.647 0.081 17741 746 1 2 . 1 1 31 31 SER H H 361 7.466 7.466 7.619 -0.153 17741 747 1 2 . 1 1 32 32 LYS N N 362 115.197 115.197 116.940 -1.743 17741 748 1 2 . 1 1 32 32 LYS HA H 362 3.894 3.894 3.928 -0.034 17741 749 1 2 . 1 1 32 32 LYS C C 362 175.489 175.489 175.469 0.020 17741 750 1 2 . 1 1 32 32 LYS CA C 362 57.641 57.641 57.456 0.185 17741 751 1 2 . 1 1 32 32 LYS CB C 362 29.811 29.811 29.791 0.020 17741 752 1 2 . 1 1 32 32 LYS H H 362 7.741 7.741 7.429 0.312 17741 753 1 2 . 1 1 33 33 ILE N N 363 118.359 118.359 119.535 -1.176 17741 754 1 2 . 1 1 33 33 ILE HA H 363 5.356 5.356 5.114 0.242 17741 755 1 2 . 1 1 33 33 ILE C C 363 177.019 177.019 175.713 1.306 17741 756 1 2 . 1 1 33 33 ILE CA C 363 60.455 60.455 61.108 -0.653 17741 757 1 2 . 1 1 33 33 ILE CB C 363 40.081 40.081 39.551 0.530 17741 758 1 2 . 1 1 33 33 ILE H H 363 8.268 8.268 8.390 -0.122 17741 759 1 2 . 1 1 34 34 PHE N N 364 128.287 128.287 125.660 2.627 17741 760 1 2 . 1 1 34 34 PHE HA H 364 5.576 5.576 5.702 -0.126 17741 761 1 2 . 1 1 34 34 PHE C C 364 170.447 170.447 172.961 -2.514 17741 762 1 2 . 1 1 34 34 PHE CA C 364 55.128 55.128 55.376 -0.248 17741 763 1 2 . 1 1 34 34 PHE CB C 364 44.010 44.010 42.868 1.142 17741 764 1 2 . 1 1 34 34 PHE H H 364 9.962 9.962 9.493 0.469 17741 765 1 2 . 1 1 35 35 ARG N N 365 120.900 120.900 121.639 -0.739 17741 766 1 2 . 1 1 35 35 ARG HA H 365 5.486 5.486 5.104 0.382 17741 767 1 2 . 1 1 35 35 ARG C C 365 176.462 176.462 175.387 1.075 17741 768 1 2 . 1 1 35 35 ARG CA C 365 53.609 53.609 53.725 -0.116 17741 769 1 2 . 1 1 35 35 ARG CB C 365 36.518 36.518 33.142 3.376 17741 770 1 2 . 1 1 35 35 ARG H H 365 9.427 9.427 9.308 0.119 17741 771 1 2 . 1 1 36 36 ILE N N 366 125.534 125.534 128.038 -2.504 17741 772 1 2 . 1 1 36 36 ILE HA H 366 4.209 4.209 4.234 -0.025 17741 773 1 2 . 1 1 36 36 ILE C C 366 173.899 173.899 175.476 -1.577 17741 774 1 2 . 1 1 36 36 ILE CA C 366 63.033 63.033 62.676 0.357 17741 775 1 2 . 1 1 36 36 ILE CB C 366 37.889 37.889 37.733 0.156 17741 776 1 2 . 1 1 36 36 ILE H H 366 8.643 8.643 9.027 -0.384 17741 777 1 2 . 1 1 37 37 VAL N N 367 129.194 129.194 128.459 0.735 17741 778 1 2 . 1 1 37 37 VAL HA H 367 3.679 3.679 3.921 -0.242 17741 779 1 2 . 1 1 37 37 VAL C C 367 175.919 175.919 176.233 -0.314 17741 780 1 2 . 1 1 37 37 VAL CA C 367 64.068 64.068 64.563 -0.495 17741 781 1 2 . 1 1 37 37 VAL CB C 367 32.884 32.884 32.483 0.401 17741 782 1 2 . 1 1 37 37 VAL H H 367 7.841 7.841 8.418 -0.577 17741 783 1 2 . 1 1 38 38 ASP N N 368 114.969 114.969 117.412 -2.443 17741 784 1 2 . 1 1 38 38 ASP HA H 368 5.222 5.222 5.058 0.164 17741 785 1 2 . 1 1 38 38 ASP C C 368 173.227 173.227 174.499 -1.272 17741 786 1 2 . 1 1 38 38 ASP CA C 368 50.238 50.238 51.155 -0.917 17741 787 1 2 . 1 1 38 38 ASP CB C 368 42.181 42.181 42.630 -0.449 17741 788 1 2 . 1 1 38 38 ASP H H 368 7.316 7.316 8.093 -0.777 17741 789 1 2 . 1 1 39 39 PRO HA H 369 3.809 3.809 4.078 -0.269 17741 790 1 2 . 1 1 39 39 PRO C C 369 177.958 177.958 178.422 -0.464 17741 791 1 2 . 1 1 39 39 PRO CA C 369 65.612 65.612 65.059 0.553 17741 792 1 2 . 1 1 39 39 PRO CB C 369 31.068 31.068 31.741 -0.673 17741 793 1 2 . 1 1 40 40 ASN N N 370 115.480 115.480 117.602 -2.122 17741 794 1 2 . 1 1 40 40 ASN HA H 370 4.604 4.604 4.535 0.069 17741 795 1 2 . 1 1 40 40 ASN C C 370 178.566 178.566 177.796 0.770 17741 796 1 2 . 1 1 40 40 ASN CA C 370 56.471 56.471 56.004 0.467 17741 797 1 2 . 1 1 40 40 ASN CB C 370 38.068 38.068 37.959 0.109 17741 798 1 2 . 1 1 40 40 ASN H H 370 8.094 8.094 8.094 -0.000 17741 799 1 2 . 1 1 41 41 GLY N N 371 111.371 111.371 108.216 3.155 17741 800 1 2 . 1 1 41 41 GLY C C 371 176.018 176.018 175.765 0.253 17741 801 1 2 . 1 1 41 41 GLY CA C 371 47.862 47.862 46.367 1.494 17741 802 1 2 . 1 1 41 41 GLY H H 371 8.632 8.632 9.045 -0.413 17741 803 1 2 . 1 1 42 42 LEU N N 372 122.901 122.901 122.149 0.752 17741 804 1 2 . 1 1 42 42 LEU HA H 372 4.035 4.035 4.223 -0.188 17741 805 1 2 . 1 1 42 42 LEU C C 372 177.704 177.704 178.599 -0.895 17741 806 1 2 . 1 1 42 42 LEU CA C 372 57.913 57.913 56.984 0.929 17741 807 1 2 . 1 1 42 42 LEU CB C 372 42.136 42.136 41.312 0.824 17741 808 1 2 . 1 1 42 42 LEU H H 372 8.876 8.876 8.015 0.861 17741 809 1 2 . 1 1 43 43 ALA N N 373 120.103 120.103 121.988 -1.885 17741 810 1 2 . 1 1 43 43 ALA HA H 373 4.462 4.462 4.220 0.242 17741 811 1 2 . 1 1 43 43 ALA C C 373 179.091 179.091 179.159 -0.068 17741 812 1 2 . 1 1 43 43 ALA CA C 373 55.441 55.441 55.279 0.162 17741 813 1 2 . 1 1 43 43 ALA CB C 373 18.098 18.098 18.653 -0.555 17741 814 1 2 . 1 1 43 43 ALA H H 373 8.062 8.062 8.530 -0.468 17741 815 1 2 . 1 1 44 44 ARG N N 374 118.071 118.071 118.365 -0.294 17741 816 1 2 . 1 1 44 44 ARG HA H 374 4.117 4.117 4.085 0.032 17741 817 1 2 . 1 1 44 44 ARG C C 374 179.414 179.414 178.244 1.170 17741 818 1 2 . 1 1 44 44 ARG CA C 374 59.297 59.297 58.999 0.298 17741 819 1 2 . 1 1 44 44 ARG CB C 374 30.069 30.069 29.716 0.353 17741 820 1 2 . 1 1 44 44 ARG H H 374 7.725 7.725 7.913 -0.188 17741 821 1 2 . 1 1 45 45 LEU N N 375 121.601 121.601 121.698 -0.097 17741 822 1 2 . 1 1 45 45 LEU HA H 375 4.015 4.015 4.215 -0.200 17741 823 1 2 . 1 1 45 45 LEU C C 375 180.087 180.087 178.919 1.168 17741 824 1 2 . 1 1 45 45 LEU CA C 375 58.553 58.553 58.326 0.227 17741 825 1 2 . 1 1 45 45 LEU CB C 375 41.495 41.495 41.382 0.113 17741 826 1 2 . 1 1 45 45 LEU H H 375 7.877 7.877 7.537 0.340 17741 827 1 2 . 1 1 46 46 TRP N N 376 121.543 121.543 121.050 0.493 17741 828 1 2 . 1 1 46 46 TRP HA H 376 4.333 4.333 3.964 0.369 17741 829 1 2 . 1 1 46 46 TRP C C 376 177.572 177.572 178.450 -0.878 17741 830 1 2 . 1 1 46 46 TRP CA C 376 59.091 59.091 59.344 -0.253 17741 831 1 2 . 1 1 46 46 TRP CB C 376 30.305 30.305 29.713 0.592 17741 832 1 2 . 1 1 46 46 TRP H H 376 8.615 8.615 8.541 0.074 17741 833 1 2 . 1 1 47 47 GLY N N 377 105.532 105.532 105.661 -0.129 17741 834 1 2 . 1 1 47 47 GLY C C 377 176.057 176.057 176.035 0.022 17741 835 1 2 . 1 1 47 47 GLY CA C 377 48.035 48.035 46.788 1.248 17741 836 1 2 . 1 1 47 47 GLY H H 377 8.877 8.877 8.867 0.010 17741 837 1 2 . 1 1 48 48 ASN N N 378 119.996 119.996 120.186 -0.190 17741 838 1 2 . 1 1 48 48 ASN HA H 378 4.403 4.403 4.463 -0.060 17741 839 1 2 . 1 1 48 48 ASN C C 378 178.112 178.112 176.773 1.339 17741 840 1 2 . 1 1 48 48 ASN CA C 378 56.229 56.229 56.361 -0.132 17741 841 1 2 . 1 1 48 48 ASN CB C 378 38.272 38.272 38.657 -0.385 17741 842 1 2 . 1 1 48 48 ASN H H 378 8.176 8.176 8.229 -0.053 17741 843 1 2 . 1 1 49 49 HIS N N 379 121.459 121.459 118.550 2.909 17741 844 1 2 . 1 1 49 49 HIS HA H 379 4.129 4.129 4.290 -0.161 17741 845 1 2 . 1 1 49 49 HIS C C 379 175.858 175.858 176.199 -0.341 17741 846 1 2 . 1 1 49 49 HIS CA C 379 59.234 59.234 58.712 0.522 17741 847 1 2 . 1 1 49 49 HIS CB C 379 29.473 29.473 29.761 -0.288 17741 848 1 2 . 1 1 49 49 HIS H H 379 8.138 8.138 8.333 -0.195 17741 849 1 2 . 1 1 50 50 LYS N N 380 115.130 115.130 115.697 -0.567 17741 850 1 2 . 1 1 50 50 LYS HA H 380 3.797 3.797 4.026 -0.229 17741 851 1 2 . 1 1 50 50 LYS C C 380 175.468 175.468 175.363 0.105 17741 852 1 2 . 1 1 50 50 LYS CA C 380 54.085 54.085 55.669 -1.584 17741 853 1 2 . 1 1 50 50 LYS CB C 380 30.887 30.887 32.896 -2.009 17741 854 1 2 . 1 1 50 50 LYS H H 380 7.552 7.552 7.729 -0.177 17741 855 1 2 . 1 1 51 51 ASN N N 381 116.632 116.632 117.445 -0.813 17741 856 1 2 . 1 1 51 51 ASN HA H 381 4.264 4.264 4.293 -0.029 17741 857 1 2 . 1 1 51 51 ASN C C 381 174.332 174.332 173.959 0.373 17741 858 1 2 . 1 1 51 51 ASN CA C 381 54.189 54.189 53.936 0.253 17741 859 1 2 . 1 1 51 51 ASN CB C 381 37.343 37.343 37.006 0.337 17741 860 1 2 . 1 1 51 51 ASN H H 381 7.715 7.715 7.760 -0.045 17741 861 1 2 . 1 1 52 52 ARG N N 382 117.701 117.701 118.725 -1.024 17741 862 1 2 . 1 1 52 52 ARG HA H 382 4.583 4.583 4.668 -0.085 17741 863 1 2 . 1 1 52 52 ARG C C 382 176.172 176.172 176.720 -0.548 17741 864 1 2 . 1 1 52 52 ARG CA C 382 54.167 54.167 54.106 0.061 17741 865 1 2 . 1 1 52 52 ARG CB C 382 31.882 31.882 31.344 0.538 17741 866 1 2 . 1 1 52 52 ARG H H 382 8.465 8.465 8.185 0.280 17741 867 1 2 . 1 1 53 53 THR N N 383 114.338 114.338 117.955 -3.617 17741 868 1 2 . 1 1 53 53 THR HA H 383 4.208 4.208 4.207 0.001 17741 869 1 2 . 1 1 53 53 THR C C 383 174.496 174.496 174.768 -0.272 17741 870 1 2 . 1 1 53 53 THR CA C 383 62.345 62.345 64.508 -2.163 17741 871 1 2 . 1 1 53 53 THR CB C 383 69.699 69.699 69.135 0.564 17741 872 1 2 . 1 1 53 53 THR H H 383 8.274 8.274 8.520 -0.246 17741 873 1 2 . 1 1 54 54 ASN N N 384 119.031 119.031 118.019 1.012 17741 874 1 2 . 1 1 54 54 ASN HA H 384 4.607 4.607 4.816 -0.209 17741 875 1 2 . 1 1 54 54 ASN C C 384 174.829 174.829 173.747 1.082 17741 876 1 2 . 1 1 54 54 ASN CA C 384 53.155 53.155 52.916 0.239 17741 877 1 2 . 1 1 54 54 ASN CB C 384 37.871 37.871 38.395 -0.524 17741 878 1 2 . 1 1 54 54 ASN H H 384 8.457 8.457 8.164 0.293 17741 879 1 2 . 1 1 55 55 MET N N 385 119.922 119.922 120.471 -0.549 17741 880 1 2 . 1 1 55 55 MET HA H 385 4.558 4.558 4.403 0.155 17741 881 1 2 . 1 1 55 55 MET C C 385 174.921 174.921 175.008 -0.087 17741 882 1 2 . 1 1 55 55 MET CA C 385 55.271 55.271 55.868 -0.598 17741 883 1 2 . 1 1 55 55 MET CB C 385 30.991 30.991 33.166 -2.175 17741 884 1 2 . 1 1 55 55 MET H H 385 8.073 8.073 7.386 0.687 17741 885 1 2 . 1 1 56 56 THR N N 386 113.771 113.771 116.887 -3.116 17741 886 1 2 . 1 1 56 56 THR HA H 386 4.693 4.693 4.638 0.055 17741 887 1 2 . 1 1 56 56 THR C C 386 175.459 175.459 174.328 1.131 17741 888 1 2 . 1 1 56 56 THR CA C 386 59.043 59.043 59.643 -0.600 17741 889 1 2 . 1 1 56 56 THR CB C 386 72.393 72.393 71.645 0.748 17741 890 1 2 . 1 1 56 56 THR H H 386 7.076 7.076 7.842 -0.766 17741 891 1 2 . 1 1 57 57 TYR N N 387 123.521 123.521 122.103 1.418 17741 892 1 2 . 1 1 57 57 TYR HA H 387 4.127 4.127 4.187 -0.060 17741 893 1 2 . 1 1 57 57 TYR C C 387 177.432 177.432 177.167 0.265 17741 894 1 2 . 1 1 57 57 TYR CA C 387 62.527 62.527 61.574 0.953 17741 895 1 2 . 1 1 57 57 TYR CB C 387 37.289 37.289 38.937 -1.647 17741 896 1 2 . 1 1 57 57 TYR H H 387 9.726 9.726 9.197 0.529 17741 897 1 2 . 1 1 58 58 GLU N N 388 121.083 121.083 119.470 1.613 17741 898 1 2 . 1 1 58 58 GLU HA H 388 3.825 3.825 3.781 0.044 17741 899 1 2 . 1 1 58 58 GLU C C 388 179.225 179.225 178.807 0.418 17741 900 1 2 . 1 1 58 58 GLU CA C 388 60.476 60.476 60.026 0.450 17741 901 1 2 . 1 1 58 58 GLU CB C 388 29.087 29.087 28.980 0.107 17741 902 1 2 . 1 1 58 58 GLU H H 388 8.843 8.843 8.328 0.515 17741 903 1 2 . 1 1 59 59 LYS N N 389 119.209 119.209 118.613 0.596 17741 904 1 2 . 1 1 59 59 LYS HA H 389 3.971 3.971 4.003 -0.032 17741 905 1 2 . 1 1 59 59 LYS C C 389 179.944 179.944 178.987 0.957 17741 906 1 2 . 1 1 59 59 LYS CA C 389 59.897 59.897 58.985 0.912 17741 907 1 2 . 1 1 59 59 LYS CB C 389 33.359 33.359 32.014 1.345 17741 908 1 2 . 1 1 59 59 LYS H H 389 7.605 7.605 7.436 0.169 17741 909 1 2 . 1 1 60 60 MET N N 390 122.401 122.401 120.750 1.651 17741 910 1 2 . 1 1 60 60 MET HA H 390 3.944 3.944 3.927 0.017 17741 911 1 2 . 1 1 60 60 MET C C 390 177.716 177.716 177.364 0.352 17741 912 1 2 . 1 1 60 60 MET CA C 390 59.547 59.547 59.017 0.530 17741 913 1 2 . 1 1 60 60 MET CB C 390 33.315 33.315 32.314 1.001 17741 914 1 2 . 1 1 60 60 MET H H 390 8.229 8.229 7.567 0.662 17741 915 1 2 . 1 1 61 61 SER N N 391 114.652 114.652 114.962 -0.310 17741 916 1 2 . 1 1 61 61 SER HA H 391 3.771 3.771 3.678 0.093 17741 917 1 2 . 1 1 61 61 SER C C 391 176.449 176.449 176.198 0.251 17741 918 1 2 . 1 1 61 61 SER CA C 391 61.554 61.554 61.296 0.258 17741 919 1 2 . 1 1 61 61 SER CB C 391 62.278 62.278 62.748 -0.470 17741 920 1 2 . 1 1 61 61 SER H H 391 8.829 8.829 8.303 0.526 17741 921 1 2 . 1 1 62 62 ARG N N 392 122.213 122.213 120.245 1.968 17741 922 1 2 . 1 1 62 62 ARG HA H 392 3.945 3.945 3.805 0.140 17741 923 1 2 . 1 1 62 62 ARG C C 392 178.600 178.600 178.356 0.244 17741 924 1 2 . 1 1 62 62 ARG CA C 392 59.571 59.571 58.590 0.981 17741 925 1 2 . 1 1 62 62 ARG CB C 392 29.914 29.914 29.227 0.687 17741 926 1 2 . 1 1 62 62 ARG H H 392 7.413 7.413 7.942 -0.529 17741 927 1 2 . 1 1 63 63 ALA N N 393 122.327 122.327 121.850 0.477 17741 928 1 2 . 1 1 63 63 ALA HA H 393 4.157 4.157 3.724 0.433 17741 929 1 2 . 1 1 63 63 ALA C C 393 180.147 180.147 179.180 0.967 17741 930 1 2 . 1 1 63 63 ALA CA C 393 54.749 54.749 54.565 0.184 17741 931 1 2 . 1 1 63 63 ALA CB C 393 18.529 18.529 17.884 0.644 17741 932 1 2 . 1 1 63 63 ALA H H 393 7.256 7.256 7.272 -0.016 17741 933 1 2 . 1 1 64 64 LEU N N 394 117.582 117.582 118.132 -0.550 17741 934 1 2 . 1 1 64 64 LEU HA H 394 3.769 3.769 3.492 0.277 17741 935 1 2 . 1 1 64 64 LEU C C 394 178.139 178.139 178.705 -0.566 17741 936 1 2 . 1 1 64 64 LEU CA C 394 58.012 58.012 57.351 0.661 17741 937 1 2 . 1 1 64 64 LEU CB C 394 41.396 41.396 41.107 0.289 17741 938 1 2 . 1 1 64 64 LEU H H 394 7.768 7.768 7.622 0.146 17741 939 1 2 . 1 1 65 65 ARG N N 395 116.204 116.204 116.798 -0.594 17741 940 1 2 . 1 1 65 65 ARG HA H 395 3.445 3.445 3.301 0.144 17741 941 1 2 . 1 1 65 65 ARG C C 395 179.423 179.423 179.286 0.137 17741 942 1 2 . 1 1 65 65 ARG CA C 395 58.829 58.829 58.639 0.190 17741 943 1 2 . 1 1 65 65 ARG CB C 395 29.776 29.776 29.552 0.224 17741 944 1 2 . 1 1 65 65 ARG H H 395 7.595 7.595 8.234 -0.639 17741 945 1 2 . 1 1 66 66 HIS N N 396 118.573 118.573 120.195 -1.622 17741 946 1 2 . 1 1 66 66 HIS HA H 396 4.401 4.401 4.399 0.002 17741 947 1 2 . 1 1 66 66 HIS C C 396 177.218 177.218 177.311 -0.093 17741 948 1 2 . 1 1 66 66 HIS CA C 396 58.821 58.821 58.915 -0.094 17741 949 1 2 . 1 1 66 66 HIS CB C 396 29.753 29.753 29.872 -0.119 17741 950 1 2 . 1 1 66 66 HIS H H 396 7.362 7.362 7.688 -0.326 17741 951 1 2 . 1 1 67 67 TYR N N 397 115.773 115.773 119.401 -3.628 17741 952 1 2 . 1 1 67 67 TYR HA H 397 4.259 4.259 4.123 0.136 17741 953 1 2 . 1 1 67 67 TYR C C 397 178.802 178.802 178.270 0.532 17741 954 1 2 . 1 1 67 67 TYR CA C 397 60.329 60.329 59.694 0.635 17741 955 1 2 . 1 1 67 67 TYR CB C 397 37.379 37.379 36.781 0.598 17741 956 1 2 . 1 1 67 67 TYR H H 397 7.568 7.568 8.073 -0.505 17741 957 1 2 . 1 1 68 68 TYR N N 398 121.825 121.825 118.682 3.143 17741 958 1 2 . 1 1 68 68 TYR HA H 398 5.413 5.413 4.897 0.516 17741 959 1 2 . 1 1 68 68 TYR C C 398 181.169 181.169 179.031 2.138 17741 960 1 2 . 1 1 68 68 TYR CA C 398 57.775 57.775 58.780 -1.005 17741 961 1 2 . 1 1 68 68 TYR CB C 398 36.972 36.972 37.304 -0.332 17741 962 1 2 . 1 1 68 68 TYR H H 398 8.116 8.116 7.829 0.287 17741 963 1 2 . 1 1 69 69 LYS N N 399 120.934 120.934 119.037 1.897 17741 964 1 2 . 1 1 69 69 LYS HA H 399 4.127 4.127 4.149 -0.022 17741 965 1 2 . 1 1 69 69 LYS C C 399 177.928 177.928 178.042 -0.114 17741 966 1 2 . 1 1 69 69 LYS CA C 399 58.912 58.912 59.155 -0.243 17741 967 1 2 . 1 1 69 69 LYS CB C 399 32.188 32.188 32.402 -0.214 17741 968 1 2 . 1 1 69 69 LYS H H 399 7.771 7.771 7.605 0.166 17741 969 1 2 . 1 1 70 70 LEU N N 400 116.022 116.022 117.473 -1.451 17741 970 1 2 . 1 1 70 70 LEU HA H 400 4.291 4.291 4.305 -0.014 17741 971 1 2 . 1 1 70 70 LEU C C 400 175.827 175.827 176.064 -0.237 17741 972 1 2 . 1 1 70 70 LEU CA C 400 54.675 54.675 54.489 0.187 17741 973 1 2 . 1 1 70 70 LEU CB C 400 43.081 43.081 41.014 2.067 17741 974 1 2 . 1 1 70 70 LEU H H 400 7.144 7.144 7.615 -0.471 17741 975 1 2 . 1 1 71 71 ASN N N 401 115.201 115.201 114.094 1.107 17741 976 1 2 . 1 1 71 71 ASN HA H 401 4.352 4.352 4.404 -0.052 17741 977 1 2 . 1 1 71 71 ASN C C 401 173.517 173.517 174.561 -1.044 17741 978 1 2 . 1 1 71 71 ASN CA C 401 54.602 54.602 54.837 -0.235 17741 979 1 2 . 1 1 71 71 ASN CB C 401 37.381 37.381 36.431 0.951 17741 980 1 2 . 1 1 71 71 ASN H H 401 8.047 8.047 7.670 0.377 17741 981 1 2 . 1 1 72 72 ILE N N 402 113.907 113.907 115.556 -1.649 17741 982 1 2 . 1 1 72 72 ILE HA H 402 4.059 4.059 4.030 0.029 17741 983 1 2 . 1 1 72 72 ILE C C 402 176.279 176.279 175.464 0.815 17741 984 1 2 . 1 1 72 72 ILE CA C 402 63.797 63.797 62.637 1.160 17741 985 1 2 . 1 1 72 72 ILE CB C 402 40.395 40.395 39.874 0.521 17741 986 1 2 . 1 1 72 72 ILE H H 402 7.986 7.986 8.421 -0.435 17741 987 1 2 . 1 1 73 73 ILE N N 403 116.766 116.766 116.048 0.718 17741 988 1 2 . 1 1 73 73 ILE HA H 403 5.042 5.042 4.674 0.368 17741 989 1 2 . 1 1 73 73 ILE C C 403 173.945 173.945 174.164 -0.219 17741 990 1 2 . 1 1 73 73 ILE CA C 403 59.247 59.247 59.405 -0.158 17741 991 1 2 . 1 1 73 73 ILE CB C 403 43.414 43.414 42.096 1.319 17741 992 1 2 . 1 1 73 73 ILE H H 403 7.042 7.042 7.298 -0.256 17741 993 1 2 . 1 1 74 74 ARG N N 404 123.256 123.256 121.907 1.349 17741 994 1 2 . 1 1 74 74 ARG HA H 404 4.751 4.751 4.530 0.221 17741 995 1 2 . 1 1 74 74 ARG C C 404 174.757 174.757 173.635 1.122 17741 996 1 2 . 1 1 74 74 ARG CA C 404 54.274 54.274 54.605 -0.331 17741 997 1 2 . 1 1 74 74 ARG CB C 404 34.492 34.492 33.828 0.664 17741 998 1 2 . 1 1 74 74 ARG H H 404 8.931 8.931 9.270 -0.339 17741 999 1 2 . 1 1 75 75 LYS N N 405 125.627 125.627 122.191 3.436 17741 1000 1 2 . 1 1 75 75 LYS HA H 405 4.076 4.076 4.403 -0.327 17741 1001 1 2 . 1 1 75 75 LYS C C 405 176.481 176.481 176.253 0.228 17741 1002 1 2 . 1 1 75 75 LYS CA C 405 56.446 56.446 54.184 2.262 17741 1003 1 2 . 1 1 75 75 LYS CB C 405 32.758 32.758 33.682 -0.924 17741 1004 1 2 . 1 1 75 75 LYS H H 405 8.294 8.294 8.183 0.111 17741 1005 1 2 . 1 1 76 76 GLU N N 406 128.187 128.187 125.509 2.678 17741 1006 1 2 . 1 1 76 76 GLU HA H 406 4.447 4.447 4.436 0.011 17741 1007 1 2 . 1 1 76 76 GLU C C 406 174.401 174.401 175.075 -0.674 17741 1008 1 2 . 1 1 76 76 GLU CA C 406 53.751 53.751 53.690 0.061 17741 1009 1 2 . 1 1 76 76 GLU CB C 406 29.951 29.951 28.139 1.812 17741 1010 1 2 . 1 1 76 76 GLU H H 406 8.016 8.016 8.264 -0.248 17741 1011 1 2 . 1 1 77 77 PRO HA H 407 4.288 4.288 4.342 -0.054 17741 1012 1 2 . 1 1 77 77 PRO C C 407 177.654 177.654 177.006 0.648 17741 1013 1 2 . 1 1 77 77 PRO CA C 407 63.433 63.433 62.973 0.460 17741 1014 1 2 . 1 1 77 77 PRO CB C 407 32.152 32.152 31.168 0.984 17741 1015 1 2 . 1 1 78 78 GLY N N 408 109.679 109.679 114.813 -5.134 17741 1016 1 2 . 1 1 78 78 GLY C C 408 173.976 173.976 174.174 -0.198 17741 1017 1 2 . 1 1 78 78 GLY CA C 408 45.539 45.539 45.255 0.284 17741 1018 1 2 . 1 1 78 78 GLY H H 408 8.514 8.514 8.631 -0.117 17741 1019 1 2 . 1 1 79 79 GLN N N 409 116.897 116.897 117.746 -0.849 17741 1020 1 2 . 1 1 79 79 GLN HA H 409 4.489 4.489 4.550 -0.061 17741 1021 1 2 . 1 1 79 79 GLN C C 409 175.371 175.371 175.245 0.126 17741 1022 1 2 . 1 1 79 79 GLN CA C 409 54.472 54.472 54.715 -0.243 17741 1023 1 2 . 1 1 79 79 GLN CB C 409 31.301 31.301 30.747 0.555 17741 1024 1 2 . 1 1 79 79 GLN H H 409 7.572 7.572 7.635 -0.063 17741 1025 1 2 . 1 1 80 80 ARG N N 410 120.458 120.458 118.322 2.136 17741 1026 1 2 . 1 1 80 80 ARG HA H 410 4.275 4.275 4.466 -0.191 17741 1027 1 2 . 1 1 80 80 ARG C C 410 176.227 176.227 176.718 -0.491 17741 1028 1 2 . 1 1 80 80 ARG CA C 410 56.891 56.891 57.753 -0.862 17741 1029 1 2 . 1 1 80 80 ARG CB C 410 31.475 31.475 30.670 0.805 17741 1030 1 2 . 1 1 80 80 ARG H H 410 8.254 8.254 8.474 -0.220 17741 1031 1 2 . 1 1 81 81 LEU N N 411 119.424 119.424 120.706 -1.282 17741 1032 1 2 . 1 1 81 81 LEU HA H 411 4.048 4.048 4.504 -0.456 17741 1033 1 2 . 1 1 81 81 LEU C C 411 173.277 173.277 174.961 -1.684 17741 1034 1 2 . 1 1 81 81 LEU CA C 411 55.111 55.111 53.795 1.315 17741 1035 1 2 . 1 1 81 81 LEU CB C 411 40.298 40.298 42.108 -1.810 17741 1036 1 2 . 1 1 81 81 LEU H H 411 8.467 8.467 7.936 0.531 17741 1037 1 2 . 1 1 82 82 LEU N N 412 119.126 119.126 122.171 -3.045 17741 1038 1 2 . 1 1 82 82 LEU HA H 412 5.036 5.036 4.757 0.279 17741 1039 1 2 . 1 1 82 82 LEU C C 412 175.323 175.323 174.492 0.831 17741 1040 1 2 . 1 1 82 82 LEU CA C 412 53.175 53.175 53.492 -0.317 17741 1041 1 2 . 1 1 82 82 LEU CB C 412 45.482 45.482 43.362 2.120 17741 1042 1 2 . 1 1 82 82 LEU H H 412 6.769 6.769 7.603 -0.834 17741 1043 1 2 . 1 1 83 83 PHE N N 413 122.107 122.107 123.146 -1.039 17741 1044 1 2 . 1 1 83 83 PHE HA H 413 4.848 4.848 4.888 -0.040 17741 1045 1 2 . 1 1 83 83 PHE C C 413 172.764 172.764 173.584 -0.820 17741 1046 1 2 . 1 1 83 83 PHE CA C 413 55.848 55.848 56.300 -0.452 17741 1047 1 2 . 1 1 83 83 PHE CB C 413 44.675 44.675 43.060 1.615 17741 1048 1 2 . 1 1 83 83 PHE H H 413 8.648 8.648 9.027 -0.379 17741 1049 1 2 . 1 1 84 84 ARG N N 414 119.466 119.466 121.741 -2.275 17741 1050 1 2 . 1 1 84 84 ARG HA H 414 5.578 5.578 5.249 0.329 17741 1051 1 2 . 1 1 84 84 ARG C C 414 177.476 177.476 175.214 2.262 17741 1052 1 2 . 1 1 84 84 ARG CA C 414 54.198 54.198 54.268 -0.070 17741 1053 1 2 . 1 1 84 84 ARG CB C 414 36.128 36.128 33.397 2.731 17741 1054 1 2 . 1 1 84 84 ARG H H 414 9.117 9.117 9.001 0.116 17741 1055 1 2 . 1 1 85 85 PHE N N 415 124.357 124.357 128.594 -4.237 17741 1056 1 2 . 1 1 85 85 PHE HA H 415 5.037 5.037 4.748 0.289 17741 1057 1 2 . 1 1 85 85 PHE C C 415 176.084 176.084 176.396 -0.312 17741 1058 1 2 . 1 1 85 85 PHE CA C 415 59.719 59.719 59.915 -0.196 17741 1059 1 2 . 1 1 85 85 PHE CB C 415 40.812 40.812 39.142 1.670 17741 1060 1 2 . 1 1 85 85 PHE H H 415 8.984 8.984 9.657 -0.673 17741 1061 1 2 . 1 1 86 86 MET N N 416 121.301 121.301 124.619 -3.318 17741 1062 1 2 . 1 1 86 86 MET HA H 416 4.670 4.670 4.243 0.427 17741 1063 1 2 . 1 1 86 86 MET C C 416 176.543 176.543 176.447 0.096 17741 1064 1 2 . 1 1 86 86 MET CA C 416 54.863 54.863 57.900 -3.037 17741 1065 1 2 . 1 1 86 86 MET CB C 416 31.711 31.711 32.514 -0.803 17741 1066 1 2 . 1 1 86 86 MET H H 416 8.671 8.671 8.607 0.064 17741 1067 1 2 . 1 1 87 87 LYS N N 417 117.759 117.759 116.871 0.888 17741 1068 1 2 . 1 1 87 87 LYS HA H 417 4.856 4.856 4.741 0.115 17741 1069 1 2 . 1 1 87 87 LYS C C 417 175.445 175.445 175.131 0.314 17741 1070 1 2 . 1 1 87 87 LYS CA C 417 54.550 54.550 54.812 -0.262 17741 1071 1 2 . 1 1 87 87 LYS CB C 417 37.828 37.828 36.411 1.417 17741 1072 1 2 . 1 1 87 87 LYS H H 417 7.656 7.656 7.641 0.015 17741 1073 1 2 . 1 1 88 88 THR N N 418 112.506 112.506 111.373 1.133 17741 1074 1 2 . 1 1 88 88 THR HA H 418 4.372 4.372 4.981 -0.609 17741 1075 1 2 . 1 1 88 88 THR C C 418 173.594 173.594 173.938 -0.344 17741 1076 1 2 . 1 1 88 88 THR CA C 418 59.640 59.640 58.987 0.653 17741 1077 1 2 . 1 1 88 88 THR CB C 418 68.065 68.065 68.447 -0.382 17741 1078 1 2 . 1 1 88 88 THR H H 418 8.685 8.685 8.135 0.550 17741 1079 1 2 . 1 1 89 89 PRO HA H 419 3.748 3.748 3.934 -0.186 17741 1080 1 2 . 1 1 89 89 PRO C C 419 177.219 177.219 178.577 -1.358 17741 1081 1 2 . 1 1 89 89 PRO CA C 419 65.592 65.592 66.380 -0.788 17741 1082 1 2 . 1 1 89 89 PRO CB C 419 31.739 31.739 31.771 -0.032 17741 1083 1 2 . 1 1 90 90 ASP N N 420 114.631 114.631 115.296 -0.665 17741 1084 1 2 . 1 1 90 90 ASP HA H 420 4.265 4.265 4.361 -0.096 17741 1085 1 2 . 1 1 90 90 ASP C C 420 177.962 177.962 177.549 0.413 17741 1086 1 2 . 1 1 90 90 ASP CA C 420 56.371 56.371 56.869 -0.498 17741 1087 1 2 . 1 1 90 90 ASP CB C 420 40.662 40.662 40.646 0.016 17741 1088 1 2 . 1 1 90 90 ASP H H 420 7.962 7.962 8.394 -0.432 17741 1089 1 2 . 1 1 91 91 GLU N N 421 119.501 119.501 117.938 1.563 17741 1090 1 2 . 1 1 91 91 GLU HA H 421 4.043 4.043 4.139 -0.096 17741 1091 1 2 . 1 1 91 91 GLU C C 421 178.599 178.599 178.938 -0.339 17741 1092 1 2 . 1 1 91 91 GLU CA C 421 58.113 58.113 58.578 -0.465 17741 1093 1 2 . 1 1 91 91 GLU CB C 421 30.721 30.721 29.950 0.771 17741 1094 1 2 . 1 1 91 91 GLU H H 421 7.661 7.661 7.824 -0.163 17741 1095 1 2 . 1 1 92 92 ILE N N 422 120.594 120.594 120.412 0.182 17741 1096 1 2 . 1 1 92 92 ILE HA H 422 3.641 3.641 3.728 -0.087 17741 1097 1 2 . 1 1 92 92 ILE C C 422 177.752 177.752 177.471 0.281 17741 1098 1 2 . 1 1 92 92 ILE CA C 422 62.931 62.931 64.675 -1.744 17741 1099 1 2 . 1 1 92 92 ILE CB C 422 38.185 38.185 37.790 0.395 17741 1100 1 2 . 1 1 92 92 ILE H H 422 7.861 7.861 8.136 -0.275 17741 1101 1 2 . 1 1 93 93 MET N N 423 119.187 119.187 116.834 2.353 17741 1102 1 2 . 1 1 93 93 MET HA H 423 4.391 4.391 4.463 -0.072 17741 1103 1 2 . 1 1 93 93 MET C C 423 176.982 176.982 176.921 0.061 17741 1104 1 2 . 1 1 93 93 MET CA C 423 56.491 56.491 57.143 -0.652 17741 1105 1 2 . 1 1 93 93 MET CB C 423 32.584 32.584 32.374 0.210 17741 1106 1 2 . 1 1 93 93 MET H H 423 8.158 8.158 8.316 -0.158 17741 1107 1 2 . 1 1 94 94 SER N N 424 114.933 114.933 114.814 0.119 17741 1108 1 2 . 1 1 94 94 SER HA H 424 4.394 4.394 4.526 -0.132 17741 1109 1 2 . 1 1 94 94 SER C C 424 175.238 175.238 174.993 0.245 17741 1110 1 2 . 1 1 94 94 SER CA C 424 59.423 59.423 58.273 1.150 17741 1111 1 2 . 1 1 94 94 SER CB C 424 63.695 63.695 62.010 1.685 17741 1112 1 2 . 1 1 94 94 SER H H 424 7.854 7.854 7.747 0.107 17741 1113 1 2 . 1 1 95 95 GLY N N 425 110.045 110.045 110.827 -0.782 17741 1114 1 2 . 1 1 95 95 GLY C C 425 174.194 174.194 175.658 -1.464 17741 1115 1 2 . 1 1 95 95 GLY CA C 425 45.432 45.432 45.352 0.079 17741 1116 1 2 . 1 1 95 95 GLY H H 425 8.061 8.061 7.760 0.301 17741 1117 1 2 . 1 1 96 96 ARG N N 426 119.987 119.987 121.134 -1.147 17741 1118 1 2 . 1 1 96 96 ARG HA H 426 4.475 4.475 4.207 0.268 17741 1119 1 2 . 1 1 96 96 ARG C C 426 177.308 177.308 177.249 0.059 17741 1120 1 2 . 1 1 96 96 ARG CA C 426 56.195 56.195 58.135 -1.940 17741 1121 1 2 . 1 1 96 96 ARG CB C 426 30.354 30.354 30.145 0.209 17741 1122 1 2 . 1 1 96 96 ARG H H 426 8.092 8.092 7.724 0.368 17741 1123 1 2 . 1 1 97 97 THR N N 427 114.398 114.398 113.550 0.848 17741 1124 1 2 . 1 1 97 97 THR HA H 427 4.298 4.298 4.623 -0.325 17741 1125 1 2 . 1 1 97 97 THR C C 427 174.913 174.913 174.728 0.185 17741 1126 1 2 . 1 1 97 97 THR CA C 427 62.673 62.673 61.107 1.566 17741 1127 1 2 . 1 1 97 97 THR CB C 427 69.473 69.473 69.432 0.041 17741 1128 1 2 . 1 1 97 97 THR H H 427 8.319 8.319 7.785 0.534 17741 1129 1 2 . 1 1 98 98 ASP N N 428 121.983 121.983 122.991 -1.008 17741 1130 1 2 . 1 1 98 98 ASP HA H 428 4.508 4.508 4.522 -0.014 17741 1131 1 2 . 1 1 98 98 ASP C C 428 176.956 176.956 177.693 -0.737 17741 1132 1 2 . 1 1 98 98 ASP CA C 428 55.433 55.433 57.061 -1.628 17741 1133 1 2 . 1 1 98 98 ASP CB C 428 40.746 40.746 41.124 -0.378 17741 1134 1 2 . 1 1 98 98 ASP H H 428 8.488 8.488 8.669 -0.181 17741 1135 1 2 . 1 1 99 99 ARG N N 429 119.821 119.821 117.845 1.976 17741 1136 1 2 . 1 1 99 99 ARG HA H 429 4.277 4.277 4.227 0.050 17741 1137 1 2 . 1 1 99 99 ARG C C 429 177.078 177.078 178.363 -1.285 17741 1138 1 2 . 1 1 99 99 ARG CA C 429 56.984 56.984 58.288 -1.304 17741 1139 1 2 . 1 1 99 99 ARG CB C 429 30.224 30.224 30.331 -0.106 17741 1140 1 2 . 1 1 99 99 ARG H H 429 8.088 8.088 8.450 -0.362 17741 1141 1 2 . 1 1 100 100 LEU N N 430 120.887 120.887 121.613 -0.726 17741 1142 1 2 . 1 1 100 100 LEU HA H 430 4.176 4.176 4.218 -0.042 17741 1143 1 2 . 1 1 100 100 LEU C C 430 177.732 177.732 178.468 -0.736 17741 1144 1 2 . 1 1 100 100 LEU CA C 430 56.324 56.324 58.045 -1.721 17741 1145 1 2 . 1 1 100 100 LEU CB C 430 42.262 42.262 42.001 0.261 17741 1146 1 2 . 1 1 100 100 LEU H H 430 7.945 7.945 8.134 -0.189 17741 1147 1 2 . 1 1 101 101 GLU N N 431 119.799 119.799 116.617 3.182 17741 1148 1 2 . 1 1 101 101 GLU HA H 431 4.082 4.082 4.039 0.043 17741 1149 1 2 . 1 1 101 101 GLU C C 431 177.281 177.281 177.899 -0.618 17741 1150 1 2 . 1 1 101 101 GLU CA C 431 58.011 58.011 58.862 -0.851 17741 1151 1 2 . 1 1 101 101 GLU CB C 431 30.191 30.191 29.427 0.764 17741 1152 1 2 . 1 1 101 101 GLU H H 431 8.268 8.268 7.920 0.348 17741 1153 1 2 . 1 1 102 102 HIS N N 432 118.048 118.048 115.588 2.460 17741 1154 1 2 . 1 1 102 102 HIS HA H 432 4.584 4.584 4.445 0.139 17741 1155 1 2 . 1 1 102 102 HIS C C 432 175.678 175.678 177.310 -1.632 17741 1156 1 2 . 1 1 102 102 HIS CA C 432 56.571 56.571 58.451 -1.880 17741 1157 1 2 . 1 1 102 102 HIS CB C 432 29.352 29.352 30.165 -0.813 17741 1158 1 2 . 1 1 102 102 HIS H H 432 8.166 8.166 8.013 0.153 17741 1159 1 2 . 1 1 103 103 LEU N N 433 122.228 122.228 117.924 4.304 17741 1160 1 2 . 1 1 103 103 LEU HA H 433 4.176 4.176 4.107 0.069 17741 1161 1 2 . 1 1 103 103 LEU C C 433 177.904 177.904 178.787 -0.883 17741 1162 1 2 . 1 1 103 103 LEU CA C 433 56.237 56.237 57.060 -0.823 17741 1163 1 2 . 1 1 103 103 LEU CB C 433 42.305 42.305 41.828 0.477 17741 1164 1 2 . 1 1 103 103 LEU H H 433 8.072 8.072 7.549 0.523 17741 1165 1 2 . 1 1 104 104 GLU N N 434 119.413 119.413 118.085 1.328 17741 1166 1 2 . 1 1 104 104 GLU HA H 434 4.309 4.309 4.175 0.134 17741 1167 1 2 . 1 1 104 104 GLU C C 434 176.560 176.560 178.305 -1.745 17741 1168 1 2 . 1 1 104 104 GLU CA C 434 57.098 57.098 56.703 0.395 17741 1169 1 2 . 1 1 104 104 GLU CB C 434 30.301 30.301 28.755 1.546 17741 1170 1 2 . 1 1 104 104 GLU H H 434 8.331 8.331 8.004 0.327 17741 1171 1 2 . 1 1 105 105 SER N N 435 115.859 115.859 114.695 1.164 17741 1172 1 2 . 1 1 105 105 SER HA H 435 4.443 4.443 4.154 0.289 17741 1173 1 2 . 1 1 105 105 SER C C 435 173.630 173.630 174.558 -0.928 17741 1174 1 2 . 1 1 105 105 SER CA C 435 58.591 58.591 59.658 -1.067 17741 1175 1 2 . 1 1 105 105 SER CB C 435 64.066 64.066 63.045 1.020 17741 1176 1 2 . 1 1 105 105 SER H H 435 7.976 7.976 7.758 0.218 17741 1177 1 3 . 1 1 5 5 ARG N N 335 123.531 123.531 124.130 -0.599 17741 1178 1 3 . 1 1 5 5 ARG HA H 335 4.411 4.411 4.427 -0.016 17741 1179 1 3 . 1 1 5 5 ARG C C 335 176.473 176.473 176.901 -0.428 17741 1180 1 3 . 1 1 5 5 ARG CA C 335 56.571 56.571 55.865 0.706 17741 1181 1 3 . 1 1 5 5 ARG CB C 335 31.352 31.352 30.173 1.179 17741 1182 1 3 . 1 1 5 5 ARG H H 335 9.347 9.347 8.665 0.682 17741 1183 1 3 . 1 1 6 6 LEU N N 336 121.545 121.545 124.506 -2.961 17741 1184 1 3 . 1 1 6 6 LEU HA H 336 4.293 4.293 4.327 -0.034 17741 1185 1 3 . 1 1 6 6 LEU C C 336 178.837 178.837 177.649 1.188 17741 1186 1 3 . 1 1 6 6 LEU CA C 336 54.652 54.652 54.890 -0.238 17741 1187 1 3 . 1 1 6 6 LEU CB C 336 43.365 43.365 41.854 1.511 17741 1188 1 3 . 1 1 6 6 LEU H H 336 8.556 8.556 8.192 0.364 17741 1189 1 3 . 1 1 7 7 LEU HA H 337 3.441 3.441 2.815 0.626 17741 1190 1 3 . 1 1 7 7 LEU C C 337 177.908 177.908 178.419 -0.511 17741 1191 1 3 . 1 1 7 7 LEU CA C 337 58.771 58.771 58.608 0.164 17741 1192 1 3 . 1 1 7 7 LEU CB C 337 40.192 40.192 41.716 -1.524 17741 1193 1 3 . 1 1 8 8 TRP N N 338 114.624 114.624 116.823 -2.199 17741 1194 1 3 . 1 1 8 8 TRP HA H 338 3.785 3.785 4.271 -0.486 17741 1195 1 3 . 1 1 8 8 TRP C C 338 175.318 175.318 177.786 -2.468 17741 1196 1 3 . 1 1 8 8 TRP CA C 338 59.891 59.891 60.001 -0.110 17741 1197 1 3 . 1 1 8 8 TRP CB C 338 28.359 28.359 28.135 0.224 17741 1198 1 3 . 1 1 8 8 TRP H H 338 7.515 7.515 7.338 0.177 17741 1199 1 3 . 1 1 9 9 ASP HA H 339 3.813 3.813 4.139 -0.326 17741 1200 1 3 . 1 1 9 9 ASP C C 339 177.355 177.355 177.730 -0.375 17741 1201 1 3 . 1 1 9 9 ASP CA C 339 56.291 56.291 56.255 0.036 17741 1202 1 3 . 1 1 9 9 ASP CB C 339 41.591 41.591 39.730 1.861 17741 1203 1 3 . 1 1 10 10 TYR N N 340 120.906 120.906 121.094 -0.188 17741 1204 1 3 . 1 1 10 10 TYR HA H 340 3.897 3.897 4.124 -0.227 17741 1205 1 3 . 1 1 10 10 TYR C C 340 177.011 177.011 177.673 -0.662 17741 1206 1 3 . 1 1 10 10 TYR CA C 340 61.913 61.913 60.884 1.029 17741 1207 1 3 . 1 1 10 10 TYR CB C 340 39.482 39.482 38.645 0.837 17741 1208 1 3 . 1 1 10 10 TYR H H 340 8.005 8.005 8.011 -0.006 17741 1209 1 3 . 1 1 11 11 VAL N N 341 115.016 115.016 118.687 -3.671 17741 1210 1 3 . 1 1 11 11 VAL HA H 341 2.992 2.992 3.216 -0.224 17741 1211 1 3 . 1 1 11 11 VAL C C 341 176.751 176.751 177.193 -0.442 17741 1212 1 3 . 1 1 11 11 VAL CA C 341 66.910 66.910 65.898 1.012 17741 1213 1 3 . 1 1 11 11 VAL CB C 341 30.968 30.968 30.091 0.877 17741 1214 1 3 . 1 1 11 11 VAL H H 341 8.287 8.287 8.077 0.210 17741 1215 1 3 . 1 1 12 12 TYR N N 342 119.030 119.030 120.071 -1.041 17741 1216 1 3 . 1 1 12 12 TYR HA H 342 3.641 3.641 3.882 -0.241 17741 1217 1 3 . 1 1 12 12 TYR C C 342 178.659 178.659 177.948 0.711 17741 1218 1 3 . 1 1 12 12 TYR CA C 342 63.010 63.010 62.534 0.476 17741 1219 1 3 . 1 1 12 12 TYR CB C 342 38.212 38.212 37.334 0.878 17741 1220 1 3 . 1 1 12 12 TYR H H 342 7.673 7.673 8.002 -0.329 17741 1221 1 3 . 1 1 13 13 GLN N N 343 119.113 119.113 118.682 0.431 17741 1222 1 3 . 1 1 13 13 GLN HA H 343 3.828 3.828 4.110 -0.282 17741 1223 1 3 . 1 1 13 13 GLN C C 343 179.955 179.955 177.344 2.611 17741 1224 1 3 . 1 1 13 13 GLN CA C 343 58.871 58.871 58.186 0.685 17741 1225 1 3 . 1 1 13 13 GLN CB C 343 27.514 27.514 27.947 -0.433 17741 1226 1 3 . 1 1 13 13 GLN H H 343 8.161 8.161 7.581 0.580 17741 1227 1 3 . 1 1 14 14 LEU N N 344 121.401 121.401 118.295 3.106 17741 1228 1 3 . 1 1 14 14 LEU HA H 344 3.611 3.611 4.140 -0.529 17741 1229 1 3 . 1 1 14 14 LEU C C 344 179.789 179.789 179.304 0.485 17741 1230 1 3 . 1 1 14 14 LEU CA C 344 58.043 58.043 56.451 1.592 17741 1231 1 3 . 1 1 14 14 LEU CB C 344 41.598 41.598 41.507 0.091 17741 1232 1 3 . 1 1 14 14 LEU H H 344 7.825 7.825 7.381 0.444 17741 1233 1 3 . 1 1 15 15 LEU N N 345 116.853 116.853 119.727 -2.874 17741 1234 1 3 . 1 1 15 15 LEU HA H 345 3.504 3.504 3.833 -0.329 17741 1235 1 3 . 1 1 15 15 LEU C C 345 178.149 178.149 178.298 -0.149 17741 1236 1 3 . 1 1 15 15 LEU CA C 345 56.473 56.473 56.668 -0.195 17741 1237 1 3 . 1 1 15 15 LEU CB C 345 41.322 41.322 40.476 0.846 17741 1238 1 3 . 1 1 15 15 LEU H H 345 7.503 7.503 8.192 -0.689 17741 1239 1 3 . 1 1 16 16 SER N N 346 112.491 112.491 110.912 1.579 17741 1240 1 3 . 1 1 16 16 SER HA H 346 4.522 4.522 4.706 -0.184 17741 1241 1 3 . 1 1 16 16 SER C C 346 172.441 172.441 173.635 -1.194 17741 1242 1 3 . 1 1 16 16 SER CA C 346 58.859 58.859 57.878 0.981 17741 1243 1 3 . 1 1 16 16 SER CB C 346 63.987 63.987 63.697 0.290 17741 1244 1 3 . 1 1 16 16 SER H H 346 7.277 7.277 7.561 -0.284 17741 1245 1 3 . 1 1 17 17 ASP N N 347 122.161 122.161 121.267 0.894 17741 1246 1 3 . 1 1 17 17 ASP HA H 347 4.966 4.966 4.877 0.089 17741 1247 1 3 . 1 1 17 17 ASP C C 347 175.692 175.692 175.975 -0.283 17741 1248 1 3 . 1 1 17 17 ASP CA C 347 52.805 52.805 53.373 -0.568 17741 1249 1 3 . 1 1 17 17 ASP CB C 347 43.392 43.392 42.997 0.395 17741 1250 1 3 . 1 1 17 17 ASP H H 347 7.345 7.345 7.368 -0.023 17741 1251 1 3 . 1 1 18 18 SER N N 348 120.164 120.164 122.771 -2.607 17741 1252 1 3 . 1 1 18 18 SER HA H 348 4.356 4.356 4.339 0.017 17741 1253 1 3 . 1 1 18 18 SER C C 348 176.200 176.200 176.119 0.081 17741 1254 1 3 . 1 1 18 18 SER CA C 348 61.207 61.207 59.760 1.447 17741 1255 1 3 . 1 1 18 18 SER CB C 348 63.226 63.226 63.190 0.036 17741 1256 1 3 . 1 1 18 18 SER H H 348 8.686 8.686 8.983 -0.297 17741 1257 1 3 . 1 1 19 19 ARG N N 349 122.701 122.701 120.755 1.946 17741 1258 1 3 . 1 1 19 19 ARG HA H 349 4.105 4.105 3.973 0.132 17741 1259 1 3 . 1 1 19 19 ARG C C 349 178.120 178.120 177.008 1.112 17741 1260 1 3 . 1 1 19 19 ARG CA C 349 58.604 58.604 58.160 0.444 17741 1261 1 3 . 1 1 19 19 ARG CB C 349 29.854 29.854 29.395 0.459 17741 1262 1 3 . 1 1 19 19 ARG H H 349 8.597 8.597 7.675 0.922 17741 1263 1 3 . 1 1 20 20 TYR N N 350 116.257 116.257 116.371 -0.114 17741 1264 1 3 . 1 1 20 20 TYR HA H 350 4.884 4.884 4.700 0.184 17741 1265 1 3 . 1 1 20 20 TYR C C 350 176.977 176.977 175.653 1.324 17741 1266 1 3 . 1 1 20 20 TYR CA C 350 58.758 58.758 56.509 2.249 17741 1267 1 3 . 1 1 20 20 TYR CB C 350 37.602 37.602 37.983 -0.381 17741 1268 1 3 . 1 1 20 20 TYR H H 350 8.285 8.285 7.759 0.526 17741 1269 1 3 . 1 1 21 21 GLU N N 351 120.807 120.807 121.699 -0.892 17741 1270 1 3 . 1 1 21 21 GLU HA H 351 4.454 4.454 4.426 0.028 17741 1271 1 3 . 1 1 21 21 GLU C C 351 176.277 176.277 177.429 -1.152 17741 1272 1 3 . 1 1 21 21 GLU CA C 351 59.135 59.135 58.516 0.619 17741 1273 1 3 . 1 1 21 21 GLU CB C 351 29.674 29.674 28.989 0.685 17741 1274 1 3 . 1 1 21 21 GLU H H 351 7.527 7.527 7.630 -0.103 17741 1275 1 3 . 1 1 22 22 ASN N N 352 114.501 114.501 116.685 -2.184 17741 1276 1 3 . 1 1 22 22 ASN HA H 352 4.471 4.471 4.537 -0.066 17741 1277 1 3 . 1 1 22 22 ASN C C 352 174.426 174.426 175.906 -1.480 17741 1278 1 3 . 1 1 22 22 ASN CA C 352 54.002 54.002 54.480 -0.478 17741 1279 1 3 . 1 1 22 22 ASN CB C 352 36.943 36.943 38.279 -1.336 17741 1280 1 3 . 1 1 22 22 ASN H H 352 8.647 8.647 8.186 0.461 17741 1281 1 3 . 1 1 23 23 PHE N N 353 115.528 115.528 116.045 -0.517 17741 1282 1 3 . 1 1 23 23 PHE HA H 353 4.751 4.751 4.754 -0.003 17741 1283 1 3 . 1 1 23 23 PHE C C 353 176.374 176.374 176.065 0.309 17741 1284 1 3 . 1 1 23 23 PHE CA C 353 59.617 59.617 58.028 1.589 17741 1285 1 3 . 1 1 23 23 PHE CB C 353 41.431 41.431 40.752 0.679 17741 1286 1 3 . 1 1 23 23 PHE H H 353 8.578 8.578 7.766 0.812 17741 1287 1 3 . 1 1 24 24 ILE N N 354 120.520 120.520 118.171 2.349 17741 1288 1 3 . 1 1 24 24 ILE HA H 354 5.063 5.063 4.997 0.066 17741 1289 1 3 . 1 1 24 24 ILE C C 354 170.331 170.331 172.932 -2.601 17741 1290 1 3 . 1 1 24 24 ILE CA C 354 59.835 59.835 60.691 -0.856 17741 1291 1 3 . 1 1 24 24 ILE CB C 354 40.605 40.605 41.920 -1.315 17741 1292 1 3 . 1 1 24 24 ILE H H 354 8.436 8.436 8.339 0.097 17741 1293 1 3 . 1 1 25 25 ARG N N 355 121.401 121.401 120.614 0.787 17741 1294 1 3 . 1 1 25 25 ARG HA H 355 4.916 4.916 4.812 0.104 17741 1295 1 3 . 1 1 25 25 ARG C C 355 175.099 175.099 174.033 1.066 17741 1296 1 3 . 1 1 25 25 ARG CA C 355 54.461 54.461 55.004 -0.543 17741 1297 1 3 . 1 1 25 25 ARG CB C 355 33.662 33.662 33.572 0.090 17741 1298 1 3 . 1 1 25 25 ARG H H 355 8.668 8.668 8.986 -0.318 17741 1299 1 3 . 1 1 26 26 TRP N N 356 122.022 122.022 123.753 -1.731 17741 1300 1 3 . 1 1 26 26 TRP HA H 356 4.894 4.894 4.859 0.035 17741 1301 1 3 . 1 1 26 26 TRP C C 356 176.606 176.606 176.928 -0.322 17741 1302 1 3 . 1 1 26 26 TRP CA C 356 57.835 57.835 57.757 0.078 17741 1303 1 3 . 1 1 26 26 TRP CB C 356 30.564 30.564 29.705 0.859 17741 1304 1 3 . 1 1 26 26 TRP H H 356 9.149 9.149 8.892 0.257 17741 1305 1 3 . 1 1 27 27 GLU N N 357 125.415 125.415 124.044 1.371 17741 1306 1 3 . 1 1 27 27 GLU HA H 357 4.686 4.686 4.503 0.183 17741 1307 1 3 . 1 1 27 27 GLU C C 357 176.709 176.709 176.741 -0.032 17741 1308 1 3 . 1 1 27 27 GLU CA C 357 56.939 56.939 57.952 -1.013 17741 1309 1 3 . 1 1 27 27 GLU CB C 357 31.545 31.545 30.961 0.584 17741 1310 1 3 . 1 1 27 27 GLU H H 357 9.524 9.524 9.028 0.496 17741 1311 1 3 . 1 1 28 28 ASP N N 358 116.214 116.214 121.566 -5.352 17741 1312 1 3 . 1 1 28 28 ASP HA H 358 4.759 4.759 4.993 -0.234 17741 1313 1 3 . 1 1 28 28 ASP C C 358 176.124 176.124 175.648 0.476 17741 1314 1 3 . 1 1 28 28 ASP CA C 358 53.481 53.481 53.731 -0.250 17741 1315 1 3 . 1 1 28 28 ASP CB C 358 41.921 41.921 41.800 0.121 17741 1316 1 3 . 1 1 28 28 ASP H H 358 7.828 7.828 8.399 -0.571 17741 1317 1 3 . 1 1 29 29 LYS N N 359 127.750 127.750 124.749 3.001 17741 1318 1 3 . 1 1 29 29 LYS HA H 359 3.162 3.162 2.863 0.299 17741 1319 1 3 . 1 1 29 29 LYS C C 359 178.683 178.683 177.214 1.469 17741 1320 1 3 . 1 1 29 29 LYS CA C 359 60.173 60.173 59.828 0.346 17741 1321 1 3 . 1 1 29 29 LYS CB C 359 32.728 32.728 31.966 0.762 17741 1322 1 3 . 1 1 29 29 LYS H H 359 9.221 9.221 8.725 0.496 17741 1323 1 3 . 1 1 30 30 GLU N N 360 119.608 119.608 117.292 2.316 17741 1324 1 3 . 1 1 30 30 GLU HA H 360 3.923 3.923 4.055 -0.132 17741 1325 1 3 . 1 1 30 30 GLU C C 360 178.598 178.598 177.684 0.914 17741 1326 1 3 . 1 1 30 30 GLU CA C 360 59.512 59.512 58.520 0.992 17741 1327 1 3 . 1 1 30 30 GLU CB C 360 29.188 29.188 29.144 0.044 17741 1328 1 3 . 1 1 30 30 GLU H H 360 8.343 8.343 8.697 -0.354 17741 1329 1 3 . 1 1 31 31 SER N N 361 113.313 113.313 113.552 -0.239 17741 1330 1 3 . 1 1 31 31 SER HA H 361 4.485 4.485 4.563 -0.078 17741 1331 1 3 . 1 1 31 31 SER C C 361 172.284 172.284 173.443 -1.159 17741 1332 1 3 . 1 1 31 31 SER CA C 361 58.745 58.745 58.086 0.659 17741 1333 1 3 . 1 1 31 31 SER CB C 361 63.728 63.728 63.788 -0.060 17741 1334 1 3 . 1 1 31 31 SER H H 361 7.466 7.466 7.426 0.040 17741 1335 1 3 . 1 1 32 32 LYS N N 362 115.197 115.197 117.287 -2.090 17741 1336 1 3 . 1 1 32 32 LYS HA H 362 3.894 3.894 3.938 -0.044 17741 1337 1 3 . 1 1 32 32 LYS C C 362 175.489 175.489 175.225 0.264 17741 1338 1 3 . 1 1 32 32 LYS CA C 362 57.641 57.641 57.246 0.395 17741 1339 1 3 . 1 1 32 32 LYS CB C 362 29.811 29.811 30.059 -0.248 17741 1340 1 3 . 1 1 32 32 LYS H H 362 7.741 7.741 7.590 0.151 17741 1341 1 3 . 1 1 33 33 ILE N N 363 118.359 118.359 119.386 -1.027 17741 1342 1 3 . 1 1 33 33 ILE HA H 363 5.356 5.356 5.120 0.236 17741 1343 1 3 . 1 1 33 33 ILE C C 363 177.019 177.019 175.723 1.296 17741 1344 1 3 . 1 1 33 33 ILE CA C 363 60.455 60.455 61.038 -0.583 17741 1345 1 3 . 1 1 33 33 ILE CB C 363 40.081 40.081 39.670 0.411 17741 1346 1 3 . 1 1 33 33 ILE H H 363 8.268 8.268 8.255 0.013 17741 1347 1 3 . 1 1 34 34 PHE N N 364 128.287 128.287 125.555 2.732 17741 1348 1 3 . 1 1 34 34 PHE HA H 364 5.576 5.576 5.676 -0.100 17741 1349 1 3 . 1 1 34 34 PHE C C 364 170.447 170.447 172.892 -2.445 17741 1350 1 3 . 1 1 34 34 PHE CA C 364 55.128 55.128 55.489 -0.360 17741 1351 1 3 . 1 1 34 34 PHE CB C 364 44.010 44.010 42.980 1.030 17741 1352 1 3 . 1 1 34 34 PHE H H 364 9.962 9.962 9.402 0.560 17741 1353 1 3 . 1 1 35 35 ARG N N 365 120.900 120.900 121.330 -0.430 17741 1354 1 3 . 1 1 35 35 ARG HA H 365 5.486 5.486 5.215 0.271 17741 1355 1 3 . 1 1 35 35 ARG C C 365 176.462 176.462 175.218 1.244 17741 1356 1 3 . 1 1 35 35 ARG CA C 365 53.609 53.609 53.823 -0.214 17741 1357 1 3 . 1 1 35 35 ARG CB C 365 36.518 36.518 33.806 2.712 17741 1358 1 3 . 1 1 35 35 ARG H H 365 9.427 9.427 9.337 0.090 17741 1359 1 3 . 1 1 36 36 ILE N N 366 125.534 125.534 127.331 -1.797 17741 1360 1 3 . 1 1 36 36 ILE HA H 366 4.209 4.209 4.230 -0.021 17741 1361 1 3 . 1 1 36 36 ILE C C 366 173.899 173.899 175.571 -1.672 17741 1362 1 3 . 1 1 36 36 ILE CA C 366 63.033 63.033 62.307 0.726 17741 1363 1 3 . 1 1 36 36 ILE CB C 366 37.889 37.889 37.849 0.040 17741 1364 1 3 . 1 1 36 36 ILE H H 366 8.643 8.643 9.038 -0.395 17741 1365 1 3 . 1 1 37 37 VAL N N 367 129.194 129.194 127.711 1.483 17741 1366 1 3 . 1 1 37 37 VAL HA H 367 3.679 3.679 3.944 -0.265 17741 1367 1 3 . 1 1 37 37 VAL C C 367 175.919 175.919 176.295 -0.376 17741 1368 1 3 . 1 1 37 37 VAL CA C 367 64.068 64.068 64.232 -0.164 17741 1369 1 3 . 1 1 37 37 VAL CB C 367 32.884 32.884 32.413 0.470 17741 1370 1 3 . 1 1 37 37 VAL H H 367 7.841 7.841 8.445 -0.604 17741 1371 1 3 . 1 1 38 38 ASP N N 368 114.969 114.969 117.568 -2.599 17741 1372 1 3 . 1 1 38 38 ASP HA H 368 5.222 5.222 5.078 0.144 17741 1373 1 3 . 1 1 38 38 ASP C C 368 173.227 173.227 174.575 -1.348 17741 1374 1 3 . 1 1 38 38 ASP CA C 368 50.238 50.238 51.172 -0.934 17741 1375 1 3 . 1 1 38 38 ASP CB C 368 42.181 42.181 42.846 -0.665 17741 1376 1 3 . 1 1 38 38 ASP H H 368 7.316 7.316 8.074 -0.758 17741 1377 1 3 . 1 1 39 39 PRO HA H 369 3.809 3.809 4.139 -0.330 17741 1378 1 3 . 1 1 39 39 PRO C C 369 177.958 177.958 178.465 -0.507 17741 1379 1 3 . 1 1 39 39 PRO CA C 369 65.612 65.612 65.072 0.540 17741 1380 1 3 . 1 1 39 39 PRO CB C 369 31.068 31.068 31.781 -0.713 17741 1381 1 3 . 1 1 40 40 ASN N N 370 115.480 115.480 117.712 -2.232 17741 1382 1 3 . 1 1 40 40 ASN HA H 370 4.604 4.604 4.509 0.095 17741 1383 1 3 . 1 1 40 40 ASN C C 370 178.566 178.566 177.732 0.834 17741 1384 1 3 . 1 1 40 40 ASN CA C 370 56.471 56.471 56.425 0.046 17741 1385 1 3 . 1 1 40 40 ASN CB C 370 38.068 38.068 38.170 -0.102 17741 1386 1 3 . 1 1 40 40 ASN H H 370 8.094 8.094 8.052 0.042 17741 1387 1 3 . 1 1 41 41 GLY N N 371 111.371 111.371 107.738 3.633 17741 1388 1 3 . 1 1 41 41 GLY C C 371 176.018 176.018 175.702 0.316 17741 1389 1 3 . 1 1 41 41 GLY CA C 371 47.862 47.862 46.253 1.609 17741 1390 1 3 . 1 1 41 41 GLY H H 371 8.632 8.632 9.185 -0.553 17741 1391 1 3 . 1 1 42 42 LEU N N 372 122.901 122.901 122.426 0.475 17741 1392 1 3 . 1 1 42 42 LEU HA H 372 4.035 4.035 4.207 -0.172 17741 1393 1 3 . 1 1 42 42 LEU C C 372 177.704 177.704 178.505 -0.801 17741 1394 1 3 . 1 1 42 42 LEU CA C 372 57.913 57.913 57.001 0.912 17741 1395 1 3 . 1 1 42 42 LEU CB C 372 42.136 42.136 41.291 0.845 17741 1396 1 3 . 1 1 42 42 LEU H H 372 8.876 8.876 7.949 0.927 17741 1397 1 3 . 1 1 43 43 ALA N N 373 120.103 120.103 122.067 -1.964 17741 1398 1 3 . 1 1 43 43 ALA HA H 373 4.462 4.462 4.219 0.243 17741 1399 1 3 . 1 1 43 43 ALA C C 373 179.091 179.091 179.036 0.055 17741 1400 1 3 . 1 1 43 43 ALA CA C 373 55.441 55.441 55.480 -0.039 17741 1401 1 3 . 1 1 43 43 ALA CB C 373 18.098 18.098 18.640 -0.542 17741 1402 1 3 . 1 1 43 43 ALA H H 373 8.062 8.062 8.677 -0.615 17741 1403 1 3 . 1 1 44 44 ARG N N 374 118.071 118.071 118.750 -0.679 17741 1404 1 3 . 1 1 44 44 ARG HA H 374 4.117 4.117 4.104 0.013 17741 1405 1 3 . 1 1 44 44 ARG C C 374 179.414 179.414 178.355 1.059 17741 1406 1 3 . 1 1 44 44 ARG CA C 374 59.297 59.297 58.848 0.449 17741 1407 1 3 . 1 1 44 44 ARG CB C 374 30.069 30.069 29.654 0.415 17741 1408 1 3 . 1 1 44 44 ARG H H 374 7.725 7.725 7.808 -0.083 17741 1409 1 3 . 1 1 45 45 LEU N N 375 121.601 121.601 122.410 -0.809 17741 1410 1 3 . 1 1 45 45 LEU HA H 375 4.015 4.015 4.142 -0.127 17741 1411 1 3 . 1 1 45 45 LEU C C 375 180.087 180.087 178.593 1.494 17741 1412 1 3 . 1 1 45 45 LEU CA C 375 58.553 58.553 58.365 0.188 17741 1413 1 3 . 1 1 45 45 LEU CB C 375 41.495 41.495 41.527 -0.032 17741 1414 1 3 . 1 1 45 45 LEU H H 375 7.877 7.877 7.663 0.214 17741 1415 1 3 . 1 1 46 46 TRP N N 376 121.543 121.543 120.845 0.698 17741 1416 1 3 . 1 1 46 46 TRP HA H 376 4.333 4.333 3.855 0.478 17741 1417 1 3 . 1 1 46 46 TRP C C 376 177.572 177.572 178.206 -0.634 17741 1418 1 3 . 1 1 46 46 TRP CA C 376 59.091 59.091 59.413 -0.322 17741 1419 1 3 . 1 1 46 46 TRP CB C 376 30.305 30.305 29.601 0.704 17741 1420 1 3 . 1 1 46 46 TRP H H 376 8.615 8.615 8.688 -0.073 17741 1421 1 3 . 1 1 47 47 GLY N N 377 105.532 105.532 105.651 -0.119 17741 1422 1 3 . 1 1 47 47 GLY C C 377 176.057 176.057 176.096 -0.039 17741 1423 1 3 . 1 1 47 47 GLY CA C 377 48.035 48.035 46.906 1.129 17741 1424 1 3 . 1 1 47 47 GLY H H 377 8.877 8.877 8.846 0.031 17741 1425 1 3 . 1 1 48 48 ASN N N 378 119.996 119.996 120.869 -0.873 17741 1426 1 3 . 1 1 48 48 ASN HA H 378 4.403 4.403 4.378 0.025 17741 1427 1 3 . 1 1 48 48 ASN C C 378 178.112 178.112 177.555 0.557 17741 1428 1 3 . 1 1 48 48 ASN CA C 378 56.229 56.229 55.935 0.294 17741 1429 1 3 . 1 1 48 48 ASN CB C 378 38.272 38.272 38.262 0.010 17741 1430 1 3 . 1 1 48 48 ASN H H 378 8.176 8.176 8.188 -0.012 17741 1431 1 3 . 1 1 49 49 HIS N N 379 121.459 121.459 118.769 2.690 17741 1432 1 3 . 1 1 49 49 HIS HA H 379 4.129 4.129 4.240 -0.111 17741 1433 1 3 . 1 1 49 49 HIS C C 379 175.858 175.858 176.035 -0.177 17741 1434 1 3 . 1 1 49 49 HIS CA C 379 59.234 59.234 58.523 0.711 17741 1435 1 3 . 1 1 49 49 HIS CB C 379 29.473 29.473 29.654 -0.181 17741 1436 1 3 . 1 1 49 49 HIS H H 379 8.138 8.138 8.087 0.051 17741 1437 1 3 . 1 1 50 50 LYS N N 380 115.130 115.130 115.702 -0.572 17741 1438 1 3 . 1 1 50 50 LYS HA H 380 3.797 3.797 3.999 -0.202 17741 1439 1 3 . 1 1 50 50 LYS C C 380 175.468 175.468 175.204 0.264 17741 1440 1 3 . 1 1 50 50 LYS CA C 380 54.085 54.085 55.664 -1.579 17741 1441 1 3 . 1 1 50 50 LYS CB C 380 30.887 30.887 32.737 -1.851 17741 1442 1 3 . 1 1 50 50 LYS H H 380 7.552 7.552 7.288 0.264 17741 1443 1 3 . 1 1 51 51 ASN N N 381 116.632 116.632 113.578 3.054 17741 1444 1 3 . 1 1 51 51 ASN HA H 381 4.264 4.264 4.269 -0.005 17741 1445 1 3 . 1 1 51 51 ASN C C 381 174.332 174.332 173.852 0.480 17741 1446 1 3 . 1 1 51 51 ASN CA C 381 54.189 54.189 53.948 0.241 17741 1447 1 3 . 1 1 51 51 ASN CB C 381 37.343 37.343 37.317 0.026 17741 1448 1 3 . 1 1 51 51 ASN H H 381 7.715 7.715 7.724 -0.009 17741 1449 1 3 . 1 1 52 52 ARG N N 382 117.701 117.701 117.912 -0.211 17741 1450 1 3 . 1 1 52 52 ARG HA H 382 4.583 4.583 4.697 -0.114 17741 1451 1 3 . 1 1 52 52 ARG C C 382 176.172 176.172 175.741 0.431 17741 1452 1 3 . 1 1 52 52 ARG CA C 382 54.167 54.167 53.841 0.326 17741 1453 1 3 . 1 1 52 52 ARG CB C 382 31.882 31.882 31.880 0.002 17741 1454 1 3 . 1 1 52 52 ARG H H 382 8.465 8.465 8.151 0.314 17741 1455 1 3 . 1 1 53 53 THR N N 383 114.338 114.338 118.658 -4.320 17741 1456 1 3 . 1 1 53 53 THR HA H 383 4.208 4.208 4.163 0.045 17741 1457 1 3 . 1 1 53 53 THR C C 383 174.496 174.496 175.024 -0.528 17741 1458 1 3 . 1 1 53 53 THR CA C 383 62.345 62.345 64.767 -2.422 17741 1459 1 3 . 1 1 53 53 THR CB C 383 69.699 69.699 69.073 0.626 17741 1460 1 3 . 1 1 53 53 THR H H 383 8.274 8.274 8.534 -0.260 17741 1461 1 3 . 1 1 54 54 ASN N N 384 119.031 119.031 118.867 0.164 17741 1462 1 3 . 1 1 54 54 ASN HA H 384 4.607 4.607 4.746 -0.139 17741 1463 1 3 . 1 1 54 54 ASN C C 384 174.829 174.829 174.329 0.500 17741 1464 1 3 . 1 1 54 54 ASN CA C 384 53.155 53.155 52.977 0.178 17741 1465 1 3 . 1 1 54 54 ASN CB C 384 37.871 37.871 38.518 -0.647 17741 1466 1 3 . 1 1 54 54 ASN H H 384 8.457 8.457 8.196 0.261 17741 1467 1 3 . 1 1 55 55 MET N N 385 119.922 119.922 121.471 -1.549 17741 1468 1 3 . 1 1 55 55 MET HA H 385 4.558 4.558 4.537 0.021 17741 1469 1 3 . 1 1 55 55 MET C C 385 174.921 174.921 174.729 0.192 17741 1470 1 3 . 1 1 55 55 MET CA C 385 55.271 55.271 53.870 1.401 17741 1471 1 3 . 1 1 55 55 MET CB C 385 30.991 30.991 32.606 -1.615 17741 1472 1 3 . 1 1 55 55 MET H H 385 8.073 8.073 7.512 0.561 17741 1473 1 3 . 1 1 56 56 THR N N 386 113.771 113.771 118.157 -4.386 17741 1474 1 3 . 1 1 56 56 THR HA H 386 4.693 4.693 4.600 0.093 17741 1475 1 3 . 1 1 56 56 THR C C 386 175.459 175.459 174.974 0.485 17741 1476 1 3 . 1 1 56 56 THR CA C 386 59.043 59.043 59.348 -0.305 17741 1477 1 3 . 1 1 56 56 THR CB C 386 72.393 72.393 72.098 0.295 17741 1478 1 3 . 1 1 56 56 THR H H 386 7.076 7.076 7.725 -0.649 17741 1479 1 3 . 1 1 57 57 TYR N N 387 123.521 123.521 122.344 1.177 17741 1480 1 3 . 1 1 57 57 TYR HA H 387 4.127 4.127 4.174 -0.047 17741 1481 1 3 . 1 1 57 57 TYR C C 387 177.432 177.432 177.186 0.246 17741 1482 1 3 . 1 1 57 57 TYR CA C 387 62.527 62.527 61.896 0.631 17741 1483 1 3 . 1 1 57 57 TYR CB C 387 37.289 37.289 38.811 -1.522 17741 1484 1 3 . 1 1 57 57 TYR H H 387 9.726 9.726 8.966 0.760 17741 1485 1 3 . 1 1 58 58 GLU N N 388 121.083 121.083 119.932 1.151 17741 1486 1 3 . 1 1 58 58 GLU HA H 388 3.825 3.825 3.779 0.046 17741 1487 1 3 . 1 1 58 58 GLU C C 388 179.225 179.225 178.917 0.308 17741 1488 1 3 . 1 1 58 58 GLU CA C 388 60.476 60.476 59.703 0.773 17741 1489 1 3 . 1 1 58 58 GLU CB C 388 29.087 29.087 29.236 -0.149 17741 1490 1 3 . 1 1 58 58 GLU H H 388 8.843 8.843 8.303 0.540 17741 1491 1 3 . 1 1 59 59 LYS N N 389 119.209 119.209 118.989 0.220 17741 1492 1 3 . 1 1 59 59 LYS HA H 389 3.971 3.971 3.990 -0.019 17741 1493 1 3 . 1 1 59 59 LYS C C 389 179.944 179.944 178.886 1.058 17741 1494 1 3 . 1 1 59 59 LYS CA C 389 59.897 59.897 58.968 0.929 17741 1495 1 3 . 1 1 59 59 LYS CB C 389 33.359 33.359 32.051 1.308 17741 1496 1 3 . 1 1 59 59 LYS H H 389 7.605 7.605 7.403 0.202 17741 1497 1 3 . 1 1 60 60 MET N N 390 122.401 122.401 119.683 2.718 17741 1498 1 3 . 1 1 60 60 MET HA H 390 3.944 3.944 3.958 -0.014 17741 1499 1 3 . 1 1 60 60 MET C C 390 177.716 177.716 177.174 0.542 17741 1500 1 3 . 1 1 60 60 MET CA C 390 59.547 59.547 58.848 0.699 17741 1501 1 3 . 1 1 60 60 MET CB C 390 33.315 33.315 32.513 0.802 17741 1502 1 3 . 1 1 60 60 MET H H 390 8.229 8.229 7.872 0.357 17741 1503 1 3 . 1 1 61 61 SER N N 391 114.652 114.652 114.729 -0.077 17741 1504 1 3 . 1 1 61 61 SER HA H 391 3.771 3.771 3.809 -0.038 17741 1505 1 3 . 1 1 61 61 SER C C 391 176.449 176.449 176.622 -0.173 17741 1506 1 3 . 1 1 61 61 SER CA C 391 61.554 61.554 61.506 0.048 17741 1507 1 3 . 1 1 61 61 SER CB C 391 62.278 62.278 62.032 0.245 17741 1508 1 3 . 1 1 61 61 SER H H 391 8.829 8.829 8.098 0.731 17741 1509 1 3 . 1 1 62 62 ARG N N 392 122.213 122.213 122.517 -0.304 17741 1510 1 3 . 1 1 62 62 ARG HA H 392 3.945 3.945 3.807 0.138 17741 1511 1 3 . 1 1 62 62 ARG C C 392 178.600 178.600 178.200 0.400 17741 1512 1 3 . 1 1 62 62 ARG CA C 392 59.571 59.571 59.152 0.419 17741 1513 1 3 . 1 1 62 62 ARG CB C 392 29.914 29.914 29.403 0.511 17741 1514 1 3 . 1 1 62 62 ARG H H 392 7.413 7.413 7.372 0.041 17741 1515 1 3 . 1 1 63 63 ALA N N 393 122.327 122.327 121.790 0.537 17741 1516 1 3 . 1 1 63 63 ALA HA H 393 4.157 4.157 3.709 0.448 17741 1517 1 3 . 1 1 63 63 ALA C C 393 180.147 180.147 179.082 1.065 17741 1518 1 3 . 1 1 63 63 ALA CA C 393 54.749 54.749 54.660 0.089 17741 1519 1 3 . 1 1 63 63 ALA CB C 393 18.529 18.529 17.879 0.650 17741 1520 1 3 . 1 1 63 63 ALA H H 393 7.256 7.256 7.260 -0.004 17741 1521 1 3 . 1 1 64 64 LEU N N 394 117.582 117.582 118.040 -0.458 17741 1522 1 3 . 1 1 64 64 LEU HA H 394 3.769 3.769 3.515 0.254 17741 1523 1 3 . 1 1 64 64 LEU C C 394 178.139 178.139 178.662 -0.523 17741 1524 1 3 . 1 1 64 64 LEU CA C 394 58.012 58.012 57.233 0.779 17741 1525 1 3 . 1 1 64 64 LEU CB C 394 41.396 41.396 41.225 0.171 17741 1526 1 3 . 1 1 64 64 LEU H H 394 7.768 7.768 7.298 0.470 17741 1527 1 3 . 1 1 65 65 ARG N N 395 116.204 116.204 117.194 -0.990 17741 1528 1 3 . 1 1 65 65 ARG HA H 395 3.445 3.445 3.119 0.326 17741 1529 1 3 . 1 1 65 65 ARG C C 395 179.423 179.423 179.457 -0.034 17741 1530 1 3 . 1 1 65 65 ARG CA C 395 58.829 58.829 58.479 0.350 17741 1531 1 3 . 1 1 65 65 ARG CB C 395 29.776 29.776 29.396 0.380 17741 1532 1 3 . 1 1 65 65 ARG H H 395 7.595 7.595 8.079 -0.484 17741 1533 1 3 . 1 1 66 66 HIS N N 396 118.573 118.573 120.958 -2.385 17741 1534 1 3 . 1 1 66 66 HIS HA H 396 4.401 4.401 4.362 0.039 17741 1535 1 3 . 1 1 66 66 HIS C C 396 177.218 177.218 177.383 -0.165 17741 1536 1 3 . 1 1 66 66 HIS CA C 396 58.821 58.821 58.885 -0.064 17741 1537 1 3 . 1 1 66 66 HIS CB C 396 29.753 29.753 29.591 0.162 17741 1538 1 3 . 1 1 66 66 HIS H H 396 7.362 7.362 8.071 -0.709 17741 1539 1 3 . 1 1 67 67 TYR N N 397 115.773 115.773 119.068 -3.295 17741 1540 1 3 . 1 1 67 67 TYR HA H 397 4.259 4.259 4.097 0.162 17741 1541 1 3 . 1 1 67 67 TYR C C 397 178.802 178.802 178.356 0.446 17741 1542 1 3 . 1 1 67 67 TYR CA C 397 60.329 60.329 59.741 0.588 17741 1543 1 3 . 1 1 67 67 TYR CB C 397 37.379 37.379 36.716 0.663 17741 1544 1 3 . 1 1 67 67 TYR H H 397 7.568 7.568 7.818 -0.250 17741 1545 1 3 . 1 1 68 68 TYR N N 398 121.825 121.825 118.093 3.732 17741 1546 1 3 . 1 1 68 68 TYR HA H 398 5.413 5.413 4.919 0.494 17741 1547 1 3 . 1 1 68 68 TYR C C 398 181.169 181.169 178.916 2.253 17741 1548 1 3 . 1 1 68 68 TYR CA C 398 57.775 57.775 58.897 -1.122 17741 1549 1 3 . 1 1 68 68 TYR CB C 398 36.972 36.972 37.184 -0.212 17741 1550 1 3 . 1 1 68 68 TYR H H 398 8.116 8.116 7.653 0.463 17741 1551 1 3 . 1 1 69 69 LYS N N 399 120.934 120.934 119.012 1.922 17741 1552 1 3 . 1 1 69 69 LYS HA H 399 4.127 4.127 4.177 -0.050 17741 1553 1 3 . 1 1 69 69 LYS C C 399 177.928 177.928 177.727 0.201 17741 1554 1 3 . 1 1 69 69 LYS CA C 399 58.912 58.912 58.941 -0.029 17741 1555 1 3 . 1 1 69 69 LYS CB C 399 32.188 32.188 32.188 0.000 17741 1556 1 3 . 1 1 69 69 LYS H H 399 7.771 7.771 7.777 -0.006 17741 1557 1 3 . 1 1 70 70 LEU N N 400 116.022 116.022 117.073 -1.051 17741 1558 1 3 . 1 1 70 70 LEU HA H 400 4.291 4.291 4.332 -0.041 17741 1559 1 3 . 1 1 70 70 LEU C C 400 175.827 175.827 176.049 -0.222 17741 1560 1 3 . 1 1 70 70 LEU CA C 400 54.675 54.675 54.395 0.280 17741 1561 1 3 . 1 1 70 70 LEU CB C 400 43.081 43.081 40.995 2.086 17741 1562 1 3 . 1 1 70 70 LEU H H 400 7.144 7.144 7.469 -0.325 17741 1563 1 3 . 1 1 71 71 ASN N N 401 115.201 115.201 114.493 0.708 17741 1564 1 3 . 1 1 71 71 ASN HA H 401 4.352 4.352 4.391 -0.039 17741 1565 1 3 . 1 1 71 71 ASN C C 401 173.517 173.517 174.409 -0.892 17741 1566 1 3 . 1 1 71 71 ASN CA C 401 54.602 54.602 55.000 -0.398 17741 1567 1 3 . 1 1 71 71 ASN CB C 401 37.381 37.381 36.859 0.522 17741 1568 1 3 . 1 1 71 71 ASN H H 401 8.047 8.047 7.705 0.342 17741 1569 1 3 . 1 1 72 72 ILE N N 402 113.907 113.907 115.604 -1.697 17741 1570 1 3 . 1 1 72 72 ILE HA H 402 4.059 4.059 4.103 -0.044 17741 1571 1 3 . 1 1 72 72 ILE C C 402 176.279 176.279 175.582 0.697 17741 1572 1 3 . 1 1 72 72 ILE CA C 402 63.797 63.797 62.384 1.413 17741 1573 1 3 . 1 1 72 72 ILE CB C 402 40.395 40.395 40.018 0.377 17741 1574 1 3 . 1 1 72 72 ILE H H 402 7.986 7.986 8.420 -0.434 17741 1575 1 3 . 1 1 73 73 ILE N N 403 116.766 116.766 115.968 0.798 17741 1576 1 3 . 1 1 73 73 ILE HA H 403 5.042 5.042 4.579 0.463 17741 1577 1 3 . 1 1 73 73 ILE C C 403 173.945 173.945 174.254 -0.309 17741 1578 1 3 . 1 1 73 73 ILE CA C 403 59.247 59.247 59.438 -0.191 17741 1579 1 3 . 1 1 73 73 ILE CB C 403 43.414 43.414 41.828 1.586 17741 1580 1 3 . 1 1 73 73 ILE H H 403 7.042 7.042 7.218 -0.176 17741 1581 1 3 . 1 1 74 74 ARG N N 404 123.256 123.256 120.589 2.667 17741 1582 1 3 . 1 1 74 74 ARG HA H 404 4.751 4.751 4.381 0.370 17741 1583 1 3 . 1 1 74 74 ARG C C 404 174.757 174.757 173.622 1.135 17741 1584 1 3 . 1 1 74 74 ARG CA C 404 54.274 54.274 54.597 -0.323 17741 1585 1 3 . 1 1 74 74 ARG CB C 404 34.492 34.492 33.517 0.975 17741 1586 1 3 . 1 1 74 74 ARG H H 404 8.931 8.931 9.110 -0.179 17741 1587 1 3 . 1 1 75 75 LYS N N 405 125.627 125.627 121.283 4.344 17741 1588 1 3 . 1 1 75 75 LYS HA H 405 4.076 4.076 4.414 -0.338 17741 1589 1 3 . 1 1 75 75 LYS C C 405 176.481 176.481 176.041 0.440 17741 1590 1 3 . 1 1 75 75 LYS CA C 405 56.446 56.446 53.953 2.493 17741 1591 1 3 . 1 1 75 75 LYS CB C 405 32.758 32.758 33.761 -1.003 17741 1592 1 3 . 1 1 75 75 LYS H H 405 8.294 8.294 8.090 0.204 17741 1593 1 3 . 1 1 76 76 GLU N N 406 128.187 128.187 125.605 2.582 17741 1594 1 3 . 1 1 76 76 GLU HA H 406 4.447 4.447 4.546 -0.099 17741 1595 1 3 . 1 1 76 76 GLU C C 406 174.401 174.401 174.968 -0.567 17741 1596 1 3 . 1 1 76 76 GLU CA C 406 53.751 53.751 53.234 0.517 17741 1597 1 3 . 1 1 76 76 GLU CB C 406 29.951 29.951 28.251 1.700 17741 1598 1 3 . 1 1 76 76 GLU H H 406 8.016 8.016 8.070 -0.054 17741 1599 1 3 . 1 1 77 77 PRO HA H 407 4.288 4.288 4.355 -0.067 17741 1600 1 3 . 1 1 77 77 PRO C C 407 177.654 177.654 176.843 0.811 17741 1601 1 3 . 1 1 77 77 PRO CA C 407 63.433 63.433 63.045 0.388 17741 1602 1 3 . 1 1 77 77 PRO CB C 407 32.152 32.152 31.105 1.046 17741 1603 1 3 . 1 1 78 78 GLY N N 408 109.679 109.679 113.514 -3.835 17741 1604 1 3 . 1 1 78 78 GLY C C 408 173.976 173.976 174.503 -0.527 17741 1605 1 3 . 1 1 78 78 GLY CA C 408 45.539 45.539 44.829 0.710 17741 1606 1 3 . 1 1 78 78 GLY H H 408 8.514 8.514 8.508 0.006 17741 1607 1 3 . 1 1 79 79 GLN N N 409 116.897 116.897 120.259 -3.362 17741 1608 1 3 . 1 1 79 79 GLN HA H 409 4.489 4.489 4.436 0.053 17741 1609 1 3 . 1 1 79 79 GLN C C 409 175.371 175.371 176.022 -0.651 17741 1610 1 3 . 1 1 79 79 GLN CA C 409 54.472 54.472 55.375 -0.903 17741 1611 1 3 . 1 1 79 79 GLN CB C 409 31.301 31.301 29.407 1.894 17741 1612 1 3 . 1 1 79 79 GLN H H 409 7.572 7.572 8.814 -1.242 17741 1613 1 3 . 1 1 80 80 ARG N N 410 120.458 120.458 119.152 1.306 17741 1614 1 3 . 1 1 80 80 ARG HA H 410 4.275 4.275 4.258 0.017 17741 1615 1 3 . 1 1 80 80 ARG C C 410 176.227 176.227 177.136 -0.909 17741 1616 1 3 . 1 1 80 80 ARG CA C 410 56.891 56.891 57.872 -0.981 17741 1617 1 3 . 1 1 80 80 ARG CB C 410 31.475 31.475 29.729 1.746 17741 1618 1 3 . 1 1 80 80 ARG H H 410 8.254 8.254 8.501 -0.247 17741 1619 1 3 . 1 1 81 81 LEU N N 411 119.424 119.424 121.690 -2.266 17741 1620 1 3 . 1 1 81 81 LEU HA H 411 4.048 4.048 4.628 -0.580 17741 1621 1 3 . 1 1 81 81 LEU C C 411 173.277 173.277 175.313 -2.036 17741 1622 1 3 . 1 1 81 81 LEU CA C 411 55.111 55.111 53.681 1.430 17741 1623 1 3 . 1 1 81 81 LEU CB C 411 40.298 40.298 41.276 -0.979 17741 1624 1 3 . 1 1 81 81 LEU H H 411 8.467 8.467 7.973 0.494 17741 1625 1 3 . 1 1 82 82 LEU N N 412 119.126 119.126 121.863 -2.737 17741 1626 1 3 . 1 1 82 82 LEU HA H 412 5.036 5.036 4.807 0.229 17741 1627 1 3 . 1 1 82 82 LEU C C 412 175.323 175.323 174.583 0.740 17741 1628 1 3 . 1 1 82 82 LEU CA C 412 53.175 53.175 53.436 -0.261 17741 1629 1 3 . 1 1 82 82 LEU CB C 412 45.482 45.482 43.278 2.204 17741 1630 1 3 . 1 1 82 82 LEU H H 412 6.769 6.769 7.149 -0.380 17741 1631 1 3 . 1 1 83 83 PHE N N 413 122.107 122.107 123.698 -1.591 17741 1632 1 3 . 1 1 83 83 PHE HA H 413 4.848 4.848 4.891 -0.043 17741 1633 1 3 . 1 1 83 83 PHE C C 413 172.764 172.764 173.546 -0.782 17741 1634 1 3 . 1 1 83 83 PHE CA C 413 55.848 55.848 56.217 -0.369 17741 1635 1 3 . 1 1 83 83 PHE CB C 413 44.675 44.675 43.044 1.631 17741 1636 1 3 . 1 1 83 83 PHE H H 413 8.648 8.648 9.004 -0.356 17741 1637 1 3 . 1 1 84 84 ARG N N 414 119.466 119.466 121.865 -2.399 17741 1638 1 3 . 1 1 84 84 ARG HA H 414 5.578 5.578 5.378 0.200 17741 1639 1 3 . 1 1 84 84 ARG C C 414 177.476 177.476 175.269 2.207 17741 1640 1 3 . 1 1 84 84 ARG CA C 414 54.198 54.198 54.243 -0.045 17741 1641 1 3 . 1 1 84 84 ARG CB C 414 36.128 36.128 33.810 2.318 17741 1642 1 3 . 1 1 84 84 ARG H H 414 9.117 9.117 8.811 0.306 17741 1643 1 3 . 1 1 85 85 PHE N N 415 124.357 124.357 127.286 -2.929 17741 1644 1 3 . 1 1 85 85 PHE HA H 415 5.037 5.037 4.722 0.315 17741 1645 1 3 . 1 1 85 85 PHE C C 415 176.084 176.084 176.125 -0.041 17741 1646 1 3 . 1 1 85 85 PHE CA C 415 59.719 59.719 60.559 -0.840 17741 1647 1 3 . 1 1 85 85 PHE CB C 415 40.812 40.812 39.254 1.558 17741 1648 1 3 . 1 1 85 85 PHE H H 415 8.984 8.984 9.557 -0.573 17741 1649 1 3 . 1 1 86 86 MET N N 416 121.301 121.301 122.956 -1.655 17741 1650 1 3 . 1 1 86 86 MET HA H 416 4.670 4.670 4.214 0.456 17741 1651 1 3 . 1 1 86 86 MET C C 416 176.543 176.543 176.626 -0.083 17741 1652 1 3 . 1 1 86 86 MET CA C 416 54.863 54.863 57.673 -2.811 17741 1653 1 3 . 1 1 86 86 MET CB C 416 31.711 31.711 32.531 -0.820 17741 1654 1 3 . 1 1 86 86 MET H H 416 8.671 8.671 8.659 0.012 17741 1655 1 3 . 1 1 87 87 LYS N N 417 117.759 117.759 116.262 1.497 17741 1656 1 3 . 1 1 87 87 LYS HA H 417 4.856 4.856 4.678 0.178 17741 1657 1 3 . 1 1 87 87 LYS C C 417 175.445 175.445 174.782 0.663 17741 1658 1 3 . 1 1 87 87 LYS CA C 417 54.550 54.550 54.824 -0.274 17741 1659 1 3 . 1 1 87 87 LYS CB C 417 37.828 37.828 36.192 1.636 17741 1660 1 3 . 1 1 87 87 LYS H H 417 7.656 7.656 7.731 -0.075 17741 1661 1 3 . 1 1 88 88 THR N N 418 112.506 112.506 110.972 1.534 17741 1662 1 3 . 1 1 88 88 THR HA H 418 4.372 4.372 4.952 -0.580 17741 1663 1 3 . 1 1 88 88 THR C C 418 173.594 173.594 173.534 0.060 17741 1664 1 3 . 1 1 88 88 THR CA C 418 59.640 59.640 58.569 1.071 17741 1665 1 3 . 1 1 88 88 THR CB C 418 68.065 68.065 69.201 -1.136 17741 1666 1 3 . 1 1 88 88 THR H H 418 8.685 8.685 7.997 0.688 17741 1667 1 3 . 1 1 89 89 PRO HA H 419 3.748 3.748 3.871 -0.123 17741 1668 1 3 . 1 1 89 89 PRO C C 419 177.219 177.219 178.631 -1.412 17741 1669 1 3 . 1 1 89 89 PRO CA C 419 65.592 65.592 66.028 -0.436 17741 1670 1 3 . 1 1 89 89 PRO CB C 419 31.739 31.739 31.790 -0.051 17741 1671 1 3 . 1 1 90 90 ASP N N 420 114.631 114.631 115.585 -0.954 17741 1672 1 3 . 1 1 90 90 ASP HA H 420 4.265 4.265 4.412 -0.147 17741 1673 1 3 . 1 1 90 90 ASP C C 420 177.962 177.962 177.936 0.026 17741 1674 1 3 . 1 1 90 90 ASP CA C 420 56.371 56.371 56.866 -0.495 17741 1675 1 3 . 1 1 90 90 ASP CB C 420 40.662 40.662 40.681 -0.019 17741 1676 1 3 . 1 1 90 90 ASP H H 420 7.962 7.962 8.416 -0.454 17741 1677 1 3 . 1 1 91 91 GLU N N 421 119.501 119.501 118.615 0.886 17741 1678 1 3 . 1 1 91 91 GLU HA H 421 4.043 4.043 4.167 -0.124 17741 1679 1 3 . 1 1 91 91 GLU C C 421 178.599 178.599 178.677 -0.078 17741 1680 1 3 . 1 1 91 91 GLU CA C 421 58.113 58.113 58.323 -0.210 17741 1681 1 3 . 1 1 91 91 GLU CB C 421 30.721 30.721 30.017 0.704 17741 1682 1 3 . 1 1 91 91 GLU H H 421 7.661 7.661 7.856 -0.195 17741 1683 1 3 . 1 1 92 92 ILE N N 422 120.594 120.594 120.530 0.064 17741 1684 1 3 . 1 1 92 92 ILE HA H 422 3.641 3.641 3.736 -0.095 17741 1685 1 3 . 1 1 92 92 ILE C C 422 177.752 177.752 177.890 -0.138 17741 1686 1 3 . 1 1 92 92 ILE CA C 422 62.931 62.931 64.824 -1.893 17741 1687 1 3 . 1 1 92 92 ILE CB C 422 38.185 38.185 38.038 0.147 17741 1688 1 3 . 1 1 92 92 ILE H H 422 7.861 7.861 7.768 0.093 17741 1689 1 3 . 1 1 93 93 MET N N 423 119.187 119.187 116.830 2.357 17741 1690 1 3 . 1 1 93 93 MET HA H 423 4.391 4.391 4.370 0.021 17741 1691 1 3 . 1 1 93 93 MET C C 423 176.982 176.982 177.073 -0.091 17741 1692 1 3 . 1 1 93 93 MET CA C 423 56.491 56.491 57.162 -0.671 17741 1693 1 3 . 1 1 93 93 MET CB C 423 32.584 32.584 32.099 0.485 17741 1694 1 3 . 1 1 93 93 MET H H 423 8.158 8.158 8.476 -0.318 17741 1695 1 3 . 1 1 94 94 SER N N 424 114.933 114.933 113.793 1.140 17741 1696 1 3 . 1 1 94 94 SER HA H 424 4.394 4.394 4.300 0.094 17741 1697 1 3 . 1 1 94 94 SER C C 424 175.238 175.238 175.564 -0.326 17741 1698 1 3 . 1 1 94 94 SER CA C 424 59.423 59.423 59.919 -0.496 17741 1699 1 3 . 1 1 94 94 SER CB C 424 63.695 63.695 63.753 -0.058 17741 1700 1 3 . 1 1 94 94 SER H H 424 7.854 7.854 7.719 0.135 17741 1701 1 3 . 1 1 95 95 GLY N N 425 110.045 110.045 108.521 1.524 17741 1702 1 3 . 1 1 95 95 GLY C C 425 174.194 174.194 175.318 -1.124 17741 1703 1 3 . 1 1 95 95 GLY CA C 425 45.432 45.432 45.866 -0.434 17741 1704 1 3 . 1 1 95 95 GLY H H 425 8.061 8.061 7.697 0.364 17741 1705 1 3 . 1 1 96 96 ARG N N 426 119.987 119.987 121.654 -1.667 17741 1706 1 3 . 1 1 96 96 ARG HA H 426 4.475 4.475 4.078 0.397 17741 1707 1 3 . 1 1 96 96 ARG C C 426 177.308 177.308 177.635 -0.327 17741 1708 1 3 . 1 1 96 96 ARG CA C 426 56.195 56.195 58.741 -2.546 17741 1709 1 3 . 1 1 96 96 ARG CB C 426 30.354 30.354 30.029 0.325 17741 1710 1 3 . 1 1 96 96 ARG H H 426 8.092 8.092 8.184 -0.092 17741 1711 1 3 . 1 1 97 97 THR N N 427 114.398 114.398 111.757 2.641 17741 1712 1 3 . 1 1 97 97 THR HA H 427 4.298 4.298 4.606 -0.308 17741 1713 1 3 . 1 1 97 97 THR C C 427 174.913 174.913 175.004 -0.091 17741 1714 1 3 . 1 1 97 97 THR CA C 427 62.673 62.673 62.179 0.493 17741 1715 1 3 . 1 1 97 97 THR CB C 427 69.473 69.473 68.952 0.521 17741 1716 1 3 . 1 1 97 97 THR H H 427 8.319 8.319 7.644 0.675 17741 1717 1 3 . 1 1 98 98 ASP N N 428 121.983 121.983 123.756 -1.773 17741 1718 1 3 . 1 1 98 98 ASP HA H 428 4.508 4.508 4.517 -0.009 17741 1719 1 3 . 1 1 98 98 ASP C C 428 176.956 176.956 177.387 -0.431 17741 1720 1 3 . 1 1 98 98 ASP CA C 428 55.433 55.433 56.591 -1.158 17741 1721 1 3 . 1 1 98 98 ASP CB C 428 40.746 40.746 40.953 -0.207 17741 1722 1 3 . 1 1 98 98 ASP H H 428 8.488 8.488 8.505 -0.017 17741 1723 1 3 . 1 1 99 99 ARG N N 429 119.821 119.821 118.398 1.423 17741 1724 1 3 . 1 1 99 99 ARG HA H 429 4.277 4.277 4.037 0.240 17741 1725 1 3 . 1 1 99 99 ARG C C 429 177.078 177.078 178.879 -1.801 17741 1726 1 3 . 1 1 99 99 ARG CA C 429 56.984 56.984 58.981 -1.997 17741 1727 1 3 . 1 1 99 99 ARG CB C 429 30.224 30.224 30.195 0.029 17741 1728 1 3 . 1 1 99 99 ARG H H 429 8.088 8.088 7.489 0.599 17741 1729 1 3 . 1 1 100 100 LEU N N 430 120.887 120.887 120.824 0.063 17741 1730 1 3 . 1 1 100 100 LEU HA H 430 4.176 4.176 4.252 -0.076 17741 1731 1 3 . 1 1 100 100 LEU C C 430 177.732 177.732 178.786 -1.054 17741 1732 1 3 . 1 1 100 100 LEU CA C 430 56.324 56.324 57.882 -1.558 17741 1733 1 3 . 1 1 100 100 LEU CB C 430 42.262 42.262 42.013 0.249 17741 1734 1 3 . 1 1 100 100 LEU H H 430 7.945 7.945 8.130 -0.185 17741 1735 1 3 . 1 1 101 101 GLU N N 431 119.799 119.799 117.001 2.798 17741 1736 1 3 . 1 1 101 101 GLU HA H 431 4.082 4.082 4.054 0.028 17741 1737 1 3 . 1 1 101 101 GLU C C 431 177.281 177.281 178.489 -1.208 17741 1738 1 3 . 1 1 101 101 GLU CA C 431 58.011 58.011 58.838 -0.827 17741 1739 1 3 . 1 1 101 101 GLU CB C 431 30.191 30.191 29.420 0.771 17741 1740 1 3 . 1 1 101 101 GLU H H 431 8.268 8.268 7.935 0.333 17741 1741 1 3 . 1 1 102 102 HIS N N 432 118.048 118.048 116.491 1.557 17741 1742 1 3 . 1 1 102 102 HIS HA H 432 4.584 4.584 4.388 0.196 17741 1743 1 3 . 1 1 102 102 HIS C C 432 175.678 175.678 176.838 -1.160 17741 1744 1 3 . 1 1 102 102 HIS CA C 432 56.571 56.571 58.567 -1.996 17741 1745 1 3 . 1 1 102 102 HIS CB C 432 29.352 29.352 30.101 -0.749 17741 1746 1 3 . 1 1 102 102 HIS H H 432 8.166 8.166 8.117 0.049 17741 1747 1 3 . 1 1 103 103 LEU N N 433 122.228 122.228 116.860 5.368 17741 1748 1 3 . 1 1 103 103 LEU HA H 433 4.176 4.176 4.222 -0.046 17741 1749 1 3 . 1 1 103 103 LEU C C 433 177.904 177.904 179.035 -1.131 17741 1750 1 3 . 1 1 103 103 LEU CA C 433 56.237 56.237 56.814 -0.577 17741 1751 1 3 . 1 1 103 103 LEU CB C 433 42.305 42.305 42.129 0.176 17741 1752 1 3 . 1 1 103 103 LEU H H 433 8.072 8.072 7.615 0.457 17741 1753 1 3 . 1 1 104 104 GLU N N 434 119.413 119.413 118.313 1.100 17741 1754 1 3 . 1 1 104 104 GLU HA H 434 4.309 4.309 4.246 0.063 17741 1755 1 3 . 1 1 104 104 GLU C C 434 176.560 176.560 178.361 -1.801 17741 1756 1 3 . 1 1 104 104 GLU CA C 434 57.098 57.098 56.750 0.348 17741 1757 1 3 . 1 1 104 104 GLU CB C 434 30.301 30.301 28.617 1.684 17741 1758 1 3 . 1 1 104 104 GLU H H 434 8.331 8.331 8.101 0.230 17741 1759 1 3 . 1 1 105 105 SER N N 435 115.859 115.859 115.423 0.436 17741 1760 1 3 . 1 1 105 105 SER HA H 435 4.443 4.443 4.172 0.271 17741 1761 1 3 . 1 1 105 105 SER C C 435 173.630 173.630 174.679 -1.049 17741 1762 1 3 . 1 1 105 105 SER CA C 435 58.591 58.591 60.241 -1.650 17741 1763 1 3 . 1 1 105 105 SER CB C 435 64.066 64.066 63.084 0.982 17741 1764 1 3 . 1 1 105 105 SER H H 435 7.976 7.976 7.972 0.004 17741 1765 1 4 . 1 1 5 5 ARG N N 335 123.531 123.531 123.523 0.008 17741 1766 1 4 . 1 1 5 5 ARG HA H 335 4.411 4.411 4.131 0.280 17741 1767 1 4 . 1 1 5 5 ARG C C 335 176.473 176.473 176.589 -0.116 17741 1768 1 4 . 1 1 5 5 ARG CA C 335 56.571 56.571 55.900 0.671 17741 1769 1 4 . 1 1 5 5 ARG CB C 335 31.352 31.352 30.219 1.133 17741 1770 1 4 . 1 1 5 5 ARG H H 335 9.347 9.347 8.725 0.622 17741 1771 1 4 . 1 1 6 6 LEU N N 336 121.545 121.545 122.985 -1.440 17741 1772 1 4 . 1 1 6 6 LEU HA H 336 4.293 4.293 4.184 0.109 17741 1773 1 4 . 1 1 6 6 LEU C C 336 178.837 178.837 178.017 0.820 17741 1774 1 4 . 1 1 6 6 LEU CA C 336 54.652 54.652 55.435 -0.784 17741 1775 1 4 . 1 1 6 6 LEU CB C 336 43.365 43.365 41.707 1.658 17741 1776 1 4 . 1 1 6 6 LEU H H 336 8.556 8.556 8.183 0.373 17741 1777 1 4 . 1 1 7 7 LEU HA H 337 3.441 3.441 2.814 0.627 17741 1778 1 4 . 1 1 7 7 LEU C C 337 177.908 177.908 178.290 -0.382 17741 1779 1 4 . 1 1 7 7 LEU CA C 337 58.771 58.771 58.474 0.297 17741 1780 1 4 . 1 1 7 7 LEU CB C 337 40.192 40.192 41.683 -1.491 17741 1781 1 4 . 1 1 8 8 TRP N N 338 114.624 114.624 116.891 -2.267 17741 1782 1 4 . 1 1 8 8 TRP HA H 338 3.785 3.785 4.322 -0.537 17741 1783 1 4 . 1 1 8 8 TRP C C 338 175.318 175.318 177.741 -2.423 17741 1784 1 4 . 1 1 8 8 TRP CA C 338 59.891 59.891 59.709 0.182 17741 1785 1 4 . 1 1 8 8 TRP CB C 338 28.359 28.359 28.172 0.187 17741 1786 1 4 . 1 1 8 8 TRP H H 338 7.515 7.515 7.248 0.267 17741 1787 1 4 . 1 1 9 9 ASP HA H 339 3.813 3.813 4.300 -0.487 17741 1788 1 4 . 1 1 9 9 ASP C C 339 177.355 177.355 177.780 -0.425 17741 1789 1 4 . 1 1 9 9 ASP CA C 339 56.291 56.291 57.044 -0.753 17741 1790 1 4 . 1 1 9 9 ASP CB C 339 41.591 41.591 40.171 1.420 17741 1791 1 4 . 1 1 10 10 TYR N N 340 120.906 120.906 120.575 0.331 17741 1792 1 4 . 1 1 10 10 TYR HA H 340 3.897 3.897 4.065 -0.168 17741 1793 1 4 . 1 1 10 10 TYR C C 340 177.011 177.011 177.497 -0.486 17741 1794 1 4 . 1 1 10 10 TYR CA C 340 61.913 61.913 61.021 0.892 17741 1795 1 4 . 1 1 10 10 TYR CB C 340 39.482 39.482 38.306 1.177 17741 1796 1 4 . 1 1 10 10 TYR H H 340 8.005 8.005 7.788 0.217 17741 1797 1 4 . 1 1 11 11 VAL N N 341 115.016 115.016 118.613 -3.597 17741 1798 1 4 . 1 1 11 11 VAL HA H 341 2.992 2.992 3.233 -0.241 17741 1799 1 4 . 1 1 11 11 VAL C C 341 176.751 176.751 177.062 -0.311 17741 1800 1 4 . 1 1 11 11 VAL CA C 341 66.910 66.910 65.369 1.541 17741 1801 1 4 . 1 1 11 11 VAL CB C 341 30.968 30.968 30.133 0.835 17741 1802 1 4 . 1 1 11 11 VAL H H 341 8.287 8.287 7.754 0.533 17741 1803 1 4 . 1 1 12 12 TYR N N 342 119.030 119.030 119.667 -0.637 17741 1804 1 4 . 1 1 12 12 TYR HA H 342 3.641 3.641 3.896 -0.255 17741 1805 1 4 . 1 1 12 12 TYR C C 342 178.659 178.659 177.733 0.926 17741 1806 1 4 . 1 1 12 12 TYR CA C 342 63.010 63.010 62.305 0.705 17741 1807 1 4 . 1 1 12 12 TYR CB C 342 38.212 38.212 37.537 0.675 17741 1808 1 4 . 1 1 12 12 TYR H H 342 7.673 7.673 7.834 -0.161 17741 1809 1 4 . 1 1 13 13 GLN N N 343 119.113 119.113 118.592 0.521 17741 1810 1 4 . 1 1 13 13 GLN HA H 343 3.828 3.828 4.159 -0.331 17741 1811 1 4 . 1 1 13 13 GLN C C 343 179.955 179.955 177.615 2.340 17741 1812 1 4 . 1 1 13 13 GLN CA C 343 58.871 58.871 58.153 0.718 17741 1813 1 4 . 1 1 13 13 GLN CB C 343 27.514 27.514 28.017 -0.503 17741 1814 1 4 . 1 1 13 13 GLN H H 343 8.161 8.161 7.525 0.636 17741 1815 1 4 . 1 1 14 14 LEU N N 344 121.401 121.401 119.436 1.965 17741 1816 1 4 . 1 1 14 14 LEU HA H 344 3.611 3.611 3.966 -0.355 17741 1817 1 4 . 1 1 14 14 LEU C C 344 179.789 179.789 179.058 0.731 17741 1818 1 4 . 1 1 14 14 LEU CA C 344 58.043 58.043 56.952 1.091 17741 1819 1 4 . 1 1 14 14 LEU CB C 344 41.598 41.598 41.505 0.093 17741 1820 1 4 . 1 1 14 14 LEU H H 344 7.825 7.825 7.548 0.277 17741 1821 1 4 . 1 1 15 15 LEU N N 345 116.853 116.853 118.336 -1.483 17741 1822 1 4 . 1 1 15 15 LEU HA H 345 3.504 3.504 3.850 -0.346 17741 1823 1 4 . 1 1 15 15 LEU C C 345 178.149 178.149 178.191 -0.042 17741 1824 1 4 . 1 1 15 15 LEU CA C 345 56.473 56.473 56.247 0.226 17741 1825 1 4 . 1 1 15 15 LEU CB C 345 41.322 41.322 40.570 0.752 17741 1826 1 4 . 1 1 15 15 LEU H H 345 7.503 7.503 8.230 -0.727 17741 1827 1 4 . 1 1 16 16 SER N N 346 112.491 112.491 109.947 2.544 17741 1828 1 4 . 1 1 16 16 SER HA H 346 4.522 4.522 4.632 -0.110 17741 1829 1 4 . 1 1 16 16 SER C C 346 172.441 172.441 173.894 -1.453 17741 1830 1 4 . 1 1 16 16 SER CA C 346 58.859 58.859 57.767 1.092 17741 1831 1 4 . 1 1 16 16 SER CB C 346 63.987 63.987 63.656 0.331 17741 1832 1 4 . 1 1 16 16 SER H H 346 7.277 7.277 7.264 0.013 17741 1833 1 4 . 1 1 17 17 ASP N N 347 122.161 122.161 120.884 1.277 17741 1834 1 4 . 1 1 17 17 ASP HA H 347 4.966 4.966 4.866 0.100 17741 1835 1 4 . 1 1 17 17 ASP C C 347 175.692 175.692 176.189 -0.497 17741 1836 1 4 . 1 1 17 17 ASP CA C 347 52.805 52.805 53.181 -0.376 17741 1837 1 4 . 1 1 17 17 ASP CB C 347 43.392 43.392 43.114 0.279 17741 1838 1 4 . 1 1 17 17 ASP H H 347 7.345 7.345 7.568 -0.223 17741 1839 1 4 . 1 1 18 18 SER N N 348 120.164 120.164 122.350 -2.186 17741 1840 1 4 . 1 1 18 18 SER HA H 348 4.356 4.356 4.315 0.041 17741 1841 1 4 . 1 1 18 18 SER C C 348 176.200 176.200 175.995 0.205 17741 1842 1 4 . 1 1 18 18 SER CA C 348 61.207 61.207 59.726 1.481 17741 1843 1 4 . 1 1 18 18 SER CB C 348 63.226 63.226 63.134 0.092 17741 1844 1 4 . 1 1 18 18 SER H H 348 8.686 8.686 8.929 -0.243 17741 1845 1 4 . 1 1 19 19 ARG N N 349 122.701 122.701 120.717 1.984 17741 1846 1 4 . 1 1 19 19 ARG HA H 349 4.105 4.105 3.995 0.110 17741 1847 1 4 . 1 1 19 19 ARG C C 349 178.120 178.120 176.933 1.187 17741 1848 1 4 . 1 1 19 19 ARG CA C 349 58.604 58.604 58.025 0.579 17741 1849 1 4 . 1 1 19 19 ARG CB C 349 29.854 29.854 29.259 0.595 17741 1850 1 4 . 1 1 19 19 ARG H H 349 8.597 8.597 7.711 0.886 17741 1851 1 4 . 1 1 20 20 TYR N N 350 116.257 116.257 115.603 0.654 17741 1852 1 4 . 1 1 20 20 TYR HA H 350 4.884 4.884 4.707 0.177 17741 1853 1 4 . 1 1 20 20 TYR C C 350 176.977 176.977 175.725 1.252 17741 1854 1 4 . 1 1 20 20 TYR CA C 350 58.758 58.758 56.648 2.110 17741 1855 1 4 . 1 1 20 20 TYR CB C 350 37.602 37.602 37.898 -0.296 17741 1856 1 4 . 1 1 20 20 TYR H H 350 8.285 8.285 7.637 0.648 17741 1857 1 4 . 1 1 21 21 GLU N N 351 120.807 120.807 120.941 -0.134 17741 1858 1 4 . 1 1 21 21 GLU HA H 351 4.454 4.454 4.205 0.249 17741 1859 1 4 . 1 1 21 21 GLU C C 351 176.277 176.277 177.709 -1.432 17741 1860 1 4 . 1 1 21 21 GLU CA C 351 59.135 59.135 59.632 -0.497 17741 1861 1 4 . 1 1 21 21 GLU CB C 351 29.674 29.674 28.829 0.845 17741 1862 1 4 . 1 1 21 21 GLU H H 351 7.527 7.527 7.514 0.013 17741 1863 1 4 . 1 1 22 22 ASN N N 352 114.501 114.501 115.093 -0.592 17741 1864 1 4 . 1 1 22 22 ASN HA H 352 4.471 4.471 4.504 -0.033 17741 1865 1 4 . 1 1 22 22 ASN C C 352 174.426 174.426 176.266 -1.840 17741 1866 1 4 . 1 1 22 22 ASN CA C 352 54.002 54.002 54.600 -0.598 17741 1867 1 4 . 1 1 22 22 ASN CB C 352 36.943 36.943 38.483 -1.540 17741 1868 1 4 . 1 1 22 22 ASN H H 352 8.647 8.647 8.104 0.543 17741 1869 1 4 . 1 1 23 23 PHE N N 353 115.528 115.528 115.808 -0.280 17741 1870 1 4 . 1 1 23 23 PHE HA H 353 4.751 4.751 4.777 -0.026 17741 1871 1 4 . 1 1 23 23 PHE C C 353 176.374 176.374 175.707 0.667 17741 1872 1 4 . 1 1 23 23 PHE CA C 353 59.617 59.617 57.887 1.730 17741 1873 1 4 . 1 1 23 23 PHE CB C 353 41.431 41.431 41.025 0.406 17741 1874 1 4 . 1 1 23 23 PHE H H 353 8.578 8.578 7.698 0.880 17741 1875 1 4 . 1 1 24 24 ILE N N 354 120.520 120.520 118.318 2.202 17741 1876 1 4 . 1 1 24 24 ILE HA H 354 5.063 5.063 4.964 0.099 17741 1877 1 4 . 1 1 24 24 ILE C C 354 170.331 170.331 172.938 -2.607 17741 1878 1 4 . 1 1 24 24 ILE CA C 354 59.835 59.835 60.564 -0.729 17741 1879 1 4 . 1 1 24 24 ILE CB C 354 40.605 40.605 41.991 -1.386 17741 1880 1 4 . 1 1 24 24 ILE H H 354 8.436 8.436 8.617 -0.181 17741 1881 1 4 . 1 1 25 25 ARG N N 355 121.401 121.401 121.366 0.035 17741 1882 1 4 . 1 1 25 25 ARG HA H 355 4.916 4.916 4.828 0.088 17741 1883 1 4 . 1 1 25 25 ARG C C 355 175.099 175.099 174.111 0.988 17741 1884 1 4 . 1 1 25 25 ARG CA C 355 54.461 54.461 54.779 -0.318 17741 1885 1 4 . 1 1 25 25 ARG CB C 355 33.662 33.662 33.576 0.086 17741 1886 1 4 . 1 1 25 25 ARG H H 355 8.668 8.668 8.723 -0.055 17741 1887 1 4 . 1 1 26 26 TRP N N 356 122.022 122.022 123.605 -1.583 17741 1888 1 4 . 1 1 26 26 TRP HA H 356 4.894 4.894 4.877 0.017 17741 1889 1 4 . 1 1 26 26 TRP C C 356 176.606 176.606 176.918 -0.312 17741 1890 1 4 . 1 1 26 26 TRP CA C 356 57.835 57.835 57.611 0.224 17741 1891 1 4 . 1 1 26 26 TRP CB C 356 30.564 30.564 29.733 0.831 17741 1892 1 4 . 1 1 26 26 TRP H H 356 9.149 9.149 8.987 0.162 17741 1893 1 4 . 1 1 27 27 GLU N N 357 125.415 125.415 124.719 0.696 17741 1894 1 4 . 1 1 27 27 GLU HA H 357 4.686 4.686 4.485 0.201 17741 1895 1 4 . 1 1 27 27 GLU C C 357 176.709 176.709 176.095 0.614 17741 1896 1 4 . 1 1 27 27 GLU CA C 357 56.939 56.939 57.858 -0.919 17741 1897 1 4 . 1 1 27 27 GLU CB C 357 31.545 31.545 31.197 0.348 17741 1898 1 4 . 1 1 27 27 GLU H H 357 9.524 9.524 8.855 0.669 17741 1899 1 4 . 1 1 28 28 ASP N N 358 116.214 116.214 119.518 -3.304 17741 1900 1 4 . 1 1 28 28 ASP HA H 358 4.759 4.759 4.845 -0.086 17741 1901 1 4 . 1 1 28 28 ASP C C 358 176.124 176.124 175.587 0.537 17741 1902 1 4 . 1 1 28 28 ASP CA C 358 53.481 53.481 53.851 -0.370 17741 1903 1 4 . 1 1 28 28 ASP CB C 358 41.921 41.921 42.276 -0.355 17741 1904 1 4 . 1 1 28 28 ASP H H 358 7.828 7.828 8.212 -0.384 17741 1905 1 4 . 1 1 29 29 LYS N N 359 127.750 127.750 124.583 3.167 17741 1906 1 4 . 1 1 29 29 LYS HA H 359 3.162 3.162 2.811 0.351 17741 1907 1 4 . 1 1 29 29 LYS C C 359 178.683 178.683 177.895 0.788 17741 1908 1 4 . 1 1 29 29 LYS CA C 359 60.173 60.173 58.995 1.178 17741 1909 1 4 . 1 1 29 29 LYS CB C 359 32.728 32.728 32.070 0.658 17741 1910 1 4 . 1 1 29 29 LYS H H 359 9.221 9.221 8.554 0.667 17741 1911 1 4 . 1 1 30 30 GLU N N 360 119.608 119.608 116.893 2.715 17741 1912 1 4 . 1 1 30 30 GLU HA H 360 3.923 3.923 4.052 -0.129 17741 1913 1 4 . 1 1 30 30 GLU C C 360 178.598 178.598 178.248 0.350 17741 1914 1 4 . 1 1 30 30 GLU CA C 360 59.512 59.512 58.473 1.039 17741 1915 1 4 . 1 1 30 30 GLU CB C 360 29.188 29.188 28.913 0.275 17741 1916 1 4 . 1 1 30 30 GLU H H 360 8.343 8.343 8.636 -0.293 17741 1917 1 4 . 1 1 31 31 SER N N 361 113.313 113.313 114.502 -1.189 17741 1918 1 4 . 1 1 31 31 SER HA H 361 4.485 4.485 4.456 0.029 17741 1919 1 4 . 1 1 31 31 SER C C 361 172.284 172.284 173.438 -1.154 17741 1920 1 4 . 1 1 31 31 SER CA C 361 58.745 58.745 58.398 0.347 17741 1921 1 4 . 1 1 31 31 SER CB C 361 63.728 63.728 63.241 0.487 17741 1922 1 4 . 1 1 31 31 SER H H 361 7.466 7.466 7.674 -0.208 17741 1923 1 4 . 1 1 32 32 LYS N N 362 115.197 115.197 117.583 -2.386 17741 1924 1 4 . 1 1 32 32 LYS HA H 362 3.894 3.894 3.760 0.134 17741 1925 1 4 . 1 1 32 32 LYS C C 362 175.489 175.489 175.087 0.402 17741 1926 1 4 . 1 1 32 32 LYS CA C 362 57.641 57.641 57.400 0.241 17741 1927 1 4 . 1 1 32 32 LYS CB C 362 29.811 29.811 30.008 -0.197 17741 1928 1 4 . 1 1 32 32 LYS H H 362 7.741 7.741 7.456 0.285 17741 1929 1 4 . 1 1 33 33 ILE N N 363 118.359 118.359 119.313 -0.954 17741 1930 1 4 . 1 1 33 33 ILE HA H 363 5.356 5.356 4.937 0.419 17741 1931 1 4 . 1 1 33 33 ILE C C 363 177.019 177.019 175.531 1.488 17741 1932 1 4 . 1 1 33 33 ILE CA C 363 60.455 60.455 60.962 -0.507 17741 1933 1 4 . 1 1 33 33 ILE CB C 363 40.081 40.081 39.781 0.300 17741 1934 1 4 . 1 1 33 33 ILE H H 363 8.268 8.268 8.383 -0.115 17741 1935 1 4 . 1 1 34 34 PHE N N 364 128.287 128.287 125.620 2.667 17741 1936 1 4 . 1 1 34 34 PHE HA H 364 5.576 5.576 5.731 -0.155 17741 1937 1 4 . 1 1 34 34 PHE C C 364 170.447 170.447 172.989 -2.542 17741 1938 1 4 . 1 1 34 34 PHE CA C 364 55.128 55.128 55.389 -0.261 17741 1939 1 4 . 1 1 34 34 PHE CB C 364 44.010 44.010 42.974 1.036 17741 1940 1 4 . 1 1 34 34 PHE H H 364 9.962 9.962 9.359 0.603 17741 1941 1 4 . 1 1 35 35 ARG N N 365 120.900 120.900 122.483 -1.583 17741 1942 1 4 . 1 1 35 35 ARG HA H 365 5.486 5.486 5.149 0.337 17741 1943 1 4 . 1 1 35 35 ARG C C 365 176.462 176.462 175.658 0.804 17741 1944 1 4 . 1 1 35 35 ARG CA C 365 53.609 53.609 53.764 -0.155 17741 1945 1 4 . 1 1 35 35 ARG CB C 365 36.518 36.518 32.705 3.813 17741 1946 1 4 . 1 1 35 35 ARG H H 365 9.427 9.427 9.318 0.109 17741 1947 1 4 . 1 1 36 36 ILE N N 366 125.534 125.534 128.414 -2.880 17741 1948 1 4 . 1 1 36 36 ILE HA H 366 4.209 4.209 4.144 0.066 17741 1949 1 4 . 1 1 36 36 ILE C C 366 173.899 173.899 175.437 -1.538 17741 1950 1 4 . 1 1 36 36 ILE CA C 366 63.033 63.033 62.909 0.124 17741 1951 1 4 . 1 1 36 36 ILE CB C 366 37.889 37.889 37.622 0.267 17741 1952 1 4 . 1 1 36 36 ILE H H 366 8.643 8.643 9.110 -0.467 17741 1953 1 4 . 1 1 37 37 VAL N N 367 129.194 129.194 127.584 1.610 17741 1954 1 4 . 1 1 37 37 VAL HA H 367 3.679 3.679 3.985 -0.306 17741 1955 1 4 . 1 1 37 37 VAL C C 367 175.919 175.919 176.202 -0.283 17741 1956 1 4 . 1 1 37 37 VAL CA C 367 64.068 64.068 63.877 0.191 17741 1957 1 4 . 1 1 37 37 VAL CB C 367 32.884 32.884 32.160 0.724 17741 1958 1 4 . 1 1 37 37 VAL H H 367 7.841 7.841 8.291 -0.450 17741 1959 1 4 . 1 1 38 38 ASP N N 368 114.969 114.969 119.651 -4.682 17741 1960 1 4 . 1 1 38 38 ASP HA H 368 5.222 5.222 5.000 0.222 17741 1961 1 4 . 1 1 38 38 ASP C C 368 173.227 173.227 174.529 -1.302 17741 1962 1 4 . 1 1 38 38 ASP CA C 368 50.238 50.238 51.324 -1.086 17741 1963 1 4 . 1 1 38 38 ASP CB C 368 42.181 42.181 42.505 -0.324 17741 1964 1 4 . 1 1 38 38 ASP H H 368 7.316 7.316 8.070 -0.754 17741 1965 1 4 . 1 1 39 39 PRO HA H 369 3.809 3.809 4.116 -0.307 17741 1966 1 4 . 1 1 39 39 PRO C C 369 177.958 177.958 178.498 -0.540 17741 1967 1 4 . 1 1 39 39 PRO CA C 369 65.612 65.612 65.100 0.512 17741 1968 1 4 . 1 1 39 39 PRO CB C 369 31.068 31.068 31.808 -0.740 17741 1969 1 4 . 1 1 40 40 ASN N N 370 115.480 115.480 117.413 -1.933 17741 1970 1 4 . 1 1 40 40 ASN HA H 370 4.604 4.604 4.526 0.078 17741 1971 1 4 . 1 1 40 40 ASN C C 370 178.566 178.566 177.836 0.730 17741 1972 1 4 . 1 1 40 40 ASN CA C 370 56.471 56.471 56.389 0.082 17741 1973 1 4 . 1 1 40 40 ASN CB C 370 38.068 38.068 38.237 -0.169 17741 1974 1 4 . 1 1 40 40 ASN H H 370 8.094 8.094 8.028 0.066 17741 1975 1 4 . 1 1 41 41 GLY N N 371 111.371 111.371 108.251 3.120 17741 1976 1 4 . 1 1 41 41 GLY C C 371 176.018 176.018 175.590 0.428 17741 1977 1 4 . 1 1 41 41 GLY CA C 371 47.862 47.862 46.320 1.542 17741 1978 1 4 . 1 1 41 41 GLY H H 371 8.632 8.632 9.194 -0.562 17741 1979 1 4 . 1 1 42 42 LEU N N 372 122.901 122.901 122.413 0.488 17741 1980 1 4 . 1 1 42 42 LEU HA H 372 4.035 4.035 4.205 -0.170 17741 1981 1 4 . 1 1 42 42 LEU C C 372 177.704 177.704 178.573 -0.869 17741 1982 1 4 . 1 1 42 42 LEU CA C 372 57.913 57.913 56.995 0.918 17741 1983 1 4 . 1 1 42 42 LEU CB C 372 42.136 42.136 41.285 0.851 17741 1984 1 4 . 1 1 42 42 LEU H H 372 8.876 8.876 7.861 1.015 17741 1985 1 4 . 1 1 43 43 ALA N N 373 120.103 120.103 121.814 -1.711 17741 1986 1 4 . 1 1 43 43 ALA HA H 373 4.462 4.462 4.188 0.274 17741 1987 1 4 . 1 1 43 43 ALA C C 373 179.091 179.091 179.172 -0.081 17741 1988 1 4 . 1 1 43 43 ALA CA C 373 55.441 55.441 55.264 0.177 17741 1989 1 4 . 1 1 43 43 ALA CB C 373 18.098 18.098 18.532 -0.434 17741 1990 1 4 . 1 1 43 43 ALA H H 373 8.062 8.062 8.563 -0.501 17741 1991 1 4 . 1 1 44 44 ARG N N 374 118.071 118.071 118.973 -0.902 17741 1992 1 4 . 1 1 44 44 ARG HA H 374 4.117 4.117 4.097 0.020 17741 1993 1 4 . 1 1 44 44 ARG C C 374 179.414 179.414 178.327 1.087 17741 1994 1 4 . 1 1 44 44 ARG CA C 374 59.297 59.297 58.987 0.310 17741 1995 1 4 . 1 1 44 44 ARG CB C 374 30.069 30.069 29.873 0.195 17741 1996 1 4 . 1 1 44 44 ARG H H 374 7.725 7.725 7.572 0.153 17741 1997 1 4 . 1 1 45 45 LEU N N 375 121.601 121.601 121.609 -0.008 17741 1998 1 4 . 1 1 45 45 LEU HA H 375 4.015 4.015 4.184 -0.169 17741 1999 1 4 . 1 1 45 45 LEU C C 375 180.087 180.087 178.812 1.275 17741 2000 1 4 . 1 1 45 45 LEU CA C 375 58.553 58.553 58.282 0.271 17741 2001 1 4 . 1 1 45 45 LEU CB C 375 41.495 41.495 41.324 0.171 17741 2002 1 4 . 1 1 45 45 LEU H H 375 7.877 7.877 7.529 0.348 17741 2003 1 4 . 1 1 46 46 TRP N N 376 121.543 121.543 121.135 0.408 17741 2004 1 4 . 1 1 46 46 TRP HA H 376 4.333 4.333 3.870 0.463 17741 2005 1 4 . 1 1 46 46 TRP C C 376 177.572 177.572 178.336 -0.764 17741 2006 1 4 . 1 1 46 46 TRP CA C 376 59.091 59.091 59.305 -0.214 17741 2007 1 4 . 1 1 46 46 TRP CB C 376 30.305 30.305 29.639 0.666 17741 2008 1 4 . 1 1 46 46 TRP H H 376 8.615 8.615 8.690 -0.075 17741 2009 1 4 . 1 1 47 47 GLY N N 377 105.532 105.532 105.856 -0.324 17741 2010 1 4 . 1 1 47 47 GLY C C 377 176.057 176.057 176.000 0.057 17741 2011 1 4 . 1 1 47 47 GLY CA C 377 48.035 48.035 46.872 1.163 17741 2012 1 4 . 1 1 47 47 GLY H H 377 8.877 8.877 8.814 0.063 17741 2013 1 4 . 1 1 48 48 ASN N N 378 119.996 119.996 120.100 -0.104 17741 2014 1 4 . 1 1 48 48 ASN HA H 378 4.403 4.403 4.413 -0.010 17741 2015 1 4 . 1 1 48 48 ASN C C 378 178.112 178.112 177.011 1.101 17741 2016 1 4 . 1 1 48 48 ASN CA C 378 56.229 56.229 56.355 -0.126 17741 2017 1 4 . 1 1 48 48 ASN CB C 378 38.272 38.272 38.584 -0.312 17741 2018 1 4 . 1 1 48 48 ASN H H 378 8.176 8.176 8.054 0.122 17741 2019 1 4 . 1 1 49 49 HIS N N 379 121.459 121.459 119.171 2.288 17741 2020 1 4 . 1 1 49 49 HIS HA H 379 4.129 4.129 4.300 -0.171 17741 2021 1 4 . 1 1 49 49 HIS C C 379 175.858 175.858 176.681 -0.823 17741 2022 1 4 . 1 1 49 49 HIS CA C 379 59.234 59.234 58.658 0.576 17741 2023 1 4 . 1 1 49 49 HIS CB C 379 29.473 29.473 29.735 -0.262 17741 2024 1 4 . 1 1 49 49 HIS H H 379 8.138 8.138 8.380 -0.242 17741 2025 1 4 . 1 1 50 50 LYS N N 380 115.130 115.130 115.392 -0.262 17741 2026 1 4 . 1 1 50 50 LYS HA H 380 3.797 3.797 4.042 -0.245 17741 2027 1 4 . 1 1 50 50 LYS C C 380 175.468 175.468 175.613 -0.145 17741 2028 1 4 . 1 1 50 50 LYS CA C 380 54.085 54.085 56.010 -1.925 17741 2029 1 4 . 1 1 50 50 LYS CB C 380 30.887 30.887 32.574 -1.687 17741 2030 1 4 . 1 1 50 50 LYS H H 380 7.552 7.552 7.687 -0.135 17741 2031 1 4 . 1 1 51 51 ASN N N 381 116.632 116.632 113.992 2.640 17741 2032 1 4 . 1 1 51 51 ASN HA H 381 4.264 4.264 4.288 -0.024 17741 2033 1 4 . 1 1 51 51 ASN C C 381 174.332 174.332 173.775 0.557 17741 2034 1 4 . 1 1 51 51 ASN CA C 381 54.189 54.189 54.312 -0.123 17741 2035 1 4 . 1 1 51 51 ASN CB C 381 37.343 37.343 37.180 0.163 17741 2036 1 4 . 1 1 51 51 ASN H H 381 7.715 7.715 7.648 0.067 17741 2037 1 4 . 1 1 52 52 ARG N N 382 117.701 117.701 118.721 -1.020 17741 2038 1 4 . 1 1 52 52 ARG HA H 382 4.583 4.583 4.659 -0.076 17741 2039 1 4 . 1 1 52 52 ARG C C 382 176.172 176.172 175.920 0.252 17741 2040 1 4 . 1 1 52 52 ARG CA C 382 54.167 54.167 53.920 0.247 17741 2041 1 4 . 1 1 52 52 ARG CB C 382 31.882 31.882 31.165 0.717 17741 2042 1 4 . 1 1 52 52 ARG H H 382 8.465 8.465 8.076 0.389 17741 2043 1 4 . 1 1 53 53 THR N N 383 114.338 114.338 119.001 -4.663 17741 2044 1 4 . 1 1 53 53 THR HA H 383 4.208 4.208 4.075 0.133 17741 2045 1 4 . 1 1 53 53 THR C C 383 174.496 174.496 175.145 -0.649 17741 2046 1 4 . 1 1 53 53 THR CA C 383 62.345 62.345 64.976 -2.631 17741 2047 1 4 . 1 1 53 53 THR CB C 383 69.699 69.699 69.023 0.676 17741 2048 1 4 . 1 1 53 53 THR H H 383 8.274 8.274 8.650 -0.376 17741 2049 1 4 . 1 1 54 54 ASN N N 384 119.031 119.031 119.034 -0.003 17741 2050 1 4 . 1 1 54 54 ASN HA H 384 4.607 4.607 4.745 -0.138 17741 2051 1 4 . 1 1 54 54 ASN C C 384 174.829 174.829 173.762 1.067 17741 2052 1 4 . 1 1 54 54 ASN CA C 384 53.155 53.155 52.652 0.503 17741 2053 1 4 . 1 1 54 54 ASN CB C 384 37.871 37.871 38.533 -0.662 17741 2054 1 4 . 1 1 54 54 ASN H H 384 8.457 8.457 8.189 0.268 17741 2055 1 4 . 1 1 55 55 MET N N 385 119.922 119.922 120.595 -0.673 17741 2056 1 4 . 1 1 55 55 MET HA H 385 4.558 4.558 4.592 -0.034 17741 2057 1 4 . 1 1 55 55 MET C C 385 174.921 174.921 174.313 0.608 17741 2058 1 4 . 1 1 55 55 MET CA C 385 55.271 55.271 54.096 1.175 17741 2059 1 4 . 1 1 55 55 MET CB C 385 30.991 30.991 32.735 -1.744 17741 2060 1 4 . 1 1 55 55 MET H H 385 8.073 8.073 7.347 0.726 17741 2061 1 4 . 1 1 56 56 THR N N 386 113.771 113.771 116.767 -2.996 17741 2062 1 4 . 1 1 56 56 THR HA H 386 4.693 4.693 4.663 0.030 17741 2063 1 4 . 1 1 56 56 THR C C 386 175.459 175.459 174.897 0.562 17741 2064 1 4 . 1 1 56 56 THR CA C 386 59.043 59.043 58.994 0.049 17741 2065 1 4 . 1 1 56 56 THR CB C 386 72.393 72.393 71.953 0.440 17741 2066 1 4 . 1 1 56 56 THR H H 386 7.076 7.076 7.885 -0.809 17741 2067 1 4 . 1 1 57 57 TYR N N 387 123.521 123.521 121.423 2.098 17741 2068 1 4 . 1 1 57 57 TYR HA H 387 4.127 4.127 4.255 -0.128 17741 2069 1 4 . 1 1 57 57 TYR C C 387 177.432 177.432 176.837 0.595 17741 2070 1 4 . 1 1 57 57 TYR CA C 387 62.527 62.527 61.212 1.315 17741 2071 1 4 . 1 1 57 57 TYR CB C 387 37.289 37.289 38.726 -1.437 17741 2072 1 4 . 1 1 57 57 TYR H H 387 9.726 9.726 9.088 0.638 17741 2073 1 4 . 1 1 58 58 GLU N N 388 121.083 121.083 119.728 1.355 17741 2074 1 4 . 1 1 58 58 GLU HA H 388 3.825 3.825 3.781 0.044 17741 2075 1 4 . 1 1 58 58 GLU C C 388 179.225 179.225 178.699 0.526 17741 2076 1 4 . 1 1 58 58 GLU CA C 388 60.476 60.476 59.711 0.765 17741 2077 1 4 . 1 1 58 58 GLU CB C 388 29.087 29.087 29.138 -0.051 17741 2078 1 4 . 1 1 58 58 GLU H H 388 8.843 8.843 8.036 0.807 17741 2079 1 4 . 1 1 59 59 LYS N N 389 119.209 119.209 119.025 0.184 17741 2080 1 4 . 1 1 59 59 LYS HA H 389 3.971 3.971 3.979 -0.008 17741 2081 1 4 . 1 1 59 59 LYS C C 389 179.944 179.944 179.096 0.848 17741 2082 1 4 . 1 1 59 59 LYS CA C 389 59.897 59.897 58.993 0.904 17741 2083 1 4 . 1 1 59 59 LYS CB C 389 33.359 33.359 32.092 1.267 17741 2084 1 4 . 1 1 59 59 LYS H H 389 7.605 7.605 7.470 0.135 17741 2085 1 4 . 1 1 60 60 MET N N 390 122.401 122.401 120.946 1.455 17741 2086 1 4 . 1 1 60 60 MET HA H 390 3.944 3.944 3.902 0.042 17741 2087 1 4 . 1 1 60 60 MET C C 390 177.716 177.716 177.200 0.516 17741 2088 1 4 . 1 1 60 60 MET CA C 390 59.547 59.547 59.203 0.344 17741 2089 1 4 . 1 1 60 60 MET CB C 390 33.315 33.315 32.468 0.847 17741 2090 1 4 . 1 1 60 60 MET H H 390 8.229 8.229 7.693 0.536 17741 2091 1 4 . 1 1 61 61 SER N N 391 114.652 114.652 114.691 -0.039 17741 2092 1 4 . 1 1 61 61 SER HA H 391 3.771 3.771 3.798 -0.027 17741 2093 1 4 . 1 1 61 61 SER C C 391 176.449 176.449 176.377 0.072 17741 2094 1 4 . 1 1 61 61 SER CA C 391 61.554 61.554 61.712 -0.158 17741 2095 1 4 . 1 1 61 61 SER CB C 391 62.278 62.278 62.898 -0.620 17741 2096 1 4 . 1 1 61 61 SER H H 391 8.829 8.829 8.279 0.550 17741 2097 1 4 . 1 1 62 62 ARG N N 392 122.213 122.213 121.340 0.873 17741 2098 1 4 . 1 1 62 62 ARG HA H 392 3.945 3.945 3.973 -0.028 17741 2099 1 4 . 1 1 62 62 ARG C C 392 178.600 178.600 177.939 0.661 17741 2100 1 4 . 1 1 62 62 ARG CA C 392 59.571 59.571 58.555 1.016 17741 2101 1 4 . 1 1 62 62 ARG CB C 392 29.914 29.914 29.007 0.907 17741 2102 1 4 . 1 1 62 62 ARG H H 392 7.413 7.413 8.156 -0.743 17741 2103 1 4 . 1 1 63 63 ALA N N 393 122.327 122.327 122.090 0.237 17741 2104 1 4 . 1 1 63 63 ALA HA H 393 4.157 4.157 3.798 0.359 17741 2105 1 4 . 1 1 63 63 ALA C C 393 180.147 180.147 178.920 1.227 17741 2106 1 4 . 1 1 63 63 ALA CA C 393 54.749 54.749 54.390 0.359 17741 2107 1 4 . 1 1 63 63 ALA CB C 393 18.529 18.529 18.110 0.419 17741 2108 1 4 . 1 1 63 63 ALA H H 393 7.256 7.256 7.239 0.017 17741 2109 1 4 . 1 1 64 64 LEU N N 394 117.582 117.582 118.794 -1.212 17741 2110 1 4 . 1 1 64 64 LEU HA H 394 3.769 3.769 3.453 0.316 17741 2111 1 4 . 1 1 64 64 LEU C C 394 178.139 178.139 178.529 -0.390 17741 2112 1 4 . 1 1 64 64 LEU CA C 394 58.012 58.012 57.401 0.611 17741 2113 1 4 . 1 1 64 64 LEU CB C 394 41.396 41.396 41.171 0.225 17741 2114 1 4 . 1 1 64 64 LEU H H 394 7.768 7.768 8.072 -0.304 17741 2115 1 4 . 1 1 65 65 ARG N N 395 116.204 116.204 116.440 -0.236 17741 2116 1 4 . 1 1 65 65 ARG HA H 395 3.445 3.445 3.404 0.041 17741 2117 1 4 . 1 1 65 65 ARG C C 395 179.423 179.423 178.693 0.730 17741 2118 1 4 . 1 1 65 65 ARG CA C 395 58.829 58.829 58.313 0.516 17741 2119 1 4 . 1 1 65 65 ARG CB C 395 29.776 29.776 29.277 0.499 17741 2120 1 4 . 1 1 65 65 ARG H H 395 7.595 7.595 8.194 -0.599 17741 2121 1 4 . 1 1 66 66 HIS N N 396 118.573 118.573 119.437 -0.864 17741 2122 1 4 . 1 1 66 66 HIS HA H 396 4.401 4.401 4.388 0.013 17741 2123 1 4 . 1 1 66 66 HIS C C 396 177.218 177.218 177.441 -0.223 17741 2124 1 4 . 1 1 66 66 HIS CA C 396 58.821 58.821 58.958 -0.137 17741 2125 1 4 . 1 1 66 66 HIS CB C 396 29.753 29.753 29.499 0.254 17741 2126 1 4 . 1 1 66 66 HIS H H 396 7.362 7.362 7.171 0.191 17741 2127 1 4 . 1 1 67 67 TYR N N 397 115.773 115.773 119.193 -3.420 17741 2128 1 4 . 1 1 67 67 TYR HA H 397 4.259 4.259 4.070 0.189 17741 2129 1 4 . 1 1 67 67 TYR C C 397 178.802 178.802 178.283 0.519 17741 2130 1 4 . 1 1 67 67 TYR CA C 397 60.329 60.329 59.690 0.639 17741 2131 1 4 . 1 1 67 67 TYR CB C 397 37.379 37.379 36.770 0.609 17741 2132 1 4 . 1 1 67 67 TYR H H 397 7.568 7.568 7.730 -0.162 17741 2133 1 4 . 1 1 68 68 TYR N N 398 121.825 121.825 118.159 3.666 17741 2134 1 4 . 1 1 68 68 TYR HA H 398 5.413 5.413 4.666 0.747 17741 2135 1 4 . 1 1 68 68 TYR C C 398 181.169 181.169 178.816 2.353 17741 2136 1 4 . 1 1 68 68 TYR CA C 398 57.775 57.775 59.717 -1.942 17741 2137 1 4 . 1 1 68 68 TYR CB C 398 36.972 36.972 37.158 -0.186 17741 2138 1 4 . 1 1 68 68 TYR H H 398 8.116 8.116 7.645 0.471 17741 2139 1 4 . 1 1 69 69 LYS N N 399 120.934 120.934 117.760 3.174 17741 2140 1 4 . 1 1 69 69 LYS HA H 399 4.127 4.127 4.146 -0.019 17741 2141 1 4 . 1 1 69 69 LYS C C 399 177.928 177.928 177.744 0.184 17741 2142 1 4 . 1 1 69 69 LYS CA C 399 58.912 58.912 59.008 -0.096 17741 2143 1 4 . 1 1 69 69 LYS CB C 399 32.188 32.188 32.129 0.059 17741 2144 1 4 . 1 1 69 69 LYS H H 399 7.771 7.771 8.286 -0.515 17741 2145 1 4 . 1 1 70 70 LEU N N 400 116.022 116.022 117.118 -1.096 17741 2146 1 4 . 1 1 70 70 LEU HA H 400 4.291 4.291 4.341 -0.050 17741 2147 1 4 . 1 1 70 70 LEU C C 400 175.827 175.827 176.164 -0.337 17741 2148 1 4 . 1 1 70 70 LEU CA C 400 54.675 54.675 54.300 0.375 17741 2149 1 4 . 1 1 70 70 LEU CB C 400 43.081 43.081 40.800 2.281 17741 2150 1 4 . 1 1 70 70 LEU H H 400 7.144 7.144 7.410 -0.266 17741 2151 1 4 . 1 1 71 71 ASN N N 401 115.201 115.201 114.081 1.120 17741 2152 1 4 . 1 1 71 71 ASN HA H 401 4.352 4.352 4.347 0.005 17741 2153 1 4 . 1 1 71 71 ASN C C 401 173.517 173.517 174.926 -1.409 17741 2154 1 4 . 1 1 71 71 ASN CA C 401 54.602 54.602 54.739 -0.137 17741 2155 1 4 . 1 1 71 71 ASN CB C 401 37.381 37.381 37.398 -0.017 17741 2156 1 4 . 1 1 71 71 ASN H H 401 8.047 8.047 7.675 0.372 17741 2157 1 4 . 1 1 72 72 ILE N N 402 113.907 113.907 116.042 -2.135 17741 2158 1 4 . 1 1 72 72 ILE HA H 402 4.059 4.059 4.019 0.040 17741 2159 1 4 . 1 1 72 72 ILE C C 402 176.279 176.279 175.537 0.742 17741 2160 1 4 . 1 1 72 72 ILE CA C 402 63.797 63.797 62.788 1.010 17741 2161 1 4 . 1 1 72 72 ILE CB C 402 40.395 40.395 39.921 0.474 17741 2162 1 4 . 1 1 72 72 ILE H H 402 7.986 7.986 8.350 -0.364 17741 2163 1 4 . 1 1 73 73 ILE N N 403 116.766 116.766 115.335 1.431 17741 2164 1 4 . 1 1 73 73 ILE HA H 403 5.042 5.042 4.640 0.402 17741 2165 1 4 . 1 1 73 73 ILE C C 403 173.945 173.945 174.237 -0.292 17741 2166 1 4 . 1 1 73 73 ILE CA C 403 59.247 59.247 59.276 -0.028 17741 2167 1 4 . 1 1 73 73 ILE CB C 403 43.414 43.414 42.251 1.163 17741 2168 1 4 . 1 1 73 73 ILE H H 403 7.042 7.042 7.123 -0.081 17741 2169 1 4 . 1 1 74 74 ARG N N 404 123.256 123.256 121.164 2.092 17741 2170 1 4 . 1 1 74 74 ARG HA H 404 4.751 4.751 4.534 0.217 17741 2171 1 4 . 1 1 74 74 ARG C C 404 174.757 174.757 173.691 1.066 17741 2172 1 4 . 1 1 74 74 ARG CA C 404 54.274 54.274 54.519 -0.245 17741 2173 1 4 . 1 1 74 74 ARG CB C 404 34.492 34.492 33.647 0.845 17741 2174 1 4 . 1 1 74 74 ARG H H 404 8.931 8.931 9.160 -0.229 17741 2175 1 4 . 1 1 75 75 LYS N N 405 125.627 125.627 121.376 4.251 17741 2176 1 4 . 1 1 75 75 LYS HA H 405 4.076 4.076 4.268 -0.192 17741 2177 1 4 . 1 1 75 75 LYS C C 405 176.481 176.481 175.829 0.652 17741 2178 1 4 . 1 1 75 75 LYS CA C 405 56.446 56.446 54.212 2.234 17741 2179 1 4 . 1 1 75 75 LYS CB C 405 32.758 32.758 33.808 -1.050 17741 2180 1 4 . 1 1 75 75 LYS H H 405 8.294 8.294 8.189 0.105 17741 2181 1 4 . 1 1 76 76 GLU N N 406 128.187 128.187 125.081 3.106 17741 2182 1 4 . 1 1 76 76 GLU HA H 406 4.447 4.447 4.524 -0.077 17741 2183 1 4 . 1 1 76 76 GLU C C 406 174.401 174.401 174.971 -0.570 17741 2184 1 4 . 1 1 76 76 GLU CA C 406 53.751 53.751 53.539 0.212 17741 2185 1 4 . 1 1 76 76 GLU CB C 406 29.951 29.951 28.971 0.980 17741 2186 1 4 . 1 1 76 76 GLU H H 406 8.016 8.016 7.912 0.104 17741 2187 1 4 . 1 1 77 77 PRO HA H 407 4.288 4.288 4.275 0.013 17741 2188 1 4 . 1 1 77 77 PRO C C 407 177.654 177.654 177.460 0.194 17741 2189 1 4 . 1 1 77 77 PRO CA C 407 63.433 63.433 63.583 -0.150 17741 2190 1 4 . 1 1 77 77 PRO CB C 407 32.152 32.152 30.867 1.285 17741 2191 1 4 . 1 1 78 78 GLY N N 408 109.679 109.679 113.606 -3.927 17741 2192 1 4 . 1 1 78 78 GLY C C 408 173.976 173.976 174.287 -0.311 17741 2193 1 4 . 1 1 78 78 GLY CA C 408 45.539 45.539 44.758 0.781 17741 2194 1 4 . 1 1 78 78 GLY H H 408 8.514 8.514 8.636 -0.122 17741 2195 1 4 . 1 1 79 79 GLN N N 409 116.897 116.897 120.350 -3.453 17741 2196 1 4 . 1 1 79 79 GLN HA H 409 4.489 4.489 4.250 0.239 17741 2197 1 4 . 1 1 79 79 GLN C C 409 175.371 175.371 175.742 -0.371 17741 2198 1 4 . 1 1 79 79 GLN CA C 409 54.472 54.472 55.596 -1.124 17741 2199 1 4 . 1 1 79 79 GLN CB C 409 31.301 31.301 29.510 1.791 17741 2200 1 4 . 1 1 79 79 GLN H H 409 7.572 7.572 7.560 0.012 17741 2201 1 4 . 1 1 80 80 ARG N N 410 120.458 120.458 122.785 -2.327 17741 2202 1 4 . 1 1 80 80 ARG HA H 410 4.275 4.275 4.128 0.147 17741 2203 1 4 . 1 1 80 80 ARG C C 410 176.227 176.227 177.687 -1.460 17741 2204 1 4 . 1 1 80 80 ARG CA C 410 56.891 56.891 58.553 -1.662 17741 2205 1 4 . 1 1 80 80 ARG CB C 410 31.475 31.475 30.398 1.077 17741 2206 1 4 . 1 1 80 80 ARG H H 410 8.254 8.254 8.577 -0.323 17741 2207 1 4 . 1 1 81 81 LEU N N 411 119.424 119.424 118.389 1.035 17741 2208 1 4 . 1 1 81 81 LEU HA H 411 4.048 4.048 4.489 -0.442 17741 2209 1 4 . 1 1 81 81 LEU C C 411 173.277 173.277 175.113 -1.836 17741 2210 1 4 . 1 1 81 81 LEU CA C 411 55.111 55.111 53.707 1.404 17741 2211 1 4 . 1 1 81 81 LEU CB C 411 40.298 40.298 42.312 -2.014 17741 2212 1 4 . 1 1 81 81 LEU H H 411 8.467 8.467 7.737 0.730 17741 2213 1 4 . 1 1 82 82 LEU N N 412 119.126 119.126 121.573 -2.447 17741 2214 1 4 . 1 1 82 82 LEU HA H 412 5.036 5.036 4.835 0.201 17741 2215 1 4 . 1 1 82 82 LEU C C 412 175.323 175.323 174.687 0.636 17741 2216 1 4 . 1 1 82 82 LEU CA C 412 53.175 53.175 53.630 -0.455 17741 2217 1 4 . 1 1 82 82 LEU CB C 412 45.482 45.482 43.060 2.422 17741 2218 1 4 . 1 1 82 82 LEU H H 412 6.769 6.769 7.220 -0.451 17741 2219 1 4 . 1 1 83 83 PHE N N 413 122.107 122.107 124.242 -2.135 17741 2220 1 4 . 1 1 83 83 PHE HA H 413 4.848 4.848 4.956 -0.108 17741 2221 1 4 . 1 1 83 83 PHE C C 413 172.764 172.764 173.745 -0.981 17741 2222 1 4 . 1 1 83 83 PHE CA C 413 55.848 55.848 56.119 -0.271 17741 2223 1 4 . 1 1 83 83 PHE CB C 413 44.675 44.675 42.653 2.022 17741 2224 1 4 . 1 1 83 83 PHE H H 413 8.648 8.648 8.959 -0.311 17741 2225 1 4 . 1 1 84 84 ARG N N 414 119.466 119.466 122.724 -3.258 17741 2226 1 4 . 1 1 84 84 ARG HA H 414 5.578 5.578 5.191 0.387 17741 2227 1 4 . 1 1 84 84 ARG C C 414 177.476 177.476 175.334 2.142 17741 2228 1 4 . 1 1 84 84 ARG CA C 414 54.198 54.198 54.176 0.022 17741 2229 1 4 . 1 1 84 84 ARG CB C 414 36.128 36.128 33.546 2.582 17741 2230 1 4 . 1 1 84 84 ARG H H 414 9.117 9.117 8.566 0.551 17741 2231 1 4 . 1 1 85 85 PHE N N 415 124.357 124.357 127.431 -3.074 17741 2232 1 4 . 1 1 85 85 PHE HA H 415 5.037 5.037 4.721 0.316 17741 2233 1 4 . 1 1 85 85 PHE C C 415 176.084 176.084 176.073 0.011 17741 2234 1 4 . 1 1 85 85 PHE CA C 415 59.719 59.719 60.545 -0.826 17741 2235 1 4 . 1 1 85 85 PHE CB C 415 40.812 40.812 39.052 1.760 17741 2236 1 4 . 1 1 85 85 PHE H H 415 8.984 8.984 9.396 -0.412 17741 2237 1 4 . 1 1 86 86 MET N N 416 121.301 121.301 123.031 -1.730 17741 2238 1 4 . 1 1 86 86 MET HA H 416 4.670 4.670 4.193 0.477 17741 2239 1 4 . 1 1 86 86 MET C C 416 176.543 176.543 176.687 -0.144 17741 2240 1 4 . 1 1 86 86 MET CA C 416 54.863 54.863 58.273 -3.410 17741 2241 1 4 . 1 1 86 86 MET CB C 416 31.711 31.711 32.967 -1.256 17741 2242 1 4 . 1 1 86 86 MET H H 416 8.671 8.671 8.590 0.081 17741 2243 1 4 . 1 1 87 87 LYS N N 417 117.759 117.759 115.152 2.607 17741 2244 1 4 . 1 1 87 87 LYS HA H 417 4.856 4.856 4.622 0.234 17741 2245 1 4 . 1 1 87 87 LYS C C 417 175.445 175.445 175.186 0.259 17741 2246 1 4 . 1 1 87 87 LYS CA C 417 54.550 54.550 54.570 -0.020 17741 2247 1 4 . 1 1 87 87 LYS CB C 417 37.828 37.828 36.233 1.595 17741 2248 1 4 . 1 1 87 87 LYS H H 417 7.656 7.656 7.634 0.022 17741 2249 1 4 . 1 1 88 88 THR N N 418 112.506 112.506 111.091 1.415 17741 2250 1 4 . 1 1 88 88 THR HA H 418 4.372 4.372 5.076 -0.704 17741 2251 1 4 . 1 1 88 88 THR C C 418 173.594 173.594 173.852 -0.258 17741 2252 1 4 . 1 1 88 88 THR CA C 418 59.640 59.640 58.495 1.145 17741 2253 1 4 . 1 1 88 88 THR CB C 418 68.065 68.065 69.643 -1.578 17741 2254 1 4 . 1 1 88 88 THR H H 418 8.685 8.685 8.337 0.348 17741 2255 1 4 . 1 1 89 89 PRO HA H 419 3.748 3.748 4.009 -0.261 17741 2256 1 4 . 1 1 89 89 PRO C C 419 177.219 177.219 178.715 -1.496 17741 2257 1 4 . 1 1 89 89 PRO CA C 419 65.592 65.592 66.208 -0.616 17741 2258 1 4 . 1 1 89 89 PRO CB C 419 31.739 31.739 31.794 -0.055 17741 2259 1 4 . 1 1 90 90 ASP N N 420 114.631 114.631 115.971 -1.340 17741 2260 1 4 . 1 1 90 90 ASP HA H 420 4.265 4.265 4.421 -0.156 17741 2261 1 4 . 1 1 90 90 ASP C C 420 177.962 177.962 177.823 0.139 17741 2262 1 4 . 1 1 90 90 ASP CA C 420 56.371 56.371 56.944 -0.573 17741 2263 1 4 . 1 1 90 90 ASP CB C 420 40.662 40.662 40.688 -0.026 17741 2264 1 4 . 1 1 90 90 ASP H H 420 7.962 7.962 8.608 -0.646 17741 2265 1 4 . 1 1 91 91 GLU N N 421 119.501 119.501 118.346 1.155 17741 2266 1 4 . 1 1 91 91 GLU HA H 421 4.043 4.043 4.128 -0.085 17741 2267 1 4 . 1 1 91 91 GLU C C 421 178.599 178.599 179.044 -0.445 17741 2268 1 4 . 1 1 91 91 GLU CA C 421 58.113 58.113 58.698 -0.585 17741 2269 1 4 . 1 1 91 91 GLU CB C 421 30.721 30.721 30.167 0.554 17741 2270 1 4 . 1 1 91 91 GLU H H 421 7.661 7.661 7.860 -0.199 17741 2271 1 4 . 1 1 92 92 ILE N N 422 120.594 120.594 121.930 -1.336 17741 2272 1 4 . 1 1 92 92 ILE HA H 422 3.641 3.641 3.655 -0.014 17741 2273 1 4 . 1 1 92 92 ILE C C 422 177.752 177.752 177.385 0.367 17741 2274 1 4 . 1 1 92 92 ILE CA C 422 62.931 62.931 65.248 -2.317 17741 2275 1 4 . 1 1 92 92 ILE CB C 422 38.185 38.185 37.837 0.348 17741 2276 1 4 . 1 1 92 92 ILE H H 422 7.861 7.861 8.459 -0.598 17741 2277 1 4 . 1 1 93 93 MET N N 423 119.187 119.187 116.213 2.974 17741 2278 1 4 . 1 1 93 93 MET HA H 423 4.391 4.391 4.416 -0.025 17741 2279 1 4 . 1 1 93 93 MET C C 423 176.982 176.982 176.635 0.347 17741 2280 1 4 . 1 1 93 93 MET CA C 423 56.491 56.491 55.544 0.947 17741 2281 1 4 . 1 1 93 93 MET CB C 423 32.584 32.584 31.218 1.366 17741 2282 1 4 . 1 1 93 93 MET H H 423 8.158 8.158 8.264 -0.106 17741 2283 1 4 . 1 1 94 94 SER N N 424 114.933 114.933 114.891 0.042 17741 2284 1 4 . 1 1 94 94 SER HA H 424 4.394 4.394 4.423 -0.029 17741 2285 1 4 . 1 1 94 94 SER C C 424 175.238 175.238 175.134 0.104 17741 2286 1 4 . 1 1 94 94 SER CA C 424 59.423 59.423 59.085 0.338 17741 2287 1 4 . 1 1 94 94 SER CB C 424 63.695 63.695 62.865 0.830 17741 2288 1 4 . 1 1 94 94 SER H H 424 7.854 7.854 7.622 0.232 17741 2289 1 4 . 1 1 95 95 GLY N N 425 110.045 110.045 109.297 0.748 17741 2290 1 4 . 1 1 95 95 GLY C C 425 174.194 174.194 176.258 -2.064 17741 2291 1 4 . 1 1 95 95 GLY CA C 425 45.432 45.432 45.254 0.178 17741 2292 1 4 . 1 1 95 95 GLY H H 425 8.061 8.061 8.080 -0.019 17741 2293 1 4 . 1 1 96 96 ARG N N 426 119.987 119.987 122.293 -2.306 17741 2294 1 4 . 1 1 96 96 ARG HA H 426 4.475 4.475 4.161 0.314 17741 2295 1 4 . 1 1 96 96 ARG C C 426 177.308 177.308 177.235 0.073 17741 2296 1 4 . 1 1 96 96 ARG CA C 426 56.195 56.195 58.246 -2.051 17741 2297 1 4 . 1 1 96 96 ARG CB C 426 30.354 30.354 30.386 -0.032 17741 2298 1 4 . 1 1 96 96 ARG H H 426 8.092 8.092 7.875 0.217 17741 2299 1 4 . 1 1 97 97 THR N N 427 114.398 114.398 111.196 3.202 17741 2300 1 4 . 1 1 97 97 THR HA H 427 4.298 4.298 4.635 -0.337 17741 2301 1 4 . 1 1 97 97 THR C C 427 174.913 174.913 174.277 0.636 17741 2302 1 4 . 1 1 97 97 THR CA C 427 62.673 62.673 60.687 1.986 17741 2303 1 4 . 1 1 97 97 THR CB C 427 69.473 69.473 69.495 -0.022 17741 2304 1 4 . 1 1 97 97 THR H H 427 8.319 8.319 7.608 0.711 17741 2305 1 4 . 1 1 98 98 ASP N N 428 121.983 121.983 123.000 -1.017 17741 2306 1 4 . 1 1 98 98 ASP HA H 428 4.508 4.508 4.539 -0.031 17741 2307 1 4 . 1 1 98 98 ASP C C 428 176.956 176.956 177.489 -0.533 17741 2308 1 4 . 1 1 98 98 ASP CA C 428 55.433 55.433 57.115 -1.682 17741 2309 1 4 . 1 1 98 98 ASP CB C 428 40.746 40.746 41.122 -0.376 17741 2310 1 4 . 1 1 98 98 ASP H H 428 8.488 8.488 7.710 0.778 17741 2311 1 4 . 1 1 99 99 ARG N N 429 119.821 119.821 118.221 1.600 17741 2312 1 4 . 1 1 99 99 ARG HA H 429 4.277 4.277 4.248 0.029 17741 2313 1 4 . 1 1 99 99 ARG C C 429 177.078 177.078 178.447 -1.369 17741 2314 1 4 . 1 1 99 99 ARG CA C 429 56.984 56.984 58.371 -1.387 17741 2315 1 4 . 1 1 99 99 ARG CB C 429 30.224 30.224 30.307 -0.083 17741 2316 1 4 . 1 1 99 99 ARG H H 429 8.088 8.088 8.383 -0.295 17741 2317 1 4 . 1 1 100 100 LEU N N 430 120.887 120.887 121.232 -0.345 17741 2318 1 4 . 1 1 100 100 LEU HA H 430 4.176 4.176 4.251 -0.075 17741 2319 1 4 . 1 1 100 100 LEU C C 430 177.732 177.732 178.637 -0.905 17741 2320 1 4 . 1 1 100 100 LEU CA C 430 56.324 56.324 58.050 -1.726 17741 2321 1 4 . 1 1 100 100 LEU CB C 430 42.262 42.262 41.876 0.386 17741 2322 1 4 . 1 1 100 100 LEU H H 430 7.945 7.945 8.189 -0.244 17741 2323 1 4 . 1 1 101 101 GLU N N 431 119.799 119.799 117.735 2.064 17741 2324 1 4 . 1 1 101 101 GLU HA H 431 4.082 4.082 3.980 0.102 17741 2325 1 4 . 1 1 101 101 GLU C C 431 177.281 177.281 178.314 -1.033 17741 2326 1 4 . 1 1 101 101 GLU CA C 431 58.011 58.011 59.284 -1.273 17741 2327 1 4 . 1 1 101 101 GLU CB C 431 30.191 30.191 29.524 0.667 17741 2328 1 4 . 1 1 101 101 GLU H H 431 8.268 8.268 8.017 0.251 17741 2329 1 4 . 1 1 102 102 HIS N N 432 118.048 118.048 114.507 3.541 17741 2330 1 4 . 1 1 102 102 HIS HA H 432 4.584 4.584 4.436 0.148 17741 2331 1 4 . 1 1 102 102 HIS C C 432 175.678 175.678 177.571 -1.893 17741 2332 1 4 . 1 1 102 102 HIS CA C 432 56.571 56.571 58.313 -1.742 17741 2333 1 4 . 1 1 102 102 HIS CB C 432 29.352 29.352 29.968 -0.616 17741 2334 1 4 . 1 1 102 102 HIS H H 432 8.166 8.166 8.390 -0.224 17741 2335 1 4 . 1 1 103 103 LEU N N 433 122.228 122.228 117.881 4.347 17741 2336 1 4 . 1 1 103 103 LEU HA H 433 4.176 4.176 4.133 0.043 17741 2337 1 4 . 1 1 103 103 LEU C C 433 177.904 177.904 178.897 -0.993 17741 2338 1 4 . 1 1 103 103 LEU CA C 433 56.237 56.237 57.105 -0.868 17741 2339 1 4 . 1 1 103 103 LEU CB C 433 42.305 42.305 41.889 0.416 17741 2340 1 4 . 1 1 103 103 LEU H H 433 8.072 8.072 7.414 0.658 17741 2341 1 4 . 1 1 104 104 GLU N N 434 119.413 119.413 117.334 2.079 17741 2342 1 4 . 1 1 104 104 GLU HA H 434 4.309 4.309 4.401 -0.092 17741 2343 1 4 . 1 1 104 104 GLU C C 434 176.560 176.560 177.266 -0.706 17741 2344 1 4 . 1 1 104 104 GLU CA C 434 57.098 57.098 56.999 0.099 17741 2345 1 4 . 1 1 104 104 GLU CB C 434 30.301 30.301 28.864 1.437 17741 2346 1 4 . 1 1 104 104 GLU H H 434 8.331 8.331 8.139 0.192 17741 2347 1 4 . 1 1 105 105 SER N N 435 115.859 115.859 113.256 2.603 17741 2348 1 4 . 1 1 105 105 SER HA H 435 4.443 4.443 4.427 0.016 17741 2349 1 4 . 1 1 105 105 SER C C 435 173.630 173.630 174.503 -0.873 17741 2350 1 4 . 1 1 105 105 SER CA C 435 58.591 58.591 58.907 -0.316 17741 2351 1 4 . 1 1 105 105 SER CB C 435 64.066 64.066 63.537 0.529 17741 2352 1 4 . 1 1 105 105 SER H H 435 7.976 7.976 7.406 0.570 17741 2353 1 5 . 1 1 5 5 ARG N N 335 123.531 123.531 124.301 -0.770 17741 2354 1 5 . 1 1 5 5 ARG HA H 335 4.411 4.411 4.523 -0.112 17741 2355 1 5 . 1 1 5 5 ARG C C 335 176.473 176.473 175.048 1.425 17741 2356 1 5 . 1 1 5 5 ARG CA C 335 56.571 56.571 54.689 1.882 17741 2357 1 5 . 1 1 5 5 ARG CB C 335 31.352 31.352 32.519 -1.167 17741 2358 1 5 . 1 1 5 5 ARG H H 335 9.347 9.347 8.492 0.855 17741 2359 1 5 . 1 1 6 6 LEU N N 336 121.545 121.545 122.425 -0.880 17741 2360 1 5 . 1 1 6 6 LEU HA H 336 4.293 4.293 4.448 -0.155 17741 2361 1 5 . 1 1 6 6 LEU C C 336 178.837 178.837 177.884 0.953 17741 2362 1 5 . 1 1 6 6 LEU CA C 336 54.652 54.652 54.470 0.182 17741 2363 1 5 . 1 1 6 6 LEU CB C 336 43.365 43.365 42.188 1.177 17741 2364 1 5 . 1 1 6 6 LEU H H 336 8.556 8.556 8.472 0.084 17741 2365 1 5 . 1 1 7 7 LEU HA H 337 3.441 3.441 2.856 0.585 17741 2366 1 5 . 1 1 7 7 LEU C C 337 177.908 177.908 178.143 -0.235 17741 2367 1 5 . 1 1 7 7 LEU CA C 337 58.771 58.771 58.466 0.305 17741 2368 1 5 . 1 1 7 7 LEU CB C 337 40.192 40.192 41.657 -1.465 17741 2369 1 5 . 1 1 8 8 TRP N N 338 114.624 114.624 117.484 -2.860 17741 2370 1 5 . 1 1 8 8 TRP HA H 338 3.785 3.785 4.279 -0.494 17741 2371 1 5 . 1 1 8 8 TRP C C 338 175.318 175.318 177.797 -2.479 17741 2372 1 5 . 1 1 8 8 TRP CA C 338 59.891 59.891 59.869 0.022 17741 2373 1 5 . 1 1 8 8 TRP CB C 338 28.359 28.359 27.950 0.409 17741 2374 1 5 . 1 1 8 8 TRP H H 338 7.515 7.515 7.397 0.118 17741 2375 1 5 . 1 1 9 9 ASP HA H 339 3.813 3.813 4.243 -0.430 17741 2376 1 5 . 1 1 9 9 ASP C C 339 177.355 177.355 177.882 -0.527 17741 2377 1 5 . 1 1 9 9 ASP CA C 339 56.291 56.291 56.974 -0.683 17741 2378 1 5 . 1 1 9 9 ASP CB C 339 41.591 41.591 40.037 1.554 17741 2379 1 5 . 1 1 10 10 TYR N N 340 120.906 120.906 121.131 -0.225 17741 2380 1 5 . 1 1 10 10 TYR HA H 340 3.897 3.897 4.036 -0.139 17741 2381 1 5 . 1 1 10 10 TYR C C 340 177.011 177.011 177.573 -0.562 17741 2382 1 5 . 1 1 10 10 TYR CA C 340 61.913 61.913 60.997 0.916 17741 2383 1 5 . 1 1 10 10 TYR CB C 340 39.482 39.482 38.329 1.153 17741 2384 1 5 . 1 1 10 10 TYR H H 340 8.005 8.005 8.031 -0.026 17741 2385 1 5 . 1 1 11 11 VAL N N 341 115.016 115.016 117.986 -2.970 17741 2386 1 5 . 1 1 11 11 VAL HA H 341 2.992 2.992 3.114 -0.122 17741 2387 1 5 . 1 1 11 11 VAL C C 341 176.751 176.751 177.017 -0.266 17741 2388 1 5 . 1 1 11 11 VAL CA C 341 66.910 66.910 66.300 0.610 17741 2389 1 5 . 1 1 11 11 VAL CB C 341 30.968 30.968 30.896 0.072 17741 2390 1 5 . 1 1 11 11 VAL H H 341 8.287 8.287 7.971 0.316 17741 2391 1 5 . 1 1 12 12 TYR N N 342 119.030 119.030 119.603 -0.573 17741 2392 1 5 . 1 1 12 12 TYR HA H 342 3.641 3.641 3.853 -0.212 17741 2393 1 5 . 1 1 12 12 TYR C C 342 178.659 178.659 177.855 0.804 17741 2394 1 5 . 1 1 12 12 TYR CA C 342 63.010 63.010 62.377 0.633 17741 2395 1 5 . 1 1 12 12 TYR CB C 342 38.212 38.212 37.479 0.733 17741 2396 1 5 . 1 1 12 12 TYR H H 342 7.673 7.673 7.885 -0.212 17741 2397 1 5 . 1 1 13 13 GLN N N 343 119.113 119.113 119.247 -0.134 17741 2398 1 5 . 1 1 13 13 GLN HA H 343 3.828 3.828 4.152 -0.325 17741 2399 1 5 . 1 1 13 13 GLN C C 343 179.955 179.955 178.291 1.664 17741 2400 1 5 . 1 1 13 13 GLN CA C 343 58.871 58.871 58.231 0.640 17741 2401 1 5 . 1 1 13 13 GLN CB C 343 27.514 27.514 28.090 -0.576 17741 2402 1 5 . 1 1 13 13 GLN H H 343 8.161 8.161 7.625 0.536 17741 2403 1 5 . 1 1 14 14 LEU N N 344 121.401 121.401 119.899 1.502 17741 2404 1 5 . 1 1 14 14 LEU HA H 344 3.611 3.611 4.002 -0.391 17741 2405 1 5 . 1 1 14 14 LEU C C 344 179.789 179.789 178.504 1.285 17741 2406 1 5 . 1 1 14 14 LEU CA C 344 58.043 58.043 56.803 1.240 17741 2407 1 5 . 1 1 14 14 LEU CB C 344 41.598 41.598 41.333 0.265 17741 2408 1 5 . 1 1 14 14 LEU H H 344 7.825 7.825 7.424 0.401 17741 2409 1 5 . 1 1 15 15 LEU N N 345 116.853 116.853 116.723 0.130 17741 2410 1 5 . 1 1 15 15 LEU HA H 345 3.504 3.504 3.903 -0.399 17741 2411 1 5 . 1 1 15 15 LEU C C 345 178.149 178.149 178.763 -0.614 17741 2412 1 5 . 1 1 15 15 LEU CA C 345 56.473 56.473 56.370 0.103 17741 2413 1 5 . 1 1 15 15 LEU CB C 345 41.322 41.322 40.870 0.452 17741 2414 1 5 . 1 1 15 15 LEU H H 345 7.503 7.503 8.194 -0.691 17741 2415 1 5 . 1 1 16 16 SER N N 346 112.491 112.491 112.143 0.348 17741 2416 1 5 . 1 1 16 16 SER HA H 346 4.522 4.522 4.563 -0.041 17741 2417 1 5 . 1 1 16 16 SER C C 346 172.441 172.441 174.993 -2.552 17741 2418 1 5 . 1 1 16 16 SER CA C 346 58.859 58.859 59.539 -0.680 17741 2419 1 5 . 1 1 16 16 SER CB C 346 63.987 63.987 63.917 0.070 17741 2420 1 5 . 1 1 16 16 SER H H 346 7.277 7.277 7.595 -0.318 17741 2421 1 5 . 1 1 17 17 ASP N N 347 122.161 122.161 122.705 -0.544 17741 2422 1 5 . 1 1 17 17 ASP HA H 347 4.966 4.966 4.812 0.154 17741 2423 1 5 . 1 1 17 17 ASP C C 347 175.692 175.692 176.242 -0.550 17741 2424 1 5 . 1 1 17 17 ASP CA C 347 52.805 52.805 53.721 -0.916 17741 2425 1 5 . 1 1 17 17 ASP CB C 347 43.392 43.392 42.874 0.518 17741 2426 1 5 . 1 1 17 17 ASP H H 347 7.345 7.345 7.870 -0.525 17741 2427 1 5 . 1 1 18 18 SER N N 348 120.164 120.164 122.898 -2.734 17741 2428 1 5 . 1 1 18 18 SER HA H 348 4.356 4.356 4.283 0.073 17741 2429 1 5 . 1 1 18 18 SER C C 348 176.200 176.200 176.170 0.030 17741 2430 1 5 . 1 1 18 18 SER CA C 348 61.207 61.207 59.833 1.374 17741 2431 1 5 . 1 1 18 18 SER CB C 348 63.226 63.226 63.219 0.007 17741 2432 1 5 . 1 1 18 18 SER H H 348 8.686 8.686 8.938 -0.252 17741 2433 1 5 . 1 1 19 19 ARG N N 349 122.701 122.701 121.714 0.987 17741 2434 1 5 . 1 1 19 19 ARG HA H 349 4.105 4.105 3.996 0.109 17741 2435 1 5 . 1 1 19 19 ARG C C 349 178.120 178.120 177.155 0.965 17741 2436 1 5 . 1 1 19 19 ARG CA C 349 58.604 58.604 58.106 0.498 17741 2437 1 5 . 1 1 19 19 ARG CB C 349 29.854 29.854 29.545 0.309 17741 2438 1 5 . 1 1 19 19 ARG H H 349 8.597 8.597 8.115 0.482 17741 2439 1 5 . 1 1 20 20 TYR N N 350 116.257 116.257 116.590 -0.333 17741 2440 1 5 . 1 1 20 20 TYR HA H 350 4.884 4.884 4.629 0.255 17741 2441 1 5 . 1 1 20 20 TYR C C 350 176.977 176.977 175.997 0.980 17741 2442 1 5 . 1 1 20 20 TYR CA C 350 58.758 58.758 56.710 2.048 17741 2443 1 5 . 1 1 20 20 TYR CB C 350 37.602 37.602 38.658 -1.056 17741 2444 1 5 . 1 1 20 20 TYR H H 350 8.285 8.285 7.573 0.712 17741 2445 1 5 . 1 1 21 21 GLU N N 351 120.807 120.807 120.341 0.466 17741 2446 1 5 . 1 1 21 21 GLU HA H 351 4.454 4.454 4.457 -0.003 17741 2447 1 5 . 1 1 21 21 GLU C C 351 176.277 176.277 176.834 -0.557 17741 2448 1 5 . 1 1 21 21 GLU CA C 351 59.135 59.135 58.095 1.040 17741 2449 1 5 . 1 1 21 21 GLU CB C 351 29.674 29.674 28.977 0.697 17741 2450 1 5 . 1 1 21 21 GLU H H 351 7.527 7.527 7.611 -0.084 17741 2451 1 5 . 1 1 22 22 ASN N N 352 114.501 114.501 115.635 -1.134 17741 2452 1 5 . 1 1 22 22 ASN HA H 352 4.471 4.471 4.551 -0.080 17741 2453 1 5 . 1 1 22 22 ASN C C 352 174.426 174.426 175.817 -1.391 17741 2454 1 5 . 1 1 22 22 ASN CA C 352 54.002 54.002 54.584 -0.582 17741 2455 1 5 . 1 1 22 22 ASN CB C 352 36.943 36.943 38.553 -1.610 17741 2456 1 5 . 1 1 22 22 ASN H H 352 8.647 8.647 7.949 0.699 17741 2457 1 5 . 1 1 23 23 PHE N N 353 115.528 115.528 115.832 -0.304 17741 2458 1 5 . 1 1 23 23 PHE HA H 353 4.751 4.751 4.748 0.003 17741 2459 1 5 . 1 1 23 23 PHE C C 353 176.374 176.374 175.705 0.669 17741 2460 1 5 . 1 1 23 23 PHE CA C 353 59.617 59.617 58.098 1.519 17741 2461 1 5 . 1 1 23 23 PHE CB C 353 41.431 41.431 41.009 0.422 17741 2462 1 5 . 1 1 23 23 PHE H H 353 8.578 8.578 7.723 0.855 17741 2463 1 5 . 1 1 24 24 ILE N N 354 120.520 120.520 118.374 2.146 17741 2464 1 5 . 1 1 24 24 ILE HA H 354 5.063 5.063 4.987 0.076 17741 2465 1 5 . 1 1 24 24 ILE C C 354 170.331 170.331 172.915 -2.584 17741 2466 1 5 . 1 1 24 24 ILE CA C 354 59.835 59.835 60.634 -0.799 17741 2467 1 5 . 1 1 24 24 ILE CB C 354 40.605 40.605 41.855 -1.250 17741 2468 1 5 . 1 1 24 24 ILE H H 354 8.436 8.436 8.482 -0.046 17741 2469 1 5 . 1 1 25 25 ARG N N 355 121.401 121.401 120.509 0.892 17741 2470 1 5 . 1 1 25 25 ARG HA H 355 4.916 4.916 4.778 0.138 17741 2471 1 5 . 1 1 25 25 ARG C C 355 175.099 175.099 173.978 1.121 17741 2472 1 5 . 1 1 25 25 ARG CA C 355 54.461 54.461 55.018 -0.557 17741 2473 1 5 . 1 1 25 25 ARG CB C 355 33.662 33.662 33.517 0.145 17741 2474 1 5 . 1 1 25 25 ARG H H 355 8.668 8.668 8.743 -0.075 17741 2475 1 5 . 1 1 26 26 TRP N N 356 122.022 122.022 122.966 -0.944 17741 2476 1 5 . 1 1 26 26 TRP HA H 356 4.894 4.894 4.899 -0.005 17741 2477 1 5 . 1 1 26 26 TRP C C 356 176.606 176.606 176.906 -0.300 17741 2478 1 5 . 1 1 26 26 TRP CA C 356 57.835 57.835 57.652 0.183 17741 2479 1 5 . 1 1 26 26 TRP CB C 356 30.564 30.564 29.721 0.842 17741 2480 1 5 . 1 1 26 26 TRP H H 356 9.149 9.149 8.942 0.207 17741 2481 1 5 . 1 1 27 27 GLU N N 357 125.415 125.415 123.681 1.734 17741 2482 1 5 . 1 1 27 27 GLU HA H 357 4.686 4.686 4.519 0.167 17741 2483 1 5 . 1 1 27 27 GLU C C 357 176.709 176.709 176.623 0.086 17741 2484 1 5 . 1 1 27 27 GLU CA C 357 56.939 56.939 57.681 -0.742 17741 2485 1 5 . 1 1 27 27 GLU CB C 357 31.545 31.545 31.015 0.530 17741 2486 1 5 . 1 1 27 27 GLU H H 357 9.524 9.524 9.015 0.509 17741 2487 1 5 . 1 1 28 28 ASP N N 358 116.214 116.214 121.420 -5.206 17741 2488 1 5 . 1 1 28 28 ASP HA H 358 4.759 4.759 4.953 -0.194 17741 2489 1 5 . 1 1 28 28 ASP C C 358 176.124 176.124 175.844 0.280 17741 2490 1 5 . 1 1 28 28 ASP CA C 358 53.481 53.481 53.493 -0.012 17741 2491 1 5 . 1 1 28 28 ASP CB C 358 41.921 41.921 42.052 -0.131 17741 2492 1 5 . 1 1 28 28 ASP H H 358 7.828 7.828 8.368 -0.540 17741 2493 1 5 . 1 1 29 29 LYS N N 359 127.750 127.750 123.963 3.787 17741 2494 1 5 . 1 1 29 29 LYS HA H 359 3.162 3.162 2.903 0.259 17741 2495 1 5 . 1 1 29 29 LYS C C 359 178.683 178.683 177.768 0.915 17741 2496 1 5 . 1 1 29 29 LYS CA C 359 60.173 60.173 59.855 0.318 17741 2497 1 5 . 1 1 29 29 LYS CB C 359 32.728 32.728 32.185 0.542 17741 2498 1 5 . 1 1 29 29 LYS H H 359 9.221 9.221 8.606 0.615 17741 2499 1 5 . 1 1 30 30 GLU N N 360 119.608 119.608 117.195 2.413 17741 2500 1 5 . 1 1 30 30 GLU HA H 360 3.923 3.923 4.016 -0.093 17741 2501 1 5 . 1 1 30 30 GLU C C 360 178.598 178.598 177.282 1.316 17741 2502 1 5 . 1 1 30 30 GLU CA C 360 59.512 59.512 58.573 0.939 17741 2503 1 5 . 1 1 30 30 GLU CB C 360 29.188 29.188 29.154 0.034 17741 2504 1 5 . 1 1 30 30 GLU H H 360 8.343 8.343 8.627 -0.284 17741 2505 1 5 . 1 1 31 31 SER N N 361 113.313 113.313 113.126 0.187 17741 2506 1 5 . 1 1 31 31 SER HA H 361 4.485 4.485 4.483 0.002 17741 2507 1 5 . 1 1 31 31 SER C C 361 172.284 172.284 173.824 -1.540 17741 2508 1 5 . 1 1 31 31 SER CA C 361 58.745 58.745 58.144 0.601 17741 2509 1 5 . 1 1 31 31 SER CB C 361 63.728 63.728 63.468 0.260 17741 2510 1 5 . 1 1 31 31 SER H H 361 7.466 7.466 7.519 -0.053 17741 2511 1 5 . 1 1 32 32 LYS N N 362 115.197 115.197 118.130 -2.933 17741 2512 1 5 . 1 1 32 32 LYS HA H 362 3.894 3.894 3.754 0.140 17741 2513 1 5 . 1 1 32 32 LYS C C 362 175.489 175.489 175.136 0.353 17741 2514 1 5 . 1 1 32 32 LYS CA C 362 57.641 57.641 57.286 0.355 17741 2515 1 5 . 1 1 32 32 LYS CB C 362 29.811 29.811 30.066 -0.255 17741 2516 1 5 . 1 1 32 32 LYS H H 362 7.741 7.741 7.562 0.179 17741 2517 1 5 . 1 1 33 33 ILE N N 363 118.359 118.359 119.414 -1.055 17741 2518 1 5 . 1 1 33 33 ILE HA H 363 5.356 5.356 4.964 0.392 17741 2519 1 5 . 1 1 33 33 ILE C C 363 177.019 177.019 175.696 1.323 17741 2520 1 5 . 1 1 33 33 ILE CA C 363 60.455 60.455 61.103 -0.648 17741 2521 1 5 . 1 1 33 33 ILE CB C 363 40.081 40.081 39.568 0.513 17741 2522 1 5 . 1 1 33 33 ILE H H 363 8.268 8.268 8.297 -0.029 17741 2523 1 5 . 1 1 34 34 PHE N N 364 128.287 128.287 125.424 2.863 17741 2524 1 5 . 1 1 34 34 PHE HA H 364 5.576 5.576 5.673 -0.097 17741 2525 1 5 . 1 1 34 34 PHE C C 364 170.447 170.447 172.933 -2.486 17741 2526 1 5 . 1 1 34 34 PHE CA C 364 55.128 55.128 55.468 -0.341 17741 2527 1 5 . 1 1 34 34 PHE CB C 364 44.010 44.010 42.992 1.018 17741 2528 1 5 . 1 1 34 34 PHE H H 364 9.962 9.962 9.456 0.506 17741 2529 1 5 . 1 1 35 35 ARG N N 365 120.900 120.900 122.311 -1.411 17741 2530 1 5 . 1 1 35 35 ARG HA H 365 5.486 5.486 5.190 0.296 17741 2531 1 5 . 1 1 35 35 ARG C C 365 176.462 176.462 175.618 0.844 17741 2532 1 5 . 1 1 35 35 ARG CA C 365 53.609 53.609 53.751 -0.142 17741 2533 1 5 . 1 1 35 35 ARG CB C 365 36.518 36.518 33.043 3.475 17741 2534 1 5 . 1 1 35 35 ARG H H 365 9.427 9.427 9.313 0.114 17741 2535 1 5 . 1 1 36 36 ILE N N 366 125.534 125.534 128.016 -2.482 17741 2536 1 5 . 1 1 36 36 ILE HA H 366 4.209 4.209 4.151 0.058 17741 2537 1 5 . 1 1 36 36 ILE C C 366 173.899 173.899 175.623 -1.724 17741 2538 1 5 . 1 1 36 36 ILE CA C 366 63.033 63.033 62.898 0.135 17741 2539 1 5 . 1 1 36 36 ILE CB C 366 37.889 37.889 37.708 0.181 17741 2540 1 5 . 1 1 36 36 ILE H H 366 8.643 8.643 9.036 -0.393 17741 2541 1 5 . 1 1 37 37 VAL N N 367 129.194 129.194 127.946 1.248 17741 2542 1 5 . 1 1 37 37 VAL HA H 367 3.679 3.679 3.968 -0.289 17741 2543 1 5 . 1 1 37 37 VAL C C 367 175.919 175.919 176.206 -0.287 17741 2544 1 5 . 1 1 37 37 VAL CA C 367 64.068 64.068 63.662 0.406 17741 2545 1 5 . 1 1 37 37 VAL CB C 367 32.884 32.884 32.456 0.428 17741 2546 1 5 . 1 1 37 37 VAL H H 367 7.841 7.841 8.449 -0.608 17741 2547 1 5 . 1 1 38 38 ASP N N 368 114.969 114.969 117.205 -2.236 17741 2548 1 5 . 1 1 38 38 ASP HA H 368 5.222 5.222 5.098 0.124 17741 2549 1 5 . 1 1 38 38 ASP C C 368 173.227 173.227 174.551 -1.324 17741 2550 1 5 . 1 1 38 38 ASP CA C 368 50.238 50.238 51.254 -1.016 17741 2551 1 5 . 1 1 38 38 ASP CB C 368 42.181 42.181 42.344 -0.163 17741 2552 1 5 . 1 1 38 38 ASP H H 368 7.316 7.316 8.022 -0.706 17741 2553 1 5 . 1 1 39 39 PRO HA H 369 3.809 3.809 4.118 -0.309 17741 2554 1 5 . 1 1 39 39 PRO C C 369 177.958 177.958 178.348 -0.390 17741 2555 1 5 . 1 1 39 39 PRO CA C 369 65.612 65.612 65.273 0.339 17741 2556 1 5 . 1 1 39 39 PRO CB C 369 31.068 31.068 31.777 -0.709 17741 2557 1 5 . 1 1 40 40 ASN N N 370 115.480 115.480 117.292 -1.812 17741 2558 1 5 . 1 1 40 40 ASN HA H 370 4.604 4.604 4.474 0.130 17741 2559 1 5 . 1 1 40 40 ASN C C 370 178.566 178.566 177.496 1.070 17741 2560 1 5 . 1 1 40 40 ASN CA C 370 56.471 56.471 56.651 -0.180 17741 2561 1 5 . 1 1 40 40 ASN CB C 370 38.068 38.068 38.201 -0.133 17741 2562 1 5 . 1 1 40 40 ASN H H 370 8.094 8.094 8.216 -0.122 17741 2563 1 5 . 1 1 41 41 GLY N N 371 111.371 111.371 107.253 4.118 17741 2564 1 5 . 1 1 41 41 GLY C C 371 176.018 176.018 175.626 0.392 17741 2565 1 5 . 1 1 41 41 GLY CA C 371 47.862 47.862 46.079 1.783 17741 2566 1 5 . 1 1 41 41 GLY H H 371 8.632 8.632 7.616 1.016 17741 2567 1 5 . 1 1 42 42 LEU N N 372 122.901 122.901 122.315 0.586 17741 2568 1 5 . 1 1 42 42 LEU HA H 372 4.035 4.035 4.189 -0.154 17741 2569 1 5 . 1 1 42 42 LEU C C 372 177.704 177.704 178.598 -0.894 17741 2570 1 5 . 1 1 42 42 LEU CA C 372 57.913 57.913 56.915 0.998 17741 2571 1 5 . 1 1 42 42 LEU CB C 372 42.136 42.136 41.275 0.861 17741 2572 1 5 . 1 1 42 42 LEU H H 372 8.876 8.876 7.951 0.925 17741 2573 1 5 . 1 1 43 43 ALA N N 373 120.103 120.103 122.073 -1.970 17741 2574 1 5 . 1 1 43 43 ALA HA H 373 4.462 4.462 4.123 0.339 17741 2575 1 5 . 1 1 43 43 ALA C C 373 179.091 179.091 179.217 -0.126 17741 2576 1 5 . 1 1 43 43 ALA CA C 373 55.441 55.441 55.385 0.056 17741 2577 1 5 . 1 1 43 43 ALA CB C 373 18.098 18.098 18.564 -0.466 17741 2578 1 5 . 1 1 43 43 ALA H H 373 8.062 8.062 8.556 -0.494 17741 2579 1 5 . 1 1 44 44 ARG N N 374 118.071 118.071 118.255 -0.184 17741 2580 1 5 . 1 1 44 44 ARG HA H 374 4.117 4.117 4.080 0.037 17741 2581 1 5 . 1 1 44 44 ARG C C 374 179.414 179.414 178.264 1.150 17741 2582 1 5 . 1 1 44 44 ARG CA C 374 59.297 59.297 58.958 0.339 17741 2583 1 5 . 1 1 44 44 ARG CB C 374 30.069 30.069 29.676 0.393 17741 2584 1 5 . 1 1 44 44 ARG H H 374 7.725 7.725 7.638 0.087 17741 2585 1 5 . 1 1 45 45 LEU N N 375 121.601 121.601 121.097 0.504 17741 2586 1 5 . 1 1 45 45 LEU HA H 375 4.015 4.015 4.214 -0.199 17741 2587 1 5 . 1 1 45 45 LEU C C 375 180.087 180.087 178.959 1.128 17741 2588 1 5 . 1 1 45 45 LEU CA C 375 58.553 58.553 57.506 1.047 17741 2589 1 5 . 1 1 45 45 LEU CB C 375 41.495 41.495 41.359 0.136 17741 2590 1 5 . 1 1 45 45 LEU H H 375 7.877 7.877 7.264 0.613 17741 2591 1 5 . 1 1 46 46 TRP N N 376 121.543 121.543 121.022 0.521 17741 2592 1 5 . 1 1 46 46 TRP HA H 376 4.333 4.333 3.964 0.369 17741 2593 1 5 . 1 1 46 46 TRP C C 376 177.572 177.572 178.497 -0.925 17741 2594 1 5 . 1 1 46 46 TRP CA C 376 59.091 59.091 59.196 -0.104 17741 2595 1 5 . 1 1 46 46 TRP CB C 376 30.305 30.305 29.781 0.524 17741 2596 1 5 . 1 1 46 46 TRP H H 376 8.615 8.615 8.275 0.340 17741 2597 1 5 . 1 1 47 47 GLY N N 377 105.532 105.532 105.742 -0.210 17741 2598 1 5 . 1 1 47 47 GLY C C 377 176.057 176.057 176.033 0.024 17741 2599 1 5 . 1 1 47 47 GLY CA C 377 48.035 48.035 46.736 1.299 17741 2600 1 5 . 1 1 47 47 GLY H H 377 8.877 8.877 8.862 0.015 17741 2601 1 5 . 1 1 48 48 ASN N N 378 119.996 119.996 120.101 -0.105 17741 2602 1 5 . 1 1 48 48 ASN HA H 378 4.403 4.403 4.475 -0.072 17741 2603 1 5 . 1 1 48 48 ASN C C 378 178.112 178.112 176.719 1.393 17741 2604 1 5 . 1 1 48 48 ASN CA C 378 56.229 56.229 55.923 0.306 17741 2605 1 5 . 1 1 48 48 ASN CB C 378 38.272 38.272 38.638 -0.366 17741 2606 1 5 . 1 1 48 48 ASN H H 378 8.176 8.176 8.060 0.116 17741 2607 1 5 . 1 1 49 49 HIS N N 379 121.459 121.459 118.175 3.284 17741 2608 1 5 . 1 1 49 49 HIS HA H 379 4.129 4.129 4.328 -0.199 17741 2609 1 5 . 1 1 49 49 HIS C C 379 175.858 175.858 175.753 0.105 17741 2610 1 5 . 1 1 49 49 HIS CA C 379 59.234 59.234 58.575 0.659 17741 2611 1 5 . 1 1 49 49 HIS CB C 379 29.473 29.473 30.080 -0.607 17741 2612 1 5 . 1 1 49 49 HIS H H 379 8.138 8.138 8.126 0.012 17741 2613 1 5 . 1 1 50 50 LYS N N 380 115.130 115.130 115.410 -0.280 17741 2614 1 5 . 1 1 50 50 LYS HA H 380 3.797 3.797 4.031 -0.234 17741 2615 1 5 . 1 1 50 50 LYS C C 380 175.468 175.468 175.280 0.188 17741 2616 1 5 . 1 1 50 50 LYS CA C 380 54.085 54.085 55.585 -1.500 17741 2617 1 5 . 1 1 50 50 LYS CB C 380 30.887 30.887 32.802 -1.915 17741 2618 1 5 . 1 1 50 50 LYS H H 380 7.552 7.552 7.537 0.015 17741 2619 1 5 . 1 1 51 51 ASN N N 381 116.632 116.632 116.203 0.429 17741 2620 1 5 . 1 1 51 51 ASN HA H 381 4.264 4.264 4.297 -0.033 17741 2621 1 5 . 1 1 51 51 ASN C C 381 174.332 174.332 173.987 0.345 17741 2622 1 5 . 1 1 51 51 ASN CA C 381 54.189 54.189 53.927 0.262 17741 2623 1 5 . 1 1 51 51 ASN CB C 381 37.343 37.343 36.993 0.350 17741 2624 1 5 . 1 1 51 51 ASN H H 381 7.715 7.715 7.941 -0.226 17741 2625 1 5 . 1 1 52 52 ARG N N 382 117.701 117.701 118.180 -0.479 17741 2626 1 5 . 1 1 52 52 ARG HA H 382 4.583 4.583 4.681 -0.098 17741 2627 1 5 . 1 1 52 52 ARG C C 382 176.172 176.172 175.855 0.317 17741 2628 1 5 . 1 1 52 52 ARG CA C 382 54.167 54.167 54.046 0.121 17741 2629 1 5 . 1 1 52 52 ARG CB C 382 31.882 31.882 31.876 0.006 17741 2630 1 5 . 1 1 52 52 ARG H H 382 8.465 8.465 7.695 0.770 17741 2631 1 5 . 1 1 53 53 THR N N 383 114.338 114.338 118.629 -4.291 17741 2632 1 5 . 1 1 53 53 THR HA H 383 4.208 4.208 4.232 -0.024 17741 2633 1 5 . 1 1 53 53 THR C C 383 174.496 174.496 175.241 -0.745 17741 2634 1 5 . 1 1 53 53 THR CA C 383 62.345 62.345 64.100 -1.755 17741 2635 1 5 . 1 1 53 53 THR CB C 383 69.699 69.699 69.110 0.589 17741 2636 1 5 . 1 1 53 53 THR H H 383 8.274 8.274 8.534 -0.261 17741 2637 1 5 . 1 1 54 54 ASN N N 384 119.031 119.031 118.236 0.795 17741 2638 1 5 . 1 1 54 54 ASN HA H 384 4.607 4.607 4.685 -0.078 17741 2639 1 5 . 1 1 54 54 ASN C C 384 174.829 174.829 174.483 0.346 17741 2640 1 5 . 1 1 54 54 ASN CA C 384 53.155 53.155 53.301 -0.146 17741 2641 1 5 . 1 1 54 54 ASN CB C 384 37.871 37.871 38.473 -0.602 17741 2642 1 5 . 1 1 54 54 ASN H H 384 8.457 8.457 8.266 0.191 17741 2643 1 5 . 1 1 55 55 MET N N 385 119.922 119.922 118.451 1.471 17741 2644 1 5 . 1 1 55 55 MET HA H 385 4.558 4.558 4.324 0.234 17741 2645 1 5 . 1 1 55 55 MET C C 385 174.921 174.921 174.692 0.229 17741 2646 1 5 . 1 1 55 55 MET CA C 385 55.271 55.271 56.625 -1.354 17741 2647 1 5 . 1 1 55 55 MET CB C 385 30.991 30.991 33.019 -2.028 17741 2648 1 5 . 1 1 55 55 MET H H 385 8.073 8.073 7.574 0.499 17741 2649 1 5 . 1 1 56 56 THR N N 386 113.771 113.771 112.040 1.731 17741 2650 1 5 . 1 1 56 56 THR HA H 386 4.693 4.693 4.544 0.149 17741 2651 1 5 . 1 1 56 56 THR C C 386 175.459 175.459 174.141 1.318 17741 2652 1 5 . 1 1 56 56 THR CA C 386 59.043 59.043 60.421 -1.378 17741 2653 1 5 . 1 1 56 56 THR CB C 386 72.393 72.393 71.799 0.594 17741 2654 1 5 . 1 1 56 56 THR H H 386 7.076 7.076 7.761 -0.685 17741 2655 1 5 . 1 1 57 57 TYR N N 387 123.521 123.521 122.221 1.300 17741 2656 1 5 . 1 1 57 57 TYR HA H 387 4.127 4.127 4.215 -0.088 17741 2657 1 5 . 1 1 57 57 TYR C C 387 177.432 177.432 177.179 0.253 17741 2658 1 5 . 1 1 57 57 TYR CA C 387 62.527 62.527 61.215 1.312 17741 2659 1 5 . 1 1 57 57 TYR CB C 387 37.289 37.289 38.767 -1.478 17741 2660 1 5 . 1 1 57 57 TYR H H 387 9.726 9.726 8.856 0.870 17741 2661 1 5 . 1 1 58 58 GLU N N 388 121.083 121.083 119.645 1.438 17741 2662 1 5 . 1 1 58 58 GLU HA H 388 3.825 3.825 3.813 0.012 17741 2663 1 5 . 1 1 58 58 GLU C C 388 179.225 179.225 178.954 0.271 17741 2664 1 5 . 1 1 58 58 GLU CA C 388 60.476 60.476 60.360 0.116 17741 2665 1 5 . 1 1 58 58 GLU CB C 388 29.087 29.087 28.868 0.219 17741 2666 1 5 . 1 1 58 58 GLU H H 388 8.843 8.843 8.880 -0.037 17741 2667 1 5 . 1 1 59 59 LYS N N 389 119.209 119.209 118.919 0.290 17741 2668 1 5 . 1 1 59 59 LYS HA H 389 3.971 3.971 4.024 -0.053 17741 2669 1 5 . 1 1 59 59 LYS C C 389 179.944 179.944 179.146 0.798 17741 2670 1 5 . 1 1 59 59 LYS CA C 389 59.897 59.897 58.819 1.078 17741 2671 1 5 . 1 1 59 59 LYS CB C 389 33.359 33.359 32.065 1.294 17741 2672 1 5 . 1 1 59 59 LYS H H 389 7.605 7.605 7.588 0.017 17741 2673 1 5 . 1 1 60 60 MET N N 390 122.401 122.401 120.246 2.155 17741 2674 1 5 . 1 1 60 60 MET HA H 390 3.944 3.944 3.890 0.054 17741 2675 1 5 . 1 1 60 60 MET C C 390 177.716 177.716 177.307 0.409 17741 2676 1 5 . 1 1 60 60 MET CA C 390 59.547 59.547 59.046 0.501 17741 2677 1 5 . 1 1 60 60 MET CB C 390 33.315 33.315 32.188 1.127 17741 2678 1 5 . 1 1 60 60 MET H H 390 8.229 8.229 7.426 0.803 17741 2679 1 5 . 1 1 61 61 SER N N 391 114.652 114.652 114.936 -0.284 17741 2680 1 5 . 1 1 61 61 SER HA H 391 3.771 3.771 3.789 -0.018 17741 2681 1 5 . 1 1 61 61 SER C C 391 176.449 176.449 176.015 0.434 17741 2682 1 5 . 1 1 61 61 SER CA C 391 61.554 61.554 62.009 -0.455 17741 2683 1 5 . 1 1 61 61 SER CB C 391 62.278 62.278 62.817 -0.539 17741 2684 1 5 . 1 1 61 61 SER H H 391 8.829 8.829 8.274 0.555 17741 2685 1 5 . 1 1 62 62 ARG N N 392 122.213 122.213 120.898 1.315 17741 2686 1 5 . 1 1 62 62 ARG HA H 392 3.945 3.945 3.908 0.037 17741 2687 1 5 . 1 1 62 62 ARG C C 392 178.600 178.600 178.044 0.556 17741 2688 1 5 . 1 1 62 62 ARG CA C 392 59.571 59.571 58.451 1.120 17741 2689 1 5 . 1 1 62 62 ARG CB C 392 29.914 29.914 28.852 1.062 17741 2690 1 5 . 1 1 62 62 ARG H H 392 7.413 7.413 8.196 -0.783 17741 2691 1 5 . 1 1 63 63 ALA N N 393 122.327 122.327 121.992 0.335 17741 2692 1 5 . 1 1 63 63 ALA HA H 393 4.157 4.157 3.794 0.363 17741 2693 1 5 . 1 1 63 63 ALA C C 393 180.147 180.147 178.891 1.256 17741 2694 1 5 . 1 1 63 63 ALA CA C 393 54.749 54.749 54.379 0.370 17741 2695 1 5 . 1 1 63 63 ALA CB C 393 18.529 18.529 18.165 0.364 17741 2696 1 5 . 1 1 63 63 ALA H H 393 7.256 7.256 7.182 0.074 17741 2697 1 5 . 1 1 64 64 LEU N N 394 117.582 117.582 118.249 -0.667 17741 2698 1 5 . 1 1 64 64 LEU HA H 394 3.769 3.769 3.413 0.356 17741 2699 1 5 . 1 1 64 64 LEU C C 394 178.139 178.139 178.682 -0.543 17741 2700 1 5 . 1 1 64 64 LEU CA C 394 58.012 58.012 57.324 0.688 17741 2701 1 5 . 1 1 64 64 LEU CB C 394 41.396 41.396 41.089 0.307 17741 2702 1 5 . 1 1 64 64 LEU H H 394 7.768 7.768 7.845 -0.077 17741 2703 1 5 . 1 1 65 65 ARG N N 395 116.204 116.204 115.864 0.340 17741 2704 1 5 . 1 1 65 65 ARG HA H 395 3.445 3.445 3.341 0.104 17741 2705 1 5 . 1 1 65 65 ARG C C 395 179.423 179.423 178.587 0.836 17741 2706 1 5 . 1 1 65 65 ARG CA C 395 58.829 58.829 58.123 0.706 17741 2707 1 5 . 1 1 65 65 ARG CB C 395 29.776 29.776 29.099 0.677 17741 2708 1 5 . 1 1 65 65 ARG H H 395 7.595 7.595 8.282 -0.687 17741 2709 1 5 . 1 1 66 66 HIS N N 396 118.573 118.573 118.978 -0.405 17741 2710 1 5 . 1 1 66 66 HIS HA H 396 4.401 4.401 4.338 0.063 17741 2711 1 5 . 1 1 66 66 HIS C C 396 177.218 177.218 177.814 -0.596 17741 2712 1 5 . 1 1 66 66 HIS CA C 396 58.821 58.821 58.981 -0.160 17741 2713 1 5 . 1 1 66 66 HIS CB C 396 29.753 29.753 29.828 -0.075 17741 2714 1 5 . 1 1 66 66 HIS H H 396 7.362 7.362 7.336 0.026 17741 2715 1 5 . 1 1 67 67 TYR N N 397 115.773 115.773 119.225 -3.452 17741 2716 1 5 . 1 1 67 67 TYR HA H 397 4.259 4.259 4.096 0.163 17741 2717 1 5 . 1 1 67 67 TYR C C 397 178.802 178.802 178.235 0.567 17741 2718 1 5 . 1 1 67 67 TYR CA C 397 60.329 60.329 59.669 0.660 17741 2719 1 5 . 1 1 67 67 TYR CB C 397 37.379 37.379 36.724 0.655 17741 2720 1 5 . 1 1 67 67 TYR H H 397 7.568 7.568 7.727 -0.159 17741 2721 1 5 . 1 1 68 68 TYR N N 398 121.825 121.825 118.508 3.317 17741 2722 1 5 . 1 1 68 68 TYR HA H 398 5.413 5.413 4.906 0.507 17741 2723 1 5 . 1 1 68 68 TYR C C 398 181.169 181.169 179.041 2.128 17741 2724 1 5 . 1 1 68 68 TYR CA C 398 57.775 57.775 58.891 -1.116 17741 2725 1 5 . 1 1 68 68 TYR CB C 398 36.972 36.972 37.315 -0.343 17741 2726 1 5 . 1 1 68 68 TYR H H 398 8.116 8.116 7.489 0.627 17741 2727 1 5 . 1 1 69 69 LYS N N 399 120.934 120.934 119.059 1.875 17741 2728 1 5 . 1 1 69 69 LYS HA H 399 4.127 4.127 4.159 -0.032 17741 2729 1 5 . 1 1 69 69 LYS C C 399 177.928 177.928 178.044 -0.116 17741 2730 1 5 . 1 1 69 69 LYS CA C 399 58.912 58.912 59.050 -0.138 17741 2731 1 5 . 1 1 69 69 LYS CB C 399 32.188 32.188 32.367 -0.179 17741 2732 1 5 . 1 1 69 69 LYS H H 399 7.771 7.771 7.651 0.120 17741 2733 1 5 . 1 1 70 70 LEU N N 400 116.022 116.022 117.540 -1.518 17741 2734 1 5 . 1 1 70 70 LEU HA H 400 4.291 4.291 4.309 -0.018 17741 2735 1 5 . 1 1 70 70 LEU C C 400 175.827 175.827 176.118 -0.291 17741 2736 1 5 . 1 1 70 70 LEU CA C 400 54.675 54.675 54.436 0.239 17741 2737 1 5 . 1 1 70 70 LEU CB C 400 43.081 43.081 40.965 2.116 17741 2738 1 5 . 1 1 70 70 LEU H H 400 7.144 7.144 7.600 -0.456 17741 2739 1 5 . 1 1 71 71 ASN N N 401 115.201 115.201 114.322 0.879 17741 2740 1 5 . 1 1 71 71 ASN HA H 401 4.352 4.352 4.405 -0.053 17741 2741 1 5 . 1 1 71 71 ASN C C 401 173.517 173.517 174.520 -1.003 17741 2742 1 5 . 1 1 71 71 ASN CA C 401 54.602 54.602 54.838 -0.236 17741 2743 1 5 . 1 1 71 71 ASN CB C 401 37.381 37.381 36.626 0.755 17741 2744 1 5 . 1 1 71 71 ASN H H 401 8.047 8.047 7.663 0.384 17741 2745 1 5 . 1 1 72 72 ILE N N 402 113.907 113.907 115.518 -1.611 17741 2746 1 5 . 1 1 72 72 ILE HA H 402 4.059 4.059 4.027 0.031 17741 2747 1 5 . 1 1 72 72 ILE C C 402 176.279 176.279 175.504 0.775 17741 2748 1 5 . 1 1 72 72 ILE CA C 402 63.797 63.797 62.493 1.304 17741 2749 1 5 . 1 1 72 72 ILE CB C 402 40.395 40.395 39.941 0.454 17741 2750 1 5 . 1 1 72 72 ILE H H 402 7.986 7.986 8.441 -0.455 17741 2751 1 5 . 1 1 73 73 ILE N N 403 116.766 116.766 115.698 1.068 17741 2752 1 5 . 1 1 73 73 ILE HA H 403 5.042 5.042 4.686 0.356 17741 2753 1 5 . 1 1 73 73 ILE C C 403 173.945 173.945 174.244 -0.299 17741 2754 1 5 . 1 1 73 73 ILE CA C 403 59.247 59.247 59.294 -0.047 17741 2755 1 5 . 1 1 73 73 ILE CB C 403 43.414 43.414 42.105 1.309 17741 2756 1 5 . 1 1 73 73 ILE H H 403 7.042 7.042 7.170 -0.128 17741 2757 1 5 . 1 1 74 74 ARG N N 404 123.256 123.256 121.523 1.733 17741 2758 1 5 . 1 1 74 74 ARG HA H 404 4.751 4.751 4.587 0.164 17741 2759 1 5 . 1 1 74 74 ARG C C 404 174.757 174.757 173.855 0.902 17741 2760 1 5 . 1 1 74 74 ARG CA C 404 54.274 54.274 54.531 -0.257 17741 2761 1 5 . 1 1 74 74 ARG CB C 404 34.492 34.492 33.441 1.051 17741 2762 1 5 . 1 1 74 74 ARG H H 404 8.931 8.931 9.175 -0.244 17741 2763 1 5 . 1 1 75 75 LYS N N 405 125.627 125.627 121.390 4.237 17741 2764 1 5 . 1 1 75 75 LYS HA H 405 4.076 4.076 4.336 -0.260 17741 2765 1 5 . 1 1 75 75 LYS C C 405 176.481 176.481 175.869 0.612 17741 2766 1 5 . 1 1 75 75 LYS CA C 405 56.446 56.446 54.148 2.298 17741 2767 1 5 . 1 1 75 75 LYS CB C 405 32.758 32.758 33.865 -1.107 17741 2768 1 5 . 1 1 75 75 LYS H H 405 8.294 8.294 8.221 0.073 17741 2769 1 5 . 1 1 76 76 GLU N N 406 128.187 128.187 124.660 3.527 17741 2770 1 5 . 1 1 76 76 GLU HA H 406 4.447 4.447 4.535 -0.088 17741 2771 1 5 . 1 1 76 76 GLU C C 406 174.401 174.401 175.002 -0.601 17741 2772 1 5 . 1 1 76 76 GLU CA C 406 53.751 53.751 53.555 0.196 17741 2773 1 5 . 1 1 76 76 GLU CB C 406 29.951 29.951 28.966 0.985 17741 2774 1 5 . 1 1 76 76 GLU H H 406 8.016 8.016 7.947 0.069 17741 2775 1 5 . 1 1 77 77 PRO HA H 407 4.288 4.288 4.278 0.010 17741 2776 1 5 . 1 1 77 77 PRO C C 407 177.654 177.654 177.429 0.225 17741 2777 1 5 . 1 1 77 77 PRO CA C 407 63.433 63.433 63.600 -0.167 17741 2778 1 5 . 1 1 77 77 PRO CB C 407 32.152 32.152 30.876 1.276 17741 2779 1 5 . 1 1 78 78 GLY N N 408 109.679 109.679 113.659 -3.980 17741 2780 1 5 . 1 1 78 78 GLY C C 408 173.976 173.976 174.356 -0.380 17741 2781 1 5 . 1 1 78 78 GLY CA C 408 45.539 45.539 44.790 0.749 17741 2782 1 5 . 1 1 78 78 GLY H H 408 8.514 8.514 8.686 -0.172 17741 2783 1 5 . 1 1 79 79 GLN N N 409 116.897 116.897 119.803 -2.906 17741 2784 1 5 . 1 1 79 79 GLN HA H 409 4.489 4.489 4.334 0.155 17741 2785 1 5 . 1 1 79 79 GLN C C 409 175.371 175.371 175.523 -0.152 17741 2786 1 5 . 1 1 79 79 GLN CA C 409 54.472 54.472 55.635 -1.163 17741 2787 1 5 . 1 1 79 79 GLN CB C 409 31.301 31.301 29.604 1.697 17741 2788 1 5 . 1 1 79 79 GLN H H 409 7.572 7.572 7.554 0.018 17741 2789 1 5 . 1 1 80 80 ARG N N 410 120.458 120.458 118.695 1.763 17741 2790 1 5 . 1 1 80 80 ARG HA H 410 4.275 4.275 4.292 -0.017 17741 2791 1 5 . 1 1 80 80 ARG C C 410 176.227 176.227 176.507 -0.280 17741 2792 1 5 . 1 1 80 80 ARG CA C 410 56.891 56.891 57.272 -0.381 17741 2793 1 5 . 1 1 80 80 ARG CB C 410 31.475 31.475 30.775 0.700 17741 2794 1 5 . 1 1 80 80 ARG H H 410 8.254 8.254 8.370 -0.116 17741 2795 1 5 . 1 1 81 81 LEU N N 411 119.424 119.424 120.345 -0.921 17741 2796 1 5 . 1 1 81 81 LEU HA H 411 4.048 4.048 4.597 -0.549 17741 2797 1 5 . 1 1 81 81 LEU C C 411 173.277 173.277 174.910 -1.633 17741 2798 1 5 . 1 1 81 81 LEU CA C 411 55.111 55.111 53.599 1.512 17741 2799 1 5 . 1 1 81 81 LEU CB C 411 40.298 40.298 42.945 -2.647 17741 2800 1 5 . 1 1 81 81 LEU H H 411 8.467 8.467 8.118 0.349 17741 2801 1 5 . 1 1 82 82 LEU N N 412 119.126 119.126 121.525 -2.399 17741 2802 1 5 . 1 1 82 82 LEU HA H 412 5.036 5.036 4.854 0.182 17741 2803 1 5 . 1 1 82 82 LEU C C 412 175.323 175.323 174.694 0.629 17741 2804 1 5 . 1 1 82 82 LEU CA C 412 53.175 53.175 53.509 -0.334 17741 2805 1 5 . 1 1 82 82 LEU CB C 412 45.482 45.482 43.192 2.290 17741 2806 1 5 . 1 1 82 82 LEU H H 412 6.769 6.769 7.133 -0.364 17741 2807 1 5 . 1 1 83 83 PHE N N 413 122.107 122.107 123.696 -1.589 17741 2808 1 5 . 1 1 83 83 PHE HA H 413 4.848 4.848 5.019 -0.171 17741 2809 1 5 . 1 1 83 83 PHE C C 413 172.764 172.764 173.630 -0.866 17741 2810 1 5 . 1 1 83 83 PHE CA C 413 55.848 55.848 56.017 -0.169 17741 2811 1 5 . 1 1 83 83 PHE CB C 413 44.675 44.675 42.911 1.764 17741 2812 1 5 . 1 1 83 83 PHE H H 413 8.648 8.648 8.944 -0.296 17741 2813 1 5 . 1 1 84 84 ARG N N 414 119.466 119.466 122.190 -2.724 17741 2814 1 5 . 1 1 84 84 ARG HA H 414 5.578 5.578 5.317 0.261 17741 2815 1 5 . 1 1 84 84 ARG C C 414 177.476 177.476 175.267 2.209 17741 2816 1 5 . 1 1 84 84 ARG CA C 414 54.198 54.198 54.330 -0.132 17741 2817 1 5 . 1 1 84 84 ARG CB C 414 36.128 36.128 33.571 2.557 17741 2818 1 5 . 1 1 84 84 ARG H H 414 9.117 9.117 8.743 0.374 17741 2819 1 5 . 1 1 85 85 PHE N N 415 124.357 124.357 128.592 -4.235 17741 2820 1 5 . 1 1 85 85 PHE HA H 415 5.037 5.037 4.726 0.311 17741 2821 1 5 . 1 1 85 85 PHE C C 415 176.084 176.084 176.404 -0.320 17741 2822 1 5 . 1 1 85 85 PHE CA C 415 59.719 59.719 59.873 -0.154 17741 2823 1 5 . 1 1 85 85 PHE CB C 415 40.812 40.812 39.105 1.707 17741 2824 1 5 . 1 1 85 85 PHE H H 415 8.984 8.984 9.698 -0.714 17741 2825 1 5 . 1 1 86 86 MET N N 416 121.301 121.301 124.323 -3.022 17741 2826 1 5 . 1 1 86 86 MET HA H 416 4.670 4.670 4.286 0.384 17741 2827 1 5 . 1 1 86 86 MET C C 416 176.543 176.543 176.615 -0.072 17741 2828 1 5 . 1 1 86 86 MET CA C 416 54.863 54.863 57.183 -2.320 17741 2829 1 5 . 1 1 86 86 MET CB C 416 31.711 31.711 32.416 -0.705 17741 2830 1 5 . 1 1 86 86 MET H H 416 8.671 8.671 8.756 -0.085 17741 2831 1 5 . 1 1 87 87 LYS N N 417 117.759 117.759 117.023 0.736 17741 2832 1 5 . 1 1 87 87 LYS HA H 417 4.856 4.856 4.625 0.231 17741 2833 1 5 . 1 1 87 87 LYS C C 417 175.445 175.445 175.264 0.181 17741 2834 1 5 . 1 1 87 87 LYS CA C 417 54.550 54.550 54.472 0.078 17741 2835 1 5 . 1 1 87 87 LYS CB C 417 37.828 37.828 35.978 1.850 17741 2836 1 5 . 1 1 87 87 LYS H H 417 7.656 7.656 7.640 0.016 17741 2837 1 5 . 1 1 88 88 THR N N 418 112.506 112.506 110.624 1.882 17741 2838 1 5 . 1 1 88 88 THR HA H 418 4.372 4.372 4.865 -0.493 17741 2839 1 5 . 1 1 88 88 THR C C 418 173.594 173.594 173.645 -0.051 17741 2840 1 5 . 1 1 88 88 THR CA C 418 59.640 59.640 58.877 0.763 17741 2841 1 5 . 1 1 88 88 THR CB C 418 68.065 68.065 68.869 -0.804 17741 2842 1 5 . 1 1 88 88 THR H H 418 8.685 8.685 8.113 0.572 17741 2843 1 5 . 1 1 89 89 PRO HA H 419 3.748 3.748 3.980 -0.232 17741 2844 1 5 . 1 1 89 89 PRO C C 419 177.219 177.219 178.545 -1.326 17741 2845 1 5 . 1 1 89 89 PRO CA C 419 65.592 65.592 66.483 -0.891 17741 2846 1 5 . 1 1 89 89 PRO CB C 419 31.739 31.739 31.808 -0.069 17741 2847 1 5 . 1 1 90 90 ASP N N 420 114.631 114.631 115.975 -1.344 17741 2848 1 5 . 1 1 90 90 ASP HA H 420 4.265 4.265 4.418 -0.153 17741 2849 1 5 . 1 1 90 90 ASP C C 420 177.962 177.962 177.530 0.432 17741 2850 1 5 . 1 1 90 90 ASP CA C 420 56.371 56.371 56.828 -0.457 17741 2851 1 5 . 1 1 90 90 ASP CB C 420 40.662 40.662 40.555 0.107 17741 2852 1 5 . 1 1 90 90 ASP H H 420 7.962 7.962 8.513 -0.551 17741 2853 1 5 . 1 1 91 91 GLU N N 421 119.501 119.501 117.930 1.571 17741 2854 1 5 . 1 1 91 91 GLU HA H 421 4.043 4.043 4.158 -0.115 17741 2855 1 5 . 1 1 91 91 GLU C C 421 178.599 178.599 178.999 -0.400 17741 2856 1 5 . 1 1 91 91 GLU CA C 421 58.113 58.113 58.527 -0.414 17741 2857 1 5 . 1 1 91 91 GLU CB C 421 30.721 30.721 30.097 0.624 17741 2858 1 5 . 1 1 91 91 GLU H H 421 7.661 7.661 7.910 -0.249 17741 2859 1 5 . 1 1 92 92 ILE N N 422 120.594 120.594 121.259 -0.665 17741 2860 1 5 . 1 1 92 92 ILE HA H 422 3.641 3.641 3.633 0.008 17741 2861 1 5 . 1 1 92 92 ILE C C 422 177.752 177.752 177.383 0.369 17741 2862 1 5 . 1 1 92 92 ILE CA C 422 62.931 62.931 65.212 -2.281 17741 2863 1 5 . 1 1 92 92 ILE CB C 422 38.185 38.185 37.927 0.258 17741 2864 1 5 . 1 1 92 92 ILE H H 422 7.861 7.861 8.093 -0.232 17741 2865 1 5 . 1 1 93 93 MET N N 423 119.187 119.187 114.445 4.742 17741 2866 1 5 . 1 1 93 93 MET HA H 423 4.391 4.391 4.656 -0.265 17741 2867 1 5 . 1 1 93 93 MET C C 423 176.982 176.982 176.444 0.538 17741 2868 1 5 . 1 1 93 93 MET CA C 423 56.491 56.491 56.760 -0.269 17741 2869 1 5 . 1 1 93 93 MET CB C 423 32.584 32.584 32.671 -0.087 17741 2870 1 5 . 1 1 93 93 MET H H 423 8.158 8.158 8.119 0.039 17741 2871 1 5 . 1 1 94 94 SER N N 424 114.933 114.933 115.809 -0.876 17741 2872 1 5 . 1 1 94 94 SER HA H 424 4.394 4.394 4.514 -0.120 17741 2873 1 5 . 1 1 94 94 SER C C 424 175.238 175.238 174.699 0.539 17741 2874 1 5 . 1 1 94 94 SER CA C 424 59.423 59.423 57.950 1.473 17741 2875 1 5 . 1 1 94 94 SER CB C 424 63.695 63.695 63.222 0.473 17741 2876 1 5 . 1 1 94 94 SER H H 424 7.854 7.854 7.527 0.327 17741 2877 1 5 . 1 1 95 95 GLY N N 425 110.045 110.045 109.316 0.729 17741 2878 1 5 . 1 1 95 95 GLY C C 425 174.194 174.194 174.798 -0.604 17741 2879 1 5 . 1 1 95 95 GLY CA C 425 45.432 45.432 45.153 0.279 17741 2880 1 5 . 1 1 95 95 GLY H H 425 8.061 8.061 8.236 -0.175 17741 2881 1 5 . 1 1 96 96 ARG N N 426 119.987 119.987 120.383 -0.396 17741 2882 1 5 . 1 1 96 96 ARG HA H 426 4.475 4.475 4.426 0.049 17741 2883 1 5 . 1 1 96 96 ARG C C 426 177.308 177.308 178.508 -1.200 17741 2884 1 5 . 1 1 96 96 ARG CA C 426 56.195 56.195 57.839 -1.643 17741 2885 1 5 . 1 1 96 96 ARG CB C 426 30.354 30.354 30.461 -0.107 17741 2886 1 5 . 1 1 96 96 ARG H H 426 8.092 8.092 7.904 0.188 17741 2887 1 5 . 1 1 97 97 THR N N 427 114.398 114.398 113.156 1.242 17741 2888 1 5 . 1 1 97 97 THR HA H 427 4.298 4.298 4.365 -0.067 17741 2889 1 5 . 1 1 97 97 THR C C 427 174.913 174.913 175.565 -0.652 17741 2890 1 5 . 1 1 97 97 THR CA C 427 62.673 62.673 65.071 -2.398 17741 2891 1 5 . 1 1 97 97 THR CB C 427 69.473 69.473 68.404 1.069 17741 2892 1 5 . 1 1 97 97 THR H H 427 8.319 8.319 7.995 0.324 17741 2893 1 5 . 1 1 98 98 ASP N N 428 121.983 121.983 122.514 -0.531 17741 2894 1 5 . 1 1 98 98 ASP HA H 428 4.508 4.508 4.640 -0.132 17741 2895 1 5 . 1 1 98 98 ASP C C 428 176.956 176.956 177.354 -0.398 17741 2896 1 5 . 1 1 98 98 ASP CA C 428 55.433 55.433 57.765 -2.332 17741 2897 1 5 . 1 1 98 98 ASP CB C 428 40.746 40.746 40.925 -0.179 17741 2898 1 5 . 1 1 98 98 ASP H H 428 8.488 8.488 8.651 -0.163 17741 2899 1 5 . 1 1 99 99 ARG N N 429 119.821 119.821 117.110 2.711 17741 2900 1 5 . 1 1 99 99 ARG HA H 429 4.277 4.277 4.228 0.049 17741 2901 1 5 . 1 1 99 99 ARG C C 429 177.078 177.078 179.021 -1.943 17741 2902 1 5 . 1 1 99 99 ARG CA C 429 56.984 56.984 58.474 -1.490 17741 2903 1 5 . 1 1 99 99 ARG CB C 429 30.224 30.224 30.484 -0.260 17741 2904 1 5 . 1 1 99 99 ARG H H 429 8.088 8.088 7.529 0.559 17741 2905 1 5 . 1 1 100 100 LEU N N 430 120.887 120.887 122.184 -1.297 17741 2906 1 5 . 1 1 100 100 LEU HA H 430 4.176 4.176 4.243 -0.067 17741 2907 1 5 . 1 1 100 100 LEU C C 430 177.732 177.732 178.641 -0.909 17741 2908 1 5 . 1 1 100 100 LEU CA C 430 56.324 56.324 58.040 -1.716 17741 2909 1 5 . 1 1 100 100 LEU CB C 430 42.262 42.262 42.066 0.195 17741 2910 1 5 . 1 1 100 100 LEU H H 430 7.945 7.945 8.050 -0.105 17741 2911 1 5 . 1 1 101 101 GLU N N 431 119.799 119.799 117.590 2.209 17741 2912 1 5 . 1 1 101 101 GLU HA H 431 4.082 4.082 4.030 0.052 17741 2913 1 5 . 1 1 101 101 GLU C C 431 177.281 177.281 178.269 -0.988 17741 2914 1 5 . 1 1 101 101 GLU CA C 431 58.011 58.011 59.120 -1.109 17741 2915 1 5 . 1 1 101 101 GLU CB C 431 30.191 30.191 29.434 0.757 17741 2916 1 5 . 1 1 101 101 GLU H H 431 8.268 8.268 8.518 -0.250 17741 2917 1 5 . 1 1 102 102 HIS N N 432 118.048 118.048 115.461 2.587 17741 2918 1 5 . 1 1 102 102 HIS HA H 432 4.584 4.584 4.552 0.032 17741 2919 1 5 . 1 1 102 102 HIS C C 432 175.678 175.678 176.660 -0.982 17741 2920 1 5 . 1 1 102 102 HIS CA C 432 56.571 56.571 57.940 -1.369 17741 2921 1 5 . 1 1 102 102 HIS CB C 432 29.352 29.352 31.000 -1.648 17741 2922 1 5 . 1 1 102 102 HIS H H 432 8.166 8.166 7.908 0.258 17741 2923 1 5 . 1 1 103 103 LEU N N 433 122.228 122.228 118.136 4.092 17741 2924 1 5 . 1 1 103 103 LEU HA H 433 4.176 4.176 4.620 -0.444 17741 2925 1 5 . 1 1 103 103 LEU C C 433 177.904 177.904 178.744 -0.840 17741 2926 1 5 . 1 1 103 103 LEU CA C 433 56.237 56.237 57.319 -1.082 17741 2927 1 5 . 1 1 103 103 LEU CB C 433 42.305 42.305 42.560 -0.255 17741 2928 1 5 . 1 1 103 103 LEU H H 433 8.072 8.072 7.807 0.265 17741 2929 1 5 . 1 1 104 104 GLU N N 434 119.413 119.413 120.180 -0.767 17741 2930 1 5 . 1 1 104 104 GLU HA H 434 4.309 4.309 4.296 0.013 17741 2931 1 5 . 1 1 104 104 GLU C C 434 176.560 176.560 178.719 -2.159 17741 2932 1 5 . 1 1 104 104 GLU CA C 434 57.098 57.098 58.415 -1.317 17741 2933 1 5 . 1 1 104 104 GLU CB C 434 30.301 30.301 28.476 1.825 17741 2934 1 5 . 1 1 104 104 GLU H H 434 8.331 8.331 8.985 -0.653 17741 2935 1 5 . 1 1 105 105 SER N N 435 115.859 115.859 113.903 1.956 17741 2936 1 5 . 1 1 105 105 SER HA H 435 4.443 4.443 4.407 0.036 17741 2937 1 5 . 1 1 105 105 SER C C 435 173.630 173.630 174.152 -0.522 17741 2938 1 5 . 1 1 105 105 SER CA C 435 58.591 58.591 58.526 0.065 17741 2939 1 5 . 1 1 105 105 SER CB C 435 64.066 64.066 63.534 0.532 17741 2940 1 5 . 1 1 105 105 SER H H 435 7.976 7.976 8.320 -0.344 17741 2941 1 6 . 1 1 5 5 ARG N N 335 123.531 123.531 122.541 0.990 17741 2942 1 6 . 1 1 5 5 ARG HA H 335 4.411 4.411 4.389 0.022 17741 2943 1 6 . 1 1 5 5 ARG C C 335 176.473 176.473 176.798 -0.325 17741 2944 1 6 . 1 1 5 5 ARG CA C 335 56.571 56.571 55.708 0.863 17741 2945 1 6 . 1 1 5 5 ARG CB C 335 31.352 31.352 30.974 0.378 17741 2946 1 6 . 1 1 5 5 ARG H H 335 9.347 9.347 8.255 1.092 17741 2947 1 6 . 1 1 6 6 LEU N N 336 121.545 121.545 120.139 1.406 17741 2948 1 6 . 1 1 6 6 LEU HA H 336 4.293 4.293 4.936 -0.643 17741 2949 1 6 . 1 1 6 6 LEU C C 336 178.837 178.837 177.131 1.706 17741 2950 1 6 . 1 1 6 6 LEU CA C 336 54.652 54.652 53.902 0.750 17741 2951 1 6 . 1 1 6 6 LEU CB C 336 43.365 43.365 43.123 0.242 17741 2952 1 6 . 1 1 6 6 LEU H H 336 8.556 8.556 8.049 0.507 17741 2953 1 6 . 1 1 7 7 LEU HA H 337 3.441 3.441 2.916 0.525 17741 2954 1 6 . 1 1 7 7 LEU C C 337 177.908 177.908 178.275 -0.367 17741 2955 1 6 . 1 1 7 7 LEU CA C 337 58.771 58.771 58.467 0.304 17741 2956 1 6 . 1 1 7 7 LEU CB C 337 40.192 40.192 41.720 -1.528 17741 2957 1 6 . 1 1 8 8 TRP N N 338 114.624 114.624 117.115 -2.491 17741 2958 1 6 . 1 1 8 8 TRP HA H 338 3.785 3.785 4.325 -0.540 17741 2959 1 6 . 1 1 8 8 TRP C C 338 175.318 175.318 177.586 -2.268 17741 2960 1 6 . 1 1 8 8 TRP CA C 338 59.891 59.891 59.522 0.369 17741 2961 1 6 . 1 1 8 8 TRP CB C 338 28.359 28.359 28.162 0.197 17741 2962 1 6 . 1 1 8 8 TRP H H 338 7.515 7.515 7.320 0.195 17741 2963 1 6 . 1 1 9 9 ASP HA H 339 3.813 3.813 4.224 -0.411 17741 2964 1 6 . 1 1 9 9 ASP C C 339 177.355 177.355 177.745 -0.390 17741 2965 1 6 . 1 1 9 9 ASP CA C 339 56.291 56.291 56.036 0.255 17741 2966 1 6 . 1 1 9 9 ASP CB C 339 41.591 41.591 39.981 1.610 17741 2967 1 6 . 1 1 10 10 TYR N N 340 120.906 120.906 120.980 -0.074 17741 2968 1 6 . 1 1 10 10 TYR HA H 340 3.897 3.897 3.920 -0.023 17741 2969 1 6 . 1 1 10 10 TYR C C 340 177.011 177.011 177.382 -0.371 17741 2970 1 6 . 1 1 10 10 TYR CA C 340 61.913 61.913 60.766 1.147 17741 2971 1 6 . 1 1 10 10 TYR CB C 340 39.482 39.482 38.263 1.219 17741 2972 1 6 . 1 1 10 10 TYR H H 340 8.005 8.005 8.457 -0.452 17741 2973 1 6 . 1 1 11 11 VAL N N 341 115.016 115.016 117.885 -2.869 17741 2974 1 6 . 1 1 11 11 VAL HA H 341 2.992 2.992 3.251 -0.259 17741 2975 1 6 . 1 1 11 11 VAL C C 341 176.751 176.751 176.994 -0.243 17741 2976 1 6 . 1 1 11 11 VAL CA C 341 66.910 66.910 65.214 1.696 17741 2977 1 6 . 1 1 11 11 VAL CB C 341 30.968 30.968 30.154 0.815 17741 2978 1 6 . 1 1 11 11 VAL H H 341 8.287 8.287 7.735 0.552 17741 2979 1 6 . 1 1 12 12 TYR N N 342 119.030 119.030 119.544 -0.514 17741 2980 1 6 . 1 1 12 12 TYR HA H 342 3.641 3.641 3.870 -0.229 17741 2981 1 6 . 1 1 12 12 TYR C C 342 178.659 178.659 177.671 0.988 17741 2982 1 6 . 1 1 12 12 TYR CA C 342 63.010 63.010 62.385 0.625 17741 2983 1 6 . 1 1 12 12 TYR CB C 342 38.212 38.212 37.539 0.673 17741 2984 1 6 . 1 1 12 12 TYR H H 342 7.673 7.673 7.609 0.064 17741 2985 1 6 . 1 1 13 13 GLN N N 343 119.113 119.113 118.879 0.234 17741 2986 1 6 . 1 1 13 13 GLN HA H 343 3.828 3.828 4.087 -0.259 17741 2987 1 6 . 1 1 13 13 GLN C C 343 179.955 179.955 177.947 2.008 17741 2988 1 6 . 1 1 13 13 GLN CA C 343 58.871 58.871 58.376 0.495 17741 2989 1 6 . 1 1 13 13 GLN CB C 343 27.514 27.514 27.881 -0.367 17741 2990 1 6 . 1 1 13 13 GLN H H 343 8.161 8.161 7.578 0.583 17741 2991 1 6 . 1 1 14 14 LEU N N 344 121.401 121.401 119.974 1.427 17741 2992 1 6 . 1 1 14 14 LEU HA H 344 3.611 3.611 3.980 -0.369 17741 2993 1 6 . 1 1 14 14 LEU C C 344 179.789 179.789 179.559 0.230 17741 2994 1 6 . 1 1 14 14 LEU CA C 344 58.043 58.043 56.980 1.063 17741 2995 1 6 . 1 1 14 14 LEU CB C 344 41.598 41.598 41.464 0.134 17741 2996 1 6 . 1 1 14 14 LEU H H 344 7.825 7.825 7.395 0.430 17741 2997 1 6 . 1 1 15 15 LEU N N 345 116.853 116.853 118.888 -2.035 17741 2998 1 6 . 1 1 15 15 LEU HA H 345 3.504 3.504 3.784 -0.280 17741 2999 1 6 . 1 1 15 15 LEU C C 345 178.149 178.149 178.655 -0.506 17741 3000 1 6 . 1 1 15 15 LEU CA C 345 56.473 56.473 56.573 -0.100 17741 3001 1 6 . 1 1 15 15 LEU CB C 345 41.322 41.322 40.142 1.180 17741 3002 1 6 . 1 1 15 15 LEU H H 345 7.503 7.503 8.355 -0.852 17741 3003 1 6 . 1 1 16 16 SER N N 346 112.491 112.491 111.188 1.303 17741 3004 1 6 . 1 1 16 16 SER HA H 346 4.522 4.522 4.589 -0.067 17741 3005 1 6 . 1 1 16 16 SER C C 346 172.441 172.441 174.184 -1.743 17741 3006 1 6 . 1 1 16 16 SER CA C 346 58.859 58.859 58.852 0.007 17741 3007 1 6 . 1 1 16 16 SER CB C 346 63.987 63.987 63.988 -0.001 17741 3008 1 6 . 1 1 16 16 SER H H 346 7.277 7.277 7.544 -0.267 17741 3009 1 6 . 1 1 17 17 ASP N N 347 122.161 122.161 121.381 0.780 17741 3010 1 6 . 1 1 17 17 ASP HA H 347 4.966 4.966 4.839 0.127 17741 3011 1 6 . 1 1 17 17 ASP C C 347 175.692 175.692 177.054 -1.362 17741 3012 1 6 . 1 1 17 17 ASP CA C 347 52.805 52.805 53.278 -0.473 17741 3013 1 6 . 1 1 17 17 ASP CB C 347 43.392 43.392 43.304 0.088 17741 3014 1 6 . 1 1 17 17 ASP H H 347 7.345 7.345 7.441 -0.096 17741 3015 1 6 . 1 1 18 18 SER N N 348 120.164 120.164 121.535 -1.371 17741 3016 1 6 . 1 1 18 18 SER HA H 348 4.356 4.356 4.245 0.111 17741 3017 1 6 . 1 1 18 18 SER C C 348 176.200 176.200 176.081 0.119 17741 3018 1 6 . 1 1 18 18 SER CA C 348 61.207 61.207 60.992 0.215 17741 3019 1 6 . 1 1 18 18 SER CB C 348 63.226 63.226 63.088 0.138 17741 3020 1 6 . 1 1 18 18 SER H H 348 8.686 8.686 8.753 -0.067 17741 3021 1 6 . 1 1 19 19 ARG N N 349 122.701 122.701 121.394 1.307 17741 3022 1 6 . 1 1 19 19 ARG HA H 349 4.105 4.105 3.894 0.211 17741 3023 1 6 . 1 1 19 19 ARG C C 349 178.120 178.120 176.101 2.019 17741 3024 1 6 . 1 1 19 19 ARG CA C 349 58.604 58.604 58.055 0.549 17741 3025 1 6 . 1 1 19 19 ARG CB C 349 29.854 29.854 29.118 0.736 17741 3026 1 6 . 1 1 19 19 ARG H H 349 8.597 8.597 7.665 0.932 17741 3027 1 6 . 1 1 20 20 TYR N N 350 116.257 116.257 115.371 0.886 17741 3028 1 6 . 1 1 20 20 TYR HA H 350 4.884 4.884 4.627 0.257 17741 3029 1 6 . 1 1 20 20 TYR C C 350 176.977 176.977 175.735 1.242 17741 3030 1 6 . 1 1 20 20 TYR CA C 350 58.758 58.758 56.843 1.915 17741 3031 1 6 . 1 1 20 20 TYR CB C 350 37.602 37.602 38.383 -0.781 17741 3032 1 6 . 1 1 20 20 TYR H H 350 8.285 8.285 7.304 0.981 17741 3033 1 6 . 1 1 21 21 GLU N N 351 120.807 120.807 120.925 -0.118 17741 3034 1 6 . 1 1 21 21 GLU HA H 351 4.454 4.454 4.363 0.091 17741 3035 1 6 . 1 1 21 21 GLU C C 351 176.277 176.277 177.521 -1.244 17741 3036 1 6 . 1 1 21 21 GLU CA C 351 59.135 59.135 58.810 0.325 17741 3037 1 6 . 1 1 21 21 GLU CB C 351 29.674 29.674 29.297 0.377 17741 3038 1 6 . 1 1 21 21 GLU H H 351 7.527 7.527 7.876 -0.349 17741 3039 1 6 . 1 1 22 22 ASN N N 352 114.501 114.501 115.406 -0.905 17741 3040 1 6 . 1 1 22 22 ASN HA H 352 4.471 4.471 4.607 -0.136 17741 3041 1 6 . 1 1 22 22 ASN C C 352 174.426 174.426 175.968 -1.542 17741 3042 1 6 . 1 1 22 22 ASN CA C 352 54.002 54.002 54.001 0.001 17741 3043 1 6 . 1 1 22 22 ASN CB C 352 36.943 36.943 38.319 -1.376 17741 3044 1 6 . 1 1 22 22 ASN H H 352 8.647 8.647 7.783 0.864 17741 3045 1 6 . 1 1 23 23 PHE N N 353 115.528 115.528 117.064 -1.536 17741 3046 1 6 . 1 1 23 23 PHE HA H 353 4.751 4.751 4.751 0.000 17741 3047 1 6 . 1 1 23 23 PHE C C 353 176.374 176.374 175.324 1.050 17741 3048 1 6 . 1 1 23 23 PHE CA C 353 59.617 59.617 57.742 1.875 17741 3049 1 6 . 1 1 23 23 PHE CB C 353 41.431 41.431 41.648 -0.217 17741 3050 1 6 . 1 1 23 23 PHE H H 353 8.578 8.578 7.877 0.701 17741 3051 1 6 . 1 1 24 24 ILE N N 354 120.520 120.520 119.067 1.453 17741 3052 1 6 . 1 1 24 24 ILE HA H 354 5.063 5.063 5.093 -0.030 17741 3053 1 6 . 1 1 24 24 ILE C C 354 170.331 170.331 172.878 -2.547 17741 3054 1 6 . 1 1 24 24 ILE CA C 354 59.835 59.835 60.756 -0.921 17741 3055 1 6 . 1 1 24 24 ILE CB C 354 40.605 40.605 41.917 -1.312 17741 3056 1 6 . 1 1 24 24 ILE H H 354 8.436 8.436 8.595 -0.159 17741 3057 1 6 . 1 1 25 25 ARG N N 355 121.401 121.401 121.199 0.202 17741 3058 1 6 . 1 1 25 25 ARG HA H 355 4.916 4.916 4.800 0.116 17741 3059 1 6 . 1 1 25 25 ARG C C 355 175.099 175.099 174.118 0.981 17741 3060 1 6 . 1 1 25 25 ARG CA C 355 54.461 54.461 54.973 -0.512 17741 3061 1 6 . 1 1 25 25 ARG CB C 355 33.662 33.662 33.567 0.095 17741 3062 1 6 . 1 1 25 25 ARG H H 355 8.668 8.668 9.033 -0.365 17741 3063 1 6 . 1 1 26 26 TRP N N 356 122.022 122.022 124.857 -2.835 17741 3064 1 6 . 1 1 26 26 TRP HA H 356 4.894 4.894 4.868 0.026 17741 3065 1 6 . 1 1 26 26 TRP C C 356 176.606 176.606 177.016 -0.410 17741 3066 1 6 . 1 1 26 26 TRP CA C 356 57.835 57.835 57.596 0.239 17741 3067 1 6 . 1 1 26 26 TRP CB C 356 30.564 30.564 29.314 1.250 17741 3068 1 6 . 1 1 26 26 TRP H H 356 9.149 9.149 9.024 0.125 17741 3069 1 6 . 1 1 27 27 GLU N N 357 125.415 125.415 125.742 -0.327 17741 3070 1 6 . 1 1 27 27 GLU HA H 357 4.686 4.686 4.349 0.337 17741 3071 1 6 . 1 1 27 27 GLU C C 357 176.709 176.709 176.298 0.411 17741 3072 1 6 . 1 1 27 27 GLU CA C 357 56.939 56.939 58.283 -1.345 17741 3073 1 6 . 1 1 27 27 GLU CB C 357 31.545 31.545 30.656 0.889 17741 3074 1 6 . 1 1 27 27 GLU H H 357 9.524 9.524 8.642 0.882 17741 3075 1 6 . 1 1 28 28 ASP N N 358 116.214 116.214 118.736 -2.522 17741 3076 1 6 . 1 1 28 28 ASP HA H 358 4.759 4.759 4.841 -0.082 17741 3077 1 6 . 1 1 28 28 ASP C C 358 176.124 176.124 175.312 0.812 17741 3078 1 6 . 1 1 28 28 ASP CA C 358 53.481 53.481 53.762 -0.281 17741 3079 1 6 . 1 1 28 28 ASP CB C 358 41.921 41.921 42.584 -0.663 17741 3080 1 6 . 1 1 28 28 ASP H H 358 7.828 7.828 8.253 -0.425 17741 3081 1 6 . 1 1 29 29 LYS N N 359 127.750 127.750 125.282 2.468 17741 3082 1 6 . 1 1 29 29 LYS HA H 359 3.162 3.162 2.891 0.271 17741 3083 1 6 . 1 1 29 29 LYS C C 359 178.683 178.683 177.305 1.378 17741 3084 1 6 . 1 1 29 29 LYS CA C 359 60.173 60.173 58.858 1.315 17741 3085 1 6 . 1 1 29 29 LYS CB C 359 32.728 32.728 32.158 0.570 17741 3086 1 6 . 1 1 29 29 LYS H H 359 9.221 9.221 8.496 0.725 17741 3087 1 6 . 1 1 30 30 GLU N N 360 119.608 119.608 115.714 3.894 17741 3088 1 6 . 1 1 30 30 GLU HA H 360 3.923 3.923 4.096 -0.173 17741 3089 1 6 . 1 1 30 30 GLU C C 360 178.598 178.598 178.299 0.299 17741 3090 1 6 . 1 1 30 30 GLU CA C 360 59.512 59.512 57.639 1.873 17741 3091 1 6 . 1 1 30 30 GLU CB C 360 29.188 29.188 28.855 0.334 17741 3092 1 6 . 1 1 30 30 GLU H H 360 8.343 8.343 8.538 -0.195 17741 3093 1 6 . 1 1 31 31 SER N N 361 113.313 113.313 115.346 -2.033 17741 3094 1 6 . 1 1 31 31 SER HA H 361 4.485 4.485 4.423 0.062 17741 3095 1 6 . 1 1 31 31 SER C C 361 172.284 172.284 173.644 -1.360 17741 3096 1 6 . 1 1 31 31 SER CA C 361 58.745 58.745 58.487 0.258 17741 3097 1 6 . 1 1 31 31 SER CB C 361 63.728 63.728 63.380 0.347 17741 3098 1 6 . 1 1 31 31 SER H H 361 7.466 7.466 7.577 -0.111 17741 3099 1 6 . 1 1 32 32 LYS N N 362 115.197 115.197 117.218 -2.021 17741 3100 1 6 . 1 1 32 32 LYS HA H 362 3.894 3.894 3.855 0.039 17741 3101 1 6 . 1 1 32 32 LYS C C 362 175.489 175.489 175.294 0.195 17741 3102 1 6 . 1 1 32 32 LYS CA C 362 57.641 57.641 57.340 0.301 17741 3103 1 6 . 1 1 32 32 LYS CB C 362 29.811 29.811 30.017 -0.206 17741 3104 1 6 . 1 1 32 32 LYS H H 362 7.741 7.741 7.521 0.220 17741 3105 1 6 . 1 1 33 33 ILE N N 363 118.359 118.359 119.372 -1.013 17741 3106 1 6 . 1 1 33 33 ILE HA H 363 5.356 5.356 5.166 0.190 17741 3107 1 6 . 1 1 33 33 ILE C C 363 177.019 177.019 175.563 1.456 17741 3108 1 6 . 1 1 33 33 ILE CA C 363 60.455 60.455 61.075 -0.620 17741 3109 1 6 . 1 1 33 33 ILE CB C 363 40.081 40.081 39.830 0.251 17741 3110 1 6 . 1 1 33 33 ILE H H 363 8.268 8.268 8.472 -0.204 17741 3111 1 6 . 1 1 34 34 PHE N N 364 128.287 128.287 125.452 2.835 17741 3112 1 6 . 1 1 34 34 PHE HA H 364 5.576 5.576 5.767 -0.191 17741 3113 1 6 . 1 1 34 34 PHE C C 364 170.447 170.447 173.035 -2.588 17741 3114 1 6 . 1 1 34 34 PHE CA C 364 55.128 55.128 55.437 -0.309 17741 3115 1 6 . 1 1 34 34 PHE CB C 364 44.010 44.010 42.834 1.176 17741 3116 1 6 . 1 1 34 34 PHE H H 364 9.962 9.962 9.415 0.547 17741 3117 1 6 . 1 1 35 35 ARG N N 365 120.900 120.900 122.134 -1.234 17741 3118 1 6 . 1 1 35 35 ARG HA H 365 5.486 5.486 5.111 0.375 17741 3119 1 6 . 1 1 35 35 ARG C C 365 176.462 176.462 175.427 1.035 17741 3120 1 6 . 1 1 35 35 ARG CA C 365 53.609 53.609 53.845 -0.236 17741 3121 1 6 . 1 1 35 35 ARG CB C 365 36.518 36.518 32.981 3.537 17741 3122 1 6 . 1 1 35 35 ARG H H 365 9.427 9.427 9.372 0.055 17741 3123 1 6 . 1 1 36 36 ILE N N 366 125.534 125.534 127.867 -2.333 17741 3124 1 6 . 1 1 36 36 ILE HA H 366 4.209 4.209 4.210 -0.001 17741 3125 1 6 . 1 1 36 36 ILE C C 366 173.899 173.899 175.414 -1.515 17741 3126 1 6 . 1 1 36 36 ILE CA C 366 63.033 63.033 62.274 0.759 17741 3127 1 6 . 1 1 36 36 ILE CB C 366 37.889 37.889 37.600 0.289 17741 3128 1 6 . 1 1 36 36 ILE H H 366 8.643 8.643 9.087 -0.444 17741 3129 1 6 . 1 1 37 37 VAL N N 367 129.194 129.194 127.815 1.379 17741 3130 1 6 . 1 1 37 37 VAL HA H 367 3.679 3.679 3.935 -0.256 17741 3131 1 6 . 1 1 37 37 VAL C C 367 175.919 175.919 176.394 -0.475 17741 3132 1 6 . 1 1 37 37 VAL CA C 367 64.068 64.068 64.684 -0.616 17741 3133 1 6 . 1 1 37 37 VAL CB C 367 32.884 32.884 32.144 0.740 17741 3134 1 6 . 1 1 37 37 VAL H H 367 7.841 7.841 8.387 -0.546 17741 3135 1 6 . 1 1 38 38 ASP N N 368 114.969 114.969 117.710 -2.741 17741 3136 1 6 . 1 1 38 38 ASP HA H 368 5.222 5.222 5.058 0.164 17741 3137 1 6 . 1 1 38 38 ASP C C 368 173.227 173.227 174.559 -1.332 17741 3138 1 6 . 1 1 38 38 ASP CA C 368 50.238 50.238 51.263 -1.025 17741 3139 1 6 . 1 1 38 38 ASP CB C 368 42.181 42.181 42.907 -0.727 17741 3140 1 6 . 1 1 38 38 ASP H H 368 7.316 7.316 8.231 -0.915 17741 3141 1 6 . 1 1 39 39 PRO HA H 369 3.809 3.809 4.156 -0.347 17741 3142 1 6 . 1 1 39 39 PRO C C 369 177.958 177.958 178.201 -0.243 17741 3143 1 6 . 1 1 39 39 PRO CA C 369 65.612 65.612 64.956 0.656 17741 3144 1 6 . 1 1 39 39 PRO CB C 369 31.068 31.068 31.664 -0.596 17741 3145 1 6 . 1 1 40 40 ASN N N 370 115.480 115.480 116.820 -1.340 17741 3146 1 6 . 1 1 40 40 ASN HA H 370 4.604 4.604 4.525 0.079 17741 3147 1 6 . 1 1 40 40 ASN C C 370 178.566 178.566 177.682 0.884 17741 3148 1 6 . 1 1 40 40 ASN CA C 370 56.471 56.471 56.519 -0.048 17741 3149 1 6 . 1 1 40 40 ASN CB C 370 38.068 38.068 38.229 -0.161 17741 3150 1 6 . 1 1 40 40 ASN H H 370 8.094 8.094 8.417 -0.323 17741 3151 1 6 . 1 1 41 41 GLY N N 371 111.371 111.371 107.411 3.960 17741 3152 1 6 . 1 1 41 41 GLY C C 371 176.018 176.018 175.536 0.482 17741 3153 1 6 . 1 1 41 41 GLY CA C 371 47.862 47.862 45.809 2.053 17741 3154 1 6 . 1 1 41 41 GLY H H 371 8.632 8.632 8.963 -0.331 17741 3155 1 6 . 1 1 42 42 LEU N N 372 122.901 122.901 122.773 0.128 17741 3156 1 6 . 1 1 42 42 LEU HA H 372 4.035 4.035 4.247 -0.212 17741 3157 1 6 . 1 1 42 42 LEU C C 372 177.704 177.704 178.485 -0.781 17741 3158 1 6 . 1 1 42 42 LEU CA C 372 57.913 57.913 57.164 0.749 17741 3159 1 6 . 1 1 42 42 LEU CB C 372 42.136 42.136 41.300 0.836 17741 3160 1 6 . 1 1 42 42 LEU H H 372 8.876 8.876 7.823 1.053 17741 3161 1 6 . 1 1 43 43 ALA N N 373 120.103 120.103 121.355 -1.252 17741 3162 1 6 . 1 1 43 43 ALA HA H 373 4.462 4.462 4.249 0.213 17741 3163 1 6 . 1 1 43 43 ALA C C 373 179.091 179.091 178.973 0.118 17741 3164 1 6 . 1 1 43 43 ALA CA C 373 55.441 55.441 55.269 0.172 17741 3165 1 6 . 1 1 43 43 ALA CB C 373 18.098 18.098 18.504 -0.406 17741 3166 1 6 . 1 1 43 43 ALA H H 373 8.062 8.062 8.644 -0.582 17741 3167 1 6 . 1 1 44 44 ARG N N 374 118.071 118.071 119.408 -1.337 17741 3168 1 6 . 1 1 44 44 ARG HA H 374 4.117 4.117 4.055 0.062 17741 3169 1 6 . 1 1 44 44 ARG C C 374 179.414 179.414 178.350 1.064 17741 3170 1 6 . 1 1 44 44 ARG CA C 374 59.297 59.297 59.239 0.058 17741 3171 1 6 . 1 1 44 44 ARG CB C 374 30.069 30.069 29.753 0.316 17741 3172 1 6 . 1 1 44 44 ARG H H 374 7.725 7.725 7.612 0.113 17741 3173 1 6 . 1 1 45 45 LEU N N 375 121.601 121.601 121.100 0.501 17741 3174 1 6 . 1 1 45 45 LEU HA H 375 4.015 4.015 4.257 -0.242 17741 3175 1 6 . 1 1 45 45 LEU C C 375 180.087 180.087 178.986 1.101 17741 3176 1 6 . 1 1 45 45 LEU CA C 375 58.553 58.553 58.120 0.433 17741 3177 1 6 . 1 1 45 45 LEU CB C 375 41.495 41.495 41.367 0.128 17741 3178 1 6 . 1 1 45 45 LEU H H 375 7.877 7.877 7.901 -0.024 17741 3179 1 6 . 1 1 46 46 TRP N N 376 121.543 121.543 121.252 0.291 17741 3180 1 6 . 1 1 46 46 TRP HA H 376 4.333 4.333 3.938 0.395 17741 3181 1 6 . 1 1 46 46 TRP C C 376 177.572 177.572 178.518 -0.946 17741 3182 1 6 . 1 1 46 46 TRP CA C 376 59.091 59.091 59.297 -0.206 17741 3183 1 6 . 1 1 46 46 TRP CB C 376 30.305 30.305 29.730 0.575 17741 3184 1 6 . 1 1 46 46 TRP H H 376 8.615 8.615 8.550 0.065 17741 3185 1 6 . 1 1 47 47 GLY N N 377 105.532 105.532 105.861 -0.329 17741 3186 1 6 . 1 1 47 47 GLY C C 377 176.057 176.057 176.099 -0.042 17741 3187 1 6 . 1 1 47 47 GLY CA C 377 48.035 48.035 47.038 0.997 17741 3188 1 6 . 1 1 47 47 GLY H H 377 8.877 8.877 8.944 -0.067 17741 3189 1 6 . 1 1 48 48 ASN N N 378 119.996 119.996 119.997 -0.001 17741 3190 1 6 . 1 1 48 48 ASN HA H 378 4.403 4.403 4.476 -0.073 17741 3191 1 6 . 1 1 48 48 ASN C C 378 178.112 178.112 177.184 0.928 17741 3192 1 6 . 1 1 48 48 ASN CA C 378 56.229 56.229 55.766 0.463 17741 3193 1 6 . 1 1 48 48 ASN CB C 378 38.272 38.272 38.364 -0.092 17741 3194 1 6 . 1 1 48 48 ASN H H 378 8.176 8.176 8.071 0.105 17741 3195 1 6 . 1 1 49 49 HIS N N 379 121.459 121.459 118.593 2.866 17741 3196 1 6 . 1 1 49 49 HIS HA H 379 4.129 4.129 4.283 -0.154 17741 3197 1 6 . 1 1 49 49 HIS C C 379 175.858 175.858 176.009 -0.151 17741 3198 1 6 . 1 1 49 49 HIS CA C 379 59.234 59.234 58.701 0.533 17741 3199 1 6 . 1 1 49 49 HIS CB C 379 29.473 29.473 29.836 -0.363 17741 3200 1 6 . 1 1 49 49 HIS H H 379 8.138 8.138 8.127 0.011 17741 3201 1 6 . 1 1 50 50 LYS N N 380 115.130 115.130 116.279 -1.149 17741 3202 1 6 . 1 1 50 50 LYS HA H 380 3.797 3.797 4.067 -0.270 17741 3203 1 6 . 1 1 50 50 LYS C C 380 175.468 175.468 175.617 -0.149 17741 3204 1 6 . 1 1 50 50 LYS CA C 380 54.085 54.085 55.451 -1.366 17741 3205 1 6 . 1 1 50 50 LYS CB C 380 30.887 30.887 32.846 -1.959 17741 3206 1 6 . 1 1 50 50 LYS H H 380 7.552 7.552 7.485 0.067 17741 3207 1 6 . 1 1 51 51 ASN N N 381 116.632 116.632 116.898 -0.266 17741 3208 1 6 . 1 1 51 51 ASN HA H 381 4.264 4.264 4.303 -0.039 17741 3209 1 6 . 1 1 51 51 ASN C C 381 174.332 174.332 174.125 0.207 17741 3210 1 6 . 1 1 51 51 ASN CA C 381 54.189 54.189 54.138 0.051 17741 3211 1 6 . 1 1 51 51 ASN CB C 381 37.343 37.343 37.457 -0.114 17741 3212 1 6 . 1 1 51 51 ASN H H 381 7.715 7.715 7.904 -0.189 17741 3213 1 6 . 1 1 52 52 ARG N N 382 117.701 117.701 118.439 -0.738 17741 3214 1 6 . 1 1 52 52 ARG HA H 382 4.583 4.583 4.564 0.019 17741 3215 1 6 . 1 1 52 52 ARG C C 382 176.172 176.172 175.966 0.206 17741 3216 1 6 . 1 1 52 52 ARG CA C 382 54.167 54.167 54.054 0.113 17741 3217 1 6 . 1 1 52 52 ARG CB C 382 31.882 31.882 31.154 0.728 17741 3218 1 6 . 1 1 52 52 ARG H H 382 8.465 8.465 8.117 0.348 17741 3219 1 6 . 1 1 53 53 THR N N 383 114.338 114.338 118.327 -3.989 17741 3220 1 6 . 1 1 53 53 THR HA H 383 4.208 4.208 4.230 -0.022 17741 3221 1 6 . 1 1 53 53 THR C C 383 174.496 174.496 175.668 -1.172 17741 3222 1 6 . 1 1 53 53 THR CA C 383 62.345 62.345 64.409 -2.064 17741 3223 1 6 . 1 1 53 53 THR CB C 383 69.699 69.699 69.076 0.623 17741 3224 1 6 . 1 1 53 53 THR H H 383 8.274 8.274 8.585 -0.311 17741 3225 1 6 . 1 1 54 54 ASN N N 384 119.031 119.031 119.854 -0.823 17741 3226 1 6 . 1 1 54 54 ASN HA H 384 4.607 4.607 4.819 -0.212 17741 3227 1 6 . 1 1 54 54 ASN C C 384 174.829 174.829 173.535 1.294 17741 3228 1 6 . 1 1 54 54 ASN CA C 384 53.155 53.155 52.997 0.158 17741 3229 1 6 . 1 1 54 54 ASN CB C 384 37.871 37.871 38.013 -0.142 17741 3230 1 6 . 1 1 54 54 ASN H H 384 8.457 8.457 8.300 0.157 17741 3231 1 6 . 1 1 55 55 MET N N 385 119.922 119.922 119.592 0.330 17741 3232 1 6 . 1 1 55 55 MET HA H 385 4.558 4.558 4.686 -0.128 17741 3233 1 6 . 1 1 55 55 MET C C 385 174.921 174.921 175.201 -0.280 17741 3234 1 6 . 1 1 55 55 MET CA C 385 55.271 55.271 54.311 0.960 17741 3235 1 6 . 1 1 55 55 MET CB C 385 30.991 30.991 33.798 -2.807 17741 3236 1 6 . 1 1 55 55 MET H H 385 8.073 8.073 7.268 0.805 17741 3237 1 6 . 1 1 56 56 THR N N 386 113.771 113.771 117.146 -3.375 17741 3238 1 6 . 1 1 56 56 THR HA H 386 4.693 4.693 4.624 0.069 17741 3239 1 6 . 1 1 56 56 THR C C 386 175.459 175.459 174.330 1.129 17741 3240 1 6 . 1 1 56 56 THR CA C 386 59.043 59.043 59.575 -0.532 17741 3241 1 6 . 1 1 56 56 THR CB C 386 72.393 72.393 71.844 0.549 17741 3242 1 6 . 1 1 56 56 THR H H 386 7.076 7.076 8.297 -1.221 17741 3243 1 6 . 1 1 57 57 TYR N N 387 123.521 123.521 122.465 1.056 17741 3244 1 6 . 1 1 57 57 TYR HA H 387 4.127 4.127 4.195 -0.068 17741 3245 1 6 . 1 1 57 57 TYR C C 387 177.432 177.432 177.124 0.308 17741 3246 1 6 . 1 1 57 57 TYR CA C 387 62.527 62.527 61.678 0.849 17741 3247 1 6 . 1 1 57 57 TYR CB C 387 37.289 37.289 38.869 -1.580 17741 3248 1 6 . 1 1 57 57 TYR H H 387 9.726 9.726 8.956 0.770 17741 3249 1 6 . 1 1 58 58 GLU N N 388 121.083 121.083 119.357 1.726 17741 3250 1 6 . 1 1 58 58 GLU HA H 388 3.825 3.825 3.748 0.077 17741 3251 1 6 . 1 1 58 58 GLU C C 388 179.225 179.225 178.734 0.491 17741 3252 1 6 . 1 1 58 58 GLU CA C 388 60.476 60.476 59.877 0.599 17741 3253 1 6 . 1 1 58 58 GLU CB C 388 29.087 29.087 29.135 -0.048 17741 3254 1 6 . 1 1 58 58 GLU H H 388 8.843 8.843 8.208 0.635 17741 3255 1 6 . 1 1 59 59 LYS N N 389 119.209 119.209 118.521 0.688 17741 3256 1 6 . 1 1 59 59 LYS HA H 389 3.971 3.971 3.989 -0.018 17741 3257 1 6 . 1 1 59 59 LYS C C 389 179.944 179.944 179.096 0.848 17741 3258 1 6 . 1 1 59 59 LYS CA C 389 59.897 59.897 58.951 0.946 17741 3259 1 6 . 1 1 59 59 LYS CB C 389 33.359 33.359 32.103 1.256 17741 3260 1 6 . 1 1 59 59 LYS H H 389 7.605 7.605 7.420 0.185 17741 3261 1 6 . 1 1 60 60 MET N N 390 122.401 122.401 120.633 1.768 17741 3262 1 6 . 1 1 60 60 MET HA H 390 3.944 3.944 3.930 0.014 17741 3263 1 6 . 1 1 60 60 MET C C 390 177.716 177.716 177.403 0.313 17741 3264 1 6 . 1 1 60 60 MET CA C 390 59.547 59.547 59.055 0.492 17741 3265 1 6 . 1 1 60 60 MET CB C 390 33.315 33.315 32.327 0.988 17741 3266 1 6 . 1 1 60 60 MET H H 390 8.229 8.229 7.686 0.543 17741 3267 1 6 . 1 1 61 61 SER N N 391 114.652 114.652 114.831 -0.179 17741 3268 1 6 . 1 1 61 61 SER HA H 391 3.771 3.771 3.715 0.056 17741 3269 1 6 . 1 1 61 61 SER C C 391 176.449 176.449 176.172 0.277 17741 3270 1 6 . 1 1 61 61 SER CA C 391 61.554 61.554 61.665 -0.111 17741 3271 1 6 . 1 1 61 61 SER CB C 391 62.278 62.278 62.796 -0.518 17741 3272 1 6 . 1 1 61 61 SER H H 391 8.829 8.829 8.255 0.574 17741 3273 1 6 . 1 1 62 62 ARG N N 392 122.213 122.213 120.127 2.086 17741 3274 1 6 . 1 1 62 62 ARG HA H 392 3.945 3.945 3.800 0.145 17741 3275 1 6 . 1 1 62 62 ARG C C 392 178.600 178.600 178.335 0.265 17741 3276 1 6 . 1 1 62 62 ARG CA C 392 59.571 59.571 58.573 0.998 17741 3277 1 6 . 1 1 62 62 ARG CB C 392 29.914 29.914 29.170 0.744 17741 3278 1 6 . 1 1 62 62 ARG H H 392 7.413 7.413 7.956 -0.543 17741 3279 1 6 . 1 1 63 63 ALA N N 393 122.327 122.327 121.986 0.341 17741 3280 1 6 . 1 1 63 63 ALA HA H 393 4.157 4.157 3.748 0.409 17741 3281 1 6 . 1 1 63 63 ALA C C 393 180.147 180.147 179.112 1.035 17741 3282 1 6 . 1 1 63 63 ALA CA C 393 54.749 54.749 54.537 0.212 17741 3283 1 6 . 1 1 63 63 ALA CB C 393 18.529 18.529 17.905 0.624 17741 3284 1 6 . 1 1 63 63 ALA H H 393 7.256 7.256 7.218 0.038 17741 3285 1 6 . 1 1 64 64 LEU N N 394 117.582 117.582 117.944 -0.362 17741 3286 1 6 . 1 1 64 64 LEU HA H 394 3.769 3.769 3.477 0.292 17741 3287 1 6 . 1 1 64 64 LEU C C 394 178.139 178.139 178.766 -0.627 17741 3288 1 6 . 1 1 64 64 LEU CA C 394 58.012 58.012 57.287 0.725 17741 3289 1 6 . 1 1 64 64 LEU CB C 394 41.396 41.396 41.192 0.204 17741 3290 1 6 . 1 1 64 64 LEU H H 394 7.768 7.768 7.501 0.267 17741 3291 1 6 . 1 1 65 65 ARG N N 395 116.204 116.204 116.648 -0.444 17741 3292 1 6 . 1 1 65 65 ARG HA H 395 3.445 3.445 3.238 0.207 17741 3293 1 6 . 1 1 65 65 ARG C C 395 179.423 179.423 179.311 0.112 17741 3294 1 6 . 1 1 65 65 ARG CA C 395 58.829 58.829 58.486 0.343 17741 3295 1 6 . 1 1 65 65 ARG CB C 395 29.776 29.776 29.467 0.309 17741 3296 1 6 . 1 1 65 65 ARG H H 395 7.595 7.595 8.245 -0.650 17741 3297 1 6 . 1 1 66 66 HIS N N 396 118.573 118.573 120.973 -2.400 17741 3298 1 6 . 1 1 66 66 HIS HA H 396 4.401 4.401 4.374 0.027 17741 3299 1 6 . 1 1 66 66 HIS C C 396 177.218 177.218 177.371 -0.153 17741 3300 1 6 . 1 1 66 66 HIS CA C 396 58.821 58.821 58.892 -0.071 17741 3301 1 6 . 1 1 66 66 HIS CB C 396 29.753 29.753 29.658 0.095 17741 3302 1 6 . 1 1 66 66 HIS H H 396 7.362 7.362 7.708 -0.346 17741 3303 1 6 . 1 1 67 67 TYR N N 397 115.773 115.773 119.191 -3.418 17741 3304 1 6 . 1 1 67 67 TYR HA H 397 4.259 4.259 4.069 0.190 17741 3305 1 6 . 1 1 67 67 TYR C C 397 178.802 178.802 178.216 0.586 17741 3306 1 6 . 1 1 67 67 TYR CA C 397 60.329 60.329 59.755 0.573 17741 3307 1 6 . 1 1 67 67 TYR CB C 397 37.379 37.379 36.621 0.758 17741 3308 1 6 . 1 1 67 67 TYR H H 397 7.568 7.568 7.936 -0.368 17741 3309 1 6 . 1 1 68 68 TYR N N 398 121.825 121.825 118.077 3.748 17741 3310 1 6 . 1 1 68 68 TYR HA H 398 5.413 5.413 4.868 0.545 17741 3311 1 6 . 1 1 68 68 TYR C C 398 181.169 181.169 178.893 2.276 17741 3312 1 6 . 1 1 68 68 TYR CA C 398 57.775 57.775 58.913 -1.138 17741 3313 1 6 . 1 1 68 68 TYR CB C 398 36.972 36.972 37.224 -0.252 17741 3314 1 6 . 1 1 68 68 TYR H H 398 8.116 8.116 7.582 0.534 17741 3315 1 6 . 1 1 69 69 LYS N N 399 120.934 120.934 119.788 1.146 17741 3316 1 6 . 1 1 69 69 LYS HA H 399 4.127 4.127 4.160 -0.033 17741 3317 1 6 . 1 1 69 69 LYS C C 399 177.928 177.928 177.594 0.334 17741 3318 1 6 . 1 1 69 69 LYS CA C 399 58.912 58.912 58.954 -0.042 17741 3319 1 6 . 1 1 69 69 LYS CB C 399 32.188 32.188 32.224 -0.036 17741 3320 1 6 . 1 1 69 69 LYS H H 399 7.771 7.771 7.729 0.042 17741 3321 1 6 . 1 1 70 70 LEU N N 400 116.022 116.022 117.672 -1.650 17741 3322 1 6 . 1 1 70 70 LEU HA H 400 4.291 4.291 4.367 -0.076 17741 3323 1 6 . 1 1 70 70 LEU C C 400 175.827 175.827 176.022 -0.195 17741 3324 1 6 . 1 1 70 70 LEU CA C 400 54.675 54.675 54.198 0.477 17741 3325 1 6 . 1 1 70 70 LEU CB C 400 43.081 43.081 41.013 2.068 17741 3326 1 6 . 1 1 70 70 LEU H H 400 7.144 7.144 7.491 -0.347 17741 3327 1 6 . 1 1 71 71 ASN N N 401 115.201 115.201 115.455 -0.254 17741 3328 1 6 . 1 1 71 71 ASN HA H 401 4.352 4.352 4.377 -0.025 17741 3329 1 6 . 1 1 71 71 ASN C C 401 173.517 173.517 174.427 -0.910 17741 3330 1 6 . 1 1 71 71 ASN CA C 401 54.602 54.602 54.469 0.133 17741 3331 1 6 . 1 1 71 71 ASN CB C 401 37.381 37.381 37.009 0.372 17741 3332 1 6 . 1 1 71 71 ASN H H 401 8.047 8.047 7.618 0.429 17741 3333 1 6 . 1 1 72 72 ILE N N 402 113.907 113.907 114.612 -0.705 17741 3334 1 6 . 1 1 72 72 ILE HA H 402 4.059 4.059 4.002 0.057 17741 3335 1 6 . 1 1 72 72 ILE C C 402 176.279 176.279 175.506 0.773 17741 3336 1 6 . 1 1 72 72 ILE CA C 402 63.797 63.797 62.550 1.247 17741 3337 1 6 . 1 1 72 72 ILE CB C 402 40.395 40.395 39.606 0.789 17741 3338 1 6 . 1 1 72 72 ILE H H 402 7.986 7.986 8.387 -0.401 17741 3339 1 6 . 1 1 73 73 ILE N N 403 116.766 116.766 116.172 0.594 17741 3340 1 6 . 1 1 73 73 ILE HA H 403 5.042 5.042 4.649 0.393 17741 3341 1 6 . 1 1 73 73 ILE C C 403 173.945 173.945 174.239 -0.294 17741 3342 1 6 . 1 1 73 73 ILE CA C 403 59.247 59.247 59.433 -0.186 17741 3343 1 6 . 1 1 73 73 ILE CB C 403 43.414 43.414 41.908 1.506 17741 3344 1 6 . 1 1 73 73 ILE H H 403 7.042 7.042 7.296 -0.254 17741 3345 1 6 . 1 1 74 74 ARG N N 404 123.256 123.256 121.698 1.558 17741 3346 1 6 . 1 1 74 74 ARG HA H 404 4.751 4.751 4.571 0.180 17741 3347 1 6 . 1 1 74 74 ARG C C 404 174.757 174.757 173.825 0.932 17741 3348 1 6 . 1 1 74 74 ARG CA C 404 54.274 54.274 54.537 -0.263 17741 3349 1 6 . 1 1 74 74 ARG CB C 404 34.492 34.492 33.488 1.004 17741 3350 1 6 . 1 1 74 74 ARG H H 404 8.931 8.931 9.259 -0.328 17741 3351 1 6 . 1 1 75 75 LYS N N 405 125.627 125.627 121.704 3.923 17741 3352 1 6 . 1 1 75 75 LYS HA H 405 4.076 4.076 4.435 -0.359 17741 3353 1 6 . 1 1 75 75 LYS C C 405 176.481 176.481 176.045 0.436 17741 3354 1 6 . 1 1 75 75 LYS CA C 405 56.446 56.446 53.910 2.536 17741 3355 1 6 . 1 1 75 75 LYS CB C 405 32.758 32.758 33.756 -0.998 17741 3356 1 6 . 1 1 75 75 LYS H H 405 8.294 8.294 8.154 0.140 17741 3357 1 6 . 1 1 76 76 GLU N N 406 128.187 128.187 126.074 2.113 17741 3358 1 6 . 1 1 76 76 GLU HA H 406 4.447 4.447 4.511 -0.064 17741 3359 1 6 . 1 1 76 76 GLU C C 406 174.401 174.401 175.027 -0.626 17741 3360 1 6 . 1 1 76 76 GLU CA C 406 53.751 53.751 53.397 0.354 17741 3361 1 6 . 1 1 76 76 GLU CB C 406 29.951 29.951 28.194 1.757 17741 3362 1 6 . 1 1 76 76 GLU H H 406 8.016 8.016 8.119 -0.103 17741 3363 1 6 . 1 1 77 77 PRO HA H 407 4.288 4.288 4.344 -0.056 17741 3364 1 6 . 1 1 77 77 PRO C C 407 177.654 177.654 176.913 0.741 17741 3365 1 6 . 1 1 77 77 PRO CA C 407 63.433 63.433 63.052 0.381 17741 3366 1 6 . 1 1 77 77 PRO CB C 407 32.152 32.152 31.105 1.047 17741 3367 1 6 . 1 1 78 78 GLY N N 408 109.679 109.679 113.184 -3.505 17741 3368 1 6 . 1 1 78 78 GLY C C 408 173.976 173.976 174.327 -0.351 17741 3369 1 6 . 1 1 78 78 GLY CA C 408 45.539 45.539 44.857 0.682 17741 3370 1 6 . 1 1 78 78 GLY H H 408 8.514 8.514 8.472 0.042 17741 3371 1 6 . 1 1 79 79 GLN N N 409 116.897 116.897 120.314 -3.417 17741 3372 1 6 . 1 1 79 79 GLN HA H 409 4.489 4.489 4.333 0.156 17741 3373 1 6 . 1 1 79 79 GLN C C 409 175.371 175.371 175.983 -0.612 17741 3374 1 6 . 1 1 79 79 GLN CA C 409 54.472 54.472 55.532 -1.060 17741 3375 1 6 . 1 1 79 79 GLN CB C 409 31.301 31.301 29.268 2.033 17741 3376 1 6 . 1 1 79 79 GLN H H 409 7.572 7.572 8.600 -1.028 17741 3377 1 6 . 1 1 80 80 ARG N N 410 120.458 120.458 119.292 1.166 17741 3378 1 6 . 1 1 80 80 ARG HA H 410 4.275 4.275 4.238 0.037 17741 3379 1 6 . 1 1 80 80 ARG C C 410 176.227 176.227 177.265 -1.038 17741 3380 1 6 . 1 1 80 80 ARG CA C 410 56.891 56.891 57.879 -0.988 17741 3381 1 6 . 1 1 80 80 ARG CB C 410 31.475 31.475 29.812 1.663 17741 3382 1 6 . 1 1 80 80 ARG H H 410 8.254 8.254 8.504 -0.250 17741 3383 1 6 . 1 1 81 81 LEU N N 411 119.424 119.424 121.504 -2.080 17741 3384 1 6 . 1 1 81 81 LEU HA H 411 4.048 4.048 4.602 -0.554 17741 3385 1 6 . 1 1 81 81 LEU C C 411 173.277 173.277 175.261 -1.984 17741 3386 1 6 . 1 1 81 81 LEU CA C 411 55.111 55.111 53.627 1.484 17741 3387 1 6 . 1 1 81 81 LEU CB C 411 40.298 40.298 41.274 -0.976 17741 3388 1 6 . 1 1 81 81 LEU H H 411 8.467 8.467 7.965 0.502 17741 3389 1 6 . 1 1 82 82 LEU N N 412 119.126 119.126 121.916 -2.790 17741 3390 1 6 . 1 1 82 82 LEU HA H 412 5.036 5.036 4.713 0.323 17741 3391 1 6 . 1 1 82 82 LEU C C 412 175.323 175.323 174.537 0.786 17741 3392 1 6 . 1 1 82 82 LEU CA C 412 53.175 53.175 53.488 -0.313 17741 3393 1 6 . 1 1 82 82 LEU CB C 412 45.482 45.482 43.147 2.335 17741 3394 1 6 . 1 1 82 82 LEU H H 412 6.769 6.769 7.140 -0.371 17741 3395 1 6 . 1 1 83 83 PHE N N 413 122.107 122.107 123.704 -1.597 17741 3396 1 6 . 1 1 83 83 PHE HA H 413 4.848 4.848 4.913 -0.065 17741 3397 1 6 . 1 1 83 83 PHE C C 413 172.764 172.764 173.652 -0.888 17741 3398 1 6 . 1 1 83 83 PHE CA C 413 55.848 55.848 56.217 -0.369 17741 3399 1 6 . 1 1 83 83 PHE CB C 413 44.675 44.675 43.057 1.618 17741 3400 1 6 . 1 1 83 83 PHE H H 413 8.648 8.648 9.031 -0.384 17741 3401 1 6 . 1 1 84 84 ARG N N 414 119.466 119.466 121.808 -2.342 17741 3402 1 6 . 1 1 84 84 ARG HA H 414 5.578 5.578 5.410 0.168 17741 3403 1 6 . 1 1 84 84 ARG C C 414 177.476 177.476 175.252 2.224 17741 3404 1 6 . 1 1 84 84 ARG CA C 414 54.198 54.198 54.184 0.014 17741 3405 1 6 . 1 1 84 84 ARG CB C 414 36.128 36.128 33.862 2.266 17741 3406 1 6 . 1 1 84 84 ARG H H 414 9.117 9.117 8.573 0.544 17741 3407 1 6 . 1 1 85 85 PHE N N 415 124.357 124.357 127.255 -2.898 17741 3408 1 6 . 1 1 85 85 PHE HA H 415 5.037 5.037 4.710 0.327 17741 3409 1 6 . 1 1 85 85 PHE C C 415 176.084 176.084 176.111 -0.027 17741 3410 1 6 . 1 1 85 85 PHE CA C 415 59.719 59.719 60.501 -0.782 17741 3411 1 6 . 1 1 85 85 PHE CB C 415 40.812 40.812 39.193 1.619 17741 3412 1 6 . 1 1 85 85 PHE H H 415 8.984 8.984 9.610 -0.626 17741 3413 1 6 . 1 1 86 86 MET N N 416 121.301 121.301 123.523 -2.222 17741 3414 1 6 . 1 1 86 86 MET HA H 416 4.670 4.670 4.209 0.461 17741 3415 1 6 . 1 1 86 86 MET C C 416 176.543 176.543 176.661 -0.118 17741 3416 1 6 . 1 1 86 86 MET CA C 416 54.863 54.863 57.624 -2.761 17741 3417 1 6 . 1 1 86 86 MET CB C 416 31.711 31.711 32.575 -0.864 17741 3418 1 6 . 1 1 86 86 MET H H 416 8.671 8.671 8.491 0.180 17741 3419 1 6 . 1 1 87 87 LYS N N 417 117.759 117.759 115.169 2.590 17741 3420 1 6 . 1 1 87 87 LYS HA H 417 4.856 4.856 4.634 0.222 17741 3421 1 6 . 1 1 87 87 LYS C C 417 175.445 175.445 175.771 -0.326 17741 3422 1 6 . 1 1 87 87 LYS CA C 417 54.550 54.550 54.605 -0.056 17741 3423 1 6 . 1 1 87 87 LYS CB C 417 37.828 37.828 36.427 1.401 17741 3424 1 6 . 1 1 87 87 LYS H H 417 7.656 7.656 7.623 0.033 17741 3425 1 6 . 1 1 88 88 THR N N 418 112.506 112.506 112.594 -0.088 17741 3426 1 6 . 1 1 88 88 THR HA H 418 4.372 4.372 4.988 -0.616 17741 3427 1 6 . 1 1 88 88 THR C C 418 173.594 173.594 173.335 0.259 17741 3428 1 6 . 1 1 88 88 THR CA C 418 59.640 59.640 58.770 0.870 17741 3429 1 6 . 1 1 88 88 THR CB C 418 68.065 68.065 69.227 -1.162 17741 3430 1 6 . 1 1 88 88 THR H H 418 8.685 8.685 8.919 -0.234 17741 3431 1 6 . 1 1 89 89 PRO HA H 419 3.748 3.748 4.237 -0.489 17741 3432 1 6 . 1 1 89 89 PRO C C 419 177.219 177.219 178.711 -1.492 17741 3433 1 6 . 1 1 89 89 PRO CA C 419 65.592 65.592 66.769 -1.177 17741 3434 1 6 . 1 1 89 89 PRO CB C 419 31.739 31.739 31.822 -0.083 17741 3435 1 6 . 1 1 90 90 ASP N N 420 114.631 114.631 114.832 -0.201 17741 3436 1 6 . 1 1 90 90 ASP HA H 420 4.265 4.265 4.444 -0.179 17741 3437 1 6 . 1 1 90 90 ASP C C 420 177.962 177.962 177.737 0.225 17741 3438 1 6 . 1 1 90 90 ASP CA C 420 56.371 56.371 56.968 -0.597 17741 3439 1 6 . 1 1 90 90 ASP CB C 420 40.662 40.662 40.661 0.000 17741 3440 1 6 . 1 1 90 90 ASP H H 420 7.962 7.962 8.679 -0.717 17741 3441 1 6 . 1 1 91 91 GLU N N 421 119.501 119.501 117.288 2.213 17741 3442 1 6 . 1 1 91 91 GLU HA H 421 4.043 4.043 4.094 -0.051 17741 3443 1 6 . 1 1 91 91 GLU C C 421 178.599 178.599 178.220 0.379 17741 3444 1 6 . 1 1 91 91 GLU CA C 421 58.113 58.113 58.483 -0.370 17741 3445 1 6 . 1 1 91 91 GLU CB C 421 30.721 30.721 30.015 0.707 17741 3446 1 6 . 1 1 91 91 GLU H H 421 7.661 7.661 7.755 -0.094 17741 3447 1 6 . 1 1 92 92 ILE N N 422 120.594 120.594 119.870 0.724 17741 3448 1 6 . 1 1 92 92 ILE HA H 422 3.641 3.641 3.708 -0.067 17741 3449 1 6 . 1 1 92 92 ILE C C 422 177.752 177.752 177.886 -0.134 17741 3450 1 6 . 1 1 92 92 ILE CA C 422 62.931 62.931 64.833 -1.902 17741 3451 1 6 . 1 1 92 92 ILE CB C 422 38.185 38.185 38.078 0.108 17741 3452 1 6 . 1 1 92 92 ILE H H 422 7.861 7.861 7.778 0.083 17741 3453 1 6 . 1 1 93 93 MET N N 423 119.187 119.187 117.310 1.877 17741 3454 1 6 . 1 1 93 93 MET HA H 423 4.391 4.391 4.376 0.015 17741 3455 1 6 . 1 1 93 93 MET C C 423 176.982 176.982 176.630 0.352 17741 3456 1 6 . 1 1 93 93 MET CA C 423 56.491 56.491 57.916 -1.425 17741 3457 1 6 . 1 1 93 93 MET CB C 423 32.584 32.584 32.766 -0.182 17741 3458 1 6 . 1 1 93 93 MET H H 423 8.158 8.158 8.422 -0.264 17741 3459 1 6 . 1 1 94 94 SER N N 424 114.933 114.933 112.063 2.870 17741 3460 1 6 . 1 1 94 94 SER HA H 424 4.394 4.394 4.474 -0.080 17741 3461 1 6 . 1 1 94 94 SER C C 424 175.238 175.238 174.728 0.510 17741 3462 1 6 . 1 1 94 94 SER CA C 424 59.423 59.423 57.712 1.711 17741 3463 1 6 . 1 1 94 94 SER CB C 424 63.695 63.695 62.703 0.993 17741 3464 1 6 . 1 1 94 94 SER H H 424 7.854 7.854 7.870 -0.016 17741 3465 1 6 . 1 1 95 95 GLY N N 425 110.045 110.045 110.661 -0.616 17741 3466 1 6 . 1 1 95 95 GLY C C 425 174.194 174.194 175.926 -1.732 17741 3467 1 6 . 1 1 95 95 GLY CA C 425 45.432 45.432 45.459 -0.028 17741 3468 1 6 . 1 1 95 95 GLY H H 425 8.061 8.061 7.394 0.667 17741 3469 1 6 . 1 1 96 96 ARG N N 426 119.987 119.987 123.239 -3.252 17741 3470 1 6 . 1 1 96 96 ARG HA H 426 4.475 4.475 4.081 0.394 17741 3471 1 6 . 1 1 96 96 ARG C C 426 177.308 177.308 177.948 -0.640 17741 3472 1 6 . 1 1 96 96 ARG CA C 426 56.195 56.195 59.095 -2.900 17741 3473 1 6 . 1 1 96 96 ARG CB C 426 30.354 30.354 30.212 0.142 17741 3474 1 6 . 1 1 96 96 ARG H H 426 8.092 8.092 8.315 -0.223 17741 3475 1 6 . 1 1 97 97 THR N N 427 114.398 114.398 111.435 2.963 17741 3476 1 6 . 1 1 97 97 THR HA H 427 4.298 4.298 4.595 -0.297 17741 3477 1 6 . 1 1 97 97 THR C C 427 174.913 174.913 174.278 0.635 17741 3478 1 6 . 1 1 97 97 THR CA C 427 62.673 62.673 60.940 1.733 17741 3479 1 6 . 1 1 97 97 THR CB C 427 69.473 69.473 68.891 0.581 17741 3480 1 6 . 1 1 97 97 THR H H 427 8.319 8.319 7.581 0.738 17741 3481 1 6 . 1 1 98 98 ASP N N 428 121.983 121.983 122.976 -0.993 17741 3482 1 6 . 1 1 98 98 ASP HA H 428 4.508 4.508 4.774 -0.266 17741 3483 1 6 . 1 1 98 98 ASP C C 428 176.956 176.956 177.486 -0.530 17741 3484 1 6 . 1 1 98 98 ASP CA C 428 55.433 55.433 57.340 -1.907 17741 3485 1 6 . 1 1 98 98 ASP CB C 428 40.746 40.746 41.282 -0.536 17741 3486 1 6 . 1 1 98 98 ASP H H 428 8.488 8.488 7.941 0.547 17741 3487 1 6 . 1 1 99 99 ARG N N 429 119.821 119.821 117.888 1.933 17741 3488 1 6 . 1 1 99 99 ARG HA H 429 4.277 4.277 4.237 0.040 17741 3489 1 6 . 1 1 99 99 ARG C C 429 177.078 177.078 178.913 -1.835 17741 3490 1 6 . 1 1 99 99 ARG CA C 429 56.984 56.984 58.461 -1.477 17741 3491 1 6 . 1 1 99 99 ARG CB C 429 30.224 30.224 30.215 0.009 17741 3492 1 6 . 1 1 99 99 ARG H H 429 8.088 8.088 8.299 -0.211 17741 3493 1 6 . 1 1 100 100 LEU N N 430 120.887 120.887 121.502 -0.615 17741 3494 1 6 . 1 1 100 100 LEU HA H 430 4.176 4.176 4.229 -0.053 17741 3495 1 6 . 1 1 100 100 LEU C C 430 177.732 177.732 178.457 -0.725 17741 3496 1 6 . 1 1 100 100 LEU CA C 430 56.324 56.324 58.126 -1.802 17741 3497 1 6 . 1 1 100 100 LEU CB C 430 42.262 42.262 41.929 0.333 17741 3498 1 6 . 1 1 100 100 LEU H H 430 7.945 7.945 8.029 -0.084 17741 3499 1 6 . 1 1 101 101 GLU N N 431 119.799 119.799 116.744 3.055 17741 3500 1 6 . 1 1 101 101 GLU HA H 431 4.082 4.082 3.968 0.114 17741 3501 1 6 . 1 1 101 101 GLU C C 431 177.281 177.281 178.156 -0.875 17741 3502 1 6 . 1 1 101 101 GLU CA C 431 58.011 58.011 59.163 -1.153 17741 3503 1 6 . 1 1 101 101 GLU CB C 431 30.191 30.191 29.259 0.932 17741 3504 1 6 . 1 1 101 101 GLU H H 431 8.268 8.268 7.957 0.311 17741 3505 1 6 . 1 1 102 102 HIS N N 432 118.048 118.048 115.408 2.640 17741 3506 1 6 . 1 1 102 102 HIS HA H 432 4.584 4.584 4.501 0.083 17741 3507 1 6 . 1 1 102 102 HIS C C 432 175.678 175.678 177.402 -1.724 17741 3508 1 6 . 1 1 102 102 HIS CA C 432 56.571 56.571 58.634 -2.063 17741 3509 1 6 . 1 1 102 102 HIS CB C 432 29.352 29.352 30.737 -1.385 17741 3510 1 6 . 1 1 102 102 HIS H H 432 8.166 8.166 7.729 0.437 17741 3511 1 6 . 1 1 103 103 LEU N N 433 122.228 122.228 116.967 5.261 17741 3512 1 6 . 1 1 103 103 LEU HA H 433 4.176 4.176 4.624 -0.448 17741 3513 1 6 . 1 1 103 103 LEU C C 433 177.904 177.904 178.868 -0.964 17741 3514 1 6 . 1 1 103 103 LEU CA C 433 56.237 56.237 57.167 -0.930 17741 3515 1 6 . 1 1 103 103 LEU CB C 433 42.305 42.305 42.012 0.293 17741 3516 1 6 . 1 1 103 103 LEU H H 433 8.072 8.072 7.701 0.371 17741 3517 1 6 . 1 1 104 104 GLU N N 434 119.413 119.413 120.137 -0.724 17741 3518 1 6 . 1 1 104 104 GLU HA H 434 4.309 4.309 4.195 0.114 17741 3519 1 6 . 1 1 104 104 GLU C C 434 176.560 176.560 178.525 -1.965 17741 3520 1 6 . 1 1 104 104 GLU CA C 434 57.098 57.098 57.738 -0.640 17741 3521 1 6 . 1 1 104 104 GLU CB C 434 30.301 30.301 28.939 1.361 17741 3522 1 6 . 1 1 104 104 GLU H H 434 8.331 8.331 8.815 -0.484 17741 3523 1 6 . 1 1 105 105 SER N N 435 115.859 115.859 114.156 1.703 17741 3524 1 6 . 1 1 105 105 SER HA H 435 4.443 4.443 4.100 0.343 17741 3525 1 6 . 1 1 105 105 SER C C 435 173.630 173.630 174.574 -0.944 17741 3526 1 6 . 1 1 105 105 SER CA C 435 58.591 58.591 59.948 -1.357 17741 3527 1 6 . 1 1 105 105 SER CB C 435 64.066 64.066 62.918 1.148 17741 3528 1 6 . 1 1 105 105 SER H H 435 7.976 7.976 7.825 0.151 17741 3529 1 7 . 1 1 5 5 ARG N N 335 123.531 123.531 123.254 0.277 17741 3530 1 7 . 1 1 5 5 ARG HA H 335 4.411 4.411 3.973 0.438 17741 3531 1 7 . 1 1 5 5 ARG C C 335 176.473 176.473 176.668 -0.195 17741 3532 1 7 . 1 1 5 5 ARG CA C 335 56.571 56.571 56.073 0.498 17741 3533 1 7 . 1 1 5 5 ARG CB C 335 31.352 31.352 30.800 0.552 17741 3534 1 7 . 1 1 5 5 ARG H H 335 9.347 9.347 8.402 0.945 17741 3535 1 7 . 1 1 6 6 LEU N N 336 121.545 121.545 123.449 -1.904 17741 3536 1 7 . 1 1 6 6 LEU HA H 336 4.293 4.293 4.245 0.048 17741 3537 1 7 . 1 1 6 6 LEU C C 336 178.837 178.837 177.676 1.161 17741 3538 1 7 . 1 1 6 6 LEU CA C 336 54.652 54.652 55.271 -0.619 17741 3539 1 7 . 1 1 6 6 LEU CB C 336 43.365 43.365 41.725 1.640 17741 3540 1 7 . 1 1 6 6 LEU H H 336 8.556 8.556 8.195 0.361 17741 3541 1 7 . 1 1 7 7 LEU HA H 337 3.441 3.441 2.845 0.596 17741 3542 1 7 . 1 1 7 7 LEU C C 337 177.908 177.908 178.281 -0.373 17741 3543 1 7 . 1 1 7 7 LEU CA C 337 58.771 58.771 58.682 0.089 17741 3544 1 7 . 1 1 7 7 LEU CB C 337 40.192 40.192 41.792 -1.600 17741 3545 1 7 . 1 1 8 8 TRP N N 338 114.624 114.624 116.471 -1.847 17741 3546 1 7 . 1 1 8 8 TRP HA H 338 3.785 3.785 4.257 -0.472 17741 3547 1 7 . 1 1 8 8 TRP C C 338 175.318 175.318 177.786 -2.468 17741 3548 1 7 . 1 1 8 8 TRP CA C 338 59.891 59.891 59.550 0.341 17741 3549 1 7 . 1 1 8 8 TRP CB C 338 28.359 28.359 28.128 0.231 17741 3550 1 7 . 1 1 8 8 TRP H H 338 7.515 7.515 7.285 0.230 17741 3551 1 7 . 1 1 9 9 ASP HA H 339 3.813 3.813 4.352 -0.539 17741 3552 1 7 . 1 1 9 9 ASP C C 339 177.355 177.355 177.821 -0.466 17741 3553 1 7 . 1 1 9 9 ASP CA C 339 56.291 56.291 56.940 -0.649 17741 3554 1 7 . 1 1 9 9 ASP CB C 339 41.591 41.591 40.162 1.429 17741 3555 1 7 . 1 1 10 10 TYR N N 340 120.906 120.906 120.576 0.330 17741 3556 1 7 . 1 1 10 10 TYR HA H 340 3.897 3.897 4.059 -0.162 17741 3557 1 7 . 1 1 10 10 TYR C C 340 177.011 177.011 177.531 -0.520 17741 3558 1 7 . 1 1 10 10 TYR CA C 340 61.913 61.913 60.762 1.151 17741 3559 1 7 . 1 1 10 10 TYR CB C 340 39.482 39.482 38.552 0.930 17741 3560 1 7 . 1 1 10 10 TYR H H 340 8.005 8.005 7.879 0.126 17741 3561 1 7 . 1 1 11 11 VAL N N 341 115.016 115.016 117.984 -2.968 17741 3562 1 7 . 1 1 11 11 VAL HA H 341 2.992 2.992 3.112 -0.120 17741 3563 1 7 . 1 1 11 11 VAL C C 341 176.751 176.751 177.023 -0.272 17741 3564 1 7 . 1 1 11 11 VAL CA C 341 66.910 66.910 66.160 0.750 17741 3565 1 7 . 1 1 11 11 VAL CB C 341 30.968 30.968 30.899 0.069 17741 3566 1 7 . 1 1 11 11 VAL H H 341 8.287 8.287 7.648 0.639 17741 3567 1 7 . 1 1 12 12 TYR N N 342 119.030 119.030 119.455 -0.425 17741 3568 1 7 . 1 1 12 12 TYR HA H 342 3.641 3.641 3.872 -0.231 17741 3569 1 7 . 1 1 12 12 TYR C C 342 178.659 178.659 177.851 0.808 17741 3570 1 7 . 1 1 12 12 TYR CA C 342 63.010 63.010 62.217 0.793 17741 3571 1 7 . 1 1 12 12 TYR CB C 342 38.212 38.212 37.420 0.792 17741 3572 1 7 . 1 1 12 12 TYR H H 342 7.673 7.673 7.663 0.010 17741 3573 1 7 . 1 1 13 13 GLN N N 343 119.113 119.113 119.174 -0.061 17741 3574 1 7 . 1 1 13 13 GLN HA H 343 3.828 3.828 4.110 -0.282 17741 3575 1 7 . 1 1 13 13 GLN C C 343 179.955 179.955 178.015 1.940 17741 3576 1 7 . 1 1 13 13 GLN CA C 343 58.871 58.871 58.560 0.311 17741 3577 1 7 . 1 1 13 13 GLN CB C 343 27.514 27.514 27.727 -0.212 17741 3578 1 7 . 1 1 13 13 GLN H H 343 8.161 8.161 7.656 0.505 17741 3579 1 7 . 1 1 14 14 LEU N N 344 121.401 121.401 119.125 2.276 17741 3580 1 7 . 1 1 14 14 LEU HA H 344 3.611 3.611 3.828 -0.217 17741 3581 1 7 . 1 1 14 14 LEU C C 344 179.789 179.789 178.479 1.310 17741 3582 1 7 . 1 1 14 14 LEU CA C 344 58.043 58.043 56.592 1.451 17741 3583 1 7 . 1 1 14 14 LEU CB C 344 41.598 41.598 41.332 0.266 17741 3584 1 7 . 1 1 14 14 LEU H H 344 7.825 7.825 7.277 0.548 17741 3585 1 7 . 1 1 15 15 LEU N N 345 116.853 116.853 117.661 -0.808 17741 3586 1 7 . 1 1 15 15 LEU HA H 345 3.504 3.504 3.833 -0.329 17741 3587 1 7 . 1 1 15 15 LEU C C 345 178.149 178.149 179.250 -1.101 17741 3588 1 7 . 1 1 15 15 LEU CA C 345 56.473 56.473 56.443 0.030 17741 3589 1 7 . 1 1 15 15 LEU CB C 345 41.322 41.322 40.661 0.661 17741 3590 1 7 . 1 1 15 15 LEU H H 345 7.503 7.503 7.878 -0.375 17741 3591 1 7 . 1 1 16 16 SER N N 346 112.491 112.491 113.065 -0.574 17741 3592 1 7 . 1 1 16 16 SER HA H 346 4.522 4.522 4.532 -0.010 17741 3593 1 7 . 1 1 16 16 SER C C 346 172.441 172.441 175.059 -2.618 17741 3594 1 7 . 1 1 16 16 SER CA C 346 58.859 58.859 60.389 -1.530 17741 3595 1 7 . 1 1 16 16 SER CB C 346 63.987 63.987 63.802 0.185 17741 3596 1 7 . 1 1 16 16 SER H H 346 7.277 7.277 7.711 -0.434 17741 3597 1 7 . 1 1 17 17 ASP N N 347 122.161 122.161 121.042 1.119 17741 3598 1 7 . 1 1 17 17 ASP HA H 347 4.966 4.966 4.861 0.105 17741 3599 1 7 . 1 1 17 17 ASP C C 347 175.692 175.692 177.009 -1.317 17741 3600 1 7 . 1 1 17 17 ASP CA C 347 52.805 52.805 54.111 -1.306 17741 3601 1 7 . 1 1 17 17 ASP CB C 347 43.392 43.392 43.007 0.385 17741 3602 1 7 . 1 1 17 17 ASP H H 347 7.345 7.345 7.781 -0.436 17741 3603 1 7 . 1 1 18 18 SER N N 348 120.164 120.164 122.468 -2.304 17741 3604 1 7 . 1 1 18 18 SER HA H 348 4.356 4.356 4.263 0.093 17741 3605 1 7 . 1 1 18 18 SER C C 348 176.200 176.200 176.075 0.125 17741 3606 1 7 . 1 1 18 18 SER CA C 348 61.207 61.207 60.848 0.359 17741 3607 1 7 . 1 1 18 18 SER CB C 348 63.226 63.226 63.106 0.120 17741 3608 1 7 . 1 1 18 18 SER H H 348 8.686 8.686 8.760 -0.074 17741 3609 1 7 . 1 1 19 19 ARG N N 349 122.701 122.701 122.046 0.655 17741 3610 1 7 . 1 1 19 19 ARG HA H 349 4.105 4.105 3.933 0.172 17741 3611 1 7 . 1 1 19 19 ARG C C 349 178.120 178.120 176.610 1.510 17741 3612 1 7 . 1 1 19 19 ARG CA C 349 58.604 58.604 58.006 0.598 17741 3613 1 7 . 1 1 19 19 ARG CB C 349 29.854 29.854 29.056 0.798 17741 3614 1 7 . 1 1 19 19 ARG H H 349 8.597 8.597 7.617 0.980 17741 3615 1 7 . 1 1 20 20 TYR N N 350 116.257 116.257 117.084 -0.827 17741 3616 1 7 . 1 1 20 20 TYR HA H 350 4.884 4.884 4.643 0.241 17741 3617 1 7 . 1 1 20 20 TYR C C 350 176.977 176.977 175.553 1.424 17741 3618 1 7 . 1 1 20 20 TYR CA C 350 58.758 58.758 56.891 1.867 17741 3619 1 7 . 1 1 20 20 TYR CB C 350 37.602 37.602 38.524 -0.922 17741 3620 1 7 . 1 1 20 20 TYR H H 350 8.285 8.285 7.398 0.887 17741 3621 1 7 . 1 1 21 21 GLU N N 351 120.807 120.807 120.618 0.189 17741 3622 1 7 . 1 1 21 21 GLU HA H 351 4.454 4.454 4.456 -0.002 17741 3623 1 7 . 1 1 21 21 GLU C C 351 176.277 176.277 177.301 -1.024 17741 3624 1 7 . 1 1 21 21 GLU CA C 351 59.135 59.135 57.938 1.197 17741 3625 1 7 . 1 1 21 21 GLU CB C 351 29.674 29.674 28.709 0.965 17741 3626 1 7 . 1 1 21 21 GLU H H 351 7.527 7.527 7.876 -0.349 17741 3627 1 7 . 1 1 22 22 ASN N N 352 114.501 114.501 115.783 -1.282 17741 3628 1 7 . 1 1 22 22 ASN HA H 352 4.471 4.471 4.529 -0.058 17741 3629 1 7 . 1 1 22 22 ASN C C 352 174.426 174.426 175.894 -1.468 17741 3630 1 7 . 1 1 22 22 ASN CA C 352 54.002 54.002 54.833 -0.831 17741 3631 1 7 . 1 1 22 22 ASN CB C 352 36.943 36.943 38.527 -1.584 17741 3632 1 7 . 1 1 22 22 ASN H H 352 8.647 8.647 7.933 0.714 17741 3633 1 7 . 1 1 23 23 PHE N N 353 115.528 115.528 115.614 -0.086 17741 3634 1 7 . 1 1 23 23 PHE HA H 353 4.751 4.751 4.763 -0.012 17741 3635 1 7 . 1 1 23 23 PHE C C 353 176.374 176.374 175.818 0.556 17741 3636 1 7 . 1 1 23 23 PHE CA C 353 59.617 59.617 58.065 1.552 17741 3637 1 7 . 1 1 23 23 PHE CB C 353 41.431 41.431 40.961 0.471 17741 3638 1 7 . 1 1 23 23 PHE H H 353 8.578 8.578 7.711 0.867 17741 3639 1 7 . 1 1 24 24 ILE N N 354 120.520 120.520 118.295 2.225 17741 3640 1 7 . 1 1 24 24 ILE HA H 354 5.063 5.063 4.991 0.072 17741 3641 1 7 . 1 1 24 24 ILE C C 354 170.331 170.331 172.974 -2.643 17741 3642 1 7 . 1 1 24 24 ILE CA C 354 59.835 59.835 60.736 -0.901 17741 3643 1 7 . 1 1 24 24 ILE CB C 354 40.605 40.605 41.839 -1.234 17741 3644 1 7 . 1 1 24 24 ILE H H 354 8.436 8.436 8.591 -0.155 17741 3645 1 7 . 1 1 25 25 ARG N N 355 121.401 121.401 121.064 0.337 17741 3646 1 7 . 1 1 25 25 ARG HA H 355 4.916 4.916 4.810 0.106 17741 3647 1 7 . 1 1 25 25 ARG C C 355 175.099 175.099 174.041 1.058 17741 3648 1 7 . 1 1 25 25 ARG CA C 355 54.461 54.461 55.048 -0.588 17741 3649 1 7 . 1 1 25 25 ARG CB C 355 33.662 33.662 33.554 0.108 17741 3650 1 7 . 1 1 25 25 ARG H H 355 8.668 8.668 8.907 -0.239 17741 3651 1 7 . 1 1 26 26 TRP N N 356 122.022 122.022 123.571 -1.549 17741 3652 1 7 . 1 1 26 26 TRP HA H 356 4.894 4.894 4.869 0.025 17741 3653 1 7 . 1 1 26 26 TRP C C 356 176.606 176.606 176.904 -0.298 17741 3654 1 7 . 1 1 26 26 TRP CA C 356 57.835 57.835 57.738 0.097 17741 3655 1 7 . 1 1 26 26 TRP CB C 356 30.564 30.564 29.726 0.838 17741 3656 1 7 . 1 1 26 26 TRP H H 356 9.149 9.149 9.026 0.123 17741 3657 1 7 . 1 1 27 27 GLU N N 357 125.415 125.415 123.918 1.497 17741 3658 1 7 . 1 1 27 27 GLU HA H 357 4.686 4.686 4.537 0.149 17741 3659 1 7 . 1 1 27 27 GLU C C 357 176.709 176.709 176.419 0.290 17741 3660 1 7 . 1 1 27 27 GLU CA C 357 56.939 56.939 57.569 -0.630 17741 3661 1 7 . 1 1 27 27 GLU CB C 357 31.545 31.545 31.143 0.402 17741 3662 1 7 . 1 1 27 27 GLU H H 357 9.524 9.524 9.045 0.479 17741 3663 1 7 . 1 1 28 28 ASP N N 358 116.214 116.214 121.256 -5.042 17741 3664 1 7 . 1 1 28 28 ASP HA H 358 4.759 4.759 4.910 -0.151 17741 3665 1 7 . 1 1 28 28 ASP C C 358 176.124 176.124 175.639 0.485 17741 3666 1 7 . 1 1 28 28 ASP CA C 358 53.481 53.481 53.488 -0.007 17741 3667 1 7 . 1 1 28 28 ASP CB C 358 41.921 41.921 42.007 -0.086 17741 3668 1 7 . 1 1 28 28 ASP H H 358 7.828 7.828 8.410 -0.582 17741 3669 1 7 . 1 1 29 29 LYS N N 359 127.750 127.750 124.782 2.968 17741 3670 1 7 . 1 1 29 29 LYS HA H 359 3.162 3.162 2.645 0.517 17741 3671 1 7 . 1 1 29 29 LYS C C 359 178.683 178.683 177.548 1.135 17741 3672 1 7 . 1 1 29 29 LYS CA C 359 60.173 60.173 58.879 1.294 17741 3673 1 7 . 1 1 29 29 LYS CB C 359 32.728 32.728 32.103 0.625 17741 3674 1 7 . 1 1 29 29 LYS H H 359 9.221 9.221 8.602 0.619 17741 3675 1 7 . 1 1 30 30 GLU N N 360 119.608 119.608 117.639 1.969 17741 3676 1 7 . 1 1 30 30 GLU HA H 360 3.923 3.923 4.031 -0.108 17741 3677 1 7 . 1 1 30 30 GLU C C 360 178.598 178.598 179.118 -0.520 17741 3678 1 7 . 1 1 30 30 GLU CA C 360 59.512 59.512 58.791 0.721 17741 3679 1 7 . 1 1 30 30 GLU CB C 360 29.188 29.188 29.207 -0.019 17741 3680 1 7 . 1 1 30 30 GLU H H 360 8.343 8.343 8.283 0.060 17741 3681 1 7 . 1 1 31 31 SER N N 361 113.313 113.313 115.637 -2.324 17741 3682 1 7 . 1 1 31 31 SER HA H 361 4.485 4.485 4.388 0.097 17741 3683 1 7 . 1 1 31 31 SER C C 361 172.284 172.284 174.522 -2.238 17741 3684 1 7 . 1 1 31 31 SER CA C 361 58.745 58.745 60.066 -1.321 17741 3685 1 7 . 1 1 31 31 SER CB C 361 63.728 63.728 63.368 0.360 17741 3686 1 7 . 1 1 31 31 SER H H 361 7.466 7.466 8.566 -1.100 17741 3687 1 7 . 1 1 32 32 LYS N N 362 115.197 115.197 116.227 -1.030 17741 3688 1 7 . 1 1 32 32 LYS HA H 362 3.894 3.894 3.916 -0.022 17741 3689 1 7 . 1 1 32 32 LYS C C 362 175.489 175.489 175.215 0.274 17741 3690 1 7 . 1 1 32 32 LYS CA C 362 57.641 57.641 57.350 0.291 17741 3691 1 7 . 1 1 32 32 LYS CB C 362 29.811 29.811 30.029 -0.218 17741 3692 1 7 . 1 1 32 32 LYS H H 362 7.741 7.741 7.747 -0.006 17741 3693 1 7 . 1 1 33 33 ILE N N 363 118.359 118.359 119.792 -1.433 17741 3694 1 7 . 1 1 33 33 ILE HA H 363 5.356 5.356 4.869 0.487 17741 3695 1 7 . 1 1 33 33 ILE C C 363 177.019 177.019 176.028 0.991 17741 3696 1 7 . 1 1 33 33 ILE CA C 363 60.455 60.455 61.014 -0.559 17741 3697 1 7 . 1 1 33 33 ILE CB C 363 40.081 40.081 39.006 1.075 17741 3698 1 7 . 1 1 33 33 ILE H H 363 8.268 8.268 8.071 0.197 17741 3699 1 7 . 1 1 34 34 PHE N N 364 128.287 128.287 126.206 2.081 17741 3700 1 7 . 1 1 34 34 PHE HA H 364 5.576 5.576 5.696 -0.120 17741 3701 1 7 . 1 1 34 34 PHE C C 364 170.447 170.447 173.047 -2.600 17741 3702 1 7 . 1 1 34 34 PHE CA C 364 55.128 55.128 55.491 -0.363 17741 3703 1 7 . 1 1 34 34 PHE CB C 364 44.010 44.010 43.062 0.948 17741 3704 1 7 . 1 1 34 34 PHE H H 364 9.962 9.962 9.466 0.496 17741 3705 1 7 . 1 1 35 35 ARG N N 365 120.900 120.900 122.564 -1.664 17741 3706 1 7 . 1 1 35 35 ARG HA H 365 5.486 5.486 5.155 0.331 17741 3707 1 7 . 1 1 35 35 ARG C C 365 176.462 176.462 175.611 0.851 17741 3708 1 7 . 1 1 35 35 ARG CA C 365 53.609 53.609 53.834 -0.225 17741 3709 1 7 . 1 1 35 35 ARG CB C 365 36.518 36.518 32.984 3.534 17741 3710 1 7 . 1 1 35 35 ARG H H 365 9.427 9.427 9.309 0.118 17741 3711 1 7 . 1 1 36 36 ILE N N 366 125.534 125.534 127.958 -2.424 17741 3712 1 7 . 1 1 36 36 ILE HA H 366 4.209 4.209 4.147 0.062 17741 3713 1 7 . 1 1 36 36 ILE C C 366 173.899 173.899 175.608 -1.709 17741 3714 1 7 . 1 1 36 36 ILE CA C 366 63.033 63.033 62.931 0.102 17741 3715 1 7 . 1 1 36 36 ILE CB C 366 37.889 37.889 37.768 0.121 17741 3716 1 7 . 1 1 36 36 ILE H H 366 8.643 8.643 9.042 -0.399 17741 3717 1 7 . 1 1 37 37 VAL N N 367 129.194 129.194 127.887 1.307 17741 3718 1 7 . 1 1 37 37 VAL HA H 367 3.679 3.679 3.969 -0.290 17741 3719 1 7 . 1 1 37 37 VAL C C 367 175.919 175.919 176.271 -0.352 17741 3720 1 7 . 1 1 37 37 VAL CA C 367 64.068 64.068 64.081 -0.013 17741 3721 1 7 . 1 1 37 37 VAL CB C 367 32.884 32.884 32.488 0.396 17741 3722 1 7 . 1 1 37 37 VAL H H 367 7.841 7.841 8.434 -0.593 17741 3723 1 7 . 1 1 38 38 ASP N N 368 114.969 114.969 117.568 -2.599 17741 3724 1 7 . 1 1 38 38 ASP HA H 368 5.222 5.222 5.068 0.154 17741 3725 1 7 . 1 1 38 38 ASP C C 368 173.227 173.227 174.552 -1.325 17741 3726 1 7 . 1 1 38 38 ASP CA C 368 50.238 50.238 51.158 -0.920 17741 3727 1 7 . 1 1 38 38 ASP CB C 368 42.181 42.181 42.862 -0.681 17741 3728 1 7 . 1 1 38 38 ASP H H 368 7.316 7.316 8.065 -0.749 17741 3729 1 7 . 1 1 39 39 PRO HA H 369 3.809 3.809 4.130 -0.321 17741 3730 1 7 . 1 1 39 39 PRO C C 369 177.958 177.958 178.463 -0.505 17741 3731 1 7 . 1 1 39 39 PRO CA C 369 65.612 65.612 65.088 0.524 17741 3732 1 7 . 1 1 39 39 PRO CB C 369 31.068 31.068 31.781 -0.713 17741 3733 1 7 . 1 1 40 40 ASN N N 370 115.480 115.480 117.620 -2.140 17741 3734 1 7 . 1 1 40 40 ASN HA H 370 4.604 4.604 4.496 0.108 17741 3735 1 7 . 1 1 40 40 ASN C C 370 178.566 178.566 177.736 0.830 17741 3736 1 7 . 1 1 40 40 ASN CA C 370 56.471 56.471 56.471 0.000 17741 3737 1 7 . 1 1 40 40 ASN CB C 370 38.068 38.068 38.187 -0.119 17741 3738 1 7 . 1 1 40 40 ASN H H 370 8.094 8.094 8.044 0.050 17741 3739 1 7 . 1 1 41 41 GLY N N 371 111.371 111.371 107.862 3.509 17741 3740 1 7 . 1 1 41 41 GLY C C 371 176.018 176.018 175.677 0.341 17741 3741 1 7 . 1 1 41 41 GLY CA C 371 47.862 47.862 46.292 1.570 17741 3742 1 7 . 1 1 41 41 GLY H H 371 8.632 8.632 9.156 -0.524 17741 3743 1 7 . 1 1 42 42 LEU N N 372 122.901 122.901 122.357 0.544 17741 3744 1 7 . 1 1 42 42 LEU HA H 372 4.035 4.035 4.216 -0.181 17741 3745 1 7 . 1 1 42 42 LEU C C 372 177.704 177.704 178.601 -0.897 17741 3746 1 7 . 1 1 42 42 LEU CA C 372 57.913 57.913 57.084 0.829 17741 3747 1 7 . 1 1 42 42 LEU CB C 372 42.136 42.136 41.317 0.819 17741 3748 1 7 . 1 1 42 42 LEU H H 372 8.876 8.876 7.706 1.170 17741 3749 1 7 . 1 1 43 43 ALA N N 373 120.103 120.103 121.646 -1.543 17741 3750 1 7 . 1 1 43 43 ALA HA H 373 4.462 4.462 4.227 0.235 17741 3751 1 7 . 1 1 43 43 ALA C C 373 179.091 179.091 179.094 -0.003 17741 3752 1 7 . 1 1 43 43 ALA CA C 373 55.441 55.441 55.302 0.139 17741 3753 1 7 . 1 1 43 43 ALA CB C 373 18.098 18.098 18.593 -0.495 17741 3754 1 7 . 1 1 43 43 ALA H H 373 8.062 8.062 8.648 -0.586 17741 3755 1 7 . 1 1 44 44 ARG N N 374 118.071 118.071 118.997 -0.926 17741 3756 1 7 . 1 1 44 44 ARG HA H 374 4.117 4.117 4.113 0.004 17741 3757 1 7 . 1 1 44 44 ARG C C 374 179.414 179.414 178.270 1.144 17741 3758 1 7 . 1 1 44 44 ARG CA C 374 59.297 59.297 58.999 0.298 17741 3759 1 7 . 1 1 44 44 ARG CB C 374 30.069 30.069 29.817 0.252 17741 3760 1 7 . 1 1 44 44 ARG H H 374 7.725 7.725 7.805 -0.080 17741 3761 1 7 . 1 1 45 45 LEU N N 375 121.601 121.601 121.501 0.100 17741 3762 1 7 . 1 1 45 45 LEU HA H 375 4.015 4.015 4.202 -0.187 17741 3763 1 7 . 1 1 45 45 LEU C C 375 180.087 180.087 178.836 1.251 17741 3764 1 7 . 1 1 45 45 LEU CA C 375 58.553 58.553 58.034 0.519 17741 3765 1 7 . 1 1 45 45 LEU CB C 375 41.495 41.495 41.261 0.234 17741 3766 1 7 . 1 1 45 45 LEU H H 375 7.877 7.877 7.545 0.332 17741 3767 1 7 . 1 1 46 46 TRP N N 376 121.543 121.543 121.271 0.272 17741 3768 1 7 . 1 1 46 46 TRP HA H 376 4.333 4.333 3.886 0.447 17741 3769 1 7 . 1 1 46 46 TRP C C 376 177.572 177.572 178.332 -0.760 17741 3770 1 7 . 1 1 46 46 TRP CA C 376 59.091 59.091 59.382 -0.291 17741 3771 1 7 . 1 1 46 46 TRP CB C 376 30.305 30.305 29.629 0.676 17741 3772 1 7 . 1 1 46 46 TRP H H 376 8.615 8.615 8.641 -0.026 17741 3773 1 7 . 1 1 47 47 GLY N N 377 105.532 105.532 105.712 -0.180 17741 3774 1 7 . 1 1 47 47 GLY C C 377 176.057 176.057 175.978 0.079 17741 3775 1 7 . 1 1 47 47 GLY CA C 377 48.035 48.035 46.958 1.077 17741 3776 1 7 . 1 1 47 47 GLY H H 377 8.877 8.877 8.822 0.055 17741 3777 1 7 . 1 1 48 48 ASN N N 378 119.996 119.996 120.730 -0.734 17741 3778 1 7 . 1 1 48 48 ASN HA H 378 4.403 4.403 4.366 0.037 17741 3779 1 7 . 1 1 48 48 ASN C C 378 178.112 178.112 177.512 0.600 17741 3780 1 7 . 1 1 48 48 ASN CA C 378 56.229 56.229 56.338 -0.109 17741 3781 1 7 . 1 1 48 48 ASN CB C 378 38.272 38.272 38.553 -0.281 17741 3782 1 7 . 1 1 48 48 ASN H H 378 8.176 8.176 8.041 0.135 17741 3783 1 7 . 1 1 49 49 HIS N N 379 121.459 121.459 119.064 2.395 17741 3784 1 7 . 1 1 49 49 HIS HA H 379 4.129 4.129 4.262 -0.133 17741 3785 1 7 . 1 1 49 49 HIS C C 379 175.858 175.858 176.097 -0.239 17741 3786 1 7 . 1 1 49 49 HIS CA C 379 59.234 59.234 58.427 0.807 17741 3787 1 7 . 1 1 49 49 HIS CB C 379 29.473 29.473 29.748 -0.276 17741 3788 1 7 . 1 1 49 49 HIS H H 379 8.138 8.138 8.073 0.065 17741 3789 1 7 . 1 1 50 50 LYS N N 380 115.130 115.130 115.834 -0.704 17741 3790 1 7 . 1 1 50 50 LYS HA H 380 3.797 3.797 3.932 -0.135 17741 3791 1 7 . 1 1 50 50 LYS C C 380 175.468 175.468 175.276 0.192 17741 3792 1 7 . 1 1 50 50 LYS CA C 380 54.085 54.085 55.462 -1.377 17741 3793 1 7 . 1 1 50 50 LYS CB C 380 30.887 30.887 32.538 -1.651 17741 3794 1 7 . 1 1 50 50 LYS H H 380 7.552 7.552 7.622 -0.070 17741 3795 1 7 . 1 1 51 51 ASN N N 381 116.632 116.632 114.145 2.487 17741 3796 1 7 . 1 1 51 51 ASN HA H 381 4.264 4.264 4.269 -0.005 17741 3797 1 7 . 1 1 51 51 ASN C C 381 174.332 174.332 173.906 0.426 17741 3798 1 7 . 1 1 51 51 ASN CA C 381 54.189 54.189 54.315 -0.126 17741 3799 1 7 . 1 1 51 51 ASN CB C 381 37.343 37.343 37.166 0.177 17741 3800 1 7 . 1 1 51 51 ASN H H 381 7.715 7.715 7.646 0.069 17741 3801 1 7 . 1 1 52 52 ARG N N 382 117.701 117.701 118.753 -1.052 17741 3802 1 7 . 1 1 52 52 ARG HA H 382 4.583 4.583 4.636 -0.053 17741 3803 1 7 . 1 1 52 52 ARG C C 382 176.172 176.172 175.746 0.426 17741 3804 1 7 . 1 1 52 52 ARG CA C 382 54.167 54.167 53.930 0.237 17741 3805 1 7 . 1 1 52 52 ARG CB C 382 31.882 31.882 32.109 -0.227 17741 3806 1 7 . 1 1 52 52 ARG H H 382 8.465 8.465 8.132 0.333 17741 3807 1 7 . 1 1 53 53 THR N N 383 114.338 114.338 117.913 -3.575 17741 3808 1 7 . 1 1 53 53 THR HA H 383 4.208 4.208 4.201 0.007 17741 3809 1 7 . 1 1 53 53 THR C C 383 174.496 174.496 175.524 -1.028 17741 3810 1 7 . 1 1 53 53 THR CA C 383 62.345 62.345 64.854 -2.509 17741 3811 1 7 . 1 1 53 53 THR CB C 383 69.699 69.699 68.961 0.738 17741 3812 1 7 . 1 1 53 53 THR H H 383 8.274 8.274 8.522 -0.248 17741 3813 1 7 . 1 1 54 54 ASN N N 384 119.031 119.031 120.482 -1.451 17741 3814 1 7 . 1 1 54 54 ASN HA H 384 4.607 4.607 4.751 -0.144 17741 3815 1 7 . 1 1 54 54 ASN C C 384 174.829 174.829 173.710 1.119 17741 3816 1 7 . 1 1 54 54 ASN CA C 384 53.155 53.155 52.955 0.200 17741 3817 1 7 . 1 1 54 54 ASN CB C 384 37.871 37.871 37.851 0.020 17741 3818 1 7 . 1 1 54 54 ASN H H 384 8.457 8.457 8.482 -0.025 17741 3819 1 7 . 1 1 55 55 MET N N 385 119.922 119.922 121.783 -1.861 17741 3820 1 7 . 1 1 55 55 MET HA H 385 4.558 4.558 4.637 -0.079 17741 3821 1 7 . 1 1 55 55 MET C C 385 174.921 174.921 174.176 0.745 17741 3822 1 7 . 1 1 55 55 MET CA C 385 55.271 55.271 53.689 1.582 17741 3823 1 7 . 1 1 55 55 MET CB C 385 30.991 30.991 33.968 -2.977 17741 3824 1 7 . 1 1 55 55 MET H H 385 8.073 8.073 7.525 0.548 17741 3825 1 7 . 1 1 56 56 THR N N 386 113.771 113.771 117.766 -3.995 17741 3826 1 7 . 1 1 56 56 THR HA H 386 4.693 4.693 4.627 0.066 17741 3827 1 7 . 1 1 56 56 THR C C 386 175.459 175.459 174.777 0.682 17741 3828 1 7 . 1 1 56 56 THR CA C 386 59.043 59.043 59.421 -0.378 17741 3829 1 7 . 1 1 56 56 THR CB C 386 72.393 72.393 72.099 0.294 17741 3830 1 7 . 1 1 56 56 THR H H 386 7.076 7.076 8.191 -1.115 17741 3831 1 7 . 1 1 57 57 TYR N N 387 123.521 123.521 122.422 1.099 17741 3832 1 7 . 1 1 57 57 TYR HA H 387 4.127 4.127 4.200 -0.073 17741 3833 1 7 . 1 1 57 57 TYR C C 387 177.432 177.432 177.171 0.261 17741 3834 1 7 . 1 1 57 57 TYR CA C 387 62.527 62.527 61.780 0.747 17741 3835 1 7 . 1 1 57 57 TYR CB C 387 37.289 37.289 38.886 -1.597 17741 3836 1 7 . 1 1 57 57 TYR H H 387 9.726 9.726 8.915 0.811 17741 3837 1 7 . 1 1 58 58 GLU N N 388 121.083 121.083 119.621 1.462 17741 3838 1 7 . 1 1 58 58 GLU HA H 388 3.825 3.825 3.782 0.043 17741 3839 1 7 . 1 1 58 58 GLU C C 388 179.225 179.225 178.744 0.481 17741 3840 1 7 . 1 1 58 58 GLU CA C 388 60.476 60.476 59.973 0.503 17741 3841 1 7 . 1 1 58 58 GLU CB C 388 29.087 29.087 29.096 -0.009 17741 3842 1 7 . 1 1 58 58 GLU H H 388 8.843 8.843 8.336 0.507 17741 3843 1 7 . 1 1 59 59 LYS N N 389 119.209 119.209 118.595 0.614 17741 3844 1 7 . 1 1 59 59 LYS HA H 389 3.971 3.971 3.987 -0.016 17741 3845 1 7 . 1 1 59 59 LYS C C 389 179.944 179.944 179.042 0.902 17741 3846 1 7 . 1 1 59 59 LYS CA C 389 59.897 59.897 58.828 1.069 17741 3847 1 7 . 1 1 59 59 LYS CB C 389 33.359 33.359 32.088 1.271 17741 3848 1 7 . 1 1 59 59 LYS H H 389 7.605 7.605 7.395 0.210 17741 3849 1 7 . 1 1 60 60 MET N N 390 122.401 122.401 120.320 2.081 17741 3850 1 7 . 1 1 60 60 MET HA H 390 3.944 3.944 3.907 0.037 17741 3851 1 7 . 1 1 60 60 MET C C 390 177.716 177.716 177.288 0.428 17741 3852 1 7 . 1 1 60 60 MET CA C 390 59.547 59.547 58.957 0.590 17741 3853 1 7 . 1 1 60 60 MET CB C 390 33.315 33.315 32.368 0.947 17741 3854 1 7 . 1 1 60 60 MET H H 390 8.229 8.229 7.852 0.377 17741 3855 1 7 . 1 1 61 61 SER N N 391 114.652 114.652 114.834 -0.182 17741 3856 1 7 . 1 1 61 61 SER HA H 391 3.771 3.771 3.651 0.120 17741 3857 1 7 . 1 1 61 61 SER C C 391 176.449 176.449 176.255 0.194 17741 3858 1 7 . 1 1 61 61 SER CA C 391 61.554 61.554 61.152 0.402 17741 3859 1 7 . 1 1 61 61 SER CB C 391 62.278 62.278 62.683 -0.405 17741 3860 1 7 . 1 1 61 61 SER H H 391 8.829 8.829 8.302 0.527 17741 3861 1 7 . 1 1 62 62 ARG N N 392 122.213 122.213 120.242 1.971 17741 3862 1 7 . 1 1 62 62 ARG HA H 392 3.945 3.945 3.824 0.121 17741 3863 1 7 . 1 1 62 62 ARG C C 392 178.600 178.600 178.334 0.266 17741 3864 1 7 . 1 1 62 62 ARG CA C 392 59.571 59.571 58.651 0.920 17741 3865 1 7 . 1 1 62 62 ARG CB C 392 29.914 29.914 29.396 0.518 17741 3866 1 7 . 1 1 62 62 ARG H H 392 7.413 7.413 7.767 -0.354 17741 3867 1 7 . 1 1 63 63 ALA N N 393 122.327 122.327 121.799 0.528 17741 3868 1 7 . 1 1 63 63 ALA HA H 393 4.157 4.157 3.718 0.439 17741 3869 1 7 . 1 1 63 63 ALA C C 393 180.147 180.147 179.170 0.977 17741 3870 1 7 . 1 1 63 63 ALA CA C 393 54.749 54.749 54.556 0.194 17741 3871 1 7 . 1 1 63 63 ALA CB C 393 18.529 18.529 17.884 0.645 17741 3872 1 7 . 1 1 63 63 ALA H H 393 7.256 7.256 7.267 -0.011 17741 3873 1 7 . 1 1 64 64 LEU N N 394 117.582 117.582 118.112 -0.530 17741 3874 1 7 . 1 1 64 64 LEU HA H 394 3.769 3.769 3.500 0.269 17741 3875 1 7 . 1 1 64 64 LEU C C 394 178.139 178.139 178.614 -0.475 17741 3876 1 7 . 1 1 64 64 LEU CA C 394 58.012 58.012 57.263 0.749 17741 3877 1 7 . 1 1 64 64 LEU CB C 394 41.396 41.396 41.169 0.227 17741 3878 1 7 . 1 1 64 64 LEU H H 394 7.768 7.768 7.488 0.280 17741 3879 1 7 . 1 1 65 65 ARG N N 395 116.204 116.204 116.709 -0.505 17741 3880 1 7 . 1 1 65 65 ARG HA H 395 3.445 3.445 3.270 0.175 17741 3881 1 7 . 1 1 65 65 ARG C C 395 179.423 179.423 179.344 0.079 17741 3882 1 7 . 1 1 65 65 ARG CA C 395 58.829 58.829 58.415 0.414 17741 3883 1 7 . 1 1 65 65 ARG CB C 395 29.776 29.776 29.260 0.516 17741 3884 1 7 . 1 1 65 65 ARG H H 395 7.595 7.595 8.202 -0.607 17741 3885 1 7 . 1 1 66 66 HIS N N 396 118.573 118.573 120.739 -2.166 17741 3886 1 7 . 1 1 66 66 HIS HA H 396 4.401 4.401 4.378 0.023 17741 3887 1 7 . 1 1 66 66 HIS C C 396 177.218 177.218 177.479 -0.261 17741 3888 1 7 . 1 1 66 66 HIS CA C 396 58.821 58.821 58.996 -0.175 17741 3889 1 7 . 1 1 66 66 HIS CB C 396 29.753 29.753 29.709 0.044 17741 3890 1 7 . 1 1 66 66 HIS H H 396 7.362 7.362 7.565 -0.203 17741 3891 1 7 . 1 1 67 67 TYR N N 397 115.773 115.773 119.210 -3.437 17741 3892 1 7 . 1 1 67 67 TYR HA H 397 4.259 4.259 4.105 0.154 17741 3893 1 7 . 1 1 67 67 TYR C C 397 178.802 178.802 178.244 0.558 17741 3894 1 7 . 1 1 67 67 TYR CA C 397 60.329 60.329 59.620 0.709 17741 3895 1 7 . 1 1 67 67 TYR CB C 397 37.379 37.379 36.751 0.628 17741 3896 1 7 . 1 1 67 67 TYR H H 397 7.568 7.568 7.784 -0.216 17741 3897 1 7 . 1 1 68 68 TYR N N 398 121.825 121.825 118.626 3.199 17741 3898 1 7 . 1 1 68 68 TYR HA H 398 5.413 5.413 4.884 0.529 17741 3899 1 7 . 1 1 68 68 TYR C C 398 181.169 181.169 178.846 2.323 17741 3900 1 7 . 1 1 68 68 TYR CA C 398 57.775 57.775 59.149 -1.374 17741 3901 1 7 . 1 1 68 68 TYR CB C 398 36.972 36.972 37.178 -0.206 17741 3902 1 7 . 1 1 68 68 TYR H H 398 8.116 8.116 7.659 0.457 17741 3903 1 7 . 1 1 69 69 LYS N N 399 120.934 120.934 119.198 1.736 17741 3904 1 7 . 1 1 69 69 LYS HA H 399 4.127 4.127 4.143 -0.016 17741 3905 1 7 . 1 1 69 69 LYS C C 399 177.928 177.928 178.104 -0.176 17741 3906 1 7 . 1 1 69 69 LYS CA C 399 58.912 58.912 59.060 -0.148 17741 3907 1 7 . 1 1 69 69 LYS CB C 399 32.188 32.188 31.998 0.189 17741 3908 1 7 . 1 1 69 69 LYS H H 399 7.771 7.771 8.013 -0.242 17741 3909 1 7 . 1 1 70 70 LEU N N 400 116.022 116.022 117.204 -1.182 17741 3910 1 7 . 1 1 70 70 LEU HA H 400 4.291 4.291 4.301 -0.010 17741 3911 1 7 . 1 1 70 70 LEU C C 400 175.827 175.827 176.155 -0.328 17741 3912 1 7 . 1 1 70 70 LEU CA C 400 54.675 54.675 54.322 0.353 17741 3913 1 7 . 1 1 70 70 LEU CB C 400 43.081 43.081 40.887 2.194 17741 3914 1 7 . 1 1 70 70 LEU H H 400 7.144 7.144 7.349 -0.205 17741 3915 1 7 . 1 1 71 71 ASN N N 401 115.201 115.201 114.811 0.390 17741 3916 1 7 . 1 1 71 71 ASN HA H 401 4.352 4.352 4.398 -0.046 17741 3917 1 7 . 1 1 71 71 ASN C C 401 173.517 173.517 174.714 -1.197 17741 3918 1 7 . 1 1 71 71 ASN CA C 401 54.602 54.602 55.129 -0.527 17741 3919 1 7 . 1 1 71 71 ASN CB C 401 37.381 37.381 37.283 0.098 17741 3920 1 7 . 1 1 71 71 ASN H H 401 8.047 8.047 7.748 0.299 17741 3921 1 7 . 1 1 72 72 ILE N N 402 113.907 113.907 115.607 -1.700 17741 3922 1 7 . 1 1 72 72 ILE HA H 402 4.059 4.059 3.969 0.090 17741 3923 1 7 . 1 1 72 72 ILE C C 402 176.279 176.279 175.678 0.601 17741 3924 1 7 . 1 1 72 72 ILE CA C 402 63.797 63.797 62.921 0.876 17741 3925 1 7 . 1 1 72 72 ILE CB C 402 40.395 40.395 39.516 0.879 17741 3926 1 7 . 1 1 72 72 ILE H H 402 7.986 7.986 8.387 -0.401 17741 3927 1 7 . 1 1 73 73 ILE N N 403 116.766 116.766 115.765 1.001 17741 3928 1 7 . 1 1 73 73 ILE HA H 403 5.042 5.042 4.704 0.338 17741 3929 1 7 . 1 1 73 73 ILE C C 403 173.945 173.945 174.148 -0.203 17741 3930 1 7 . 1 1 73 73 ILE CA C 403 59.247 59.247 59.317 -0.070 17741 3931 1 7 . 1 1 73 73 ILE CB C 403 43.414 43.414 42.212 1.202 17741 3932 1 7 . 1 1 73 73 ILE H H 403 7.042 7.042 7.233 -0.191 17741 3933 1 7 . 1 1 74 74 ARG N N 404 123.256 123.256 122.360 0.896 17741 3934 1 7 . 1 1 74 74 ARG HA H 404 4.751 4.751 4.578 0.173 17741 3935 1 7 . 1 1 74 74 ARG C C 404 174.757 174.757 173.686 1.071 17741 3936 1 7 . 1 1 74 74 ARG CA C 404 54.274 54.274 54.538 -0.264 17741 3937 1 7 . 1 1 74 74 ARG CB C 404 34.492 34.492 33.804 0.688 17741 3938 1 7 . 1 1 74 74 ARG H H 404 8.931 8.931 9.302 -0.371 17741 3939 1 7 . 1 1 75 75 LYS N N 405 125.627 125.627 122.483 3.144 17741 3940 1 7 . 1 1 75 75 LYS HA H 405 4.076 4.076 4.377 -0.301 17741 3941 1 7 . 1 1 75 75 LYS C C 405 176.481 176.481 176.223 0.258 17741 3942 1 7 . 1 1 75 75 LYS CA C 405 56.446 56.446 54.123 2.323 17741 3943 1 7 . 1 1 75 75 LYS CB C 405 32.758 32.758 33.284 -0.526 17741 3944 1 7 . 1 1 75 75 LYS H H 405 8.294 8.294 8.130 0.164 17741 3945 1 7 . 1 1 76 76 GLU N N 406 128.187 128.187 126.249 1.938 17741 3946 1 7 . 1 1 76 76 GLU HA H 406 4.447 4.447 4.473 -0.026 17741 3947 1 7 . 1 1 76 76 GLU C C 406 174.401 174.401 175.054 -0.653 17741 3948 1 7 . 1 1 76 76 GLU CA C 406 53.751 53.751 53.449 0.302 17741 3949 1 7 . 1 1 76 76 GLU CB C 406 29.951 29.951 28.121 1.830 17741 3950 1 7 . 1 1 76 76 GLU H H 406 8.016 8.016 8.113 -0.097 17741 3951 1 7 . 1 1 77 77 PRO HA H 407 4.288 4.288 4.346 -0.058 17741 3952 1 7 . 1 1 77 77 PRO C C 407 177.654 177.654 177.020 0.634 17741 3953 1 7 . 1 1 77 77 PRO CA C 407 63.433 63.433 63.027 0.406 17741 3954 1 7 . 1 1 77 77 PRO CB C 407 32.152 32.152 31.003 1.149 17741 3955 1 7 . 1 1 78 78 GLY N N 408 109.679 109.679 113.609 -3.930 17741 3956 1 7 . 1 1 78 78 GLY C C 408 173.976 173.976 174.436 -0.460 17741 3957 1 7 . 1 1 78 78 GLY CA C 408 45.539 45.539 44.856 0.683 17741 3958 1 7 . 1 1 78 78 GLY H H 408 8.514 8.514 8.586 -0.072 17741 3959 1 7 . 1 1 79 79 GLN N N 409 116.897 116.897 119.647 -2.750 17741 3960 1 7 . 1 1 79 79 GLN HA H 409 4.489 4.489 4.466 0.023 17741 3961 1 7 . 1 1 79 79 GLN C C 409 175.371 175.371 175.016 0.355 17741 3962 1 7 . 1 1 79 79 GLN CA C 409 54.472 54.472 55.226 -0.754 17741 3963 1 7 . 1 1 79 79 GLN CB C 409 31.301 31.301 29.720 1.581 17741 3964 1 7 . 1 1 79 79 GLN H H 409 7.572 7.572 8.379 -0.807 17741 3965 1 7 . 1 1 80 80 ARG N N 410 120.458 120.458 118.143 2.315 17741 3966 1 7 . 1 1 80 80 ARG HA H 410 4.275 4.275 4.384 -0.109 17741 3967 1 7 . 1 1 80 80 ARG C C 410 176.227 176.227 177.270 -1.043 17741 3968 1 7 . 1 1 80 80 ARG CA C 410 56.891 56.891 57.164 -0.273 17741 3969 1 7 . 1 1 80 80 ARG CB C 410 31.475 31.475 30.238 1.237 17741 3970 1 7 . 1 1 80 80 ARG H H 410 8.254 8.254 8.332 -0.078 17741 3971 1 7 . 1 1 81 81 LEU N N 411 119.424 119.424 121.491 -2.067 17741 3972 1 7 . 1 1 81 81 LEU HA H 411 4.048 4.048 4.544 -0.496 17741 3973 1 7 . 1 1 81 81 LEU C C 411 173.277 173.277 174.952 -1.675 17741 3974 1 7 . 1 1 81 81 LEU CA C 411 55.111 55.111 53.458 1.653 17741 3975 1 7 . 1 1 81 81 LEU CB C 411 40.298 40.298 41.473 -1.175 17741 3976 1 7 . 1 1 81 81 LEU H H 411 8.467 8.467 8.068 0.399 17741 3977 1 7 . 1 1 82 82 LEU N N 412 119.126 119.126 122.072 -2.946 17741 3978 1 7 . 1 1 82 82 LEU HA H 412 5.036 5.036 4.681 0.355 17741 3979 1 7 . 1 1 82 82 LEU C C 412 175.323 175.323 174.655 0.668 17741 3980 1 7 . 1 1 82 82 LEU CA C 412 53.175 53.175 53.588 -0.413 17741 3981 1 7 . 1 1 82 82 LEU CB C 412 45.482 45.482 42.663 2.819 17741 3982 1 7 . 1 1 82 82 LEU H H 412 6.769 6.769 7.223 -0.454 17741 3983 1 7 . 1 1 83 83 PHE N N 413 122.107 122.107 124.214 -2.107 17741 3984 1 7 . 1 1 83 83 PHE HA H 413 4.848 4.848 4.887 -0.039 17741 3985 1 7 . 1 1 83 83 PHE C C 413 172.764 172.764 173.635 -0.871 17741 3986 1 7 . 1 1 83 83 PHE CA C 413 55.848 55.848 56.184 -0.336 17741 3987 1 7 . 1 1 83 83 PHE CB C 413 44.675 44.675 42.876 1.799 17741 3988 1 7 . 1 1 83 83 PHE H H 413 8.648 8.648 9.064 -0.416 17741 3989 1 7 . 1 1 84 84 ARG N N 414 119.466 119.466 122.036 -2.570 17741 3990 1 7 . 1 1 84 84 ARG HA H 414 5.578 5.578 5.167 0.411 17741 3991 1 7 . 1 1 84 84 ARG C C 414 177.476 177.476 175.186 2.290 17741 3992 1 7 . 1 1 84 84 ARG CA C 414 54.198 54.198 54.298 -0.100 17741 3993 1 7 . 1 1 84 84 ARG CB C 414 36.128 36.128 33.165 2.963 17741 3994 1 7 . 1 1 84 84 ARG H H 414 9.117 9.117 8.975 0.142 17741 3995 1 7 . 1 1 85 85 PHE N N 415 124.357 124.357 127.320 -2.963 17741 3996 1 7 . 1 1 85 85 PHE HA H 415 5.037 5.037 4.735 0.302 17741 3997 1 7 . 1 1 85 85 PHE C C 415 176.084 176.084 176.015 0.069 17741 3998 1 7 . 1 1 85 85 PHE CA C 415 59.719 59.719 60.391 -0.671 17741 3999 1 7 . 1 1 85 85 PHE CB C 415 40.812 40.812 39.151 1.661 17741 4000 1 7 . 1 1 85 85 PHE H H 415 8.984 8.984 9.439 -0.455 17741 4001 1 7 . 1 1 86 86 MET N N 416 121.301 121.301 122.798 -1.497 17741 4002 1 7 . 1 1 86 86 MET HA H 416 4.670 4.670 4.241 0.429 17741 4003 1 7 . 1 1 86 86 MET C C 416 176.543 176.543 176.587 -0.044 17741 4004 1 7 . 1 1 86 86 MET CA C 416 54.863 54.863 57.346 -2.483 17741 4005 1 7 . 1 1 86 86 MET CB C 416 31.711 31.711 32.529 -0.818 17741 4006 1 7 . 1 1 86 86 MET H H 416 8.671 8.671 8.552 0.119 17741 4007 1 7 . 1 1 87 87 LYS N N 417 117.759 117.759 115.852 1.907 17741 4008 1 7 . 1 1 87 87 LYS HA H 417 4.856 4.856 4.622 0.234 17741 4009 1 7 . 1 1 87 87 LYS C C 417 175.445 175.445 175.025 0.420 17741 4010 1 7 . 1 1 87 87 LYS CA C 417 54.550 54.550 54.695 -0.145 17741 4011 1 7 . 1 1 87 87 LYS CB C 417 37.828 37.828 36.152 1.676 17741 4012 1 7 . 1 1 87 87 LYS H H 417 7.656 7.656 7.611 0.045 17741 4013 1 7 . 1 1 88 88 THR N N 418 112.506 112.506 111.142 1.364 17741 4014 1 7 . 1 1 88 88 THR HA H 418 4.372 4.372 4.969 -0.597 17741 4015 1 7 . 1 1 88 88 THR C C 418 173.594 173.594 173.982 -0.388 17741 4016 1 7 . 1 1 88 88 THR CA C 418 59.640 59.640 58.513 1.127 17741 4017 1 7 . 1 1 88 88 THR CB C 418 68.065 68.065 69.723 -1.658 17741 4018 1 7 . 1 1 88 88 THR H H 418 8.685 8.685 8.237 0.448 17741 4019 1 7 . 1 1 89 89 PRO HA H 419 3.748 3.748 3.934 -0.186 17741 4020 1 7 . 1 1 89 89 PRO C C 419 177.219 177.219 178.469 -1.250 17741 4021 1 7 . 1 1 89 89 PRO CA C 419 65.592 65.592 66.360 -0.768 17741 4022 1 7 . 1 1 89 89 PRO CB C 419 31.739 31.739 31.793 -0.054 17741 4023 1 7 . 1 1 90 90 ASP N N 420 114.631 114.631 115.157 -0.526 17741 4024 1 7 . 1 1 90 90 ASP HA H 420 4.265 4.265 4.385 -0.120 17741 4025 1 7 . 1 1 90 90 ASP C C 420 177.962 177.962 177.301 0.661 17741 4026 1 7 . 1 1 90 90 ASP CA C 420 56.371 56.371 56.794 -0.423 17741 4027 1 7 . 1 1 90 90 ASP CB C 420 40.662 40.662 40.732 -0.070 17741 4028 1 7 . 1 1 90 90 ASP H H 420 7.962 7.962 8.463 -0.501 17741 4029 1 7 . 1 1 91 91 GLU N N 421 119.501 119.501 117.543 1.958 17741 4030 1 7 . 1 1 91 91 GLU HA H 421 4.043 4.043 4.105 -0.062 17741 4031 1 7 . 1 1 91 91 GLU C C 421 178.599 178.599 178.984 -0.385 17741 4032 1 7 . 1 1 91 91 GLU CA C 421 58.113 58.113 58.355 -0.242 17741 4033 1 7 . 1 1 91 91 GLU CB C 421 30.721 30.721 30.057 0.664 17741 4034 1 7 . 1 1 91 91 GLU H H 421 7.661 7.661 7.730 -0.069 17741 4035 1 7 . 1 1 92 92 ILE N N 422 120.594 120.594 120.335 0.259 17741 4036 1 7 . 1 1 92 92 ILE HA H 422 3.641 3.641 3.719 -0.078 17741 4037 1 7 . 1 1 92 92 ILE C C 422 177.752 177.752 177.693 0.059 17741 4038 1 7 . 1 1 92 92 ILE CA C 422 62.931 62.931 65.251 -2.320 17741 4039 1 7 . 1 1 92 92 ILE CB C 422 38.185 38.185 37.916 0.269 17741 4040 1 7 . 1 1 92 92 ILE H H 422 7.861 7.861 8.280 -0.419 17741 4041 1 7 . 1 1 93 93 MET N N 423 119.187 119.187 116.687 2.500 17741 4042 1 7 . 1 1 93 93 MET HA H 423 4.391 4.391 4.403 -0.012 17741 4043 1 7 . 1 1 93 93 MET C C 423 176.982 176.982 177.118 -0.136 17741 4044 1 7 . 1 1 93 93 MET CA C 423 56.491 56.491 56.688 -0.197 17741 4045 1 7 . 1 1 93 93 MET CB C 423 32.584 32.584 31.855 0.729 17741 4046 1 7 . 1 1 93 93 MET H H 423 8.158 8.158 8.340 -0.182 17741 4047 1 7 . 1 1 94 94 SER N N 424 114.933 114.933 114.549 0.384 17741 4048 1 7 . 1 1 94 94 SER HA H 424 4.394 4.394 4.294 0.100 17741 4049 1 7 . 1 1 94 94 SER C C 424 175.238 175.238 175.480 -0.242 17741 4050 1 7 . 1 1 94 94 SER CA C 424 59.423 59.423 60.285 -0.862 17741 4051 1 7 . 1 1 94 94 SER CB C 424 63.695 63.695 63.621 0.074 17741 4052 1 7 . 1 1 94 94 SER H H 424 7.854 7.854 7.523 0.331 17741 4053 1 7 . 1 1 95 95 GLY N N 425 110.045 110.045 108.804 1.241 17741 4054 1 7 . 1 1 95 95 GLY C C 425 174.194 174.194 175.247 -1.053 17741 4055 1 7 . 1 1 95 95 GLY CA C 425 45.432 45.432 45.258 0.174 17741 4056 1 7 . 1 1 95 95 GLY H H 425 8.061 8.061 7.569 0.492 17741 4057 1 7 . 1 1 96 96 ARG N N 426 119.987 119.987 121.499 -1.512 17741 4058 1 7 . 1 1 96 96 ARG HA H 426 4.475 4.475 4.089 0.386 17741 4059 1 7 . 1 1 96 96 ARG C C 426 177.308 177.308 177.462 -0.154 17741 4060 1 7 . 1 1 96 96 ARG CA C 426 56.195 56.195 58.446 -2.251 17741 4061 1 7 . 1 1 96 96 ARG CB C 426 30.354 30.354 30.247 0.107 17741 4062 1 7 . 1 1 96 96 ARG H H 426 8.092 8.092 7.901 0.191 17741 4063 1 7 . 1 1 97 97 THR N N 427 114.398 114.398 111.667 2.731 17741 4064 1 7 . 1 1 97 97 THR HA H 427 4.298 4.298 4.577 -0.279 17741 4065 1 7 . 1 1 97 97 THR C C 427 174.913 174.913 174.844 0.069 17741 4066 1 7 . 1 1 97 97 THR CA C 427 62.673 62.673 60.647 2.026 17741 4067 1 7 . 1 1 97 97 THR CB C 427 69.473 69.473 68.873 0.600 17741 4068 1 7 . 1 1 97 97 THR H H 427 8.319 8.319 7.627 0.692 17741 4069 1 7 . 1 1 98 98 ASP N N 428 121.983 121.983 122.734 -0.751 17741 4070 1 7 . 1 1 98 98 ASP HA H 428 4.508 4.508 4.535 -0.027 17741 4071 1 7 . 1 1 98 98 ASP C C 428 176.956 176.956 177.398 -0.442 17741 4072 1 7 . 1 1 98 98 ASP CA C 428 55.433 55.433 57.179 -1.746 17741 4073 1 7 . 1 1 98 98 ASP CB C 428 40.746 40.746 41.049 -0.303 17741 4074 1 7 . 1 1 98 98 ASP H H 428 8.488 8.488 7.735 0.753 17741 4075 1 7 . 1 1 99 99 ARG N N 429 119.821 119.821 118.397 1.424 17741 4076 1 7 . 1 1 99 99 ARG HA H 429 4.277 4.277 4.251 0.026 17741 4077 1 7 . 1 1 99 99 ARG C C 429 177.078 177.078 178.897 -1.819 17741 4078 1 7 . 1 1 99 99 ARG CA C 429 56.984 56.984 58.380 -1.396 17741 4079 1 7 . 1 1 99 99 ARG CB C 429 30.224 30.224 30.330 -0.106 17741 4080 1 7 . 1 1 99 99 ARG H H 429 8.088 8.088 8.029 0.059 17741 4081 1 7 . 1 1 100 100 LEU N N 430 120.887 120.887 121.246 -0.359 17741 4082 1 7 . 1 1 100 100 LEU HA H 430 4.176 4.176 4.237 -0.061 17741 4083 1 7 . 1 1 100 100 LEU C C 430 177.732 177.732 178.685 -0.953 17741 4084 1 7 . 1 1 100 100 LEU CA C 430 56.324 56.324 58.010 -1.686 17741 4085 1 7 . 1 1 100 100 LEU CB C 430 42.262 42.262 41.963 0.299 17741 4086 1 7 . 1 1 100 100 LEU H H 430 7.945 7.945 8.231 -0.286 17741 4087 1 7 . 1 1 101 101 GLU N N 431 119.799 119.799 118.002 1.797 17741 4088 1 7 . 1 1 101 101 GLU HA H 431 4.082 4.082 3.956 0.126 17741 4089 1 7 . 1 1 101 101 GLU C C 431 177.281 177.281 178.684 -1.403 17741 4090 1 7 . 1 1 101 101 GLU CA C 431 58.011 58.011 59.629 -1.618 17741 4091 1 7 . 1 1 101 101 GLU CB C 431 30.191 30.191 29.501 0.690 17741 4092 1 7 . 1 1 101 101 GLU H H 431 8.268 8.268 8.011 0.257 17741 4093 1 7 . 1 1 102 102 HIS N N 432 118.048 118.048 116.722 1.326 17741 4094 1 7 . 1 1 102 102 HIS HA H 432 4.584 4.584 4.446 0.138 17741 4095 1 7 . 1 1 102 102 HIS C C 432 175.678 175.678 177.607 -1.929 17741 4096 1 7 . 1 1 102 102 HIS CA C 432 56.571 56.571 58.742 -2.171 17741 4097 1 7 . 1 1 102 102 HIS CB C 432 29.352 29.352 29.856 -0.504 17741 4098 1 7 . 1 1 102 102 HIS H H 432 8.166 8.166 8.340 -0.174 17741 4099 1 7 . 1 1 103 103 LEU N N 433 122.228 122.228 117.705 4.523 17741 4100 1 7 . 1 1 103 103 LEU HA H 433 4.176 4.176 4.152 0.024 17741 4101 1 7 . 1 1 103 103 LEU C C 433 177.904 177.904 178.685 -0.781 17741 4102 1 7 . 1 1 103 103 LEU CA C 433 56.237 56.237 57.040 -0.803 17741 4103 1 7 . 1 1 103 103 LEU CB C 433 42.305 42.305 41.943 0.362 17741 4104 1 7 . 1 1 103 103 LEU H H 433 8.072 8.072 7.513 0.559 17741 4105 1 7 . 1 1 104 104 GLU N N 434 119.413 119.413 117.440 1.973 17741 4106 1 7 . 1 1 104 104 GLU HA H 434 4.309 4.309 4.403 -0.094 17741 4107 1 7 . 1 1 104 104 GLU C C 434 176.560 176.560 176.957 -0.397 17741 4108 1 7 . 1 1 104 104 GLU CA C 434 57.098 57.098 56.008 1.090 17741 4109 1 7 . 1 1 104 104 GLU CB C 434 30.301 30.301 28.987 1.314 17741 4110 1 7 . 1 1 104 104 GLU H H 434 8.331 8.331 7.905 0.426 17741 4111 1 7 . 1 1 105 105 SER N N 435 115.859 115.859 113.507 2.352 17741 4112 1 7 . 1 1 105 105 SER HA H 435 4.443 4.443 4.430 0.013 17741 4113 1 7 . 1 1 105 105 SER C C 435 173.630 173.630 173.967 -0.337 17741 4114 1 7 . 1 1 105 105 SER CA C 435 58.591 58.591 59.461 -0.869 17741 4115 1 7 . 1 1 105 105 SER CB C 435 64.066 64.066 63.563 0.503 17741 4116 1 7 . 1 1 105 105 SER H H 435 7.976 7.976 7.456 0.520 17741 4117 1 8 . 1 1 5 5 ARG N N 335 123.531 123.531 119.770 3.761 17741 4118 1 8 . 1 1 5 5 ARG HA H 335 4.411 4.411 4.992 -0.581 17741 4119 1 8 . 1 1 5 5 ARG C C 335 176.473 176.473 176.385 0.088 17741 4120 1 8 . 1 1 5 5 ARG CA C 335 56.571 56.571 54.244 2.327 17741 4121 1 8 . 1 1 5 5 ARG CB C 335 31.352 31.352 31.106 0.246 17741 4122 1 8 . 1 1 5 5 ARG H H 335 9.347 9.347 8.401 0.946 17741 4123 1 8 . 1 1 6 6 LEU N N 336 121.545 121.545 123.302 -1.757 17741 4124 1 8 . 1 1 6 6 LEU HA H 336 4.293 4.293 4.335 -0.042 17741 4125 1 8 . 1 1 6 6 LEU C C 336 178.837 178.837 177.486 1.351 17741 4126 1 8 . 1 1 6 6 LEU CA C 336 54.652 54.652 55.132 -0.480 17741 4127 1 8 . 1 1 6 6 LEU CB C 336 43.365 43.365 42.135 1.230 17741 4128 1 8 . 1 1 6 6 LEU H H 336 8.556 8.556 8.274 0.282 17741 4129 1 8 . 1 1 7 7 LEU HA H 337 3.441 3.441 3.163 0.278 17741 4130 1 8 . 1 1 7 7 LEU C C 337 177.908 177.908 178.442 -0.534 17741 4131 1 8 . 1 1 7 7 LEU CA C 337 58.771 58.771 58.710 0.061 17741 4132 1 8 . 1 1 7 7 LEU CB C 337 40.192 40.192 41.908 -1.716 17741 4133 1 8 . 1 1 8 8 TRP N N 338 114.624 114.624 116.901 -2.277 17741 4134 1 8 . 1 1 8 8 TRP HA H 338 3.785 3.785 4.372 -0.587 17741 4135 1 8 . 1 1 8 8 TRP C C 338 175.318 175.318 177.725 -2.407 17741 4136 1 8 . 1 1 8 8 TRP CA C 338 59.891 59.891 59.892 -0.001 17741 4137 1 8 . 1 1 8 8 TRP CB C 338 28.359 28.359 28.293 0.066 17741 4138 1 8 . 1 1 8 8 TRP H H 338 7.515 7.515 7.350 0.165 17741 4139 1 8 . 1 1 9 9 ASP HA H 339 3.813 3.813 4.270 -0.457 17741 4140 1 8 . 1 1 9 9 ASP C C 339 177.355 177.355 177.739 -0.384 17741 4141 1 8 . 1 1 9 9 ASP CA C 339 56.291 56.291 56.175 0.116 17741 4142 1 8 . 1 1 9 9 ASP CB C 339 41.591 41.591 40.003 1.588 17741 4143 1 8 . 1 1 10 10 TYR N N 340 120.906 120.906 120.441 0.465 17741 4144 1 8 . 1 1 10 10 TYR HA H 340 3.897 3.897 4.126 -0.229 17741 4145 1 8 . 1 1 10 10 TYR C C 340 177.011 177.011 177.352 -0.341 17741 4146 1 8 . 1 1 10 10 TYR CA C 340 61.913 61.913 60.860 1.053 17741 4147 1 8 . 1 1 10 10 TYR CB C 340 39.482 39.482 38.797 0.685 17741 4148 1 8 . 1 1 10 10 TYR H H 340 8.005 8.005 7.895 0.110 17741 4149 1 8 . 1 1 11 11 VAL N N 341 115.016 115.016 118.208 -3.192 17741 4150 1 8 . 1 1 11 11 VAL HA H 341 2.992 2.992 3.141 -0.149 17741 4151 1 8 . 1 1 11 11 VAL C C 341 176.751 176.751 177.075 -0.324 17741 4152 1 8 . 1 1 11 11 VAL CA C 341 66.910 66.910 66.380 0.530 17741 4153 1 8 . 1 1 11 11 VAL CB C 341 30.968 30.968 30.938 0.030 17741 4154 1 8 . 1 1 11 11 VAL H H 341 8.287 8.287 7.877 0.410 17741 4155 1 8 . 1 1 12 12 TYR N N 342 119.030 119.030 119.757 -0.727 17741 4156 1 8 . 1 1 12 12 TYR HA H 342 3.641 3.641 3.921 -0.280 17741 4157 1 8 . 1 1 12 12 TYR C C 342 178.659 178.659 177.884 0.775 17741 4158 1 8 . 1 1 12 12 TYR CA C 342 63.010 63.010 62.428 0.582 17741 4159 1 8 . 1 1 12 12 TYR CB C 342 38.212 38.212 37.615 0.597 17741 4160 1 8 . 1 1 12 12 TYR H H 342 7.673 7.673 7.979 -0.306 17741 4161 1 8 . 1 1 13 13 GLN N N 343 119.113 119.113 118.852 0.261 17741 4162 1 8 . 1 1 13 13 GLN HA H 343 3.828 3.828 4.112 -0.284 17741 4163 1 8 . 1 1 13 13 GLN C C 343 179.955 179.955 177.643 2.312 17741 4164 1 8 . 1 1 13 13 GLN CA C 343 58.871 58.871 58.347 0.524 17741 4165 1 8 . 1 1 13 13 GLN CB C 343 27.514 27.514 27.838 -0.324 17741 4166 1 8 . 1 1 13 13 GLN H H 343 8.161 8.161 7.580 0.581 17741 4167 1 8 . 1 1 14 14 LEU N N 344 121.401 121.401 119.165 2.236 17741 4168 1 8 . 1 1 14 14 LEU HA H 344 3.611 3.611 4.030 -0.419 17741 4169 1 8 . 1 1 14 14 LEU C C 344 179.789 179.789 179.645 0.144 17741 4170 1 8 . 1 1 14 14 LEU CA C 344 58.043 58.043 56.894 1.149 17741 4171 1 8 . 1 1 14 14 LEU CB C 344 41.598 41.598 41.545 0.052 17741 4172 1 8 . 1 1 14 14 LEU H H 344 7.825 7.825 7.426 0.399 17741 4173 1 8 . 1 1 15 15 LEU N N 345 116.853 116.853 119.077 -2.224 17741 4174 1 8 . 1 1 15 15 LEU HA H 345 3.504 3.504 3.845 -0.341 17741 4175 1 8 . 1 1 15 15 LEU C C 345 178.149 178.149 178.699 -0.550 17741 4176 1 8 . 1 1 15 15 LEU CA C 345 56.473 56.473 56.275 0.198 17741 4177 1 8 . 1 1 15 15 LEU CB C 345 41.322 41.322 39.999 1.323 17741 4178 1 8 . 1 1 15 15 LEU H H 345 7.503 7.503 8.436 -0.933 17741 4179 1 8 . 1 1 16 16 SER N N 346 112.491 112.491 111.599 0.892 17741 4180 1 8 . 1 1 16 16 SER HA H 346 4.522 4.522 4.596 -0.074 17741 4181 1 8 . 1 1 16 16 SER C C 346 172.441 172.441 174.260 -1.819 17741 4182 1 8 . 1 1 16 16 SER CA C 346 58.859 58.859 59.188 -0.329 17741 4183 1 8 . 1 1 16 16 SER CB C 346 63.987 63.987 64.037 -0.050 17741 4184 1 8 . 1 1 16 16 SER H H 346 7.277 7.277 7.525 -0.248 17741 4185 1 8 . 1 1 17 17 ASP N N 347 122.161 122.161 120.359 1.802 17741 4186 1 8 . 1 1 17 17 ASP HA H 347 4.966 4.966 4.840 0.126 17741 4187 1 8 . 1 1 17 17 ASP C C 347 175.692 175.692 176.166 -0.474 17741 4188 1 8 . 1 1 17 17 ASP CA C 347 52.805 52.805 53.272 -0.467 17741 4189 1 8 . 1 1 17 17 ASP CB C 347 43.392 43.392 43.222 0.170 17741 4190 1 8 . 1 1 17 17 ASP H H 347 7.345 7.345 7.490 -0.145 17741 4191 1 8 . 1 1 18 18 SER N N 348 120.164 120.164 121.981 -1.817 17741 4192 1 8 . 1 1 18 18 SER HA H 348 4.356 4.356 4.283 0.073 17741 4193 1 8 . 1 1 18 18 SER C C 348 176.200 176.200 176.232 -0.032 17741 4194 1 8 . 1 1 18 18 SER CA C 348 61.207 61.207 59.770 1.437 17741 4195 1 8 . 1 1 18 18 SER CB C 348 63.226 63.226 63.253 -0.027 17741 4196 1 8 . 1 1 18 18 SER H H 348 8.686 8.686 8.908 -0.222 17741 4197 1 8 . 1 1 19 19 ARG N N 349 122.701 122.701 122.006 0.695 17741 4198 1 8 . 1 1 19 19 ARG HA H 349 4.105 4.105 3.977 0.128 17741 4199 1 8 . 1 1 19 19 ARG C C 349 178.120 178.120 176.927 1.193 17741 4200 1 8 . 1 1 19 19 ARG CA C 349 58.604 58.604 58.107 0.497 17741 4201 1 8 . 1 1 19 19 ARG CB C 349 29.854 29.854 29.512 0.342 17741 4202 1 8 . 1 1 19 19 ARG H H 349 8.597 8.597 8.436 0.161 17741 4203 1 8 . 1 1 20 20 TYR N N 350 116.257 116.257 116.895 -0.638 17741 4204 1 8 . 1 1 20 20 TYR HA H 350 4.884 4.884 4.611 0.273 17741 4205 1 8 . 1 1 20 20 TYR C C 350 176.977 176.977 175.236 1.741 17741 4206 1 8 . 1 1 20 20 TYR CA C 350 58.758 58.758 56.469 2.289 17741 4207 1 8 . 1 1 20 20 TYR CB C 350 37.602 37.602 38.700 -1.098 17741 4208 1 8 . 1 1 20 20 TYR H H 350 8.285 8.285 7.427 0.858 17741 4209 1 8 . 1 1 21 21 GLU N N 351 120.807 120.807 120.359 0.448 17741 4210 1 8 . 1 1 21 21 GLU HA H 351 4.454 4.454 4.440 0.014 17741 4211 1 8 . 1 1 21 21 GLU C C 351 176.277 176.277 177.130 -0.853 17741 4212 1 8 . 1 1 21 21 GLU CA C 351 59.135 59.135 58.192 0.943 17741 4213 1 8 . 1 1 21 21 GLU CB C 351 29.674 29.674 29.047 0.627 17741 4214 1 8 . 1 1 21 21 GLU H H 351 7.527 7.527 7.579 -0.052 17741 4215 1 8 . 1 1 22 22 ASN N N 352 114.501 114.501 115.758 -1.257 17741 4216 1 8 . 1 1 22 22 ASN HA H 352 4.471 4.471 4.526 -0.055 17741 4217 1 8 . 1 1 22 22 ASN C C 352 174.426 174.426 175.793 -1.367 17741 4218 1 8 . 1 1 22 22 ASN CA C 352 54.002 54.002 54.531 -0.529 17741 4219 1 8 . 1 1 22 22 ASN CB C 352 36.943 36.943 38.571 -1.628 17741 4220 1 8 . 1 1 22 22 ASN H H 352 8.647 8.647 7.943 0.704 17741 4221 1 8 . 1 1 23 23 PHE N N 353 115.528 115.528 115.771 -0.243 17741 4222 1 8 . 1 1 23 23 PHE HA H 353 4.751 4.751 4.738 0.013 17741 4223 1 8 . 1 1 23 23 PHE C C 353 176.374 176.374 175.760 0.614 17741 4224 1 8 . 1 1 23 23 PHE CA C 353 59.617 59.617 58.058 1.559 17741 4225 1 8 . 1 1 23 23 PHE CB C 353 41.431 41.431 40.927 0.504 17741 4226 1 8 . 1 1 23 23 PHE H H 353 8.578 8.578 7.656 0.922 17741 4227 1 8 . 1 1 24 24 ILE N N 354 120.520 120.520 118.459 2.061 17741 4228 1 8 . 1 1 24 24 ILE HA H 354 5.063 5.063 4.957 0.106 17741 4229 1 8 . 1 1 24 24 ILE C C 354 170.331 170.331 172.887 -2.556 17741 4230 1 8 . 1 1 24 24 ILE CA C 354 59.835 59.835 60.700 -0.865 17741 4231 1 8 . 1 1 24 24 ILE CB C 354 40.605 40.605 41.780 -1.175 17741 4232 1 8 . 1 1 24 24 ILE H H 354 8.436 8.436 8.509 -0.073 17741 4233 1 8 . 1 1 25 25 ARG N N 355 121.401 121.401 121.361 0.040 17741 4234 1 8 . 1 1 25 25 ARG HA H 355 4.916 4.916 4.791 0.125 17741 4235 1 8 . 1 1 25 25 ARG C C 355 175.099 175.099 173.919 1.180 17741 4236 1 8 . 1 1 25 25 ARG CA C 355 54.461 54.461 54.865 -0.404 17741 4237 1 8 . 1 1 25 25 ARG CB C 355 33.662 33.662 33.735 -0.073 17741 4238 1 8 . 1 1 25 25 ARG H H 355 8.668 8.668 9.057 -0.389 17741 4239 1 8 . 1 1 26 26 TRP N N 356 122.022 122.022 123.326 -1.304 17741 4240 1 8 . 1 1 26 26 TRP HA H 356 4.894 4.894 4.904 -0.010 17741 4241 1 8 . 1 1 26 26 TRP C C 356 176.606 176.606 176.873 -0.267 17741 4242 1 8 . 1 1 26 26 TRP CA C 356 57.835 57.835 57.646 0.189 17741 4243 1 8 . 1 1 26 26 TRP CB C 356 30.564 30.564 29.614 0.950 17741 4244 1 8 . 1 1 26 26 TRP H H 356 9.149 9.149 8.929 0.220 17741 4245 1 8 . 1 1 27 27 GLU N N 357 125.415 125.415 124.412 1.003 17741 4246 1 8 . 1 1 27 27 GLU HA H 357 4.686 4.686 4.467 0.219 17741 4247 1 8 . 1 1 27 27 GLU C C 357 176.709 176.709 176.861 -0.152 17741 4248 1 8 . 1 1 27 27 GLU CA C 357 56.939 56.939 58.131 -1.192 17741 4249 1 8 . 1 1 27 27 GLU CB C 357 31.545 31.545 30.835 0.710 17741 4250 1 8 . 1 1 27 27 GLU H H 357 9.524 9.524 8.988 0.536 17741 4251 1 8 . 1 1 28 28 ASP N N 358 116.214 116.214 121.171 -4.957 17741 4252 1 8 . 1 1 28 28 ASP HA H 358 4.759 4.759 4.948 -0.189 17741 4253 1 8 . 1 1 28 28 ASP C C 358 176.124 176.124 175.965 0.159 17741 4254 1 8 . 1 1 28 28 ASP CA C 358 53.481 53.481 53.358 0.123 17741 4255 1 8 . 1 1 28 28 ASP CB C 358 41.921 41.921 41.696 0.225 17741 4256 1 8 . 1 1 28 28 ASP H H 358 7.828 7.828 8.470 -0.642 17741 4257 1 8 . 1 1 29 29 LYS N N 359 127.750 127.750 124.771 2.979 17741 4258 1 8 . 1 1 29 29 LYS HA H 359 3.162 3.162 2.993 0.169 17741 4259 1 8 . 1 1 29 29 LYS C C 359 178.683 178.683 177.774 0.909 17741 4260 1 8 . 1 1 29 29 LYS CA C 359 60.173 60.173 59.432 0.741 17741 4261 1 8 . 1 1 29 29 LYS CB C 359 32.728 32.728 32.001 0.727 17741 4262 1 8 . 1 1 29 29 LYS H H 359 9.221 9.221 8.755 0.466 17741 4263 1 8 . 1 1 30 30 GLU N N 360 119.608 119.608 116.076 3.532 17741 4264 1 8 . 1 1 30 30 GLU HA H 360 3.923 3.923 4.030 -0.107 17741 4265 1 8 . 1 1 30 30 GLU C C 360 178.598 178.598 177.585 1.013 17741 4266 1 8 . 1 1 30 30 GLU CA C 360 59.512 59.512 58.164 1.348 17741 4267 1 8 . 1 1 30 30 GLU CB C 360 29.188 29.188 29.444 -0.256 17741 4268 1 8 . 1 1 30 30 GLU H H 360 8.343 8.343 8.647 -0.304 17741 4269 1 8 . 1 1 31 31 SER N N 361 113.313 113.313 114.087 -0.774 17741 4270 1 8 . 1 1 31 31 SER HA H 361 4.485 4.485 4.570 -0.085 17741 4271 1 8 . 1 1 31 31 SER C C 361 172.284 172.284 173.753 -1.469 17741 4272 1 8 . 1 1 31 31 SER CA C 361 58.745 58.745 57.557 1.188 17741 4273 1 8 . 1 1 31 31 SER CB C 361 63.728 63.728 63.472 0.256 17741 4274 1 8 . 1 1 31 31 SER H H 361 7.466 7.466 7.621 -0.155 17741 4275 1 8 . 1 1 32 32 LYS N N 362 115.197 115.197 118.479 -3.282 17741 4276 1 8 . 1 1 32 32 LYS HA H 362 3.894 3.894 3.866 0.028 17741 4277 1 8 . 1 1 32 32 LYS C C 362 175.489 175.489 174.822 0.667 17741 4278 1 8 . 1 1 32 32 LYS CA C 362 57.641 57.641 57.356 0.285 17741 4279 1 8 . 1 1 32 32 LYS CB C 362 29.811 29.811 30.051 -0.240 17741 4280 1 8 . 1 1 32 32 LYS H H 362 7.741 7.741 7.804 -0.063 17741 4281 1 8 . 1 1 33 33 ILE N N 363 118.359 118.359 119.360 -1.001 17741 4282 1 8 . 1 1 33 33 ILE HA H 363 5.356 5.356 4.747 0.609 17741 4283 1 8 . 1 1 33 33 ILE C C 363 177.019 177.019 175.441 1.578 17741 4284 1 8 . 1 1 33 33 ILE CA C 363 60.455 60.455 60.846 -0.391 17741 4285 1 8 . 1 1 33 33 ILE CB C 363 40.081 40.081 39.419 0.662 17741 4286 1 8 . 1 1 33 33 ILE H H 363 8.268 8.268 8.194 0.074 17741 4287 1 8 . 1 1 34 34 PHE N N 364 128.287 128.287 126.066 2.221 17741 4288 1 8 . 1 1 34 34 PHE HA H 364 5.576 5.576 5.764 -0.188 17741 4289 1 8 . 1 1 34 34 PHE C C 364 170.447 170.447 172.981 -2.534 17741 4290 1 8 . 1 1 34 34 PHE CA C 364 55.128 55.128 54.993 0.135 17741 4291 1 8 . 1 1 34 34 PHE CB C 364 44.010 44.010 42.949 1.061 17741 4292 1 8 . 1 1 34 34 PHE H H 364 9.962 9.962 9.281 0.681 17741 4293 1 8 . 1 1 35 35 ARG N N 365 120.900 120.900 120.939 -0.039 17741 4294 1 8 . 1 1 35 35 ARG HA H 365 5.486 5.486 5.308 0.178 17741 4295 1 8 . 1 1 35 35 ARG C C 365 176.462 176.462 175.161 1.301 17741 4296 1 8 . 1 1 35 35 ARG CA C 365 53.609 53.609 53.907 -0.298 17741 4297 1 8 . 1 1 35 35 ARG CB C 365 36.518 36.518 34.281 2.237 17741 4298 1 8 . 1 1 35 35 ARG H H 365 9.427 9.427 9.450 -0.023 17741 4299 1 8 . 1 1 36 36 ILE N N 366 125.534 125.534 127.324 -1.790 17741 4300 1 8 . 1 1 36 36 ILE HA H 366 4.209 4.209 4.196 0.013 17741 4301 1 8 . 1 1 36 36 ILE C C 366 173.899 173.899 175.414 -1.515 17741 4302 1 8 . 1 1 36 36 ILE CA C 366 63.033 63.033 62.521 0.512 17741 4303 1 8 . 1 1 36 36 ILE CB C 366 37.889 37.889 38.167 -0.278 17741 4304 1 8 . 1 1 36 36 ILE H H 366 8.643 8.643 9.090 -0.447 17741 4305 1 8 . 1 1 37 37 VAL N N 367 129.194 129.194 127.788 1.406 17741 4306 1 8 . 1 1 37 37 VAL HA H 367 3.679 3.679 3.948 -0.269 17741 4307 1 8 . 1 1 37 37 VAL C C 367 175.919 175.919 175.576 0.343 17741 4308 1 8 . 1 1 37 37 VAL CA C 367 64.068 64.068 64.400 -0.332 17741 4309 1 8 . 1 1 37 37 VAL CB C 367 32.884 32.884 32.631 0.253 17741 4310 1 8 . 1 1 37 37 VAL H H 367 7.841 7.841 8.488 -0.647 17741 4311 1 8 . 1 1 38 38 ASP N N 368 114.969 114.969 117.385 -2.416 17741 4312 1 8 . 1 1 38 38 ASP HA H 368 5.222 5.222 5.045 0.177 17741 4313 1 8 . 1 1 38 38 ASP C C 368 173.227 173.227 174.293 -1.066 17741 4314 1 8 . 1 1 38 38 ASP CA C 368 50.238 50.238 51.129 -0.891 17741 4315 1 8 . 1 1 38 38 ASP CB C 368 42.181 42.181 42.440 -0.259 17741 4316 1 8 . 1 1 38 38 ASP H H 368 7.316 7.316 7.896 -0.580 17741 4317 1 8 . 1 1 39 39 PRO HA H 369 3.809 3.809 4.079 -0.270 17741 4318 1 8 . 1 1 39 39 PRO C C 369 177.958 177.958 178.431 -0.473 17741 4319 1 8 . 1 1 39 39 PRO CA C 369 65.612 65.612 64.994 0.618 17741 4320 1 8 . 1 1 39 39 PRO CB C 369 31.068 31.068 31.769 -0.701 17741 4321 1 8 . 1 1 40 40 ASN N N 370 115.480 115.480 117.260 -1.780 17741 4322 1 8 . 1 1 40 40 ASN HA H 370 4.604 4.604 4.441 0.163 17741 4323 1 8 . 1 1 40 40 ASN C C 370 178.566 178.566 177.521 1.045 17741 4324 1 8 . 1 1 40 40 ASN CA C 370 56.471 56.471 56.918 -0.447 17741 4325 1 8 . 1 1 40 40 ASN CB C 370 38.068 38.068 38.166 -0.098 17741 4326 1 8 . 1 1 40 40 ASN H H 370 8.094 8.094 7.979 0.115 17741 4327 1 8 . 1 1 41 41 GLY N N 371 111.371 111.371 108.152 3.219 17741 4328 1 8 . 1 1 41 41 GLY C C 371 176.018 176.018 175.690 0.328 17741 4329 1 8 . 1 1 41 41 GLY CA C 371 47.862 47.862 46.362 1.500 17741 4330 1 8 . 1 1 41 41 GLY H H 371 8.632 8.632 9.120 -0.488 17741 4331 1 8 . 1 1 42 42 LEU N N 372 122.901 122.901 122.074 0.827 17741 4332 1 8 . 1 1 42 42 LEU HA H 372 4.035 4.035 4.179 -0.144 17741 4333 1 8 . 1 1 42 42 LEU C C 372 177.704 177.704 178.603 -0.899 17741 4334 1 8 . 1 1 42 42 LEU CA C 372 57.913 57.913 56.897 1.016 17741 4335 1 8 . 1 1 42 42 LEU CB C 372 42.136 42.136 41.269 0.867 17741 4336 1 8 . 1 1 42 42 LEU H H 372 8.876 8.876 7.835 1.041 17741 4337 1 8 . 1 1 43 43 ALA N N 373 120.103 120.103 122.257 -2.154 17741 4338 1 8 . 1 1 43 43 ALA HA H 373 4.462 4.462 4.131 0.331 17741 4339 1 8 . 1 1 43 43 ALA C C 373 179.091 179.091 179.144 -0.053 17741 4340 1 8 . 1 1 43 43 ALA CA C 373 55.441 55.441 55.332 0.109 17741 4341 1 8 . 1 1 43 43 ALA CB C 373 18.098 18.098 18.535 -0.437 17741 4342 1 8 . 1 1 43 43 ALA H H 373 8.062 8.062 8.511 -0.449 17741 4343 1 8 . 1 1 44 44 ARG N N 374 118.071 118.071 118.573 -0.502 17741 4344 1 8 . 1 1 44 44 ARG HA H 374 4.117 4.117 4.040 0.077 17741 4345 1 8 . 1 1 44 44 ARG C C 374 179.414 179.414 178.168 1.246 17741 4346 1 8 . 1 1 44 44 ARG CA C 374 59.297 59.297 59.230 0.067 17741 4347 1 8 . 1 1 44 44 ARG CB C 374 30.069 30.069 29.718 0.351 17741 4348 1 8 . 1 1 44 44 ARG H H 374 7.725 7.725 7.799 -0.074 17741 4349 1 8 . 1 1 45 45 LEU N N 375 121.601 121.601 120.740 0.861 17741 4350 1 8 . 1 1 45 45 LEU HA H 375 4.015 4.015 4.193 -0.178 17741 4351 1 8 . 1 1 45 45 LEU C C 375 180.087 180.087 179.052 1.035 17741 4352 1 8 . 1 1 45 45 LEU CA C 375 58.553 58.553 57.673 0.880 17741 4353 1 8 . 1 1 45 45 LEU CB C 375 41.495 41.495 41.324 0.171 17741 4354 1 8 . 1 1 45 45 LEU H H 375 7.877 7.877 7.276 0.601 17741 4355 1 8 . 1 1 46 46 TRP N N 376 121.543 121.543 120.663 0.880 17741 4356 1 8 . 1 1 46 46 TRP HA H 376 4.333 4.333 3.968 0.365 17741 4357 1 8 . 1 1 46 46 TRP C C 376 177.572 177.572 178.553 -0.981 17741 4358 1 8 . 1 1 46 46 TRP CA C 376 59.091 59.091 59.614 -0.523 17741 4359 1 8 . 1 1 46 46 TRP CB C 376 30.305 30.305 29.807 0.498 17741 4360 1 8 . 1 1 46 46 TRP H H 376 8.615 8.615 8.082 0.533 17741 4361 1 8 . 1 1 47 47 GLY N N 377 105.532 105.532 106.149 -0.617 17741 4362 1 8 . 1 1 47 47 GLY C C 377 176.057 176.057 176.031 0.026 17741 4363 1 8 . 1 1 47 47 GLY CA C 377 48.035 48.035 46.895 1.140 17741 4364 1 8 . 1 1 47 47 GLY H H 377 8.877 8.877 8.963 -0.086 17741 4365 1 8 . 1 1 48 48 ASN N N 378 119.996 119.996 120.727 -0.731 17741 4366 1 8 . 1 1 48 48 ASN HA H 378 4.403 4.403 4.442 -0.039 17741 4367 1 8 . 1 1 48 48 ASN C C 378 178.112 178.112 177.427 0.685 17741 4368 1 8 . 1 1 48 48 ASN CA C 378 56.229 56.229 55.850 0.379 17741 4369 1 8 . 1 1 48 48 ASN CB C 378 38.272 38.272 38.354 -0.082 17741 4370 1 8 . 1 1 48 48 ASN H H 378 8.176 8.176 8.323 -0.147 17741 4371 1 8 . 1 1 49 49 HIS N N 379 121.459 121.459 119.354 2.105 17741 4372 1 8 . 1 1 49 49 HIS HA H 379 4.129 4.129 4.366 -0.237 17741 4373 1 8 . 1 1 49 49 HIS C C 379 175.858 175.858 176.710 -0.852 17741 4374 1 8 . 1 1 49 49 HIS CA C 379 59.234 59.234 58.664 0.570 17741 4375 1 8 . 1 1 49 49 HIS CB C 379 29.473 29.473 29.877 -0.404 17741 4376 1 8 . 1 1 49 49 HIS H H 379 8.138 8.138 8.525 -0.387 17741 4377 1 8 . 1 1 50 50 LYS N N 380 115.130 115.130 115.660 -0.530 17741 4378 1 8 . 1 1 50 50 LYS HA H 380 3.797 3.797 3.940 -0.143 17741 4379 1 8 . 1 1 50 50 LYS C C 380 175.468 175.468 175.844 -0.376 17741 4380 1 8 . 1 1 50 50 LYS CA C 380 54.085 54.085 56.192 -2.107 17741 4381 1 8 . 1 1 50 50 LYS CB C 380 30.887 30.887 32.761 -1.874 17741 4382 1 8 . 1 1 50 50 LYS H H 380 7.552 7.552 7.535 0.017 17741 4383 1 8 . 1 1 51 51 ASN N N 381 116.632 116.632 116.732 -0.100 17741 4384 1 8 . 1 1 51 51 ASN HA H 381 4.264 4.264 4.268 -0.004 17741 4385 1 8 . 1 1 51 51 ASN C C 381 174.332 174.332 173.782 0.550 17741 4386 1 8 . 1 1 51 51 ASN CA C 381 54.189 54.189 54.049 0.140 17741 4387 1 8 . 1 1 51 51 ASN CB C 381 37.343 37.343 37.728 -0.385 17741 4388 1 8 . 1 1 51 51 ASN H H 381 7.715 7.715 7.791 -0.076 17741 4389 1 8 . 1 1 52 52 ARG N N 382 117.701 117.701 118.623 -0.922 17741 4390 1 8 . 1 1 52 52 ARG HA H 382 4.583 4.583 4.630 -0.047 17741 4391 1 8 . 1 1 52 52 ARG C C 382 176.172 176.172 176.585 -0.413 17741 4392 1 8 . 1 1 52 52 ARG CA C 382 54.167 54.167 53.991 0.176 17741 4393 1 8 . 1 1 52 52 ARG CB C 382 31.882 31.882 30.324 1.558 17741 4394 1 8 . 1 1 52 52 ARG H H 382 8.465 8.465 8.062 0.403 17741 4395 1 8 . 1 1 53 53 THR N N 383 114.338 114.338 119.334 -4.996 17741 4396 1 8 . 1 1 53 53 THR HA H 383 4.208 4.208 4.160 0.048 17741 4397 1 8 . 1 1 53 53 THR C C 383 174.496 174.496 175.192 -0.696 17741 4398 1 8 . 1 1 53 53 THR CA C 383 62.345 62.345 64.606 -2.261 17741 4399 1 8 . 1 1 53 53 THR CB C 383 69.699 69.699 68.967 0.732 17741 4400 1 8 . 1 1 53 53 THR H H 383 8.274 8.274 8.673 -0.399 17741 4401 1 8 . 1 1 54 54 ASN N N 384 119.031 119.031 119.713 -0.682 17741 4402 1 8 . 1 1 54 54 ASN HA H 384 4.607 4.607 4.827 -0.220 17741 4403 1 8 . 1 1 54 54 ASN C C 384 174.829 174.829 173.500 1.329 17741 4404 1 8 . 1 1 54 54 ASN CA C 384 53.155 53.155 52.444 0.711 17741 4405 1 8 . 1 1 54 54 ASN CB C 384 37.871 37.871 37.725 0.146 17741 4406 1 8 . 1 1 54 54 ASN H H 384 8.457 8.457 8.423 0.034 17741 4407 1 8 . 1 1 55 55 MET N N 385 119.922 119.922 119.556 0.366 17741 4408 1 8 . 1 1 55 55 MET HA H 385 4.558 4.558 4.632 -0.074 17741 4409 1 8 . 1 1 55 55 MET C C 385 174.921 174.921 174.610 0.311 17741 4410 1 8 . 1 1 55 55 MET CA C 385 55.271 55.271 55.988 -0.717 17741 4411 1 8 . 1 1 55 55 MET CB C 385 30.991 30.991 33.184 -2.193 17741 4412 1 8 . 1 1 55 55 MET H H 385 8.073 8.073 7.442 0.631 17741 4413 1 8 . 1 1 56 56 THR N N 386 113.771 113.771 114.283 -0.512 17741 4414 1 8 . 1 1 56 56 THR HA H 386 4.693 4.693 4.570 0.123 17741 4415 1 8 . 1 1 56 56 THR C C 386 175.459 175.459 174.236 1.223 17741 4416 1 8 . 1 1 56 56 THR CA C 386 59.043 59.043 60.530 -1.487 17741 4417 1 8 . 1 1 56 56 THR CB C 386 72.393 72.393 71.696 0.697 17741 4418 1 8 . 1 1 56 56 THR H H 386 7.076 7.076 7.763 -0.687 17741 4419 1 8 . 1 1 57 57 TYR N N 387 123.521 123.521 122.261 1.260 17741 4420 1 8 . 1 1 57 57 TYR HA H 387 4.127 4.127 4.242 -0.115 17741 4421 1 8 . 1 1 57 57 TYR C C 387 177.432 177.432 177.145 0.287 17741 4422 1 8 . 1 1 57 57 TYR CA C 387 62.527 62.527 61.129 1.398 17741 4423 1 8 . 1 1 57 57 TYR CB C 387 37.289 37.289 38.727 -1.438 17741 4424 1 8 . 1 1 57 57 TYR H H 387 9.726 9.726 8.917 0.809 17741 4425 1 8 . 1 1 58 58 GLU N N 388 121.083 121.083 121.108 -0.025 17741 4426 1 8 . 1 1 58 58 GLU HA H 388 3.825 3.825 3.917 -0.092 17741 4427 1 8 . 1 1 58 58 GLU C C 388 179.225 179.225 178.957 0.268 17741 4428 1 8 . 1 1 58 58 GLU CA C 388 60.476 60.476 59.331 1.145 17741 4429 1 8 . 1 1 58 58 GLU CB C 388 29.087 29.087 28.890 0.197 17741 4430 1 8 . 1 1 58 58 GLU H H 388 8.843 8.843 8.747 0.096 17741 4431 1 8 . 1 1 59 59 LYS N N 389 119.209 119.209 118.721 0.488 17741 4432 1 8 . 1 1 59 59 LYS HA H 389 3.971 3.971 4.001 -0.030 17741 4433 1 8 . 1 1 59 59 LYS C C 389 179.944 179.944 179.166 0.778 17741 4434 1 8 . 1 1 59 59 LYS CA C 389 59.897 59.897 58.907 0.990 17741 4435 1 8 . 1 1 59 59 LYS CB C 389 33.359 33.359 32.029 1.330 17741 4436 1 8 . 1 1 59 59 LYS H H 389 7.605 7.605 7.732 -0.127 17741 4437 1 8 . 1 1 60 60 MET N N 390 122.401 122.401 119.091 3.310 17741 4438 1 8 . 1 1 60 60 MET HA H 390 3.944 3.944 3.999 -0.055 17741 4439 1 8 . 1 1 60 60 MET C C 390 177.716 177.716 177.270 0.446 17741 4440 1 8 . 1 1 60 60 MET CA C 390 59.547 59.547 58.434 1.113 17741 4441 1 8 . 1 1 60 60 MET CB C 390 33.315 33.315 32.452 0.863 17741 4442 1 8 . 1 1 60 60 MET H H 390 8.229 8.229 7.344 0.885 17741 4443 1 8 . 1 1 61 61 SER N N 391 114.652 114.652 115.438 -0.786 17741 4444 1 8 . 1 1 61 61 SER HA H 391 3.771 3.771 3.814 -0.043 17741 4445 1 8 . 1 1 61 61 SER C C 391 176.449 176.449 176.379 0.070 17741 4446 1 8 . 1 1 61 61 SER CA C 391 61.554 61.554 61.158 0.396 17741 4447 1 8 . 1 1 61 61 SER CB C 391 62.278 62.278 62.410 -0.132 17741 4448 1 8 . 1 1 61 61 SER H H 391 8.829 8.829 8.043 0.786 17741 4449 1 8 . 1 1 62 62 ARG N N 392 122.213 122.213 121.366 0.847 17741 4450 1 8 . 1 1 62 62 ARG HA H 392 3.945 3.945 3.811 0.134 17741 4451 1 8 . 1 1 62 62 ARG C C 392 178.600 178.600 178.335 0.265 17741 4452 1 8 . 1 1 62 62 ARG CA C 392 59.571 59.571 58.313 1.258 17741 4453 1 8 . 1 1 62 62 ARG CB C 392 29.914 29.914 29.049 0.865 17741 4454 1 8 . 1 1 62 62 ARG H H 392 7.413 7.413 7.981 -0.568 17741 4455 1 8 . 1 1 63 63 ALA N N 393 122.327 122.327 121.579 0.748 17741 4456 1 8 . 1 1 63 63 ALA HA H 393 4.157 4.157 3.700 0.457 17741 4457 1 8 . 1 1 63 63 ALA C C 393 180.147 180.147 179.156 0.991 17741 4458 1 8 . 1 1 63 63 ALA CA C 393 54.749 54.749 54.538 0.211 17741 4459 1 8 . 1 1 63 63 ALA CB C 393 18.529 18.529 17.823 0.706 17741 4460 1 8 . 1 1 63 63 ALA H H 393 7.256 7.256 7.275 -0.019 17741 4461 1 8 . 1 1 64 64 LEU N N 394 117.582 117.582 117.990 -0.408 17741 4462 1 8 . 1 1 64 64 LEU HA H 394 3.769 3.769 3.545 0.224 17741 4463 1 8 . 1 1 64 64 LEU C C 394 178.139 178.139 178.584 -0.445 17741 4464 1 8 . 1 1 64 64 LEU CA C 394 58.012 58.012 57.257 0.755 17741 4465 1 8 . 1 1 64 64 LEU CB C 394 41.396 41.396 41.185 0.211 17741 4466 1 8 . 1 1 64 64 LEU H H 394 7.768 7.768 7.391 0.377 17741 4467 1 8 . 1 1 65 65 ARG N N 395 116.204 116.204 116.923 -0.719 17741 4468 1 8 . 1 1 65 65 ARG HA H 395 3.445 3.445 3.155 0.289 17741 4469 1 8 . 1 1 65 65 ARG C C 395 179.423 179.423 179.425 -0.002 17741 4470 1 8 . 1 1 65 65 ARG CA C 395 58.829 58.829 58.438 0.391 17741 4471 1 8 . 1 1 65 65 ARG CB C 395 29.776 29.776 29.370 0.406 17741 4472 1 8 . 1 1 65 65 ARG H H 395 7.595 7.595 8.203 -0.608 17741 4473 1 8 . 1 1 66 66 HIS N N 396 118.573 118.573 120.540 -1.967 17741 4474 1 8 . 1 1 66 66 HIS HA H 396 4.401 4.401 4.352 0.049 17741 4475 1 8 . 1 1 66 66 HIS C C 396 177.218 177.218 177.371 -0.153 17741 4476 1 8 . 1 1 66 66 HIS CA C 396 58.821 58.821 59.285 -0.465 17741 4477 1 8 . 1 1 66 66 HIS CB C 396 29.753 29.753 29.726 0.027 17741 4478 1 8 . 1 1 66 66 HIS H H 396 7.362 7.362 7.914 -0.552 17741 4479 1 8 . 1 1 67 67 TYR N N 397 115.773 115.773 118.846 -3.073 17741 4480 1 8 . 1 1 67 67 TYR HA H 397 4.259 4.259 4.066 0.193 17741 4481 1 8 . 1 1 67 67 TYR C C 397 178.802 178.802 177.976 0.826 17741 4482 1 8 . 1 1 67 67 TYR CA C 397 60.329 60.329 59.258 1.071 17741 4483 1 8 . 1 1 67 67 TYR CB C 397 37.379 37.379 36.793 0.586 17741 4484 1 8 . 1 1 67 67 TYR H H 397 7.568 7.568 7.706 -0.138 17741 4485 1 8 . 1 1 68 68 TYR N N 398 121.825 121.825 118.145 3.680 17741 4486 1 8 . 1 1 68 68 TYR HA H 398 5.413 5.413 4.679 0.734 17741 4487 1 8 . 1 1 68 68 TYR C C 398 181.169 181.169 178.766 2.403 17741 4488 1 8 . 1 1 68 68 TYR CA C 398 57.775 57.775 59.510 -1.735 17741 4489 1 8 . 1 1 68 68 TYR CB C 398 36.972 36.972 37.146 -0.174 17741 4490 1 8 . 1 1 68 68 TYR H H 398 8.116 8.116 7.524 0.592 17741 4491 1 8 . 1 1 69 69 LYS N N 399 120.934 120.934 117.383 3.551 17741 4492 1 8 . 1 1 69 69 LYS HA H 399 4.127 4.127 4.087 0.040 17741 4493 1 8 . 1 1 69 69 LYS C C 399 177.928 177.928 177.558 0.370 17741 4494 1 8 . 1 1 69 69 LYS CA C 399 58.912 58.912 59.079 -0.167 17741 4495 1 8 . 1 1 69 69 LYS CB C 399 32.188 32.188 31.984 0.204 17741 4496 1 8 . 1 1 69 69 LYS H H 399 7.771 7.771 8.204 -0.433 17741 4497 1 8 . 1 1 70 70 LEU N N 400 116.022 116.022 116.702 -0.680 17741 4498 1 8 . 1 1 70 70 LEU HA H 400 4.291 4.291 4.281 0.010 17741 4499 1 8 . 1 1 70 70 LEU C C 400 175.827 175.827 176.156 -0.329 17741 4500 1 8 . 1 1 70 70 LEU CA C 400 54.675 54.675 54.434 0.241 17741 4501 1 8 . 1 1 70 70 LEU CB C 400 43.081 43.081 40.897 2.184 17741 4502 1 8 . 1 1 70 70 LEU H H 400 7.144 7.144 7.380 -0.236 17741 4503 1 8 . 1 1 71 71 ASN N N 401 115.201 115.201 114.236 0.965 17741 4504 1 8 . 1 1 71 71 ASN HA H 401 4.352 4.352 4.340 0.012 17741 4505 1 8 . 1 1 71 71 ASN C C 401 173.517 173.517 174.662 -1.145 17741 4506 1 8 . 1 1 71 71 ASN CA C 401 54.602 54.602 54.704 -0.102 17741 4507 1 8 . 1 1 71 71 ASN CB C 401 37.381 37.381 37.345 0.036 17741 4508 1 8 . 1 1 71 71 ASN H H 401 8.047 8.047 7.706 0.341 17741 4509 1 8 . 1 1 72 72 ILE N N 402 113.907 113.907 116.094 -2.187 17741 4510 1 8 . 1 1 72 72 ILE HA H 402 4.059 4.059 4.110 -0.051 17741 4511 1 8 . 1 1 72 72 ILE C C 402 176.279 176.279 175.321 0.958 17741 4512 1 8 . 1 1 72 72 ILE CA C 402 63.797 63.797 62.531 1.266 17741 4513 1 8 . 1 1 72 72 ILE CB C 402 40.395 40.395 40.325 0.070 17741 4514 1 8 . 1 1 72 72 ILE H H 402 7.986 7.986 8.409 -0.423 17741 4515 1 8 . 1 1 73 73 ILE N N 403 116.766 116.766 115.849 0.917 17741 4516 1 8 . 1 1 73 73 ILE HA H 403 5.042 5.042 4.709 0.333 17741 4517 1 8 . 1 1 73 73 ILE C C 403 173.945 173.945 174.279 -0.334 17741 4518 1 8 . 1 1 73 73 ILE CA C 403 59.247 59.247 59.187 0.060 17741 4519 1 8 . 1 1 73 73 ILE CB C 403 43.414 43.414 42.149 1.265 17741 4520 1 8 . 1 1 73 73 ILE H H 403 7.042 7.042 7.167 -0.125 17741 4521 1 8 . 1 1 74 74 ARG N N 404 123.256 123.256 121.548 1.708 17741 4522 1 8 . 1 1 74 74 ARG HA H 404 4.751 4.751 4.472 0.279 17741 4523 1 8 . 1 1 74 74 ARG C C 404 174.757 174.757 173.706 1.051 17741 4524 1 8 . 1 1 74 74 ARG CA C 404 54.274 54.274 54.048 0.226 17741 4525 1 8 . 1 1 74 74 ARG CB C 404 34.492 34.492 34.257 0.235 17741 4526 1 8 . 1 1 74 74 ARG H H 404 8.931 8.931 8.851 0.080 17741 4527 1 8 . 1 1 75 75 LYS N N 405 125.627 125.627 120.690 4.937 17741 4528 1 8 . 1 1 75 75 LYS HA H 405 4.076 4.076 4.459 -0.383 17741 4529 1 8 . 1 1 75 75 LYS C C 405 176.481 176.481 176.007 0.474 17741 4530 1 8 . 1 1 75 75 LYS CA C 405 56.446 56.446 53.663 2.783 17741 4531 1 8 . 1 1 75 75 LYS CB C 405 32.758 32.758 33.504 -0.746 17741 4532 1 8 . 1 1 75 75 LYS H H 405 8.294 8.294 7.991 0.303 17741 4533 1 8 . 1 1 76 76 GLU N N 406 128.187 128.187 124.874 3.313 17741 4534 1 8 . 1 1 76 76 GLU HA H 406 4.447 4.447 4.475 -0.028 17741 4535 1 8 . 1 1 76 76 GLU C C 406 174.401 174.401 175.387 -0.986 17741 4536 1 8 . 1 1 76 76 GLU CA C 406 53.751 53.751 53.522 0.229 17741 4537 1 8 . 1 1 76 76 GLU CB C 406 29.951 29.951 29.068 0.883 17741 4538 1 8 . 1 1 76 76 GLU H H 406 8.016 8.016 7.716 0.300 17741 4539 1 8 . 1 1 77 77 PRO HA H 407 4.288 4.288 4.275 0.013 17741 4540 1 8 . 1 1 77 77 PRO C C 407 177.654 177.654 177.464 0.190 17741 4541 1 8 . 1 1 77 77 PRO CA C 407 63.433 63.433 63.624 -0.191 17741 4542 1 8 . 1 1 77 77 PRO CB C 407 32.152 32.152 30.791 1.361 17741 4543 1 8 . 1 1 78 78 GLY N N 408 109.679 109.679 113.669 -3.990 17741 4544 1 8 . 1 1 78 78 GLY C C 408 173.976 173.976 174.286 -0.310 17741 4545 1 8 . 1 1 78 78 GLY CA C 408 45.539 45.539 44.740 0.799 17741 4546 1 8 . 1 1 78 78 GLY H H 408 8.514 8.514 8.654 -0.140 17741 4547 1 8 . 1 1 79 79 GLN N N 409 116.897 116.897 120.056 -3.159 17741 4548 1 8 . 1 1 79 79 GLN HA H 409 4.489 4.489 4.335 0.154 17741 4549 1 8 . 1 1 79 79 GLN C C 409 175.371 175.371 175.760 -0.389 17741 4550 1 8 . 1 1 79 79 GLN CA C 409 54.472 54.472 55.246 -0.774 17741 4551 1 8 . 1 1 79 79 GLN CB C 409 31.301 31.301 29.952 1.349 17741 4552 1 8 . 1 1 79 79 GLN H H 409 7.572 7.572 7.536 0.036 17741 4553 1 8 . 1 1 80 80 ARG N N 410 120.458 120.458 121.291 -0.833 17741 4554 1 8 . 1 1 80 80 ARG HA H 410 4.275 4.275 4.246 0.029 17741 4555 1 8 . 1 1 80 80 ARG C C 410 176.227 176.227 177.234 -1.007 17741 4556 1 8 . 1 1 80 80 ARG CA C 410 56.891 56.891 58.185 -1.294 17741 4557 1 8 . 1 1 80 80 ARG CB C 410 31.475 31.475 30.168 1.307 17741 4558 1 8 . 1 1 80 80 ARG H H 410 8.254 8.254 8.556 -0.302 17741 4559 1 8 . 1 1 81 81 LEU N N 411 119.424 119.424 118.644 0.780 17741 4560 1 8 . 1 1 81 81 LEU HA H 411 4.048 4.048 4.687 -0.639 17741 4561 1 8 . 1 1 81 81 LEU C C 411 173.277 173.277 175.306 -2.029 17741 4562 1 8 . 1 1 81 81 LEU CA C 411 55.111 55.111 53.402 1.709 17741 4563 1 8 . 1 1 81 81 LEU CB C 411 40.298 40.298 42.867 -2.569 17741 4564 1 8 . 1 1 81 81 LEU H H 411 8.467 8.467 8.133 0.334 17741 4565 1 8 . 1 1 82 82 LEU N N 412 119.126 119.126 121.917 -2.791 17741 4566 1 8 . 1 1 82 82 LEU HA H 412 5.036 5.036 4.786 0.250 17741 4567 1 8 . 1 1 82 82 LEU C C 412 175.323 175.323 174.573 0.750 17741 4568 1 8 . 1 1 82 82 LEU CA C 412 53.175 53.175 53.835 -0.660 17741 4569 1 8 . 1 1 82 82 LEU CB C 412 45.482 45.482 43.064 2.418 17741 4570 1 8 . 1 1 82 82 LEU H H 412 6.769 6.769 7.199 -0.430 17741 4571 1 8 . 1 1 83 83 PHE N N 413 122.107 122.107 124.091 -1.984 17741 4572 1 8 . 1 1 83 83 PHE HA H 413 4.848 4.848 4.933 -0.085 17741 4573 1 8 . 1 1 83 83 PHE C C 413 172.764 172.764 173.690 -0.926 17741 4574 1 8 . 1 1 83 83 PHE CA C 413 55.848 55.848 56.045 -0.197 17741 4575 1 8 . 1 1 83 83 PHE CB C 413 44.675 44.675 42.316 2.359 17741 4576 1 8 . 1 1 83 83 PHE H H 413 8.648 8.648 9.032 -0.384 17741 4577 1 8 . 1 1 84 84 ARG N N 414 119.466 119.466 123.275 -3.809 17741 4578 1 8 . 1 1 84 84 ARG HA H 414 5.578 5.578 5.097 0.481 17741 4579 1 8 . 1 1 84 84 ARG C C 414 177.476 177.476 175.234 2.242 17741 4580 1 8 . 1 1 84 84 ARG CA C 414 54.198 54.198 54.168 0.030 17741 4581 1 8 . 1 1 84 84 ARG CB C 414 36.128 36.128 33.255 2.873 17741 4582 1 8 . 1 1 84 84 ARG H H 414 9.117 9.117 8.247 0.870 17741 4583 1 8 . 1 1 85 85 PHE N N 415 124.357 124.357 127.194 -2.837 17741 4584 1 8 . 1 1 85 85 PHE HA H 415 5.037 5.037 4.718 0.319 17741 4585 1 8 . 1 1 85 85 PHE C C 415 176.084 176.084 176.013 0.071 17741 4586 1 8 . 1 1 85 85 PHE CA C 415 59.719 59.719 60.237 -0.518 17741 4587 1 8 . 1 1 85 85 PHE CB C 415 40.812 40.812 38.879 1.933 17741 4588 1 8 . 1 1 85 85 PHE H H 415 8.984 8.984 9.369 -0.385 17741 4589 1 8 . 1 1 86 86 MET N N 416 121.301 121.301 122.932 -1.631 17741 4590 1 8 . 1 1 86 86 MET HA H 416 4.670 4.670 4.166 0.504 17741 4591 1 8 . 1 1 86 86 MET C C 416 176.543 176.543 176.705 -0.162 17741 4592 1 8 . 1 1 86 86 MET CA C 416 54.863 54.863 58.322 -3.459 17741 4593 1 8 . 1 1 86 86 MET CB C 416 31.711 31.711 32.937 -1.226 17741 4594 1 8 . 1 1 86 86 MET H H 416 8.671 8.671 8.497 0.174 17741 4595 1 8 . 1 1 87 87 LYS N N 417 117.759 117.759 114.862 2.897 17741 4596 1 8 . 1 1 87 87 LYS HA H 417 4.856 4.856 4.717 0.139 17741 4597 1 8 . 1 1 87 87 LYS C C 417 175.445 175.445 175.699 -0.254 17741 4598 1 8 . 1 1 87 87 LYS CA C 417 54.550 54.550 54.723 -0.173 17741 4599 1 8 . 1 1 87 87 LYS CB C 417 37.828 37.828 36.759 1.069 17741 4600 1 8 . 1 1 87 87 LYS H H 417 7.656 7.656 7.592 0.064 17741 4601 1 8 . 1 1 88 88 THR N N 418 112.506 112.506 112.495 0.011 17741 4602 1 8 . 1 1 88 88 THR HA H 418 4.372 4.372 4.995 -0.623 17741 4603 1 8 . 1 1 88 88 THR C C 418 173.594 173.594 173.788 -0.194 17741 4604 1 8 . 1 1 88 88 THR CA C 418 59.640 59.640 58.795 0.845 17741 4605 1 8 . 1 1 88 88 THR CB C 418 68.065 68.065 69.309 -1.244 17741 4606 1 8 . 1 1 88 88 THR H H 418 8.685 8.685 9.184 -0.499 17741 4607 1 8 . 1 1 89 89 PRO HA H 419 3.748 3.748 3.820 -0.072 17741 4608 1 8 . 1 1 89 89 PRO C C 419 177.219 177.219 178.287 -1.068 17741 4609 1 8 . 1 1 89 89 PRO CA C 419 65.592 65.592 66.233 -0.641 17741 4610 1 8 . 1 1 89 89 PRO CB C 419 31.739 31.739 31.660 0.079 17741 4611 1 8 . 1 1 90 90 ASP N N 420 114.631 114.631 115.950 -1.319 17741 4612 1 8 . 1 1 90 90 ASP HA H 420 4.265 4.265 4.394 -0.129 17741 4613 1 8 . 1 1 90 90 ASP C C 420 177.962 177.962 177.747 0.215 17741 4614 1 8 . 1 1 90 90 ASP CA C 420 56.371 56.371 56.591 -0.220 17741 4615 1 8 . 1 1 90 90 ASP CB C 420 40.662 40.662 40.610 0.052 17741 4616 1 8 . 1 1 90 90 ASP H H 420 7.962 7.962 8.600 -0.638 17741 4617 1 8 . 1 1 91 91 GLU N N 421 119.501 119.501 118.913 0.588 17741 4618 1 8 . 1 1 91 91 GLU HA H 421 4.043 4.043 4.158 -0.115 17741 4619 1 8 . 1 1 91 91 GLU C C 421 178.599 178.599 178.809 -0.210 17741 4620 1 8 . 1 1 91 91 GLU CA C 421 58.113 58.113 58.625 -0.512 17741 4621 1 8 . 1 1 91 91 GLU CB C 421 30.721 30.721 30.226 0.495 17741 4622 1 8 . 1 1 91 91 GLU H H 421 7.661 7.661 7.798 -0.137 17741 4623 1 8 . 1 1 92 92 ILE N N 422 120.594 120.594 120.323 0.271 17741 4624 1 8 . 1 1 92 92 ILE HA H 422 3.641 3.641 3.759 -0.118 17741 4625 1 8 . 1 1 92 92 ILE C C 422 177.752 177.752 177.648 0.104 17741 4626 1 8 . 1 1 92 92 ILE CA C 422 62.931 62.931 64.774 -1.843 17741 4627 1 8 . 1 1 92 92 ILE CB C 422 38.185 38.185 37.861 0.325 17741 4628 1 8 . 1 1 92 92 ILE H H 422 7.861 7.861 8.137 -0.277 17741 4629 1 8 . 1 1 93 93 MET N N 423 119.187 119.187 116.005 3.182 17741 4630 1 8 . 1 1 93 93 MET HA H 423 4.391 4.391 4.467 -0.076 17741 4631 1 8 . 1 1 93 93 MET C C 423 176.982 176.982 176.071 0.911 17741 4632 1 8 . 1 1 93 93 MET CA C 423 56.491 56.491 56.740 -0.249 17741 4633 1 8 . 1 1 93 93 MET CB C 423 32.584 32.584 32.193 0.391 17741 4634 1 8 . 1 1 93 93 MET H H 423 8.158 8.158 7.710 0.448 17741 4635 1 8 . 1 1 94 94 SER N N 424 114.933 114.933 113.168 1.765 17741 4636 1 8 . 1 1 94 94 SER HA H 424 4.394 4.394 4.446 -0.052 17741 4637 1 8 . 1 1 94 94 SER C C 424 175.238 175.238 175.219 0.019 17741 4638 1 8 . 1 1 94 94 SER CA C 424 59.423 59.423 58.231 1.192 17741 4639 1 8 . 1 1 94 94 SER CB C 424 63.695 63.695 62.617 1.077 17741 4640 1 8 . 1 1 94 94 SER H H 424 7.854 7.854 7.447 0.407 17741 4641 1 8 . 1 1 95 95 GLY N N 425 110.045 110.045 110.406 -0.361 17741 4642 1 8 . 1 1 95 95 GLY C C 425 174.194 174.194 175.842 -1.648 17741 4643 1 8 . 1 1 95 95 GLY CA C 425 45.432 45.432 45.527 -0.095 17741 4644 1 8 . 1 1 95 95 GLY H H 425 8.061 8.061 8.408 -0.347 17741 4645 1 8 . 1 1 96 96 ARG N N 426 119.987 119.987 121.353 -1.366 17741 4646 1 8 . 1 1 96 96 ARG HA H 426 4.475 4.475 4.221 0.254 17741 4647 1 8 . 1 1 96 96 ARG C C 426 177.308 177.308 177.539 -0.231 17741 4648 1 8 . 1 1 96 96 ARG CA C 426 56.195 56.195 58.451 -2.256 17741 4649 1 8 . 1 1 96 96 ARG CB C 426 30.354 30.354 30.148 0.206 17741 4650 1 8 . 1 1 96 96 ARG H H 426 8.092 8.092 7.701 0.391 17741 4651 1 8 . 1 1 97 97 THR N N 427 114.398 114.398 112.379 2.019 17741 4652 1 8 . 1 1 97 97 THR HA H 427 4.298 4.298 4.601 -0.303 17741 4653 1 8 . 1 1 97 97 THR C C 427 174.913 174.913 174.919 -0.006 17741 4654 1 8 . 1 1 97 97 THR CA C 427 62.673 62.673 61.784 0.889 17741 4655 1 8 . 1 1 97 97 THR CB C 427 69.473 69.473 69.122 0.351 17741 4656 1 8 . 1 1 97 97 THR H H 427 8.319 8.319 7.576 0.743 17741 4657 1 8 . 1 1 98 98 ASP N N 428 121.983 121.983 122.408 -0.425 17741 4658 1 8 . 1 1 98 98 ASP HA H 428 4.508 4.508 4.561 -0.053 17741 4659 1 8 . 1 1 98 98 ASP C C 428 176.956 176.956 177.736 -0.780 17741 4660 1 8 . 1 1 98 98 ASP CA C 428 55.433 55.433 57.138 -1.705 17741 4661 1 8 . 1 1 98 98 ASP CB C 428 40.746 40.746 40.428 0.318 17741 4662 1 8 . 1 1 98 98 ASP H H 428 8.488 8.488 8.691 -0.203 17741 4663 1 8 . 1 1 99 99 ARG N N 429 119.821 119.821 117.862 1.959 17741 4664 1 8 . 1 1 99 99 ARG HA H 429 4.277 4.277 4.118 0.159 17741 4665 1 8 . 1 1 99 99 ARG C C 429 177.078 177.078 178.445 -1.367 17741 4666 1 8 . 1 1 99 99 ARG CA C 429 56.984 56.984 58.994 -2.010 17741 4667 1 8 . 1 1 99 99 ARG CB C 429 30.224 30.224 30.312 -0.088 17741 4668 1 8 . 1 1 99 99 ARG H H 429 8.088 8.088 7.888 0.200 17741 4669 1 8 . 1 1 100 100 LEU N N 430 120.887 120.887 121.237 -0.350 17741 4670 1 8 . 1 1 100 100 LEU HA H 430 4.176 4.176 4.285 -0.109 17741 4671 1 8 . 1 1 100 100 LEU C C 430 177.732 177.732 178.691 -0.959 17741 4672 1 8 . 1 1 100 100 LEU CA C 430 56.324 56.324 57.862 -1.538 17741 4673 1 8 . 1 1 100 100 LEU CB C 430 42.262 42.262 41.945 0.317 17741 4674 1 8 . 1 1 100 100 LEU H H 430 7.945 7.945 8.172 -0.227 17741 4675 1 8 . 1 1 101 101 GLU N N 431 119.799 119.799 116.564 3.235 17741 4676 1 8 . 1 1 101 101 GLU HA H 431 4.082 4.082 3.739 0.343 17741 4677 1 8 . 1 1 101 101 GLU C C 431 177.281 177.281 177.277 0.004 17741 4678 1 8 . 1 1 101 101 GLU CA C 431 58.011 58.011 58.588 -0.577 17741 4679 1 8 . 1 1 101 101 GLU CB C 431 30.191 30.191 29.133 1.058 17741 4680 1 8 . 1 1 101 101 GLU H H 431 8.268 8.268 7.857 0.411 17741 4681 1 8 . 1 1 102 102 HIS N N 432 118.048 118.048 114.302 3.746 17741 4682 1 8 . 1 1 102 102 HIS HA H 432 4.584 4.584 4.444 0.140 17741 4683 1 8 . 1 1 102 102 HIS C C 432 175.678 175.678 177.074 -1.396 17741 4684 1 8 . 1 1 102 102 HIS CA C 432 56.571 56.571 58.409 -1.838 17741 4685 1 8 . 1 1 102 102 HIS CB C 432 29.352 29.352 30.175 -0.823 17741 4686 1 8 . 1 1 102 102 HIS H H 432 8.166 8.166 8.090 0.076 17741 4687 1 8 . 1 1 103 103 LEU N N 433 122.228 122.228 117.966 4.262 17741 4688 1 8 . 1 1 103 103 LEU HA H 433 4.176 4.176 4.209 -0.033 17741 4689 1 8 . 1 1 103 103 LEU C C 433 177.904 177.904 178.852 -0.948 17741 4690 1 8 . 1 1 103 103 LEU CA C 433 56.237 56.237 56.869 -0.632 17741 4691 1 8 . 1 1 103 103 LEU CB C 433 42.305 42.305 42.084 0.221 17741 4692 1 8 . 1 1 103 103 LEU H H 433 8.072 8.072 7.517 0.555 17741 4693 1 8 . 1 1 104 104 GLU N N 434 119.413 119.413 119.194 0.219 17741 4694 1 8 . 1 1 104 104 GLU HA H 434 4.309 4.309 4.157 0.152 17741 4695 1 8 . 1 1 104 104 GLU C C 434 176.560 176.560 177.733 -1.173 17741 4696 1 8 . 1 1 104 104 GLU CA C 434 57.098 57.098 58.644 -1.546 17741 4697 1 8 . 1 1 104 104 GLU CB C 434 30.301 30.301 28.740 1.561 17741 4698 1 8 . 1 1 104 104 GLU H H 434 8.331 8.331 8.033 0.298 17741 4699 1 8 . 1 1 105 105 SER N N 435 115.859 115.859 112.884 2.975 17741 4700 1 8 . 1 1 105 105 SER HA H 435 4.443 4.443 4.572 -0.129 17741 4701 1 8 . 1 1 105 105 SER C C 435 173.630 173.630 174.671 -1.041 17741 4702 1 8 . 1 1 105 105 SER CA C 435 58.591 58.591 58.664 -0.073 17741 4703 1 8 . 1 1 105 105 SER CB C 435 64.066 64.066 63.236 0.830 17741 4704 1 8 . 1 1 105 105 SER H H 435 7.976 7.976 8.083 -0.107 17741 4705 1 9 . 1 1 5 5 ARG N N 335 123.531 123.531 122.132 1.399 17741 4706 1 9 . 1 1 5 5 ARG HA H 335 4.411 4.411 4.363 0.048 17741 4707 1 9 . 1 1 5 5 ARG C C 335 176.473 176.473 175.871 0.602 17741 4708 1 9 . 1 1 5 5 ARG CA C 335 56.571 56.571 55.463 1.108 17741 4709 1 9 . 1 1 5 5 ARG CB C 335 31.352 31.352 30.706 0.646 17741 4710 1 9 . 1 1 5 5 ARG H H 335 9.347 9.347 8.387 0.960 17741 4711 1 9 . 1 1 6 6 LEU N N 336 121.545 121.545 123.115 -1.570 17741 4712 1 9 . 1 1 6 6 LEU HA H 336 4.293 4.293 4.283 0.010 17741 4713 1 9 . 1 1 6 6 LEU C C 336 178.837 178.837 177.376 1.461 17741 4714 1 9 . 1 1 6 6 LEU CA C 336 54.652 54.652 55.463 -0.811 17741 4715 1 9 . 1 1 6 6 LEU CB C 336 43.365 43.365 41.710 1.655 17741 4716 1 9 . 1 1 6 6 LEU H H 336 8.556 8.556 8.502 0.054 17741 4717 1 9 . 1 1 7 7 LEU HA H 337 3.441 3.441 3.012 0.429 17741 4718 1 9 . 1 1 7 7 LEU C C 337 177.908 177.908 178.192 -0.284 17741 4719 1 9 . 1 1 7 7 LEU CA C 337 58.771 58.771 58.435 0.336 17741 4720 1 9 . 1 1 7 7 LEU CB C 337 40.192 40.192 41.691 -1.500 17741 4721 1 9 . 1 1 8 8 TRP N N 338 114.624 114.624 117.692 -3.068 17741 4722 1 9 . 1 1 8 8 TRP HA H 338 3.785 3.785 4.303 -0.518 17741 4723 1 9 . 1 1 8 8 TRP C C 338 175.318 175.318 177.740 -2.422 17741 4724 1 9 . 1 1 8 8 TRP CA C 338 59.891 59.891 59.805 0.086 17741 4725 1 9 . 1 1 8 8 TRP CB C 338 28.359 28.359 28.055 0.304 17741 4726 1 9 . 1 1 8 8 TRP H H 338 7.515 7.515 7.437 0.078 17741 4727 1 9 . 1 1 9 9 ASP HA H 339 3.813 3.813 4.173 -0.360 17741 4728 1 9 . 1 1 9 9 ASP C C 339 177.355 177.355 177.924 -0.569 17741 4729 1 9 . 1 1 9 9 ASP CA C 339 56.291 56.291 57.151 -0.860 17741 4730 1 9 . 1 1 9 9 ASP CB C 339 41.591 41.591 40.058 1.533 17741 4731 1 9 . 1 1 10 10 TYR N N 340 120.906 120.906 120.592 0.314 17741 4732 1 9 . 1 1 10 10 TYR HA H 340 3.897 3.897 4.036 -0.139 17741 4733 1 9 . 1 1 10 10 TYR C C 340 177.011 177.011 177.543 -0.532 17741 4734 1 9 . 1 1 10 10 TYR CA C 340 61.913 61.913 60.651 1.262 17741 4735 1 9 . 1 1 10 10 TYR CB C 340 39.482 39.482 38.390 1.092 17741 4736 1 9 . 1 1 10 10 TYR H H 340 8.005 8.005 7.824 0.181 17741 4737 1 9 . 1 1 11 11 VAL N N 341 115.016 115.016 118.210 -3.194 17741 4738 1 9 . 1 1 11 11 VAL HA H 341 2.992 2.992 3.094 -0.102 17741 4739 1 9 . 1 1 11 11 VAL C C 341 176.751 176.751 177.128 -0.377 17741 4740 1 9 . 1 1 11 11 VAL CA C 341 66.910 66.910 66.433 0.477 17741 4741 1 9 . 1 1 11 11 VAL CB C 341 30.968 30.968 30.930 0.038 17741 4742 1 9 . 1 1 11 11 VAL H H 341 8.287 8.287 8.008 0.279 17741 4743 1 9 . 1 1 12 12 TYR N N 342 119.030 119.030 119.453 -0.423 17741 4744 1 9 . 1 1 12 12 TYR HA H 342 3.641 3.641 3.831 -0.190 17741 4745 1 9 . 1 1 12 12 TYR C C 342 178.659 178.659 177.879 0.780 17741 4746 1 9 . 1 1 12 12 TYR CA C 342 63.010 63.010 62.268 0.742 17741 4747 1 9 . 1 1 12 12 TYR CB C 342 38.212 38.212 37.645 0.568 17741 4748 1 9 . 1 1 12 12 TYR H H 342 7.673 7.673 8.077 -0.404 17741 4749 1 9 . 1 1 13 13 GLN N N 343 119.113 119.113 118.974 0.139 17741 4750 1 9 . 1 1 13 13 GLN HA H 343 3.828 3.828 4.115 -0.287 17741 4751 1 9 . 1 1 13 13 GLN C C 343 179.955 179.955 177.945 2.010 17741 4752 1 9 . 1 1 13 13 GLN CA C 343 58.871 58.871 58.421 0.450 17741 4753 1 9 . 1 1 13 13 GLN CB C 343 27.514 27.514 27.809 -0.295 17741 4754 1 9 . 1 1 13 13 GLN H H 343 8.161 8.161 7.594 0.567 17741 4755 1 9 . 1 1 14 14 LEU N N 344 121.401 121.401 119.448 1.953 17741 4756 1 9 . 1 1 14 14 LEU HA H 344 3.611 3.611 3.952 -0.341 17741 4757 1 9 . 1 1 14 14 LEU C C 344 179.789 179.789 178.563 1.226 17741 4758 1 9 . 1 1 14 14 LEU CA C 344 58.043 58.043 56.777 1.266 17741 4759 1 9 . 1 1 14 14 LEU CB C 344 41.598 41.598 41.290 0.308 17741 4760 1 9 . 1 1 14 14 LEU H H 344 7.825 7.825 7.651 0.174 17741 4761 1 9 . 1 1 15 15 LEU N N 345 116.853 116.853 115.948 0.905 17741 4762 1 9 . 1 1 15 15 LEU HA H 345 3.504 3.504 3.843 -0.339 17741 4763 1 9 . 1 1 15 15 LEU C C 345 178.149 178.149 178.721 -0.572 17741 4764 1 9 . 1 1 15 15 LEU CA C 345 56.473 56.473 55.706 0.767 17741 4765 1 9 . 1 1 15 15 LEU CB C 345 41.322 41.322 40.659 0.663 17741 4766 1 9 . 1 1 15 15 LEU H H 345 7.503 7.503 8.049 -0.546 17741 4767 1 9 . 1 1 16 16 SER N N 346 112.491 112.491 112.616 -0.125 17741 4768 1 9 . 1 1 16 16 SER HA H 346 4.522 4.522 4.557 -0.035 17741 4769 1 9 . 1 1 16 16 SER C C 346 172.441 172.441 174.783 -2.342 17741 4770 1 9 . 1 1 16 16 SER CA C 346 58.859 58.859 59.998 -1.139 17741 4771 1 9 . 1 1 16 16 SER CB C 346 63.987 63.987 63.994 -0.007 17741 4772 1 9 . 1 1 16 16 SER H H 346 7.277 7.277 7.280 -0.003 17741 4773 1 9 . 1 1 17 17 ASP N N 347 122.161 122.161 121.225 0.936 17741 4774 1 9 . 1 1 17 17 ASP HA H 347 4.966 4.966 4.788 0.178 17741 4775 1 9 . 1 1 17 17 ASP C C 347 175.692 175.692 176.790 -1.098 17741 4776 1 9 . 1 1 17 17 ASP CA C 347 52.805 52.805 53.852 -1.047 17741 4777 1 9 . 1 1 17 17 ASP CB C 347 43.392 43.392 42.157 1.235 17741 4778 1 9 . 1 1 17 17 ASP H H 347 7.345 7.345 7.889 -0.544 17741 4779 1 9 . 1 1 18 18 SER N N 348 120.164 120.164 122.913 -2.749 17741 4780 1 9 . 1 1 18 18 SER HA H 348 4.356 4.356 4.282 0.074 17741 4781 1 9 . 1 1 18 18 SER C C 348 176.200 176.200 176.065 0.135 17741 4782 1 9 . 1 1 18 18 SER CA C 348 61.207 61.207 59.655 1.552 17741 4783 1 9 . 1 1 18 18 SER CB C 348 63.226 63.226 63.014 0.212 17741 4784 1 9 . 1 1 18 18 SER H H 348 8.686 8.686 8.905 -0.219 17741 4785 1 9 . 1 1 19 19 ARG N N 349 122.701 122.701 121.219 1.482 17741 4786 1 9 . 1 1 19 19 ARG HA H 349 4.105 4.105 3.961 0.144 17741 4787 1 9 . 1 1 19 19 ARG C C 349 178.120 178.120 176.719 1.401 17741 4788 1 9 . 1 1 19 19 ARG CA C 349 58.604 58.604 58.151 0.453 17741 4789 1 9 . 1 1 19 19 ARG CB C 349 29.854 29.854 29.362 0.492 17741 4790 1 9 . 1 1 19 19 ARG H H 349 8.597 8.597 8.552 0.045 17741 4791 1 9 . 1 1 20 20 TYR N N 350 116.257 116.257 116.090 0.167 17741 4792 1 9 . 1 1 20 20 TYR HA H 350 4.884 4.884 4.682 0.202 17741 4793 1 9 . 1 1 20 20 TYR C C 350 176.977 176.977 175.603 1.374 17741 4794 1 9 . 1 1 20 20 TYR CA C 350 58.758 58.758 56.586 2.172 17741 4795 1 9 . 1 1 20 20 TYR CB C 350 37.602 37.602 38.141 -0.539 17741 4796 1 9 . 1 1 20 20 TYR H H 350 8.285 8.285 7.671 0.614 17741 4797 1 9 . 1 1 21 21 GLU N N 351 120.807 120.807 121.037 -0.230 17741 4798 1 9 . 1 1 21 21 GLU HA H 351 4.454 4.454 4.491 -0.037 17741 4799 1 9 . 1 1 21 21 GLU C C 351 176.277 176.277 177.486 -1.209 17741 4800 1 9 . 1 1 21 21 GLU CA C 351 59.135 59.135 57.882 1.253 17741 4801 1 9 . 1 1 21 21 GLU CB C 351 29.674 29.674 28.719 0.955 17741 4802 1 9 . 1 1 21 21 GLU H H 351 7.527 7.527 7.618 -0.091 17741 4803 1 9 . 1 1 22 22 ASN N N 352 114.501 114.501 115.951 -1.450 17741 4804 1 9 . 1 1 22 22 ASN HA H 352 4.471 4.471 4.536 -0.065 17741 4805 1 9 . 1 1 22 22 ASN C C 352 174.426 174.426 175.869 -1.443 17741 4806 1 9 . 1 1 22 22 ASN CA C 352 54.002 54.002 54.900 -0.898 17741 4807 1 9 . 1 1 22 22 ASN CB C 352 36.943 36.943 38.448 -1.505 17741 4808 1 9 . 1 1 22 22 ASN H H 352 8.647 8.647 8.098 0.549 17741 4809 1 9 . 1 1 23 23 PHE N N 353 115.528 115.528 115.491 0.037 17741 4810 1 9 . 1 1 23 23 PHE HA H 353 4.751 4.751 4.767 -0.016 17741 4811 1 9 . 1 1 23 23 PHE C C 353 176.374 176.374 175.721 0.653 17741 4812 1 9 . 1 1 23 23 PHE CA C 353 59.617 59.617 57.948 1.669 17741 4813 1 9 . 1 1 23 23 PHE CB C 353 41.431 41.431 41.166 0.265 17741 4814 1 9 . 1 1 23 23 PHE H H 353 8.578 8.578 7.749 0.829 17741 4815 1 9 . 1 1 24 24 ILE N N 354 120.520 120.520 118.481 2.039 17741 4816 1 9 . 1 1 24 24 ILE HA H 354 5.063 5.063 5.074 -0.011 17741 4817 1 9 . 1 1 24 24 ILE C C 354 170.331 170.331 172.979 -2.648 17741 4818 1 9 . 1 1 24 24 ILE CA C 354 59.835 59.835 60.692 -0.857 17741 4819 1 9 . 1 1 24 24 ILE CB C 354 40.605 40.605 41.957 -1.352 17741 4820 1 9 . 1 1 24 24 ILE H H 354 8.436 8.436 8.527 -0.091 17741 4821 1 9 . 1 1 25 25 ARG N N 355 121.401 121.401 120.982 0.419 17741 4822 1 9 . 1 1 25 25 ARG HA H 355 4.916 4.916 4.788 0.128 17741 4823 1 9 . 1 1 25 25 ARG C C 355 175.099 175.099 173.966 1.133 17741 4824 1 9 . 1 1 25 25 ARG CA C 355 54.461 54.461 55.134 -0.673 17741 4825 1 9 . 1 1 25 25 ARG CB C 355 33.662 33.662 33.545 0.117 17741 4826 1 9 . 1 1 25 25 ARG H H 355 8.668 8.668 9.076 -0.408 17741 4827 1 9 . 1 1 26 26 TRP N N 356 122.022 122.022 123.908 -1.886 17741 4828 1 9 . 1 1 26 26 TRP HA H 356 4.894 4.894 4.877 0.017 17741 4829 1 9 . 1 1 26 26 TRP C C 356 176.606 176.606 176.980 -0.374 17741 4830 1 9 . 1 1 26 26 TRP CA C 356 57.835 57.835 57.739 0.096 17741 4831 1 9 . 1 1 26 26 TRP CB C 356 30.564 30.564 29.456 1.108 17741 4832 1 9 . 1 1 26 26 TRP H H 356 9.149 9.149 8.969 0.180 17741 4833 1 9 . 1 1 27 27 GLU N N 357 125.415 125.415 124.709 0.706 17741 4834 1 9 . 1 1 27 27 GLU HA H 357 4.686 4.686 4.433 0.253 17741 4835 1 9 . 1 1 27 27 GLU C C 357 176.709 176.709 176.523 0.186 17741 4836 1 9 . 1 1 27 27 GLU CA C 357 56.939 56.939 58.033 -1.094 17741 4837 1 9 . 1 1 27 27 GLU CB C 357 31.545 31.545 30.749 0.796 17741 4838 1 9 . 1 1 27 27 GLU H H 357 9.524 9.524 8.810 0.714 17741 4839 1 9 . 1 1 28 28 ASP N N 358 116.214 116.214 120.887 -4.673 17741 4840 1 9 . 1 1 28 28 ASP HA H 358 4.759 4.759 4.911 -0.152 17741 4841 1 9 . 1 1 28 28 ASP C C 358 176.124 176.124 175.706 0.418 17741 4842 1 9 . 1 1 28 28 ASP CA C 358 53.481 53.481 53.528 -0.047 17741 4843 1 9 . 1 1 28 28 ASP CB C 358 41.921 41.921 42.080 -0.159 17741 4844 1 9 . 1 1 28 28 ASP H H 358 7.828 7.828 8.417 -0.589 17741 4845 1 9 . 1 1 29 29 LYS N N 359 127.750 127.750 125.943 1.807 17741 4846 1 9 . 1 1 29 29 LYS HA H 359 3.162 3.162 2.812 0.350 17741 4847 1 9 . 1 1 29 29 LYS C C 359 178.683 178.683 177.567 1.116 17741 4848 1 9 . 1 1 29 29 LYS CA C 359 60.173 60.173 59.167 1.006 17741 4849 1 9 . 1 1 29 29 LYS CB C 359 32.728 32.728 32.141 0.587 17741 4850 1 9 . 1 1 29 29 LYS H H 359 9.221 9.221 8.698 0.523 17741 4851 1 9 . 1 1 30 30 GLU N N 360 119.608 119.608 118.020 1.588 17741 4852 1 9 . 1 1 30 30 GLU HA H 360 3.923 3.923 3.957 -0.034 17741 4853 1 9 . 1 1 30 30 GLU C C 360 178.598 178.598 178.731 -0.133 17741 4854 1 9 . 1 1 30 30 GLU CA C 360 59.512 59.512 58.691 0.821 17741 4855 1 9 . 1 1 30 30 GLU CB C 360 29.188 29.188 29.533 -0.345 17741 4856 1 9 . 1 1 30 30 GLU H H 360 8.343 8.343 8.206 0.137 17741 4857 1 9 . 1 1 31 31 SER N N 361 113.313 113.313 113.048 0.265 17741 4858 1 9 . 1 1 31 31 SER HA H 361 4.485 4.485 4.364 0.121 17741 4859 1 9 . 1 1 31 31 SER C C 361 172.284 172.284 173.652 -1.368 17741 4860 1 9 . 1 1 31 31 SER CA C 361 58.745 58.745 59.538 -0.793 17741 4861 1 9 . 1 1 31 31 SER CB C 361 63.728 63.728 63.056 0.672 17741 4862 1 9 . 1 1 31 31 SER H H 361 7.466 7.466 8.707 -1.241 17741 4863 1 9 . 1 1 32 32 LYS N N 362 115.197 115.197 115.877 -0.680 17741 4864 1 9 . 1 1 32 32 LYS HA H 362 3.894 3.894 3.867 0.027 17741 4865 1 9 . 1 1 32 32 LYS C C 362 175.489 175.489 175.317 0.172 17741 4866 1 9 . 1 1 32 32 LYS CA C 362 57.641 57.641 57.241 0.400 17741 4867 1 9 . 1 1 32 32 LYS CB C 362 29.811 29.811 29.516 0.295 17741 4868 1 9 . 1 1 32 32 LYS H H 362 7.741 7.741 7.395 0.346 17741 4869 1 9 . 1 1 33 33 ILE N N 363 118.359 118.359 120.010 -1.651 17741 4870 1 9 . 1 1 33 33 ILE HA H 363 5.356 5.356 4.908 0.448 17741 4871 1 9 . 1 1 33 33 ILE C C 363 177.019 177.019 175.793 1.226 17741 4872 1 9 . 1 1 33 33 ILE CA C 363 60.455 60.455 61.292 -0.837 17741 4873 1 9 . 1 1 33 33 ILE CB C 363 40.081 40.081 39.416 0.665 17741 4874 1 9 . 1 1 33 33 ILE H H 363 8.268 8.268 8.511 -0.243 17741 4875 1 9 . 1 1 34 34 PHE N N 364 128.287 128.287 125.637 2.650 17741 4876 1 9 . 1 1 34 34 PHE HA H 364 5.576 5.576 5.705 -0.129 17741 4877 1 9 . 1 1 34 34 PHE C C 364 170.447 170.447 173.021 -2.574 17741 4878 1 9 . 1 1 34 34 PHE CA C 364 55.128 55.128 55.429 -0.301 17741 4879 1 9 . 1 1 34 34 PHE CB C 364 44.010 44.010 42.804 1.206 17741 4880 1 9 . 1 1 34 34 PHE H H 364 9.962 9.962 9.435 0.527 17741 4881 1 9 . 1 1 35 35 ARG N N 365 120.900 120.900 122.065 -1.165 17741 4882 1 9 . 1 1 35 35 ARG HA H 365 5.486 5.486 5.125 0.361 17741 4883 1 9 . 1 1 35 35 ARG C C 365 176.462 176.462 175.326 1.136 17741 4884 1 9 . 1 1 35 35 ARG CA C 365 53.609 53.609 53.849 -0.240 17741 4885 1 9 . 1 1 35 35 ARG CB C 365 36.518 36.518 33.174 3.344 17741 4886 1 9 . 1 1 35 35 ARG H H 365 9.427 9.427 9.290 0.137 17741 4887 1 9 . 1 1 36 36 ILE N N 366 125.534 125.534 127.463 -1.929 17741 4888 1 9 . 1 1 36 36 ILE HA H 366 4.209 4.209 4.302 -0.093 17741 4889 1 9 . 1 1 36 36 ILE C C 366 173.899 173.899 175.376 -1.477 17741 4890 1 9 . 1 1 36 36 ILE CA C 366 63.033 63.033 62.094 0.939 17741 4891 1 9 . 1 1 36 36 ILE CB C 366 37.889 37.889 37.752 0.137 17741 4892 1 9 . 1 1 36 36 ILE H H 366 8.643 8.643 9.059 -0.416 17741 4893 1 9 . 1 1 37 37 VAL N N 367 129.194 129.194 127.774 1.420 17741 4894 1 9 . 1 1 37 37 VAL HA H 367 3.679 3.679 3.943 -0.264 17741 4895 1 9 . 1 1 37 37 VAL C C 367 175.919 175.919 176.328 -0.409 17741 4896 1 9 . 1 1 37 37 VAL CA C 367 64.068 64.068 64.495 -0.427 17741 4897 1 9 . 1 1 37 37 VAL CB C 367 32.884 32.884 32.128 0.756 17741 4898 1 9 . 1 1 37 37 VAL H H 367 7.841 7.841 8.433 -0.592 17741 4899 1 9 . 1 1 38 38 ASP N N 368 114.969 114.969 117.709 -2.740 17741 4900 1 9 . 1 1 38 38 ASP HA H 368 5.222 5.222 5.072 0.150 17741 4901 1 9 . 1 1 38 38 ASP C C 368 173.227 173.227 174.559 -1.332 17741 4902 1 9 . 1 1 38 38 ASP CA C 368 50.238 50.238 51.279 -1.041 17741 4903 1 9 . 1 1 38 38 ASP CB C 368 42.181 42.181 43.001 -0.820 17741 4904 1 9 . 1 1 38 38 ASP H H 368 7.316 7.316 8.105 -0.789 17741 4905 1 9 . 1 1 39 39 PRO HA H 369 3.809 3.809 4.061 -0.252 17741 4906 1 9 . 1 1 39 39 PRO C C 369 177.958 177.958 178.401 -0.443 17741 4907 1 9 . 1 1 39 39 PRO CA C 369 65.612 65.612 64.984 0.628 17741 4908 1 9 . 1 1 39 39 PRO CB C 369 31.068 31.068 31.785 -0.717 17741 4909 1 9 . 1 1 40 40 ASN N N 370 115.480 115.480 117.546 -2.066 17741 4910 1 9 . 1 1 40 40 ASN HA H 370 4.604 4.604 4.501 0.103 17741 4911 1 9 . 1 1 40 40 ASN C C 370 178.566 178.566 177.778 0.788 17741 4912 1 9 . 1 1 40 40 ASN CA C 370 56.471 56.471 56.298 0.173 17741 4913 1 9 . 1 1 40 40 ASN CB C 370 38.068 38.068 38.210 -0.142 17741 4914 1 9 . 1 1 40 40 ASN H H 370 8.094 8.094 7.945 0.149 17741 4915 1 9 . 1 1 41 41 GLY N N 371 111.371 111.371 108.144 3.227 17741 4916 1 9 . 1 1 41 41 GLY C C 371 176.018 176.018 175.614 0.404 17741 4917 1 9 . 1 1 41 41 GLY CA C 371 47.862 47.862 46.286 1.576 17741 4918 1 9 . 1 1 41 41 GLY H H 371 8.632 8.632 9.298 -0.666 17741 4919 1 9 . 1 1 42 42 LEU N N 372 122.901 122.901 122.229 0.672 17741 4920 1 9 . 1 1 42 42 LEU HA H 372 4.035 4.035 4.217 -0.182 17741 4921 1 9 . 1 1 42 42 LEU C C 372 177.704 177.704 178.573 -0.869 17741 4922 1 9 . 1 1 42 42 LEU CA C 372 57.913 57.913 56.966 0.947 17741 4923 1 9 . 1 1 42 42 LEU CB C 372 42.136 42.136 41.307 0.829 17741 4924 1 9 . 1 1 42 42 LEU H H 372 8.876 8.876 7.828 1.048 17741 4925 1 9 . 1 1 43 43 ALA N N 373 120.103 120.103 121.541 -1.438 17741 4926 1 9 . 1 1 43 43 ALA HA H 373 4.462 4.462 4.217 0.245 17741 4927 1 9 . 1 1 43 43 ALA C C 373 179.091 179.091 179.092 -0.001 17741 4928 1 9 . 1 1 43 43 ALA CA C 373 55.441 55.441 55.325 0.116 17741 4929 1 9 . 1 1 43 43 ALA CB C 373 18.098 18.098 18.552 -0.454 17741 4930 1 9 . 1 1 43 43 ALA H H 373 8.062 8.062 8.519 -0.457 17741 4931 1 9 . 1 1 44 44 ARG N N 374 118.071 118.071 118.690 -0.619 17741 4932 1 9 . 1 1 44 44 ARG HA H 374 4.117 4.117 4.080 0.037 17741 4933 1 9 . 1 1 44 44 ARG C C 374 179.414 179.414 178.182 1.232 17741 4934 1 9 . 1 1 44 44 ARG CA C 374 59.297 59.297 59.047 0.251 17741 4935 1 9 . 1 1 44 44 ARG CB C 374 30.069 30.069 29.720 0.349 17741 4936 1 9 . 1 1 44 44 ARG H H 374 7.725 7.725 7.553 0.172 17741 4937 1 9 . 1 1 45 45 LEU N N 375 121.601 121.601 121.715 -0.114 17741 4938 1 9 . 1 1 45 45 LEU HA H 375 4.015 4.015 4.207 -0.192 17741 4939 1 9 . 1 1 45 45 LEU C C 375 180.087 180.087 178.966 1.121 17741 4940 1 9 . 1 1 45 45 LEU CA C 375 58.553 58.553 58.253 0.300 17741 4941 1 9 . 1 1 45 45 LEU CB C 375 41.495 41.495 41.344 0.151 17741 4942 1 9 . 1 1 45 45 LEU H H 375 7.877 7.877 7.512 0.365 17741 4943 1 9 . 1 1 46 46 TRP N N 376 121.543 121.543 121.001 0.542 17741 4944 1 9 . 1 1 46 46 TRP HA H 376 4.333 4.333 3.947 0.386 17741 4945 1 9 . 1 1 46 46 TRP C C 376 177.572 177.572 178.387 -0.815 17741 4946 1 9 . 1 1 46 46 TRP CA C 376 59.091 59.091 59.383 -0.292 17741 4947 1 9 . 1 1 46 46 TRP CB C 376 30.305 30.305 29.648 0.657 17741 4948 1 9 . 1 1 46 46 TRP H H 376 8.615 8.615 8.634 -0.019 17741 4949 1 9 . 1 1 47 47 GLY N N 377 105.532 105.532 105.818 -0.286 17741 4950 1 9 . 1 1 47 47 GLY C C 377 176.057 176.057 176.044 0.013 17741 4951 1 9 . 1 1 47 47 GLY CA C 377 48.035 48.035 46.840 1.194 17741 4952 1 9 . 1 1 47 47 GLY H H 377 8.877 8.877 8.823 0.054 17741 4953 1 9 . 1 1 48 48 ASN N N 378 119.996 119.996 120.121 -0.125 17741 4954 1 9 . 1 1 48 48 ASN HA H 378 4.403 4.403 4.441 -0.038 17741 4955 1 9 . 1 1 48 48 ASN C C 378 178.112 178.112 177.008 1.104 17741 4956 1 9 . 1 1 48 48 ASN CA C 378 56.229 56.229 56.376 -0.147 17741 4957 1 9 . 1 1 48 48 ASN CB C 378 38.272 38.272 38.600 -0.328 17741 4958 1 9 . 1 1 48 48 ASN H H 378 8.176 8.176 8.208 -0.032 17741 4959 1 9 . 1 1 49 49 HIS N N 379 121.459 121.459 119.440 2.019 17741 4960 1 9 . 1 1 49 49 HIS HA H 379 4.129 4.129 4.264 -0.135 17741 4961 1 9 . 1 1 49 49 HIS C C 379 175.858 175.858 176.236 -0.378 17741 4962 1 9 . 1 1 49 49 HIS CA C 379 59.234 59.234 59.025 0.209 17741 4963 1 9 . 1 1 49 49 HIS CB C 379 29.473 29.473 30.002 -0.529 17741 4964 1 9 . 1 1 49 49 HIS H H 379 8.138 8.138 8.167 -0.029 17741 4965 1 9 . 1 1 50 50 LYS N N 380 115.130 115.130 115.553 -0.423 17741 4966 1 9 . 1 1 50 50 LYS HA H 380 3.797 3.797 4.005 -0.208 17741 4967 1 9 . 1 1 50 50 LYS C C 380 175.468 175.468 175.746 -0.278 17741 4968 1 9 . 1 1 50 50 LYS CA C 380 54.085 54.085 56.057 -1.972 17741 4969 1 9 . 1 1 50 50 LYS CB C 380 30.887 30.887 32.604 -1.717 17741 4970 1 9 . 1 1 50 50 LYS H H 380 7.552 7.552 7.655 -0.103 17741 4971 1 9 . 1 1 51 51 ASN N N 381 116.632 116.632 116.494 0.138 17741 4972 1 9 . 1 1 51 51 ASN HA H 381 4.264 4.264 4.322 -0.058 17741 4973 1 9 . 1 1 51 51 ASN C C 381 174.332 174.332 173.958 0.374 17741 4974 1 9 . 1 1 51 51 ASN CA C 381 54.189 54.189 53.918 0.271 17741 4975 1 9 . 1 1 51 51 ASN CB C 381 37.343 37.343 37.241 0.102 17741 4976 1 9 . 1 1 51 51 ASN H H 381 7.715 7.715 7.720 -0.005 17741 4977 1 9 . 1 1 52 52 ARG N N 382 117.701 117.701 118.329 -0.628 17741 4978 1 9 . 1 1 52 52 ARG HA H 382 4.583 4.583 4.658 -0.075 17741 4979 1 9 . 1 1 52 52 ARG C C 382 176.172 176.172 176.216 -0.044 17741 4980 1 9 . 1 1 52 52 ARG CA C 382 54.167 54.167 53.909 0.258 17741 4981 1 9 . 1 1 52 52 ARG CB C 382 31.882 31.882 31.843 0.039 17741 4982 1 9 . 1 1 52 52 ARG H H 382 8.465 8.465 8.234 0.231 17741 4983 1 9 . 1 1 53 53 THR N N 383 114.338 114.338 117.958 -3.620 17741 4984 1 9 . 1 1 53 53 THR HA H 383 4.208 4.208 4.103 0.105 17741 4985 1 9 . 1 1 53 53 THR C C 383 174.496 174.496 175.514 -1.018 17741 4986 1 9 . 1 1 53 53 THR CA C 383 62.345 62.345 64.998 -2.653 17741 4987 1 9 . 1 1 53 53 THR CB C 383 69.699 69.699 68.941 0.758 17741 4988 1 9 . 1 1 53 53 THR H H 383 8.274 8.274 8.630 -0.356 17741 4989 1 9 . 1 1 54 54 ASN N N 384 119.031 119.031 121.164 -2.133 17741 4990 1 9 . 1 1 54 54 ASN HA H 384 4.607 4.607 4.812 -0.205 17741 4991 1 9 . 1 1 54 54 ASN C C 384 174.829 174.829 173.347 1.482 17741 4992 1 9 . 1 1 54 54 ASN CA C 384 53.155 53.155 52.768 0.387 17741 4993 1 9 . 1 1 54 54 ASN CB C 384 37.871 37.871 37.318 0.553 17741 4994 1 9 . 1 1 54 54 ASN H H 384 8.457 8.457 8.494 -0.037 17741 4995 1 9 . 1 1 55 55 MET N N 385 119.922 119.922 120.743 -0.821 17741 4996 1 9 . 1 1 55 55 MET HA H 385 4.558 4.558 4.758 -0.200 17741 4997 1 9 . 1 1 55 55 MET C C 385 174.921 174.921 174.487 0.434 17741 4998 1 9 . 1 1 55 55 MET CA C 385 55.271 55.271 54.047 1.224 17741 4999 1 9 . 1 1 55 55 MET CB C 385 30.991 30.991 34.270 -3.279 17741 5000 1 9 . 1 1 55 55 MET H H 385 8.073 8.073 7.474 0.599 17741 5001 1 9 . 1 1 56 56 THR N N 386 113.771 113.771 117.196 -3.425 17741 5002 1 9 . 1 1 56 56 THR HA H 386 4.693 4.693 4.649 0.044 17741 5003 1 9 . 1 1 56 56 THR C C 386 175.459 175.459 174.707 0.752 17741 5004 1 9 . 1 1 56 56 THR CA C 386 59.043 59.043 59.436 -0.393 17741 5005 1 9 . 1 1 56 56 THR CB C 386 72.393 72.393 71.986 0.407 17741 5006 1 9 . 1 1 56 56 THR H H 386 7.076 7.076 8.204 -1.128 17741 5007 1 9 . 1 1 57 57 TYR N N 387 123.521 123.521 122.066 1.455 17741 5008 1 9 . 1 1 57 57 TYR HA H 387 4.127 4.127 4.174 -0.047 17741 5009 1 9 . 1 1 57 57 TYR C C 387 177.432 177.432 177.307 0.125 17741 5010 1 9 . 1 1 57 57 TYR CA C 387 62.527 62.527 61.521 1.006 17741 5011 1 9 . 1 1 57 57 TYR CB C 387 37.289 37.289 38.763 -1.474 17741 5012 1 9 . 1 1 57 57 TYR H H 387 9.726 9.726 8.981 0.745 17741 5013 1 9 . 1 1 58 58 GLU N N 388 121.083 121.083 120.329 0.754 17741 5014 1 9 . 1 1 58 58 GLU HA H 388 3.825 3.825 3.914 -0.089 17741 5015 1 9 . 1 1 58 58 GLU C C 388 179.225 179.225 179.262 -0.037 17741 5016 1 9 . 1 1 58 58 GLU CA C 388 60.476 60.476 59.858 0.618 17741 5017 1 9 . 1 1 58 58 GLU CB C 388 29.087 29.087 29.248 -0.161 17741 5018 1 9 . 1 1 58 58 GLU H H 388 8.843 8.843 8.813 0.030 17741 5019 1 9 . 1 1 59 59 LYS N N 389 119.209 119.209 119.513 -0.304 17741 5020 1 9 . 1 1 59 59 LYS HA H 389 3.971 3.971 3.986 -0.015 17741 5021 1 9 . 1 1 59 59 LYS C C 389 179.944 179.944 178.825 1.119 17741 5022 1 9 . 1 1 59 59 LYS CA C 389 59.897 59.897 58.962 0.936 17741 5023 1 9 . 1 1 59 59 LYS CB C 389 33.359 33.359 32.151 1.208 17741 5024 1 9 . 1 1 59 59 LYS H H 389 7.605 7.605 7.553 0.052 17741 5025 1 9 . 1 1 60 60 MET N N 390 122.401 122.401 120.136 2.265 17741 5026 1 9 . 1 1 60 60 MET HA H 390 3.944 3.944 3.878 0.066 17741 5027 1 9 . 1 1 60 60 MET C C 390 177.716 177.716 176.966 0.750 17741 5028 1 9 . 1 1 60 60 MET CA C 390 59.547 59.547 59.125 0.422 17741 5029 1 9 . 1 1 60 60 MET CB C 390 33.315 33.315 32.328 0.987 17741 5030 1 9 . 1 1 60 60 MET H H 390 8.229 8.229 7.836 0.393 17741 5031 1 9 . 1 1 61 61 SER N N 391 114.652 114.652 114.303 0.349 17741 5032 1 9 . 1 1 61 61 SER HA H 391 3.771 3.771 3.869 -0.098 17741 5033 1 9 . 1 1 61 61 SER C C 391 176.449 176.449 176.370 0.079 17741 5034 1 9 . 1 1 61 61 SER CA C 391 61.554 61.554 60.878 0.676 17741 5035 1 9 . 1 1 61 61 SER CB C 391 62.278 62.278 62.013 0.265 17741 5036 1 9 . 1 1 61 61 SER H H 391 8.829 8.829 8.342 0.487 17741 5037 1 9 . 1 1 62 62 ARG N N 392 122.213 122.213 122.612 -0.399 17741 5038 1 9 . 1 1 62 62 ARG HA H 392 3.945 3.945 4.026 -0.081 17741 5039 1 9 . 1 1 62 62 ARG C C 392 178.600 178.600 177.941 0.659 17741 5040 1 9 . 1 1 62 62 ARG CA C 392 59.571 59.571 58.312 1.260 17741 5041 1 9 . 1 1 62 62 ARG CB C 392 29.914 29.914 28.999 0.915 17741 5042 1 9 . 1 1 62 62 ARG H H 392 7.413 7.413 7.655 -0.242 17741 5043 1 9 . 1 1 63 63 ALA N N 393 122.327 122.327 122.324 0.003 17741 5044 1 9 . 1 1 63 63 ALA HA H 393 4.157 4.157 3.822 0.335 17741 5045 1 9 . 1 1 63 63 ALA C C 393 180.147 180.147 178.935 1.212 17741 5046 1 9 . 1 1 63 63 ALA CA C 393 54.749 54.749 54.460 0.289 17741 5047 1 9 . 1 1 63 63 ALA CB C 393 18.529 18.529 18.144 0.385 17741 5048 1 9 . 1 1 63 63 ALA H H 393 7.256 7.256 7.299 -0.043 17741 5049 1 9 . 1 1 64 64 LEU N N 394 117.582 117.582 118.367 -0.785 17741 5050 1 9 . 1 1 64 64 LEU HA H 394 3.769 3.769 3.387 0.382 17741 5051 1 9 . 1 1 64 64 LEU C C 394 178.139 178.139 178.639 -0.500 17741 5052 1 9 . 1 1 64 64 LEU CA C 394 58.012 58.012 57.348 0.664 17741 5053 1 9 . 1 1 64 64 LEU CB C 394 41.396 41.396 41.062 0.334 17741 5054 1 9 . 1 1 64 64 LEU H H 394 7.768 7.768 7.949 -0.181 17741 5055 1 9 . 1 1 65 65 ARG N N 395 116.204 116.204 116.425 -0.221 17741 5056 1 9 . 1 1 65 65 ARG HA H 395 3.445 3.445 3.520 -0.075 17741 5057 1 9 . 1 1 65 65 ARG C C 395 179.423 179.423 179.277 0.146 17741 5058 1 9 . 1 1 65 65 ARG CA C 395 58.829 58.829 58.279 0.550 17741 5059 1 9 . 1 1 65 65 ARG CB C 395 29.776 29.776 29.114 0.662 17741 5060 1 9 . 1 1 65 65 ARG H H 395 7.595 7.595 7.925 -0.330 17741 5061 1 9 . 1 1 66 66 HIS N N 396 118.573 118.573 120.366 -1.793 17741 5062 1 9 . 1 1 66 66 HIS HA H 396 4.401 4.401 4.411 -0.010 17741 5063 1 9 . 1 1 66 66 HIS C C 396 177.218 177.218 177.408 -0.190 17741 5064 1 9 . 1 1 66 66 HIS CA C 396 58.821 58.821 59.199 -0.378 17741 5065 1 9 . 1 1 66 66 HIS CB C 396 29.753 29.753 29.610 0.143 17741 5066 1 9 . 1 1 66 66 HIS H H 396 7.362 7.362 7.165 0.197 17741 5067 1 9 . 1 1 67 67 TYR N N 397 115.773 115.773 119.264 -3.491 17741 5068 1 9 . 1 1 67 67 TYR HA H 397 4.259 4.259 4.095 0.164 17741 5069 1 9 . 1 1 67 67 TYR C C 397 178.802 178.802 178.232 0.570 17741 5070 1 9 . 1 1 67 67 TYR CA C 397 60.329 60.329 59.672 0.657 17741 5071 1 9 . 1 1 67 67 TYR CB C 397 37.379 37.379 36.758 0.621 17741 5072 1 9 . 1 1 67 67 TYR H H 397 7.568 7.568 7.900 -0.332 17741 5073 1 9 . 1 1 68 68 TYR N N 398 121.825 121.825 118.227 3.598 17741 5074 1 9 . 1 1 68 68 TYR HA H 398 5.413 5.413 4.641 0.772 17741 5075 1 9 . 1 1 68 68 TYR C C 398 181.169 181.169 178.744 2.425 17741 5076 1 9 . 1 1 68 68 TYR CA C 398 57.775 57.775 59.802 -2.027 17741 5077 1 9 . 1 1 68 68 TYR CB C 398 36.972 36.972 37.172 -0.200 17741 5078 1 9 . 1 1 68 68 TYR H H 398 8.116 8.116 7.469 0.647 17741 5079 1 9 . 1 1 69 69 LYS N N 399 120.934 120.934 118.039 2.895 17741 5080 1 9 . 1 1 69 69 LYS HA H 399 4.127 4.127 4.097 0.030 17741 5081 1 9 . 1 1 69 69 LYS C C 399 177.928 177.928 177.838 0.090 17741 5082 1 9 . 1 1 69 69 LYS CA C 399 58.912 58.912 59.076 -0.164 17741 5083 1 9 . 1 1 69 69 LYS CB C 399 32.188 32.188 32.033 0.155 17741 5084 1 9 . 1 1 69 69 LYS H H 399 7.771 7.771 8.259 -0.488 17741 5085 1 9 . 1 1 70 70 LEU N N 400 116.022 116.022 116.700 -0.678 17741 5086 1 9 . 1 1 70 70 LEU HA H 400 4.291 4.291 4.344 -0.053 17741 5087 1 9 . 1 1 70 70 LEU C C 400 175.827 175.827 176.622 -0.795 17741 5088 1 9 . 1 1 70 70 LEU CA C 400 54.675 54.675 54.269 0.406 17741 5089 1 9 . 1 1 70 70 LEU CB C 400 43.081 43.081 40.864 2.217 17741 5090 1 9 . 1 1 70 70 LEU H H 400 7.144 7.144 7.550 -0.406 17741 5091 1 9 . 1 1 71 71 ASN N N 401 115.201 115.201 114.756 0.445 17741 5092 1 9 . 1 1 71 71 ASN HA H 401 4.352 4.352 4.365 -0.013 17741 5093 1 9 . 1 1 71 71 ASN C C 401 173.517 173.517 174.855 -1.338 17741 5094 1 9 . 1 1 71 71 ASN CA C 401 54.602 54.602 54.739 -0.136 17741 5095 1 9 . 1 1 71 71 ASN CB C 401 37.381 37.381 37.186 0.195 17741 5096 1 9 . 1 1 71 71 ASN H H 401 8.047 8.047 7.883 0.164 17741 5097 1 9 . 1 1 72 72 ILE N N 402 113.907 113.907 115.516 -1.609 17741 5098 1 9 . 1 1 72 72 ILE HA H 402 4.059 4.059 4.016 0.043 17741 5099 1 9 . 1 1 72 72 ILE C C 402 176.279 176.279 175.565 0.714 17741 5100 1 9 . 1 1 72 72 ILE CA C 402 63.797 63.797 62.730 1.067 17741 5101 1 9 . 1 1 72 72 ILE CB C 402 40.395 40.395 39.809 0.586 17741 5102 1 9 . 1 1 72 72 ILE H H 402 7.986 7.986 8.344 -0.358 17741 5103 1 9 . 1 1 73 73 ILE N N 403 116.766 116.766 115.707 1.059 17741 5104 1 9 . 1 1 73 73 ILE HA H 403 5.042 5.042 4.692 0.350 17741 5105 1 9 . 1 1 73 73 ILE C C 403 173.945 173.945 174.178 -0.233 17741 5106 1 9 . 1 1 73 73 ILE CA C 403 59.247 59.247 59.342 -0.095 17741 5107 1 9 . 1 1 73 73 ILE CB C 403 43.414 43.414 42.277 1.137 17741 5108 1 9 . 1 1 73 73 ILE H H 403 7.042 7.042 7.281 -0.239 17741 5109 1 9 . 1 1 74 74 ARG N N 404 123.256 123.256 122.649 0.607 17741 5110 1 9 . 1 1 74 74 ARG HA H 404 4.751 4.751 4.617 0.134 17741 5111 1 9 . 1 1 74 74 ARG C C 404 174.757 174.757 174.106 0.651 17741 5112 1 9 . 1 1 74 74 ARG CA C 404 54.274 54.274 54.110 0.164 17741 5113 1 9 . 1 1 74 74 ARG CB C 404 34.492 34.492 34.203 0.289 17741 5114 1 9 . 1 1 74 74 ARG H H 404 8.931 8.931 9.065 -0.134 17741 5115 1 9 . 1 1 75 75 LYS N N 405 125.627 125.627 121.356 4.271 17741 5116 1 9 . 1 1 75 75 LYS HA H 405 4.076 4.076 4.297 -0.221 17741 5117 1 9 . 1 1 75 75 LYS C C 405 176.481 176.481 175.800 0.681 17741 5118 1 9 . 1 1 75 75 LYS CA C 405 56.446 56.446 53.923 2.522 17741 5119 1 9 . 1 1 75 75 LYS CB C 405 32.758 32.758 33.703 -0.945 17741 5120 1 9 . 1 1 75 75 LYS H H 405 8.294 8.294 8.099 0.195 17741 5121 1 9 . 1 1 76 76 GLU N N 406 128.187 128.187 125.164 3.023 17741 5122 1 9 . 1 1 76 76 GLU HA H 406 4.447 4.447 4.499 -0.052 17741 5123 1 9 . 1 1 76 76 GLU C C 406 174.401 174.401 174.783 -0.382 17741 5124 1 9 . 1 1 76 76 GLU CA C 406 53.751 53.751 53.571 0.180 17741 5125 1 9 . 1 1 76 76 GLU CB C 406 29.951 29.951 28.899 1.052 17741 5126 1 9 . 1 1 76 76 GLU H H 406 8.016 8.016 7.817 0.199 17741 5127 1 9 . 1 1 77 77 PRO HA H 407 4.288 4.288 4.331 -0.043 17741 5128 1 9 . 1 1 77 77 PRO C C 407 177.654 177.654 177.588 0.066 17741 5129 1 9 . 1 1 77 77 PRO CA C 407 63.433 63.433 63.257 0.176 17741 5130 1 9 . 1 1 77 77 PRO CB C 407 32.152 32.152 31.698 0.454 17741 5131 1 9 . 1 1 78 78 GLY N N 408 109.679 109.679 114.640 -4.961 17741 5132 1 9 . 1 1 78 78 GLY C C 408 173.976 173.976 173.957 0.019 17741 5133 1 9 . 1 1 78 78 GLY CA C 408 45.539 45.539 45.089 0.450 17741 5134 1 9 . 1 1 78 78 GLY H H 408 8.514 8.514 8.622 -0.108 17741 5135 1 9 . 1 1 79 79 GLN N N 409 116.897 116.897 120.370 -3.473 17741 5136 1 9 . 1 1 79 79 GLN HA H 409 4.489 4.489 4.221 0.268 17741 5137 1 9 . 1 1 79 79 GLN C C 409 175.371 175.371 175.676 -0.305 17741 5138 1 9 . 1 1 79 79 GLN CA C 409 54.472 54.472 56.110 -1.638 17741 5139 1 9 . 1 1 79 79 GLN CB C 409 31.301 31.301 29.456 1.845 17741 5140 1 9 . 1 1 79 79 GLN H H 409 7.572 7.572 7.520 0.052 17741 5141 1 9 . 1 1 80 80 ARG N N 410 120.458 120.458 120.689 -0.231 17741 5142 1 9 . 1 1 80 80 ARG HA H 410 4.275 4.275 4.233 0.042 17741 5143 1 9 . 1 1 80 80 ARG C C 410 176.227 176.227 176.917 -0.690 17741 5144 1 9 . 1 1 80 80 ARG CA C 410 56.891 56.891 57.665 -0.774 17741 5145 1 9 . 1 1 80 80 ARG CB C 410 31.475 31.475 30.782 0.693 17741 5146 1 9 . 1 1 80 80 ARG H H 410 8.254 8.254 8.499 -0.245 17741 5147 1 9 . 1 1 81 81 LEU N N 411 119.424 119.424 120.040 -0.616 17741 5148 1 9 . 1 1 81 81 LEU HA H 411 4.048 4.048 4.535 -0.487 17741 5149 1 9 . 1 1 81 81 LEU C C 411 173.277 173.277 174.947 -1.670 17741 5150 1 9 . 1 1 81 81 LEU CA C 411 55.111 55.111 53.708 1.403 17741 5151 1 9 . 1 1 81 81 LEU CB C 411 40.298 40.298 42.578 -2.280 17741 5152 1 9 . 1 1 81 81 LEU H H 411 8.467 8.467 7.667 0.800 17741 5153 1 9 . 1 1 82 82 LEU N N 412 119.126 119.126 121.558 -2.432 17741 5154 1 9 . 1 1 82 82 LEU HA H 412 5.036 5.036 4.829 0.207 17741 5155 1 9 . 1 1 82 82 LEU C C 412 175.323 175.323 174.481 0.842 17741 5156 1 9 . 1 1 82 82 LEU CA C 412 53.175 53.175 53.406 -0.231 17741 5157 1 9 . 1 1 82 82 LEU CB C 412 45.482 45.482 43.490 1.992 17741 5158 1 9 . 1 1 82 82 LEU H H 412 6.769 6.769 7.130 -0.361 17741 5159 1 9 . 1 1 83 83 PHE N N 413 122.107 122.107 123.853 -1.746 17741 5160 1 9 . 1 1 83 83 PHE HA H 413 4.848 4.848 4.973 -0.125 17741 5161 1 9 . 1 1 83 83 PHE C C 413 172.764 172.764 173.783 -1.019 17741 5162 1 9 . 1 1 83 83 PHE CA C 413 55.848 55.848 56.052 -0.204 17741 5163 1 9 . 1 1 83 83 PHE CB C 413 44.675 44.675 42.682 1.993 17741 5164 1 9 . 1 1 83 83 PHE H H 413 8.648 8.648 8.865 -0.217 17741 5165 1 9 . 1 1 84 84 ARG N N 414 119.466 119.466 122.681 -3.215 17741 5166 1 9 . 1 1 84 84 ARG HA H 414 5.578 5.578 5.298 0.280 17741 5167 1 9 . 1 1 84 84 ARG C C 414 177.476 177.476 175.379 2.097 17741 5168 1 9 . 1 1 84 84 ARG CA C 414 54.198 54.198 54.123 0.075 17741 5169 1 9 . 1 1 84 84 ARG CB C 414 36.128 36.128 33.500 2.628 17741 5170 1 9 . 1 1 84 84 ARG H H 414 9.117 9.117 8.376 0.741 17741 5171 1 9 . 1 1 85 85 PHE N N 415 124.357 124.357 127.173 -2.816 17741 5172 1 9 . 1 1 85 85 PHE HA H 415 5.037 5.037 4.729 0.308 17741 5173 1 9 . 1 1 85 85 PHE C C 415 176.084 176.084 176.089 -0.005 17741 5174 1 9 . 1 1 85 85 PHE CA C 415 59.719 59.719 60.469 -0.750 17741 5175 1 9 . 1 1 85 85 PHE CB C 415 40.812 40.812 38.993 1.819 17741 5176 1 9 . 1 1 85 85 PHE H H 415 8.984 8.984 9.389 -0.405 17741 5177 1 9 . 1 1 86 86 MET N N 416 121.301 121.301 123.723 -2.422 17741 5178 1 9 . 1 1 86 86 MET HA H 416 4.670 4.670 4.184 0.486 17741 5179 1 9 . 1 1 86 86 MET C C 416 176.543 176.543 176.799 -0.256 17741 5180 1 9 . 1 1 86 86 MET CA C 416 54.863 54.863 58.346 -3.483 17741 5181 1 9 . 1 1 86 86 MET CB C 416 31.711 31.711 32.821 -1.109 17741 5182 1 9 . 1 1 86 86 MET H H 416 8.671 8.671 8.411 0.260 17741 5183 1 9 . 1 1 87 87 LYS N N 417 117.759 117.759 115.657 2.102 17741 5184 1 9 . 1 1 87 87 LYS HA H 417 4.856 4.856 4.572 0.284 17741 5185 1 9 . 1 1 87 87 LYS C C 417 175.445 175.445 175.032 0.413 17741 5186 1 9 . 1 1 87 87 LYS CA C 417 54.550 54.550 55.050 -0.500 17741 5187 1 9 . 1 1 87 87 LYS CB C 417 37.828 37.828 35.519 2.309 17741 5188 1 9 . 1 1 87 87 LYS H H 417 7.656 7.656 7.685 -0.029 17741 5189 1 9 . 1 1 88 88 THR N N 418 112.506 112.506 111.254 1.252 17741 5190 1 9 . 1 1 88 88 THR HA H 418 4.372 4.372 4.877 -0.505 17741 5191 1 9 . 1 1 88 88 THR C C 418 173.594 173.594 173.520 0.074 17741 5192 1 9 . 1 1 88 88 THR CA C 418 59.640 59.640 58.977 0.663 17741 5193 1 9 . 1 1 88 88 THR CB C 418 68.065 68.065 68.936 -0.871 17741 5194 1 9 . 1 1 88 88 THR H H 418 8.685 8.685 8.127 0.558 17741 5195 1 9 . 1 1 89 89 PRO HA H 419 3.748 3.748 3.927 -0.179 17741 5196 1 9 . 1 1 89 89 PRO C C 419 177.219 177.219 178.449 -1.230 17741 5197 1 9 . 1 1 89 89 PRO CA C 419 65.592 65.592 66.335 -0.743 17741 5198 1 9 . 1 1 89 89 PRO CB C 419 31.739 31.739 31.753 -0.014 17741 5199 1 9 . 1 1 90 90 ASP N N 420 114.631 114.631 116.267 -1.636 17741 5200 1 9 . 1 1 90 90 ASP HA H 420 4.265 4.265 4.437 -0.172 17741 5201 1 9 . 1 1 90 90 ASP C C 420 177.962 177.962 177.958 0.004 17741 5202 1 9 . 1 1 90 90 ASP CA C 420 56.371 56.371 56.938 -0.567 17741 5203 1 9 . 1 1 90 90 ASP CB C 420 40.662 40.662 40.707 -0.045 17741 5204 1 9 . 1 1 90 90 ASP H H 420 7.962 7.962 8.664 -0.702 17741 5205 1 9 . 1 1 91 91 GLU N N 421 119.501 119.501 118.984 0.517 17741 5206 1 9 . 1 1 91 91 GLU HA H 421 4.043 4.043 4.141 -0.098 17741 5207 1 9 . 1 1 91 91 GLU C C 421 178.599 178.599 179.341 -0.742 17741 5208 1 9 . 1 1 91 91 GLU CA C 421 58.113 58.113 58.596 -0.483 17741 5209 1 9 . 1 1 91 91 GLU CB C 421 30.721 30.721 30.232 0.489 17741 5210 1 9 . 1 1 91 91 GLU H H 421 7.661 7.661 7.813 -0.152 17741 5211 1 9 . 1 1 92 92 ILE N N 422 120.594 120.594 121.409 -0.815 17741 5212 1 9 . 1 1 92 92 ILE HA H 422 3.641 3.641 3.622 0.019 17741 5213 1 9 . 1 1 92 92 ILE C C 422 177.752 177.752 177.488 0.264 17741 5214 1 9 . 1 1 92 92 ILE CA C 422 62.931 62.931 65.334 -2.403 17741 5215 1 9 . 1 1 92 92 ILE CB C 422 38.185 38.185 37.913 0.272 17741 5216 1 9 . 1 1 92 92 ILE H H 422 7.861 7.861 8.255 -0.394 17741 5217 1 9 . 1 1 93 93 MET N N 423 119.187 119.187 114.269 4.918 17741 5218 1 9 . 1 1 93 93 MET HA H 423 4.391 4.391 4.471 -0.080 17741 5219 1 9 . 1 1 93 93 MET C C 423 176.982 176.982 176.481 0.501 17741 5220 1 9 . 1 1 93 93 MET CA C 423 56.491 56.491 56.883 -0.392 17741 5221 1 9 . 1 1 93 93 MET CB C 423 32.584 32.584 32.350 0.234 17741 5222 1 9 . 1 1 93 93 MET H H 423 8.158 8.158 8.296 -0.138 17741 5223 1 9 . 1 1 94 94 SER N N 424 114.933 114.933 114.629 0.304 17741 5224 1 9 . 1 1 94 94 SER HA H 424 4.394 4.394 4.521 -0.127 17741 5225 1 9 . 1 1 94 94 SER C C 424 175.238 175.238 175.240 -0.002 17741 5226 1 9 . 1 1 94 94 SER CA C 424 59.423 59.423 58.435 0.988 17741 5227 1 9 . 1 1 94 94 SER CB C 424 63.695 63.695 63.385 0.310 17741 5228 1 9 . 1 1 94 94 SER H H 424 7.854 7.854 7.654 0.200 17741 5229 1 9 . 1 1 95 95 GLY N N 425 110.045 110.045 109.444 0.601 17741 5230 1 9 . 1 1 95 95 GLY C C 425 174.194 174.194 175.652 -1.458 17741 5231 1 9 . 1 1 95 95 GLY CA C 425 45.432 45.432 45.291 0.141 17741 5232 1 9 . 1 1 95 95 GLY H H 425 8.061 8.061 7.516 0.545 17741 5233 1 9 . 1 1 96 96 ARG N N 426 119.987 119.987 121.832 -1.845 17741 5234 1 9 . 1 1 96 96 ARG HA H 426 4.475 4.475 4.144 0.331 17741 5235 1 9 . 1 1 96 96 ARG C C 426 177.308 177.308 177.482 -0.174 17741 5236 1 9 . 1 1 96 96 ARG CA C 426 56.195 56.195 58.254 -2.059 17741 5237 1 9 . 1 1 96 96 ARG CB C 426 30.354 30.354 30.337 0.017 17741 5238 1 9 . 1 1 96 96 ARG H H 426 8.092 8.092 7.998 0.094 17741 5239 1 9 . 1 1 97 97 THR N N 427 114.398 114.398 112.168 2.230 17741 5240 1 9 . 1 1 97 97 THR HA H 427 4.298 4.298 4.659 -0.361 17741 5241 1 9 . 1 1 97 97 THR C C 427 174.913 174.913 174.435 0.478 17741 5242 1 9 . 1 1 97 97 THR CA C 427 62.673 62.673 60.377 2.296 17741 5243 1 9 . 1 1 97 97 THR CB C 427 69.473 69.473 69.138 0.335 17741 5244 1 9 . 1 1 97 97 THR H H 427 8.319 8.319 7.858 0.461 17741 5245 1 9 . 1 1 98 98 ASP N N 428 121.983 121.983 122.359 -0.376 17741 5246 1 9 . 1 1 98 98 ASP HA H 428 4.508 4.508 4.757 -0.249 17741 5247 1 9 . 1 1 98 98 ASP C C 428 176.956 176.956 177.481 -0.525 17741 5248 1 9 . 1 1 98 98 ASP CA C 428 55.433 55.433 57.268 -1.835 17741 5249 1 9 . 1 1 98 98 ASP CB C 428 40.746 40.746 41.283 -0.538 17741 5250 1 9 . 1 1 98 98 ASP H H 428 8.488 8.488 7.690 0.798 17741 5251 1 9 . 1 1 99 99 ARG N N 429 119.821 119.821 117.370 2.451 17741 5252 1 9 . 1 1 99 99 ARG HA H 429 4.277 4.277 4.361 -0.084 17741 5253 1 9 . 1 1 99 99 ARG C C 429 177.078 177.078 178.837 -1.759 17741 5254 1 9 . 1 1 99 99 ARG CA C 429 56.984 56.984 58.218 -1.234 17741 5255 1 9 . 1 1 99 99 ARG CB C 429 30.224 30.224 30.317 -0.093 17741 5256 1 9 . 1 1 99 99 ARG H H 429 8.088 8.088 8.439 -0.351 17741 5257 1 9 . 1 1 100 100 LEU N N 430 120.887 120.887 121.588 -0.701 17741 5258 1 9 . 1 1 100 100 LEU HA H 430 4.176 4.176 4.230 -0.054 17741 5259 1 9 . 1 1 100 100 LEU C C 430 177.732 177.732 178.358 -0.626 17741 5260 1 9 . 1 1 100 100 LEU CA C 430 56.324 56.324 57.921 -1.597 17741 5261 1 9 . 1 1 100 100 LEU CB C 430 42.262 42.262 42.003 0.259 17741 5262 1 9 . 1 1 100 100 LEU H H 430 7.945 7.945 8.006 -0.061 17741 5263 1 9 . 1 1 101 101 GLU N N 431 119.799 119.799 115.576 4.223 17741 5264 1 9 . 1 1 101 101 GLU HA H 431 4.082 4.082 3.966 0.116 17741 5265 1 9 . 1 1 101 101 GLU C C 431 177.281 177.281 176.970 0.311 17741 5266 1 9 . 1 1 101 101 GLU CA C 431 58.011 58.011 58.850 -0.839 17741 5267 1 9 . 1 1 101 101 GLU CB C 431 30.191 30.191 29.193 0.998 17741 5268 1 9 . 1 1 101 101 GLU H H 431 8.268 8.268 7.892 0.376 17741 5269 1 9 . 1 1 102 102 HIS N N 432 118.048 118.048 115.381 2.667 17741 5270 1 9 . 1 1 102 102 HIS HA H 432 4.584 4.584 4.573 0.011 17741 5271 1 9 . 1 1 102 102 HIS C C 432 175.678 175.678 178.111 -2.433 17741 5272 1 9 . 1 1 102 102 HIS CA C 432 56.571 56.571 58.646 -2.075 17741 5273 1 9 . 1 1 102 102 HIS CB C 432 29.352 29.352 30.951 -1.599 17741 5274 1 9 . 1 1 102 102 HIS H H 432 8.166 8.166 7.776 0.390 17741 5275 1 9 . 1 1 103 103 LEU N N 433 122.228 122.228 120.203 2.025 17741 5276 1 9 . 1 1 103 103 LEU HA H 433 4.176 4.176 4.296 -0.120 17741 5277 1 9 . 1 1 103 103 LEU C C 433 177.904 177.904 178.808 -0.904 17741 5278 1 9 . 1 1 103 103 LEU CA C 433 56.237 56.237 57.799 -1.562 17741 5279 1 9 . 1 1 103 103 LEU CB C 433 42.305 42.305 41.548 0.757 17741 5280 1 9 . 1 1 103 103 LEU H H 433 8.072 8.072 7.695 0.377 17741 5281 1 9 . 1 1 104 104 GLU N N 434 119.413 119.413 118.822 0.591 17741 5282 1 9 . 1 1 104 104 GLU HA H 434 4.309 4.309 4.215 0.094 17741 5283 1 9 . 1 1 104 104 GLU C C 434 176.560 176.560 178.470 -1.910 17741 5284 1 9 . 1 1 104 104 GLU CA C 434 57.098 57.098 58.238 -1.140 17741 5285 1 9 . 1 1 104 104 GLU CB C 434 30.301 30.301 28.795 1.506 17741 5286 1 9 . 1 1 104 104 GLU H H 434 8.331 8.331 8.542 -0.211 17741 5287 1 9 . 1 1 105 105 SER N N 435 115.859 115.859 114.774 1.085 17741 5288 1 9 . 1 1 105 105 SER HA H 435 4.443 4.443 4.152 0.291 17741 5289 1 9 . 1 1 105 105 SER C C 435 173.630 173.630 174.257 -0.627 17741 5290 1 9 . 1 1 105 105 SER CA C 435 58.591 58.591 59.346 -0.755 17741 5291 1 9 . 1 1 105 105 SER CB C 435 64.066 64.066 62.957 1.109 17741 5292 1 9 . 1 1 105 105 SER H H 435 7.976 7.976 7.591 0.385 17741 5293 1 10 . 1 1 5 5 ARG N N 335 123.531 123.531 124.931 -1.400 17741 5294 1 10 . 1 1 5 5 ARG HA H 335 4.411 4.411 4.360 0.051 17741 5295 1 10 . 1 1 5 5 ARG C C 335 176.473 176.473 175.762 0.711 17741 5296 1 10 . 1 1 5 5 ARG CA C 335 56.571 56.571 55.576 0.995 17741 5297 1 10 . 1 1 5 5 ARG CB C 335 31.352 31.352 30.790 0.562 17741 5298 1 10 . 1 1 5 5 ARG H H 335 9.347 9.347 8.730 0.617 17741 5299 1 10 . 1 1 6 6 LEU N N 336 121.545 121.545 121.628 -0.083 17741 5300 1 10 . 1 1 6 6 LEU HA H 336 4.293 4.293 4.358 -0.065 17741 5301 1 10 . 1 1 6 6 LEU C C 336 178.837 178.837 177.910 0.927 17741 5302 1 10 . 1 1 6 6 LEU CA C 336 54.652 54.652 54.485 0.167 17741 5303 1 10 . 1 1 6 6 LEU CB C 336 43.365 43.365 42.094 1.271 17741 5304 1 10 . 1 1 6 6 LEU H H 336 8.556 8.556 8.194 0.362 17741 5305 1 10 . 1 1 7 7 LEU HA H 337 3.441 3.441 2.486 0.955 17741 5306 1 10 . 1 1 7 7 LEU C C 337 177.908 177.908 178.098 -0.190 17741 5307 1 10 . 1 1 7 7 LEU CA C 337 58.771 58.771 58.609 0.162 17741 5308 1 10 . 1 1 7 7 LEU CB C 337 40.192 40.192 41.691 -1.499 17741 5309 1 10 . 1 1 8 8 TRP N N 338 114.624 114.624 115.856 -1.232 17741 5310 1 10 . 1 1 8 8 TRP HA H 338 3.785 3.785 4.275 -0.490 17741 5311 1 10 . 1 1 8 8 TRP C C 338 175.318 175.318 177.737 -2.419 17741 5312 1 10 . 1 1 8 8 TRP CA C 338 59.891 59.891 59.633 0.258 17741 5313 1 10 . 1 1 8 8 TRP CB C 338 28.359 28.359 28.207 0.152 17741 5314 1 10 . 1 1 8 8 TRP H H 338 7.515 7.515 7.233 0.282 17741 5315 1 10 . 1 1 9 9 ASP HA H 339 3.813 3.813 4.110 -0.297 17741 5316 1 10 . 1 1 9 9 ASP C C 339 177.355 177.355 177.723 -0.368 17741 5317 1 10 . 1 1 9 9 ASP CA C 339 56.291 56.291 57.159 -0.868 17741 5318 1 10 . 1 1 9 9 ASP CB C 339 41.591 41.591 40.269 1.322 17741 5319 1 10 . 1 1 10 10 TYR N N 340 120.906 120.906 120.489 0.417 17741 5320 1 10 . 1 1 10 10 TYR HA H 340 3.897 3.897 4.048 -0.151 17741 5321 1 10 . 1 1 10 10 TYR C C 340 177.011 177.011 177.563 -0.552 17741 5322 1 10 . 1 1 10 10 TYR CA C 340 61.913 61.913 60.946 0.967 17741 5323 1 10 . 1 1 10 10 TYR CB C 340 39.482 39.482 38.498 0.983 17741 5324 1 10 . 1 1 10 10 TYR H H 340 8.005 8.005 8.130 -0.125 17741 5325 1 10 . 1 1 11 11 VAL N N 341 115.016 115.016 118.364 -3.348 17741 5326 1 10 . 1 1 11 11 VAL HA H 341 2.992 2.992 3.245 -0.253 17741 5327 1 10 . 1 1 11 11 VAL C C 341 176.751 176.751 177.117 -0.366 17741 5328 1 10 . 1 1 11 11 VAL CA C 341 66.910 66.910 65.826 1.084 17741 5329 1 10 . 1 1 11 11 VAL CB C 341 30.968 30.968 30.175 0.793 17741 5330 1 10 . 1 1 11 11 VAL H H 341 8.287 8.287 7.680 0.607 17741 5331 1 10 . 1 1 12 12 TYR N N 342 119.030 119.030 119.484 -0.454 17741 5332 1 10 . 1 1 12 12 TYR HA H 342 3.641 3.641 3.921 -0.280 17741 5333 1 10 . 1 1 12 12 TYR C C 342 178.659 178.659 177.691 0.968 17741 5334 1 10 . 1 1 12 12 TYR CA C 342 63.010 63.010 63.086 -0.076 17741 5335 1 10 . 1 1 12 12 TYR CB C 342 38.212 38.212 37.498 0.714 17741 5336 1 10 . 1 1 12 12 TYR H H 342 7.673 7.673 7.761 -0.088 17741 5337 1 10 . 1 1 13 13 GLN N N 343 119.113 119.113 118.622 0.491 17741 5338 1 10 . 1 1 13 13 GLN HA H 343 3.828 3.828 4.106 -0.278 17741 5339 1 10 . 1 1 13 13 GLN C C 343 179.955 179.955 177.318 2.637 17741 5340 1 10 . 1 1 13 13 GLN CA C 343 58.871 58.871 58.198 0.673 17741 5341 1 10 . 1 1 13 13 GLN CB C 343 27.514 27.514 27.856 -0.342 17741 5342 1 10 . 1 1 13 13 GLN H H 343 8.161 8.161 7.572 0.589 17741 5343 1 10 . 1 1 14 14 LEU N N 344 121.401 121.401 118.400 3.001 17741 5344 1 10 . 1 1 14 14 LEU HA H 344 3.611 3.611 4.127 -0.516 17741 5345 1 10 . 1 1 14 14 LEU C C 344 179.789 179.789 179.229 0.560 17741 5346 1 10 . 1 1 14 14 LEU CA C 344 58.043 58.043 56.493 1.550 17741 5347 1 10 . 1 1 14 14 LEU CB C 344 41.598 41.598 41.548 0.050 17741 5348 1 10 . 1 1 14 14 LEU H H 344 7.825 7.825 7.397 0.428 17741 5349 1 10 . 1 1 15 15 LEU N N 345 116.853 116.853 120.278 -3.425 17741 5350 1 10 . 1 1 15 15 LEU HA H 345 3.504 3.504 3.761 -0.257 17741 5351 1 10 . 1 1 15 15 LEU C C 345 178.149 178.149 178.345 -0.196 17741 5352 1 10 . 1 1 15 15 LEU CA C 345 56.473 56.473 56.828 -0.355 17741 5353 1 10 . 1 1 15 15 LEU CB C 345 41.322 41.322 40.681 0.641 17741 5354 1 10 . 1 1 15 15 LEU H H 345 7.503 7.503 8.240 -0.737 17741 5355 1 10 . 1 1 16 16 SER N N 346 112.491 112.491 111.278 1.213 17741 5356 1 10 . 1 1 16 16 SER HA H 346 4.522 4.522 4.701 -0.179 17741 5357 1 10 . 1 1 16 16 SER C C 346 172.441 172.441 173.547 -1.106 17741 5358 1 10 . 1 1 16 16 SER CA C 346 58.859 58.859 58.632 0.227 17741 5359 1 10 . 1 1 16 16 SER CB C 346 63.987 63.987 63.350 0.637 17741 5360 1 10 . 1 1 16 16 SER H H 346 7.277 7.277 7.726 -0.449 17741 5361 1 10 . 1 1 17 17 ASP N N 347 122.161 122.161 120.911 1.250 17741 5362 1 10 . 1 1 17 17 ASP HA H 347 4.966 4.966 4.874 0.092 17741 5363 1 10 . 1 1 17 17 ASP C C 347 175.692 175.692 176.480 -0.788 17741 5364 1 10 . 1 1 17 17 ASP CA C 347 52.805 52.805 53.240 -0.435 17741 5365 1 10 . 1 1 17 17 ASP CB C 347 43.392 43.392 43.427 -0.035 17741 5366 1 10 . 1 1 17 17 ASP H H 347 7.345 7.345 7.341 0.004 17741 5367 1 10 . 1 1 18 18 SER N N 348 120.164 120.164 122.091 -1.927 17741 5368 1 10 . 1 1 18 18 SER HA H 348 4.356 4.356 4.361 -0.005 17741 5369 1 10 . 1 1 18 18 SER C C 348 176.200 176.200 176.370 -0.170 17741 5370 1 10 . 1 1 18 18 SER CA C 348 61.207 61.207 60.660 0.548 17741 5371 1 10 . 1 1 18 18 SER CB C 348 63.226 63.226 63.373 -0.147 17741 5372 1 10 . 1 1 18 18 SER H H 348 8.686 8.686 8.896 -0.210 17741 5373 1 10 . 1 1 19 19 ARG N N 349 122.701 122.701 121.369 1.332 17741 5374 1 10 . 1 1 19 19 ARG HA H 349 4.105 4.105 3.945 0.160 17741 5375 1 10 . 1 1 19 19 ARG C C 349 178.120 178.120 176.455 1.665 17741 5376 1 10 . 1 1 19 19 ARG CA C 349 58.604 58.604 58.181 0.423 17741 5377 1 10 . 1 1 19 19 ARG CB C 349 29.854 29.854 29.527 0.327 17741 5378 1 10 . 1 1 19 19 ARG H H 349 8.597 8.597 8.095 0.502 17741 5379 1 10 . 1 1 20 20 TYR N N 350 116.257 116.257 116.184 0.073 17741 5380 1 10 . 1 1 20 20 TYR HA H 350 4.884 4.884 4.684 0.200 17741 5381 1 10 . 1 1 20 20 TYR C C 350 176.977 176.977 175.319 1.658 17741 5382 1 10 . 1 1 20 20 TYR CA C 350 58.758 58.758 56.690 2.068 17741 5383 1 10 . 1 1 20 20 TYR CB C 350 37.602 37.602 38.133 -0.530 17741 5384 1 10 . 1 1 20 20 TYR H H 350 8.285 8.285 7.544 0.741 17741 5385 1 10 . 1 1 21 21 GLU N N 351 120.807 120.807 121.100 -0.293 17741 5386 1 10 . 1 1 21 21 GLU HA H 351 4.454 4.454 4.338 0.116 17741 5387 1 10 . 1 1 21 21 GLU C C 351 176.277 176.277 177.622 -1.345 17741 5388 1 10 . 1 1 21 21 GLU CA C 351 59.135 59.135 58.512 0.623 17741 5389 1 10 . 1 1 21 21 GLU CB C 351 29.674 29.674 28.935 0.739 17741 5390 1 10 . 1 1 21 21 GLU H H 351 7.527 7.527 7.629 -0.102 17741 5391 1 10 . 1 1 22 22 ASN N N 352 114.501 114.501 116.319 -1.818 17741 5392 1 10 . 1 1 22 22 ASN HA H 352 4.471 4.471 4.503 -0.032 17741 5393 1 10 . 1 1 22 22 ASN C C 352 174.426 174.426 175.948 -1.522 17741 5394 1 10 . 1 1 22 22 ASN CA C 352 54.002 54.002 54.994 -0.992 17741 5395 1 10 . 1 1 22 22 ASN CB C 352 36.943 36.943 38.464 -1.521 17741 5396 1 10 . 1 1 22 22 ASN H H 352 8.647 8.647 8.067 0.580 17741 5397 1 10 . 1 1 23 23 PHE N N 353 115.528 115.528 115.674 -0.146 17741 5398 1 10 . 1 1 23 23 PHE HA H 353 4.751 4.751 4.740 0.011 17741 5399 1 10 . 1 1 23 23 PHE C C 353 176.374 176.374 175.750 0.624 17741 5400 1 10 . 1 1 23 23 PHE CA C 353 59.617 59.617 58.203 1.413 17741 5401 1 10 . 1 1 23 23 PHE CB C 353 41.431 41.431 40.947 0.485 17741 5402 1 10 . 1 1 23 23 PHE H H 353 8.578 8.578 7.692 0.886 17741 5403 1 10 . 1 1 24 24 ILE N N 354 120.520 120.520 118.266 2.254 17741 5404 1 10 . 1 1 24 24 ILE HA H 354 5.063 5.063 4.969 0.094 17741 5405 1 10 . 1 1 24 24 ILE C C 354 170.331 170.331 172.934 -2.603 17741 5406 1 10 . 1 1 24 24 ILE CA C 354 59.835 59.835 60.622 -0.787 17741 5407 1 10 . 1 1 24 24 ILE CB C 354 40.605 40.605 41.713 -1.108 17741 5408 1 10 . 1 1 24 24 ILE H H 354 8.436 8.436 8.533 -0.097 17741 5409 1 10 . 1 1 25 25 ARG N N 355 121.401 121.401 121.230 0.171 17741 5410 1 10 . 1 1 25 25 ARG HA H 355 4.916 4.916 4.836 0.080 17741 5411 1 10 . 1 1 25 25 ARG C C 355 175.099 175.099 173.847 1.252 17741 5412 1 10 . 1 1 25 25 ARG CA C 355 54.461 54.461 54.679 -0.218 17741 5413 1 10 . 1 1 25 25 ARG CB C 355 33.662 33.662 33.529 0.133 17741 5414 1 10 . 1 1 25 25 ARG H H 355 8.668 8.668 8.940 -0.272 17741 5415 1 10 . 1 1 26 26 TRP N N 356 122.022 122.022 121.243 0.779 17741 5416 1 10 . 1 1 26 26 TRP HA H 356 4.894 4.894 4.982 -0.088 17741 5417 1 10 . 1 1 26 26 TRP C C 356 176.606 176.606 176.700 -0.094 17741 5418 1 10 . 1 1 26 26 TRP CA C 356 57.835 57.835 56.974 0.861 17741 5419 1 10 . 1 1 26 26 TRP CB C 356 30.564 30.564 30.123 0.440 17741 5420 1 10 . 1 1 26 26 TRP H H 356 9.149 9.149 8.857 0.292 17741 5421 1 10 . 1 1 27 27 GLU N N 357 125.415 125.415 123.168 2.247 17741 5422 1 10 . 1 1 27 27 GLU HA H 357 4.686 4.686 4.493 0.193 17741 5423 1 10 . 1 1 27 27 GLU C C 357 176.709 176.709 176.536 0.173 17741 5424 1 10 . 1 1 27 27 GLU CA C 357 56.939 56.939 57.526 -0.587 17741 5425 1 10 . 1 1 27 27 GLU CB C 357 31.545 31.545 30.974 0.571 17741 5426 1 10 . 1 1 27 27 GLU H H 357 9.524 9.524 9.119 0.405 17741 5427 1 10 . 1 1 28 28 ASP N N 358 116.214 116.214 120.708 -4.494 17741 5428 1 10 . 1 1 28 28 ASP HA H 358 4.759 4.759 4.879 -0.120 17741 5429 1 10 . 1 1 28 28 ASP C C 358 176.124 176.124 175.952 0.172 17741 5430 1 10 . 1 1 28 28 ASP CA C 358 53.481 53.481 53.813 -0.332 17741 5431 1 10 . 1 1 28 28 ASP CB C 358 41.921 41.921 41.567 0.354 17741 5432 1 10 . 1 1 28 28 ASP H H 358 7.828 7.828 8.393 -0.565 17741 5433 1 10 . 1 1 29 29 LYS N N 359 127.750 127.750 123.953 3.797 17741 5434 1 10 . 1 1 29 29 LYS HA H 359 3.162 3.162 2.898 0.264 17741 5435 1 10 . 1 1 29 29 LYS C C 359 178.683 178.683 177.590 1.093 17741 5436 1 10 . 1 1 29 29 LYS CA C 359 60.173 60.173 59.481 0.692 17741 5437 1 10 . 1 1 29 29 LYS CB C 359 32.728 32.728 32.035 0.694 17741 5438 1 10 . 1 1 29 29 LYS H H 359 9.221 9.221 8.691 0.530 17741 5439 1 10 . 1 1 30 30 GLU N N 360 119.608 119.608 116.092 3.516 17741 5440 1 10 . 1 1 30 30 GLU HA H 360 3.923 3.923 4.059 -0.136 17741 5441 1 10 . 1 1 30 30 GLU C C 360 178.598 178.598 177.247 1.351 17741 5442 1 10 . 1 1 30 30 GLU CA C 360 59.512 59.512 58.320 1.192 17741 5443 1 10 . 1 1 30 30 GLU CB C 360 29.188 29.188 29.459 -0.271 17741 5444 1 10 . 1 1 30 30 GLU H H 360 8.343 8.343 8.614 -0.271 17741 5445 1 10 . 1 1 31 31 SER N N 361 113.313 113.313 113.357 -0.044 17741 5446 1 10 . 1 1 31 31 SER HA H 361 4.485 4.485 4.689 -0.204 17741 5447 1 10 . 1 1 31 31 SER C C 361 172.284 172.284 173.573 -1.289 17741 5448 1 10 . 1 1 31 31 SER CA C 361 58.745 58.745 57.837 0.907 17741 5449 1 10 . 1 1 31 31 SER CB C 361 63.728 63.728 63.723 0.005 17741 5450 1 10 . 1 1 31 31 SER H H 361 7.466 7.466 7.649 -0.183 17741 5451 1 10 . 1 1 32 32 LYS N N 362 115.197 115.197 118.971 -3.774 17741 5452 1 10 . 1 1 32 32 LYS HA H 362 3.894 3.894 3.865 0.029 17741 5453 1 10 . 1 1 32 32 LYS C C 362 175.489 175.489 174.929 0.560 17741 5454 1 10 . 1 1 32 32 LYS CA C 362 57.641 57.641 57.467 0.174 17741 5455 1 10 . 1 1 32 32 LYS CB C 362 29.811 29.811 30.052 -0.240 17741 5456 1 10 . 1 1 32 32 LYS H H 362 7.741 7.741 7.849 -0.108 17741 5457 1 10 . 1 1 33 33 ILE N N 363 118.359 118.359 119.316 -0.957 17741 5458 1 10 . 1 1 33 33 ILE HA H 363 5.356 5.356 5.021 0.335 17741 5459 1 10 . 1 1 33 33 ILE C C 363 177.019 177.019 175.629 1.390 17741 5460 1 10 . 1 1 33 33 ILE CA C 363 60.455 60.455 60.907 -0.452 17741 5461 1 10 . 1 1 33 33 ILE CB C 363 40.081 40.081 39.602 0.479 17741 5462 1 10 . 1 1 33 33 ILE H H 363 8.268 8.268 8.183 0.085 17741 5463 1 10 . 1 1 34 34 PHE N N 364 128.287 128.287 125.581 2.706 17741 5464 1 10 . 1 1 34 34 PHE HA H 364 5.576 5.576 5.628 -0.052 17741 5465 1 10 . 1 1 34 34 PHE C C 364 170.447 170.447 172.922 -2.475 17741 5466 1 10 . 1 1 34 34 PHE CA C 364 55.128 55.128 55.447 -0.319 17741 5467 1 10 . 1 1 34 34 PHE CB C 364 44.010 44.010 43.050 0.960 17741 5468 1 10 . 1 1 34 34 PHE H H 364 9.962 9.962 9.524 0.438 17741 5469 1 10 . 1 1 35 35 ARG N N 365 120.900 120.900 121.780 -0.880 17741 5470 1 10 . 1 1 35 35 ARG HA H 365 5.486 5.486 5.221 0.265 17741 5471 1 10 . 1 1 35 35 ARG C C 365 176.462 176.462 175.562 0.900 17741 5472 1 10 . 1 1 35 35 ARG CA C 365 53.609 53.609 53.705 -0.096 17741 5473 1 10 . 1 1 35 35 ARG CB C 365 36.518 36.518 33.128 3.390 17741 5474 1 10 . 1 1 35 35 ARG H H 365 9.427 9.427 9.136 0.291 17741 5475 1 10 . 1 1 36 36 ILE N N 366 125.534 125.534 128.336 -2.802 17741 5476 1 10 . 1 1 36 36 ILE HA H 366 4.209 4.209 4.151 0.058 17741 5477 1 10 . 1 1 36 36 ILE C C 366 173.899 173.899 175.408 -1.509 17741 5478 1 10 . 1 1 36 36 ILE CA C 366 63.033 63.033 62.921 0.112 17741 5479 1 10 . 1 1 36 36 ILE CB C 366 37.889 37.889 37.639 0.250 17741 5480 1 10 . 1 1 36 36 ILE H H 366 8.643 8.643 9.123 -0.480 17741 5481 1 10 . 1 1 37 37 VAL N N 367 129.194 129.194 128.071 1.123 17741 5482 1 10 . 1 1 37 37 VAL HA H 367 3.679 3.679 3.960 -0.281 17741 5483 1 10 . 1 1 37 37 VAL C C 367 175.919 175.919 176.382 -0.463 17741 5484 1 10 . 1 1 37 37 VAL CA C 367 64.068 64.068 64.484 -0.415 17741 5485 1 10 . 1 1 37 37 VAL CB C 367 32.884 32.884 32.144 0.740 17741 5486 1 10 . 1 1 37 37 VAL H H 367 7.841 7.841 8.400 -0.559 17741 5487 1 10 . 1 1 38 38 ASP N N 368 114.969 114.969 117.690 -2.721 17741 5488 1 10 . 1 1 38 38 ASP HA H 368 5.222 5.222 5.094 0.128 17741 5489 1 10 . 1 1 38 38 ASP C C 368 173.227 173.227 174.612 -1.385 17741 5490 1 10 . 1 1 38 38 ASP CA C 368 50.238 50.238 51.228 -0.990 17741 5491 1 10 . 1 1 38 38 ASP CB C 368 42.181 42.181 42.847 -0.666 17741 5492 1 10 . 1 1 38 38 ASP H H 368 7.316 7.316 8.188 -0.872 17741 5493 1 10 . 1 1 39 39 PRO HA H 369 3.809 3.809 4.063 -0.254 17741 5494 1 10 . 1 1 39 39 PRO C C 369 177.958 177.958 178.513 -0.555 17741 5495 1 10 . 1 1 39 39 PRO CA C 369 65.612 65.612 64.987 0.625 17741 5496 1 10 . 1 1 39 39 PRO CB C 369 31.068 31.068 31.788 -0.720 17741 5497 1 10 . 1 1 40 40 ASN N N 370 115.480 115.480 117.856 -2.376 17741 5498 1 10 . 1 1 40 40 ASN HA H 370 4.604 4.604 4.493 0.111 17741 5499 1 10 . 1 1 40 40 ASN C C 370 178.566 178.566 177.776 0.790 17741 5500 1 10 . 1 1 40 40 ASN CA C 370 56.471 56.471 56.420 0.050 17741 5501 1 10 . 1 1 40 40 ASN CB C 370 38.068 38.068 38.217 -0.149 17741 5502 1 10 . 1 1 40 40 ASN H H 370 8.094 8.094 7.997 0.097 17741 5503 1 10 . 1 1 41 41 GLY N N 371 111.371 111.371 107.875 3.496 17741 5504 1 10 . 1 1 41 41 GLY C C 371 176.018 176.018 175.696 0.322 17741 5505 1 10 . 1 1 41 41 GLY CA C 371 47.862 47.862 46.286 1.576 17741 5506 1 10 . 1 1 41 41 GLY H H 371 8.632 8.632 9.143 -0.511 17741 5507 1 10 . 1 1 42 42 LEU N N 372 122.901 122.901 122.349 0.552 17741 5508 1 10 . 1 1 42 42 LEU HA H 372 4.035 4.035 4.220 -0.185 17741 5509 1 10 . 1 1 42 42 LEU C C 372 177.704 177.704 178.605 -0.901 17741 5510 1 10 . 1 1 42 42 LEU CA C 372 57.913 57.913 57.094 0.819 17741 5511 1 10 . 1 1 42 42 LEU CB C 372 42.136 42.136 41.340 0.796 17741 5512 1 10 . 1 1 42 42 LEU H H 372 8.876 8.876 7.730 1.146 17741 5513 1 10 . 1 1 43 43 ALA N N 373 120.103 120.103 121.706 -1.603 17741 5514 1 10 . 1 1 43 43 ALA HA H 373 4.462 4.462 4.234 0.228 17741 5515 1 10 . 1 1 43 43 ALA C C 373 179.091 179.091 179.064 0.027 17741 5516 1 10 . 1 1 43 43 ALA CA C 373 55.441 55.441 55.305 0.136 17741 5517 1 10 . 1 1 43 43 ALA CB C 373 18.098 18.098 18.611 -0.513 17741 5518 1 10 . 1 1 43 43 ALA H H 373 8.062 8.062 8.606 -0.544 17741 5519 1 10 . 1 1 44 44 ARG N N 374 118.071 118.071 118.843 -0.772 17741 5520 1 10 . 1 1 44 44 ARG HA H 374 4.117 4.117 4.085 0.032 17741 5521 1 10 . 1 1 44 44 ARG C C 374 179.414 179.414 178.347 1.067 17741 5522 1 10 . 1 1 44 44 ARG CA C 374 59.297 59.297 59.043 0.254 17741 5523 1 10 . 1 1 44 44 ARG CB C 374 30.069 30.069 29.832 0.237 17741 5524 1 10 . 1 1 44 44 ARG H H 374 7.725 7.725 7.819 -0.094 17741 5525 1 10 . 1 1 45 45 LEU N N 375 121.601 121.601 121.505 0.096 17741 5526 1 10 . 1 1 45 45 LEU HA H 375 4.015 4.015 4.185 -0.170 17741 5527 1 10 . 1 1 45 45 LEU C C 375 180.087 180.087 178.709 1.378 17741 5528 1 10 . 1 1 45 45 LEU CA C 375 58.553 58.553 58.191 0.361 17741 5529 1 10 . 1 1 45 45 LEU CB C 375 41.495 41.495 41.361 0.134 17741 5530 1 10 . 1 1 45 45 LEU H H 375 7.877 7.877 7.590 0.287 17741 5531 1 10 . 1 1 46 46 TRP N N 376 121.543 121.543 121.230 0.313 17741 5532 1 10 . 1 1 46 46 TRP HA H 376 4.333 4.333 3.843 0.490 17741 5533 1 10 . 1 1 46 46 TRP C C 376 177.572 177.572 178.402 -0.830 17741 5534 1 10 . 1 1 46 46 TRP CA C 376 59.091 59.091 59.428 -0.337 17741 5535 1 10 . 1 1 46 46 TRP CB C 376 30.305 30.305 29.660 0.645 17741 5536 1 10 . 1 1 46 46 TRP H H 376 8.615 8.615 8.626 -0.011 17741 5537 1 10 . 1 1 47 47 GLY N N 377 105.532 105.532 105.802 -0.270 17741 5538 1 10 . 1 1 47 47 GLY C C 377 176.057 176.057 175.947 0.110 17741 5539 1 10 . 1 1 47 47 GLY CA C 377 48.035 48.035 47.181 0.854 17741 5540 1 10 . 1 1 47 47 GLY H H 377 8.877 8.877 8.979 -0.102 17741 5541 1 10 . 1 1 48 48 ASN N N 378 119.996 119.996 120.684 -0.688 17741 5542 1 10 . 1 1 48 48 ASN HA H 378 4.403 4.403 4.417 -0.014 17741 5543 1 10 . 1 1 48 48 ASN C C 378 178.112 178.112 178.066 0.046 17741 5544 1 10 . 1 1 48 48 ASN CA C 378 56.229 56.229 56.103 0.126 17741 5545 1 10 . 1 1 48 48 ASN CB C 378 38.272 38.272 38.156 0.116 17741 5546 1 10 . 1 1 48 48 ASN H H 378 8.176 8.176 7.820 0.356 17741 5547 1 10 . 1 1 49 49 HIS N N 379 121.459 121.459 120.680 0.779 17741 5548 1 10 . 1 1 49 49 HIS HA H 379 4.129 4.129 4.285 -0.156 17741 5549 1 10 . 1 1 49 49 HIS C C 379 175.858 175.858 176.437 -0.579 17741 5550 1 10 . 1 1 49 49 HIS CA C 379 59.234 59.234 58.972 0.262 17741 5551 1 10 . 1 1 49 49 HIS CB C 379 29.473 29.473 29.543 -0.070 17741 5552 1 10 . 1 1 49 49 HIS H H 379 8.138 8.138 8.604 -0.466 17741 5553 1 10 . 1 1 50 50 LYS N N 380 115.130 115.130 114.791 0.339 17741 5554 1 10 . 1 1 50 50 LYS HA H 380 3.797 3.797 4.072 -0.275 17741 5555 1 10 . 1 1 50 50 LYS C C 380 175.468 175.468 175.368 0.100 17741 5556 1 10 . 1 1 50 50 LYS CA C 380 54.085 54.085 55.834 -1.749 17741 5557 1 10 . 1 1 50 50 LYS CB C 380 30.887 30.887 32.504 -1.617 17741 5558 1 10 . 1 1 50 50 LYS H H 380 7.552 7.552 7.417 0.135 17741 5559 1 10 . 1 1 51 51 ASN N N 381 116.632 116.632 116.539 0.093 17741 5560 1 10 . 1 1 51 51 ASN HA H 381 4.264 4.264 4.236 0.028 17741 5561 1 10 . 1 1 51 51 ASN C C 381 174.332 174.332 173.904 0.428 17741 5562 1 10 . 1 1 51 51 ASN CA C 381 54.189 54.189 53.738 0.451 17741 5563 1 10 . 1 1 51 51 ASN CB C 381 37.343 37.343 37.887 -0.544 17741 5564 1 10 . 1 1 51 51 ASN H H 381 7.715 7.715 7.566 0.149 17741 5565 1 10 . 1 1 52 52 ARG N N 382 117.701 117.701 118.360 -0.659 17741 5566 1 10 . 1 1 52 52 ARG HA H 382 4.583 4.583 4.666 -0.083 17741 5567 1 10 . 1 1 52 52 ARG C C 382 176.172 176.172 176.124 0.048 17741 5568 1 10 . 1 1 52 52 ARG CA C 382 54.167 54.167 53.787 0.380 17741 5569 1 10 . 1 1 52 52 ARG CB C 382 31.882 31.882 31.717 0.165 17741 5570 1 10 . 1 1 52 52 ARG H H 382 8.465 8.465 8.351 0.114 17741 5571 1 10 . 1 1 53 53 THR N N 383 114.338 114.338 117.452 -3.114 17741 5572 1 10 . 1 1 53 53 THR HA H 383 4.208 4.208 4.235 -0.027 17741 5573 1 10 . 1 1 53 53 THR C C 383 174.496 174.496 174.850 -0.354 17741 5574 1 10 . 1 1 53 53 THR CA C 383 62.345 62.345 63.940 -1.595 17741 5575 1 10 . 1 1 53 53 THR CB C 383 69.699 69.699 69.260 0.439 17741 5576 1 10 . 1 1 53 53 THR H H 383 8.274 8.274 8.432 -0.158 17741 5577 1 10 . 1 1 54 54 ASN N N 384 119.031 119.031 118.494 0.537 17741 5578 1 10 . 1 1 54 54 ASN HA H 384 4.607 4.607 4.794 -0.187 17741 5579 1 10 . 1 1 54 54 ASN C C 384 174.829 174.829 174.034 0.795 17741 5580 1 10 . 1 1 54 54 ASN CA C 384 53.155 53.155 52.657 0.498 17741 5581 1 10 . 1 1 54 54 ASN CB C 384 37.871 37.871 38.245 -0.374 17741 5582 1 10 . 1 1 54 54 ASN H H 384 8.457 8.457 8.195 0.262 17741 5583 1 10 . 1 1 55 55 MET N N 385 119.922 119.922 119.447 0.475 17741 5584 1 10 . 1 1 55 55 MET HA H 385 4.558 4.558 4.643 -0.085 17741 5585 1 10 . 1 1 55 55 MET C C 385 174.921 174.921 175.528 -0.607 17741 5586 1 10 . 1 1 55 55 MET CA C 385 55.271 55.271 54.886 0.385 17741 5587 1 10 . 1 1 55 55 MET CB C 385 30.991 30.991 33.334 -2.343 17741 5588 1 10 . 1 1 55 55 MET H H 385 8.073 8.073 7.541 0.532 17741 5589 1 10 . 1 1 56 56 THR N N 386 113.771 113.771 117.290 -3.519 17741 5590 1 10 . 1 1 56 56 THR HA H 386 4.693 4.693 4.635 0.058 17741 5591 1 10 . 1 1 56 56 THR C C 386 175.459 175.459 174.451 1.008 17741 5592 1 10 . 1 1 56 56 THR CA C 386 59.043 59.043 59.504 -0.461 17741 5593 1 10 . 1 1 56 56 THR CB C 386 72.393 72.393 71.735 0.658 17741 5594 1 10 . 1 1 56 56 THR H H 386 7.076 7.076 8.191 -1.115 17741 5595 1 10 . 1 1 57 57 TYR N N 387 123.521 123.521 121.785 1.736 17741 5596 1 10 . 1 1 57 57 TYR HA H 387 4.127 4.127 4.244 -0.117 17741 5597 1 10 . 1 1 57 57 TYR C C 387 177.432 177.432 177.059 0.373 17741 5598 1 10 . 1 1 57 57 TYR CA C 387 62.527 62.527 61.572 0.955 17741 5599 1 10 . 1 1 57 57 TYR CB C 387 37.289 37.289 39.014 -1.726 17741 5600 1 10 . 1 1 57 57 TYR H H 387 9.726 9.726 8.987 0.739 17741 5601 1 10 . 1 1 58 58 GLU N N 388 121.083 121.083 119.701 1.382 17741 5602 1 10 . 1 1 58 58 GLU HA H 388 3.825 3.825 3.738 0.087 17741 5603 1 10 . 1 1 58 58 GLU C C 388 179.225 179.225 178.703 0.522 17741 5604 1 10 . 1 1 58 58 GLU CA C 388 60.476 60.476 59.881 0.595 17741 5605 1 10 . 1 1 58 58 GLU CB C 388 29.087 29.087 29.174 -0.087 17741 5606 1 10 . 1 1 58 58 GLU H H 388 8.843 8.843 8.147 0.696 17741 5607 1 10 . 1 1 59 59 LYS N N 389 119.209 119.209 118.434 0.775 17741 5608 1 10 . 1 1 59 59 LYS HA H 389 3.971 3.971 3.965 0.006 17741 5609 1 10 . 1 1 59 59 LYS C C 389 179.944 179.944 178.993 0.951 17741 5610 1 10 . 1 1 59 59 LYS CA C 389 59.897 59.897 58.940 0.957 17741 5611 1 10 . 1 1 59 59 LYS CB C 389 33.359 33.359 32.085 1.274 17741 5612 1 10 . 1 1 59 59 LYS H H 389 7.605 7.605 7.489 0.116 17741 5613 1 10 . 1 1 60 60 MET N N 390 122.401 122.401 120.693 1.708 17741 5614 1 10 . 1 1 60 60 MET HA H 390 3.944 3.944 3.942 0.002 17741 5615 1 10 . 1 1 60 60 MET C C 390 177.716 177.716 177.371 0.345 17741 5616 1 10 . 1 1 60 60 MET CA C 390 59.547 59.547 59.156 0.391 17741 5617 1 10 . 1 1 60 60 MET CB C 390 33.315 33.315 32.302 1.013 17741 5618 1 10 . 1 1 60 60 MET H H 390 8.229 8.229 7.723 0.506 17741 5619 1 10 . 1 1 61 61 SER N N 391 114.652 114.652 114.568 0.084 17741 5620 1 10 . 1 1 61 61 SER HA H 391 3.771 3.771 3.775 -0.004 17741 5621 1 10 . 1 1 61 61 SER C C 391 176.449 176.449 176.289 0.160 17741 5622 1 10 . 1 1 61 61 SER CA C 391 61.554 61.554 61.601 -0.047 17741 5623 1 10 . 1 1 61 61 SER CB C 391 62.278 62.278 62.825 -0.547 17741 5624 1 10 . 1 1 61 61 SER H H 391 8.829 8.829 8.150 0.679 17741 5625 1 10 . 1 1 62 62 ARG N N 392 122.213 122.213 120.355 1.858 17741 5626 1 10 . 1 1 62 62 ARG HA H 392 3.945 3.945 3.874 0.071 17741 5627 1 10 . 1 1 62 62 ARG C C 392 178.600 178.600 178.400 0.200 17741 5628 1 10 . 1 1 62 62 ARG CA C 392 59.571 59.571 58.200 1.371 17741 5629 1 10 . 1 1 62 62 ARG CB C 392 29.914 29.914 29.177 0.737 17741 5630 1 10 . 1 1 62 62 ARG H H 392 7.413 7.413 7.680 -0.267 17741 5631 1 10 . 1 1 63 63 ALA N N 393 122.327 122.327 122.150 0.177 17741 5632 1 10 . 1 1 63 63 ALA HA H 393 4.157 4.157 3.761 0.396 17741 5633 1 10 . 1 1 63 63 ALA C C 393 180.147 180.147 179.125 1.022 17741 5634 1 10 . 1 1 63 63 ALA CA C 393 54.749 54.749 54.641 0.108 17741 5635 1 10 . 1 1 63 63 ALA CB C 393 18.529 18.529 17.925 0.604 17741 5636 1 10 . 1 1 63 63 ALA H H 393 7.256 7.256 7.498 -0.242 17741 5637 1 10 . 1 1 64 64 LEU N N 394 117.582 117.582 117.959 -0.377 17741 5638 1 10 . 1 1 64 64 LEU HA H 394 3.769 3.769 3.507 0.262 17741 5639 1 10 . 1 1 64 64 LEU C C 394 178.139 178.139 178.661 -0.522 17741 5640 1 10 . 1 1 64 64 LEU CA C 394 58.012 58.012 57.250 0.762 17741 5641 1 10 . 1 1 64 64 LEU CB C 394 41.396 41.396 41.197 0.199 17741 5642 1 10 . 1 1 64 64 LEU H H 394 7.768 7.768 7.717 0.051 17741 5643 1 10 . 1 1 65 65 ARG N N 395 116.204 116.204 116.848 -0.644 17741 5644 1 10 . 1 1 65 65 ARG HA H 395 3.445 3.445 3.146 0.299 17741 5645 1 10 . 1 1 65 65 ARG C C 395 179.423 179.423 179.274 0.149 17741 5646 1 10 . 1 1 65 65 ARG CA C 395 58.829 58.829 58.413 0.416 17741 5647 1 10 . 1 1 65 65 ARG CB C 395 29.776 29.776 29.283 0.493 17741 5648 1 10 . 1 1 65 65 ARG H H 395 7.595 7.595 8.030 -0.435 17741 5649 1 10 . 1 1 66 66 HIS N N 396 118.573 118.573 120.336 -1.763 17741 5650 1 10 . 1 1 66 66 HIS HA H 396 4.401 4.401 4.360 0.041 17741 5651 1 10 . 1 1 66 66 HIS C C 396 177.218 177.218 177.380 -0.162 17741 5652 1 10 . 1 1 66 66 HIS CA C 396 58.821 58.821 58.764 0.057 17741 5653 1 10 . 1 1 66 66 HIS CB C 396 29.753 29.753 29.610 0.143 17741 5654 1 10 . 1 1 66 66 HIS H H 396 7.362 7.362 7.604 -0.242 17741 5655 1 10 . 1 1 67 67 TYR N N 397 115.773 115.773 119.196 -3.423 17741 5656 1 10 . 1 1 67 67 TYR HA H 397 4.259 4.259 4.078 0.181 17741 5657 1 10 . 1 1 67 67 TYR C C 397 178.802 178.802 178.233 0.569 17741 5658 1 10 . 1 1 67 67 TYR CA C 397 60.329 60.329 59.731 0.598 17741 5659 1 10 . 1 1 67 67 TYR CB C 397 37.379 37.379 36.687 0.692 17741 5660 1 10 . 1 1 67 67 TYR H H 397 7.568 7.568 7.622 -0.054 17741 5661 1 10 . 1 1 68 68 TYR N N 398 121.825 121.825 118.182 3.643 17741 5662 1 10 . 1 1 68 68 TYR HA H 398 5.413 5.413 4.752 0.661 17741 5663 1 10 . 1 1 68 68 TYR C C 398 181.169 181.169 178.856 2.313 17741 5664 1 10 . 1 1 68 68 TYR CA C 398 57.775 57.775 59.357 -1.582 17741 5665 1 10 . 1 1 68 68 TYR CB C 398 36.972 36.972 37.202 -0.230 17741 5666 1 10 . 1 1 68 68 TYR H H 398 8.116 8.116 7.435 0.681 17741 5667 1 10 . 1 1 69 69 LYS N N 399 120.934 120.934 119.223 1.711 17741 5668 1 10 . 1 1 69 69 LYS HA H 399 4.127 4.127 4.135 -0.008 17741 5669 1 10 . 1 1 69 69 LYS C C 399 177.928 177.928 177.964 -0.036 17741 5670 1 10 . 1 1 69 69 LYS CA C 399 58.912 58.912 59.051 -0.139 17741 5671 1 10 . 1 1 69 69 LYS CB C 399 32.188 32.188 32.157 0.030 17741 5672 1 10 . 1 1 69 69 LYS H H 399 7.771 7.771 8.181 -0.410 17741 5673 1 10 . 1 1 70 70 LEU N N 400 116.022 116.022 116.787 -0.765 17741 5674 1 10 . 1 1 70 70 LEU HA H 400 4.291 4.291 4.322 -0.031 17741 5675 1 10 . 1 1 70 70 LEU C C 400 175.827 175.827 176.523 -0.696 17741 5676 1 10 . 1 1 70 70 LEU CA C 400 54.675 54.675 54.475 0.200 17741 5677 1 10 . 1 1 70 70 LEU CB C 400 43.081 43.081 40.798 2.283 17741 5678 1 10 . 1 1 70 70 LEU H H 400 7.144 7.144 7.591 -0.447 17741 5679 1 10 . 1 1 71 71 ASN N N 401 115.201 115.201 115.070 0.131 17741 5680 1 10 . 1 1 71 71 ASN HA H 401 4.352 4.352 4.399 -0.047 17741 5681 1 10 . 1 1 71 71 ASN C C 401 173.517 173.517 174.449 -0.932 17741 5682 1 10 . 1 1 71 71 ASN CA C 401 54.602 54.602 55.049 -0.447 17741 5683 1 10 . 1 1 71 71 ASN CB C 401 37.381 37.381 36.928 0.452 17741 5684 1 10 . 1 1 71 71 ASN H H 401 8.047 8.047 7.715 0.332 17741 5685 1 10 . 1 1 72 72 ILE N N 402 113.907 113.907 115.480 -1.573 17741 5686 1 10 . 1 1 72 72 ILE HA H 402 4.059 4.059 4.022 0.037 17741 5687 1 10 . 1 1 72 72 ILE C C 402 176.279 176.279 175.521 0.758 17741 5688 1 10 . 1 1 72 72 ILE CA C 402 63.797 63.797 62.483 1.314 17741 5689 1 10 . 1 1 72 72 ILE CB C 402 40.395 40.395 39.891 0.504 17741 5690 1 10 . 1 1 72 72 ILE H H 402 7.986 7.986 8.443 -0.457 17741 5691 1 10 . 1 1 73 73 ILE N N 403 116.766 116.766 116.105 0.661 17741 5692 1 10 . 1 1 73 73 ILE HA H 403 5.042 5.042 4.785 0.257 17741 5693 1 10 . 1 1 73 73 ILE C C 403 173.945 173.945 174.211 -0.266 17741 5694 1 10 . 1 1 73 73 ILE CA C 403 59.247 59.247 59.244 0.003 17741 5695 1 10 . 1 1 73 73 ILE CB C 403 43.414 43.414 42.342 1.072 17741 5696 1 10 . 1 1 73 73 ILE H H 403 7.042 7.042 7.344 -0.302 17741 5697 1 10 . 1 1 74 74 ARG N N 404 123.256 123.256 120.993 2.263 17741 5698 1 10 . 1 1 74 74 ARG HA H 404 4.751 4.751 4.460 0.291 17741 5699 1 10 . 1 1 74 74 ARG C C 404 174.757 174.757 173.663 1.094 17741 5700 1 10 . 1 1 74 74 ARG CA C 404 54.274 54.274 54.485 -0.211 17741 5701 1 10 . 1 1 74 74 ARG CB C 404 34.492 34.492 33.579 0.913 17741 5702 1 10 . 1 1 74 74 ARG H H 404 8.931 8.931 9.256 -0.325 17741 5703 1 10 . 1 1 75 75 LYS N N 405 125.627 125.627 121.321 4.306 17741 5704 1 10 . 1 1 75 75 LYS HA H 405 4.076 4.076 4.403 -0.327 17741 5705 1 10 . 1 1 75 75 LYS C C 405 176.481 176.481 176.036 0.445 17741 5706 1 10 . 1 1 75 75 LYS CA C 405 56.446 56.446 53.913 2.534 17741 5707 1 10 . 1 1 75 75 LYS CB C 405 32.758 32.758 33.774 -1.016 17741 5708 1 10 . 1 1 75 75 LYS H H 405 8.294 8.294 8.084 0.210 17741 5709 1 10 . 1 1 76 76 GLU N N 406 128.187 128.187 125.859 2.328 17741 5710 1 10 . 1 1 76 76 GLU HA H 406 4.447 4.447 4.543 -0.096 17741 5711 1 10 . 1 1 76 76 GLU C C 406 174.401 174.401 174.960 -0.559 17741 5712 1 10 . 1 1 76 76 GLU CA C 406 53.751 53.751 53.228 0.523 17741 5713 1 10 . 1 1 76 76 GLU CB C 406 29.951 29.951 28.249 1.702 17741 5714 1 10 . 1 1 76 76 GLU H H 406 8.016 8.016 8.049 -0.033 17741 5715 1 10 . 1 1 77 77 PRO HA H 407 4.288 4.288 4.352 -0.064 17741 5716 1 10 . 1 1 77 77 PRO C C 407 177.654 177.654 176.850 0.804 17741 5717 1 10 . 1 1 77 77 PRO CA C 407 63.433 63.433 63.048 0.385 17741 5718 1 10 . 1 1 77 77 PRO CB C 407 32.152 32.152 31.096 1.056 17741 5719 1 10 . 1 1 78 78 GLY N N 408 109.679 109.679 113.005 -3.326 17741 5720 1 10 . 1 1 78 78 GLY C C 408 173.976 173.976 174.098 -0.122 17741 5721 1 10 . 1 1 78 78 GLY CA C 408 45.539 45.539 44.852 0.687 17741 5722 1 10 . 1 1 78 78 GLY H H 408 8.514 8.514 8.437 0.077 17741 5723 1 10 . 1 1 79 79 GLN N N 409 116.897 116.897 120.192 -3.295 17741 5724 1 10 . 1 1 79 79 GLN HA H 409 4.489 4.489 4.449 0.040 17741 5725 1 10 . 1 1 79 79 GLN C C 409 175.371 175.371 175.899 -0.528 17741 5726 1 10 . 1 1 79 79 GLN CA C 409 54.472 54.472 55.358 -0.886 17741 5727 1 10 . 1 1 79 79 GLN CB C 409 31.301 31.301 29.515 1.786 17741 5728 1 10 . 1 1 79 79 GLN H H 409 7.572 7.572 8.761 -1.189 17741 5729 1 10 . 1 1 80 80 ARG N N 410 120.458 120.458 119.726 0.732 17741 5730 1 10 . 1 1 80 80 ARG HA H 410 4.275 4.275 4.188 0.087 17741 5731 1 10 . 1 1 80 80 ARG C C 410 176.227 176.227 177.135 -0.908 17741 5732 1 10 . 1 1 80 80 ARG CA C 410 56.891 56.891 58.403 -1.512 17741 5733 1 10 . 1 1 80 80 ARG CB C 410 31.475 31.475 30.309 1.166 17741 5734 1 10 . 1 1 80 80 ARG H H 410 8.254 8.254 8.648 -0.394 17741 5735 1 10 . 1 1 81 81 LEU N N 411 119.424 119.424 121.101 -1.677 17741 5736 1 10 . 1 1 81 81 LEU HA H 411 4.048 4.048 4.541 -0.493 17741 5737 1 10 . 1 1 81 81 LEU C C 411 173.277 173.277 175.038 -1.761 17741 5738 1 10 . 1 1 81 81 LEU CA C 411 55.111 55.111 53.799 1.312 17741 5739 1 10 . 1 1 81 81 LEU CB C 411 40.298 40.298 41.795 -1.497 17741 5740 1 10 . 1 1 81 81 LEU H H 411 8.467 8.467 7.971 0.496 17741 5741 1 10 . 1 1 82 82 LEU N N 412 119.126 119.126 121.868 -2.742 17741 5742 1 10 . 1 1 82 82 LEU HA H 412 5.036 5.036 4.841 0.195 17741 5743 1 10 . 1 1 82 82 LEU C C 412 175.323 175.323 174.545 0.778 17741 5744 1 10 . 1 1 82 82 LEU CA C 412 53.175 53.175 53.374 -0.199 17741 5745 1 10 . 1 1 82 82 LEU CB C 412 45.482 45.482 43.436 2.046 17741 5746 1 10 . 1 1 82 82 LEU H H 412 6.769 6.769 7.146 -0.377 17741 5747 1 10 . 1 1 83 83 PHE N N 413 122.107 122.107 123.652 -1.545 17741 5748 1 10 . 1 1 83 83 PHE HA H 413 4.848 4.848 4.931 -0.083 17741 5749 1 10 . 1 1 83 83 PHE C C 413 172.764 172.764 173.702 -0.938 17741 5750 1 10 . 1 1 83 83 PHE CA C 413 55.848 55.848 56.209 -0.361 17741 5751 1 10 . 1 1 83 83 PHE CB C 413 44.675 44.675 42.940 1.735 17741 5752 1 10 . 1 1 83 83 PHE H H 413 8.648 8.648 9.076 -0.428 17741 5753 1 10 . 1 1 84 84 ARG N N 414 119.466 119.466 121.659 -2.193 17741 5754 1 10 . 1 1 84 84 ARG HA H 414 5.578 5.578 5.288 0.290 17741 5755 1 10 . 1 1 84 84 ARG C C 414 177.476 177.476 175.085 2.391 17741 5756 1 10 . 1 1 84 84 ARG CA C 414 54.198 54.198 54.066 0.132 17741 5757 1 10 . 1 1 84 84 ARG CB C 414 36.128 36.128 33.943 2.185 17741 5758 1 10 . 1 1 84 84 ARG H H 414 9.117 9.117 8.433 0.684 17741 5759 1 10 . 1 1 85 85 PHE N N 415 124.357 124.357 126.653 -2.296 17741 5760 1 10 . 1 1 85 85 PHE HA H 415 5.037 5.037 4.843 0.194 17741 5761 1 10 . 1 1 85 85 PHE C C 415 176.084 176.084 176.096 -0.012 17741 5762 1 10 . 1 1 85 85 PHE CA C 415 59.719 59.719 59.910 -0.191 17741 5763 1 10 . 1 1 85 85 PHE CB C 415 40.812 40.812 39.296 1.516 17741 5764 1 10 . 1 1 85 85 PHE H H 415 8.984 8.984 9.517 -0.533 17741 5765 1 10 . 1 1 86 86 MET N N 416 121.301 121.301 123.572 -2.271 17741 5766 1 10 . 1 1 86 86 MET HA H 416 4.670 4.670 4.253 0.417 17741 5767 1 10 . 1 1 86 86 MET C C 416 176.543 176.543 176.851 -0.308 17741 5768 1 10 . 1 1 86 86 MET CA C 416 54.863 54.863 57.249 -2.386 17741 5769 1 10 . 1 1 86 86 MET CB C 416 31.711 31.711 32.482 -0.771 17741 5770 1 10 . 1 1 86 86 MET H H 416 8.671 8.671 8.538 0.133 17741 5771 1 10 . 1 1 87 87 LYS N N 417 117.759 117.759 115.859 1.900 17741 5772 1 10 . 1 1 87 87 LYS HA H 417 4.856 4.856 4.753 0.103 17741 5773 1 10 . 1 1 87 87 LYS C C 417 175.445 175.445 175.422 0.023 17741 5774 1 10 . 1 1 87 87 LYS CA C 417 54.550 54.550 54.549 0.001 17741 5775 1 10 . 1 1 87 87 LYS CB C 417 37.828 37.828 36.932 0.896 17741 5776 1 10 . 1 1 87 87 LYS H H 417 7.656 7.656 7.677 -0.021 17741 5777 1 10 . 1 1 88 88 THR N N 418 112.506 112.506 111.918 0.588 17741 5778 1 10 . 1 1 88 88 THR HA H 418 4.372 4.372 5.092 -0.720 17741 5779 1 10 . 1 1 88 88 THR C C 418 173.594 173.594 173.945 -0.351 17741 5780 1 10 . 1 1 88 88 THR CA C 418 59.640 59.640 58.581 1.059 17741 5781 1 10 . 1 1 88 88 THR CB C 418 68.065 68.065 68.863 -0.798 17741 5782 1 10 . 1 1 88 88 THR H H 418 8.685 8.685 8.505 0.180 17741 5783 1 10 . 1 1 89 89 PRO HA H 419 3.748 3.748 4.151 -0.403 17741 5784 1 10 . 1 1 89 89 PRO C C 419 177.219 177.219 178.708 -1.489 17741 5785 1 10 . 1 1 89 89 PRO CA C 419 65.592 65.592 66.262 -0.670 17741 5786 1 10 . 1 1 89 89 PRO CB C 419 31.739 31.739 31.744 -0.005 17741 5787 1 10 . 1 1 90 90 ASP N N 420 114.631 114.631 115.348 -0.717 17741 5788 1 10 . 1 1 90 90 ASP HA H 420 4.265 4.265 4.365 -0.100 17741 5789 1 10 . 1 1 90 90 ASP C C 420 177.962 177.962 177.263 0.699 17741 5790 1 10 . 1 1 90 90 ASP CA C 420 56.371 56.371 56.940 -0.569 17741 5791 1 10 . 1 1 90 90 ASP CB C 420 40.662 40.662 40.825 -0.163 17741 5792 1 10 . 1 1 90 90 ASP H H 420 7.962 7.962 8.603 -0.641 17741 5793 1 10 . 1 1 91 91 GLU N N 421 119.501 119.501 117.916 1.585 17741 5794 1 10 . 1 1 91 91 GLU HA H 421 4.043 4.043 4.105 -0.062 17741 5795 1 10 . 1 1 91 91 GLU C C 421 178.599 178.599 179.046 -0.447 17741 5796 1 10 . 1 1 91 91 GLU CA C 421 58.113 58.113 58.278 -0.165 17741 5797 1 10 . 1 1 91 91 GLU CB C 421 30.721 30.721 30.027 0.694 17741 5798 1 10 . 1 1 91 91 GLU H H 421 7.661 7.661 7.678 -0.017 17741 5799 1 10 . 1 1 92 92 ILE N N 422 120.594 120.594 120.526 0.068 17741 5800 1 10 . 1 1 92 92 ILE HA H 422 3.641 3.641 3.689 -0.048 17741 5801 1 10 . 1 1 92 92 ILE C C 422 177.752 177.752 177.882 -0.130 17741 5802 1 10 . 1 1 92 92 ILE CA C 422 62.931 62.931 65.279 -2.348 17741 5803 1 10 . 1 1 92 92 ILE CB C 422 38.185 38.185 37.875 0.310 17741 5804 1 10 . 1 1 92 92 ILE H H 422 7.861 7.861 8.292 -0.431 17741 5805 1 10 . 1 1 93 93 MET N N 423 119.187 119.187 115.871 3.316 17741 5806 1 10 . 1 1 93 93 MET HA H 423 4.391 4.391 4.491 -0.100 17741 5807 1 10 . 1 1 93 93 MET C C 423 176.982 176.982 177.456 -0.474 17741 5808 1 10 . 1 1 93 93 MET CA C 423 56.491 56.491 56.936 -0.445 17741 5809 1 10 . 1 1 93 93 MET CB C 423 32.584 32.584 32.156 0.428 17741 5810 1 10 . 1 1 93 93 MET H H 423 8.158 8.158 8.476 -0.318 17741 5811 1 10 . 1 1 94 94 SER N N 424 114.933 114.933 115.705 -0.772 17741 5812 1 10 . 1 1 94 94 SER HA H 424 4.394 4.394 4.379 0.015 17741 5813 1 10 . 1 1 94 94 SER C C 424 175.238 175.238 175.553 -0.315 17741 5814 1 10 . 1 1 94 94 SER CA C 424 59.423 59.423 60.524 -1.101 17741 5815 1 10 . 1 1 94 94 SER CB C 424 63.695 63.695 63.823 -0.128 17741 5816 1 10 . 1 1 94 94 SER H H 424 7.854 7.854 7.632 0.222 17741 5817 1 10 . 1 1 95 95 GLY N N 425 110.045 110.045 107.945 2.100 17741 5818 1 10 . 1 1 95 95 GLY C C 425 174.194 174.194 174.697 -0.503 17741 5819 1 10 . 1 1 95 95 GLY CA C 425 45.432 45.432 45.486 -0.054 17741 5820 1 10 . 1 1 95 95 GLY H H 425 8.061 8.061 7.637 0.424 17741 5821 1 10 . 1 1 96 96 ARG N N 426 119.987 119.987 120.579 -0.592 17741 5822 1 10 . 1 1 96 96 ARG HA H 426 4.475 4.475 4.331 0.144 17741 5823 1 10 . 1 1 96 96 ARG C C 426 177.308 177.308 178.255 -0.947 17741 5824 1 10 . 1 1 96 96 ARG CA C 426 56.195 56.195 57.958 -1.763 17741 5825 1 10 . 1 1 96 96 ARG CB C 426 30.354 30.354 30.458 -0.104 17741 5826 1 10 . 1 1 96 96 ARG H H 426 8.092 8.092 7.998 0.094 17741 5827 1 10 . 1 1 97 97 THR N N 427 114.398 114.398 111.350 3.048 17741 5828 1 10 . 1 1 97 97 THR HA H 427 4.298 4.298 4.364 -0.066 17741 5829 1 10 . 1 1 97 97 THR C C 427 174.913 174.913 175.608 -0.695 17741 5830 1 10 . 1 1 97 97 THR CA C 427 62.673 62.673 64.834 -2.160 17741 5831 1 10 . 1 1 97 97 THR CB C 427 69.473 69.473 68.515 0.958 17741 5832 1 10 . 1 1 97 97 THR H H 427 8.319 8.319 7.706 0.613 17741 5833 1 10 . 1 1 98 98 ASP N N 428 121.983 121.983 121.924 0.059 17741 5834 1 10 . 1 1 98 98 ASP HA H 428 4.508 4.508 4.460 0.048 17741 5835 1 10 . 1 1 98 98 ASP C C 428 176.956 176.956 177.218 -0.262 17741 5836 1 10 . 1 1 98 98 ASP CA C 428 55.433 55.433 57.582 -2.149 17741 5837 1 10 . 1 1 98 98 ASP CB C 428 40.746 40.746 40.847 -0.101 17741 5838 1 10 . 1 1 98 98 ASP H H 428 8.488 8.488 8.725 -0.237 17741 5839 1 10 . 1 1 99 99 ARG N N 429 119.821 119.821 116.826 2.995 17741 5840 1 10 . 1 1 99 99 ARG HA H 429 4.277 4.277 4.341 -0.064 17741 5841 1 10 . 1 1 99 99 ARG C C 429 177.078 177.078 179.195 -2.117 17741 5842 1 10 . 1 1 99 99 ARG CA C 429 56.984 56.984 58.206 -1.222 17741 5843 1 10 . 1 1 99 99 ARG CB C 429 30.224 30.224 30.219 0.005 17741 5844 1 10 . 1 1 99 99 ARG H H 429 8.088 8.088 7.601 0.487 17741 5845 1 10 . 1 1 100 100 LEU N N 430 120.887 120.887 122.075 -1.188 17741 5846 1 10 . 1 1 100 100 LEU HA H 430 4.176 4.176 4.176 -0.000 17741 5847 1 10 . 1 1 100 100 LEU C C 430 177.732 177.732 178.834 -1.102 17741 5848 1 10 . 1 1 100 100 LEU CA C 430 56.324 56.324 58.109 -1.785 17741 5849 1 10 . 1 1 100 100 LEU CB C 430 42.262 42.262 41.800 0.462 17741 5850 1 10 . 1 1 100 100 LEU H H 430 7.945 7.945 8.167 -0.222 17741 5851 1 10 . 1 1 101 101 GLU N N 431 119.799 119.799 116.468 3.331 17741 5852 1 10 . 1 1 101 101 GLU HA H 431 4.082 4.082 4.008 0.074 17741 5853 1 10 . 1 1 101 101 GLU C C 431 177.281 177.281 177.969 -0.688 17741 5854 1 10 . 1 1 101 101 GLU CA C 431 58.011 58.011 58.878 -0.867 17741 5855 1 10 . 1 1 101 101 GLU CB C 431 30.191 30.191 29.440 0.751 17741 5856 1 10 . 1 1 101 101 GLU H H 431 8.268 8.268 8.692 -0.424 17741 5857 1 10 . 1 1 102 102 HIS N N 432 118.048 118.048 115.335 2.713 17741 5858 1 10 . 1 1 102 102 HIS HA H 432 4.584 4.584 4.661 -0.077 17741 5859 1 10 . 1 1 102 102 HIS C C 432 175.678 175.678 177.338 -1.660 17741 5860 1 10 . 1 1 102 102 HIS CA C 432 56.571 56.571 58.802 -2.231 17741 5861 1 10 . 1 1 102 102 HIS CB C 432 29.352 29.352 31.479 -2.127 17741 5862 1 10 . 1 1 102 102 HIS H H 432 8.166 8.166 7.996 0.170 17741 5863 1 10 . 1 1 103 103 LEU N N 433 122.228 122.228 120.429 1.799 17741 5864 1 10 . 1 1 103 103 LEU HA H 433 4.176 4.176 4.826 -0.650 17741 5865 1 10 . 1 1 103 103 LEU C C 433 177.904 177.904 178.867 -0.963 17741 5866 1 10 . 1 1 103 103 LEU CA C 433 56.237 56.237 57.414 -1.177 17741 5867 1 10 . 1 1 103 103 LEU CB C 433 42.305 42.305 42.136 0.169 17741 5868 1 10 . 1 1 103 103 LEU H H 433 8.072 8.072 7.599 0.473 17741 5869 1 10 . 1 1 104 104 GLU N N 434 119.413 119.413 118.513 0.900 17741 5870 1 10 . 1 1 104 104 GLU HA H 434 4.309 4.309 4.474 -0.165 17741 5871 1 10 . 1 1 104 104 GLU C C 434 176.560 176.560 177.935 -1.375 17741 5872 1 10 . 1 1 104 104 GLU CA C 434 57.098 57.098 56.294 0.804 17741 5873 1 10 . 1 1 104 104 GLU CB C 434 30.301 30.301 28.557 1.744 17741 5874 1 10 . 1 1 104 104 GLU H H 434 8.331 8.331 8.536 -0.205 17741 5875 1 10 . 1 1 105 105 SER N N 435 115.859 115.859 114.404 1.455 17741 5876 1 10 . 1 1 105 105 SER HA H 435 4.443 4.443 4.331 0.112 17741 5877 1 10 . 1 1 105 105 SER C C 435 173.630 173.630 174.533 -0.903 17741 5878 1 10 . 1 1 105 105 SER CA C 435 58.591 58.591 59.649 -1.058 17741 5879 1 10 . 1 1 105 105 SER CB C 435 64.066 64.066 63.802 0.264 17741 5880 1 10 . 1 1 105 105 SER H H 435 7.976 7.976 7.684 0.292 17741 5881 1 11 . 1 1 5 5 ARG N N 335 123.531 123.531 120.719 2.812 17741 5882 1 11 . 1 1 5 5 ARG HA H 335 4.411 4.411 4.215 0.196 17741 5883 1 11 . 1 1 5 5 ARG C C 335 176.473 176.473 175.913 0.560 17741 5884 1 11 . 1 1 5 5 ARG CA C 335 56.571 56.571 55.900 0.671 17741 5885 1 11 . 1 1 5 5 ARG CB C 335 31.352 31.352 30.352 1.000 17741 5886 1 11 . 1 1 5 5 ARG H H 335 9.347 9.347 7.764 1.583 17741 5887 1 11 . 1 1 6 6 LEU N N 336 121.545 121.545 122.950 -1.405 17741 5888 1 11 . 1 1 6 6 LEU HA H 336 4.293 4.293 4.264 0.029 17741 5889 1 11 . 1 1 6 6 LEU C C 336 178.837 178.837 177.727 1.110 17741 5890 1 11 . 1 1 6 6 LEU CA C 336 54.652 54.652 55.009 -0.357 17741 5891 1 11 . 1 1 6 6 LEU CB C 336 43.365 43.365 41.918 1.447 17741 5892 1 11 . 1 1 6 6 LEU H H 336 8.556 8.556 8.200 0.356 17741 5893 1 11 . 1 1 7 7 LEU HA H 337 3.441 3.441 2.954 0.487 17741 5894 1 11 . 1 1 7 7 LEU C C 337 177.908 177.908 178.347 -0.439 17741 5895 1 11 . 1 1 7 7 LEU CA C 337 58.771 58.771 58.741 0.030 17741 5896 1 11 . 1 1 7 7 LEU CB C 337 40.192 40.192 41.720 -1.528 17741 5897 1 11 . 1 1 8 8 TRP N N 338 114.624 114.624 116.306 -1.682 17741 5898 1 11 . 1 1 8 8 TRP HA H 338 3.785 3.785 4.261 -0.476 17741 5899 1 11 . 1 1 8 8 TRP C C 338 175.318 175.318 177.706 -2.388 17741 5900 1 11 . 1 1 8 8 TRP CA C 338 59.891 59.891 59.766 0.125 17741 5901 1 11 . 1 1 8 8 TRP CB C 338 28.359 28.359 28.284 0.075 17741 5902 1 11 . 1 1 8 8 TRP H H 338 7.515 7.515 7.336 0.179 17741 5903 1 11 . 1 1 9 9 ASP HA H 339 3.813 3.813 4.335 -0.522 17741 5904 1 11 . 1 1 9 9 ASP C C 339 177.355 177.355 177.761 -0.406 17741 5905 1 11 . 1 1 9 9 ASP CA C 339 56.291 56.291 56.737 -0.446 17741 5906 1 11 . 1 1 9 9 ASP CB C 339 41.591 41.591 40.268 1.323 17741 5907 1 11 . 1 1 10 10 TYR N N 340 120.906 120.906 120.247 0.659 17741 5908 1 11 . 1 1 10 10 TYR HA H 340 3.897 3.897 4.046 -0.149 17741 5909 1 11 . 1 1 10 10 TYR C C 340 177.011 177.011 177.324 -0.313 17741 5910 1 11 . 1 1 10 10 TYR CA C 340 61.913 61.913 60.972 0.941 17741 5911 1 11 . 1 1 10 10 TYR CB C 340 39.482 39.482 38.787 0.695 17741 5912 1 11 . 1 1 10 10 TYR H H 340 8.005 8.005 8.018 -0.013 17741 5913 1 11 . 1 1 11 11 VAL N N 341 115.016 115.016 118.088 -3.072 17741 5914 1 11 . 1 1 11 11 VAL HA H 341 2.992 2.992 3.146 -0.154 17741 5915 1 11 . 1 1 11 11 VAL C C 341 176.751 176.751 177.037 -0.286 17741 5916 1 11 . 1 1 11 11 VAL CA C 341 66.910 66.910 66.252 0.658 17741 5917 1 11 . 1 1 11 11 VAL CB C 341 30.968 30.968 30.932 0.036 17741 5918 1 11 . 1 1 11 11 VAL H H 341 8.287 8.287 7.876 0.411 17741 5919 1 11 . 1 1 12 12 TYR N N 342 119.030 119.030 119.410 -0.380 17741 5920 1 11 . 1 1 12 12 TYR HA H 342 3.641 3.641 3.894 -0.253 17741 5921 1 11 . 1 1 12 12 TYR C C 342 178.659 178.659 178.181 0.478 17741 5922 1 11 . 1 1 12 12 TYR CA C 342 63.010 63.010 62.511 0.498 17741 5923 1 11 . 1 1 12 12 TYR CB C 342 38.212 38.212 37.476 0.736 17741 5924 1 11 . 1 1 12 12 TYR H H 342 7.673 7.673 7.850 -0.177 17741 5925 1 11 . 1 1 13 13 GLN N N 343 119.113 119.113 118.875 0.238 17741 5926 1 11 . 1 1 13 13 GLN HA H 343 3.828 3.828 4.075 -0.247 17741 5927 1 11 . 1 1 13 13 GLN C C 343 179.955 179.955 178.504 1.451 17741 5928 1 11 . 1 1 13 13 GLN CA C 343 58.871 58.871 58.424 0.447 17741 5929 1 11 . 1 1 13 13 GLN CB C 343 27.514 27.514 28.149 -0.635 17741 5930 1 11 . 1 1 13 13 GLN H H 343 8.161 8.161 7.759 0.402 17741 5931 1 11 . 1 1 14 14 LEU N N 344 121.401 121.401 118.765 2.636 17741 5932 1 11 . 1 1 14 14 LEU HA H 344 3.611 3.611 4.110 -0.499 17741 5933 1 11 . 1 1 14 14 LEU C C 344 179.789 179.789 179.100 0.689 17741 5934 1 11 . 1 1 14 14 LEU CA C 344 58.043 58.043 56.774 1.269 17741 5935 1 11 . 1 1 14 14 LEU CB C 344 41.598 41.598 40.991 0.607 17741 5936 1 11 . 1 1 14 14 LEU H H 344 7.825 7.825 7.264 0.561 17741 5937 1 11 . 1 1 15 15 LEU N N 345 116.853 116.853 117.948 -1.095 17741 5938 1 11 . 1 1 15 15 LEU HA H 345 3.504 3.504 3.776 -0.272 17741 5939 1 11 . 1 1 15 15 LEU C C 345 178.149 178.149 179.200 -1.051 17741 5940 1 11 . 1 1 15 15 LEU CA C 345 56.473 56.473 56.763 -0.290 17741 5941 1 11 . 1 1 15 15 LEU CB C 345 41.322 41.322 40.441 0.881 17741 5942 1 11 . 1 1 15 15 LEU H H 345 7.503 7.503 8.197 -0.694 17741 5943 1 11 . 1 1 16 16 SER N N 346 112.491 112.491 113.398 -0.907 17741 5944 1 11 . 1 1 16 16 SER HA H 346 4.522 4.522 4.552 -0.030 17741 5945 1 11 . 1 1 16 16 SER C C 346 172.441 172.441 175.400 -2.959 17741 5946 1 11 . 1 1 16 16 SER CA C 346 58.859 58.859 60.175 -1.315 17741 5947 1 11 . 1 1 16 16 SER CB C 346 63.987 63.987 63.955 0.032 17741 5948 1 11 . 1 1 16 16 SER H H 346 7.277 7.277 7.815 -0.538 17741 5949 1 11 . 1 1 17 17 ASP N N 347 122.161 122.161 123.705 -1.544 17741 5950 1 11 . 1 1 17 17 ASP HA H 347 4.966 4.966 4.817 0.149 17741 5951 1 11 . 1 1 17 17 ASP C C 347 175.692 175.692 176.551 -0.859 17741 5952 1 11 . 1 1 17 17 ASP CA C 347 52.805 52.805 54.716 -1.911 17741 5953 1 11 . 1 1 17 17 ASP CB C 347 43.392 43.392 42.767 0.625 17741 5954 1 11 . 1 1 17 17 ASP H H 347 7.345 7.345 8.289 -0.944 17741 5955 1 11 . 1 1 18 18 SER N N 348 120.164 120.164 122.253 -2.089 17741 5956 1 11 . 1 1 18 18 SER HA H 348 4.356 4.356 4.291 0.065 17741 5957 1 11 . 1 1 18 18 SER C C 348 176.200 176.200 175.994 0.206 17741 5958 1 11 . 1 1 18 18 SER CA C 348 61.207 61.207 60.105 1.103 17741 5959 1 11 . 1 1 18 18 SER CB C 348 63.226 63.226 63.213 0.013 17741 5960 1 11 . 1 1 18 18 SER H H 348 8.686 8.686 8.903 -0.217 17741 5961 1 11 . 1 1 19 19 ARG N N 349 122.701 122.701 120.613 2.088 17741 5962 1 11 . 1 1 19 19 ARG HA H 349 4.105 4.105 4.006 0.099 17741 5963 1 11 . 1 1 19 19 ARG C C 349 178.120 178.120 176.899 1.221 17741 5964 1 11 . 1 1 19 19 ARG CA C 349 58.604 58.604 58.143 0.461 17741 5965 1 11 . 1 1 19 19 ARG CB C 349 29.854 29.854 29.285 0.569 17741 5966 1 11 . 1 1 19 19 ARG H H 349 8.597 8.597 7.812 0.785 17741 5967 1 11 . 1 1 20 20 TYR N N 350 116.257 116.257 115.989 0.268 17741 5968 1 11 . 1 1 20 20 TYR HA H 350 4.884 4.884 4.718 0.166 17741 5969 1 11 . 1 1 20 20 TYR C C 350 176.977 176.977 175.882 1.095 17741 5970 1 11 . 1 1 20 20 TYR CA C 350 58.758 58.758 56.984 1.774 17741 5971 1 11 . 1 1 20 20 TYR CB C 350 37.602 37.602 38.087 -0.484 17741 5972 1 11 . 1 1 20 20 TYR H H 350 8.285 8.285 7.595 0.690 17741 5973 1 11 . 1 1 21 21 GLU N N 351 120.807 120.807 120.894 -0.087 17741 5974 1 11 . 1 1 21 21 GLU HA H 351 4.454 4.454 4.365 0.089 17741 5975 1 11 . 1 1 21 21 GLU C C 351 176.277 176.277 177.230 -0.953 17741 5976 1 11 . 1 1 21 21 GLU CA C 351 59.135 59.135 58.840 0.295 17741 5977 1 11 . 1 1 21 21 GLU CB C 351 29.674 29.674 29.168 0.506 17741 5978 1 11 . 1 1 21 21 GLU H H 351 7.527 7.527 7.733 -0.206 17741 5979 1 11 . 1 1 22 22 ASN N N 352 114.501 114.501 115.964 -1.463 17741 5980 1 11 . 1 1 22 22 ASN HA H 352 4.471 4.471 4.508 -0.037 17741 5981 1 11 . 1 1 22 22 ASN C C 352 174.426 174.426 175.937 -1.511 17741 5982 1 11 . 1 1 22 22 ASN CA C 352 54.002 54.002 54.421 -0.419 17741 5983 1 11 . 1 1 22 22 ASN CB C 352 36.943 36.943 38.210 -1.267 17741 5984 1 11 . 1 1 22 22 ASN H H 352 8.647 8.647 8.126 0.521 17741 5985 1 11 . 1 1 23 23 PHE N N 353 115.528 115.528 117.847 -2.319 17741 5986 1 11 . 1 1 23 23 PHE HA H 353 4.751 4.751 4.784 -0.033 17741 5987 1 11 . 1 1 23 23 PHE C C 353 176.374 176.374 175.605 0.769 17741 5988 1 11 . 1 1 23 23 PHE CA C 353 59.617 59.617 58.066 1.550 17741 5989 1 11 . 1 1 23 23 PHE CB C 353 41.431 41.431 40.869 0.562 17741 5990 1 11 . 1 1 23 23 PHE H H 353 8.578 8.578 7.771 0.807 17741 5991 1 11 . 1 1 24 24 ILE N N 354 120.520 120.520 118.234 2.286 17741 5992 1 11 . 1 1 24 24 ILE HA H 354 5.063 5.063 4.989 0.074 17741 5993 1 11 . 1 1 24 24 ILE C C 354 170.331 170.331 172.868 -2.537 17741 5994 1 11 . 1 1 24 24 ILE CA C 354 59.835 59.835 60.704 -0.869 17741 5995 1 11 . 1 1 24 24 ILE CB C 354 40.605 40.605 41.769 -1.164 17741 5996 1 11 . 1 1 24 24 ILE H H 354 8.436 8.436 8.034 0.402 17741 5997 1 11 . 1 1 25 25 ARG N N 355 121.401 121.401 120.217 1.184 17741 5998 1 11 . 1 1 25 25 ARG HA H 355 4.916 4.916 4.772 0.144 17741 5999 1 11 . 1 1 25 25 ARG C C 355 175.099 175.099 173.990 1.109 17741 6000 1 11 . 1 1 25 25 ARG CA C 355 54.461 54.461 55.011 -0.550 17741 6001 1 11 . 1 1 25 25 ARG CB C 355 33.662 33.662 33.540 0.122 17741 6002 1 11 . 1 1 25 25 ARG H H 355 8.668 8.668 8.889 -0.221 17741 6003 1 11 . 1 1 26 26 TRP N N 356 122.022 122.022 123.177 -1.155 17741 6004 1 11 . 1 1 26 26 TRP HA H 356 4.894 4.894 4.878 0.016 17741 6005 1 11 . 1 1 26 26 TRP C C 356 176.606 176.606 177.000 -0.394 17741 6006 1 11 . 1 1 26 26 TRP CA C 356 57.835 57.835 57.654 0.180 17741 6007 1 11 . 1 1 26 26 TRP CB C 356 30.564 30.564 29.569 0.995 17741 6008 1 11 . 1 1 26 26 TRP H H 356 9.149 9.149 8.924 0.225 17741 6009 1 11 . 1 1 27 27 GLU N N 357 125.415 125.415 125.183 0.232 17741 6010 1 11 . 1 1 27 27 GLU HA H 357 4.686 4.686 4.422 0.264 17741 6011 1 11 . 1 1 27 27 GLU C C 357 176.709 176.709 176.217 0.492 17741 6012 1 11 . 1 1 27 27 GLU CA C 357 56.939 56.939 58.172 -1.233 17741 6013 1 11 . 1 1 27 27 GLU CB C 357 31.545 31.545 30.945 0.600 17741 6014 1 11 . 1 1 27 27 GLU H H 357 9.524 9.524 8.767 0.757 17741 6015 1 11 . 1 1 28 28 ASP N N 358 116.214 116.214 119.189 -2.975 17741 6016 1 11 . 1 1 28 28 ASP HA H 358 4.759 4.759 4.860 -0.101 17741 6017 1 11 . 1 1 28 28 ASP C C 358 176.124 176.124 175.459 0.665 17741 6018 1 11 . 1 1 28 28 ASP CA C 358 53.481 53.481 53.723 -0.242 17741 6019 1 11 . 1 1 28 28 ASP CB C 358 41.921 41.921 42.474 -0.553 17741 6020 1 11 . 1 1 28 28 ASP H H 358 7.828 7.828 8.265 -0.437 17741 6021 1 11 . 1 1 29 29 LYS N N 359 127.750 127.750 125.341 2.409 17741 6022 1 11 . 1 1 29 29 LYS HA H 359 3.162 3.162 2.935 0.227 17741 6023 1 11 . 1 1 29 29 LYS C C 359 178.683 178.683 178.088 0.595 17741 6024 1 11 . 1 1 29 29 LYS CA C 359 60.173 60.173 59.080 1.093 17741 6025 1 11 . 1 1 29 29 LYS CB C 359 32.728 32.728 32.098 0.630 17741 6026 1 11 . 1 1 29 29 LYS H H 359 9.221 9.221 8.582 0.639 17741 6027 1 11 . 1 1 30 30 GLU N N 360 119.608 119.608 117.932 1.676 17741 6028 1 11 . 1 1 30 30 GLU HA H 360 3.923 3.923 4.002 -0.079 17741 6029 1 11 . 1 1 30 30 GLU C C 360 178.598 178.598 178.463 0.135 17741 6030 1 11 . 1 1 30 30 GLU CA C 360 59.512 59.512 58.869 0.643 17741 6031 1 11 . 1 1 30 30 GLU CB C 360 29.188 29.188 29.062 0.126 17741 6032 1 11 . 1 1 30 30 GLU H H 360 8.343 8.343 8.630 -0.287 17741 6033 1 11 . 1 1 31 31 SER N N 361 113.313 113.313 114.119 -0.806 17741 6034 1 11 . 1 1 31 31 SER HA H 361 4.485 4.485 4.431 0.054 17741 6035 1 11 . 1 1 31 31 SER C C 361 172.284 172.284 173.869 -1.585 17741 6036 1 11 . 1 1 31 31 SER CA C 361 58.745 58.745 58.750 -0.005 17741 6037 1 11 . 1 1 31 31 SER CB C 361 63.728 63.728 63.113 0.615 17741 6038 1 11 . 1 1 31 31 SER H H 361 7.466 7.466 7.884 -0.418 17741 6039 1 11 . 1 1 32 32 LYS N N 362 115.197 115.197 117.977 -2.780 17741 6040 1 11 . 1 1 32 32 LYS HA H 362 3.894 3.894 3.852 0.042 17741 6041 1 11 . 1 1 32 32 LYS C C 362 175.489 175.489 175.200 0.289 17741 6042 1 11 . 1 1 32 32 LYS CA C 362 57.641 57.641 57.528 0.113 17741 6043 1 11 . 1 1 32 32 LYS CB C 362 29.811 29.811 30.089 -0.278 17741 6044 1 11 . 1 1 32 32 LYS H H 362 7.741 7.741 7.557 0.184 17741 6045 1 11 . 1 1 33 33 ILE N N 363 118.359 118.359 119.384 -1.025 17741 6046 1 11 . 1 1 33 33 ILE HA H 363 5.356 5.356 5.023 0.333 17741 6047 1 11 . 1 1 33 33 ILE C C 363 177.019 177.019 175.598 1.421 17741 6048 1 11 . 1 1 33 33 ILE CA C 363 60.455 60.455 61.032 -0.577 17741 6049 1 11 . 1 1 33 33 ILE CB C 363 40.081 40.081 39.668 0.413 17741 6050 1 11 . 1 1 33 33 ILE H H 363 8.268 8.268 8.494 -0.226 17741 6051 1 11 . 1 1 34 34 PHE N N 364 128.287 128.287 125.835 2.452 17741 6052 1 11 . 1 1 34 34 PHE HA H 364 5.576 5.576 5.720 -0.144 17741 6053 1 11 . 1 1 34 34 PHE C C 364 170.447 170.447 172.949 -2.502 17741 6054 1 11 . 1 1 34 34 PHE CA C 364 55.128 55.128 55.429 -0.301 17741 6055 1 11 . 1 1 34 34 PHE CB C 364 44.010 44.010 42.979 1.031 17741 6056 1 11 . 1 1 34 34 PHE H H 364 9.962 9.962 9.423 0.539 17741 6057 1 11 . 1 1 35 35 ARG N N 365 120.900 120.900 122.244 -1.344 17741 6058 1 11 . 1 1 35 35 ARG HA H 365 5.486 5.486 5.215 0.271 17741 6059 1 11 . 1 1 35 35 ARG C C 365 176.462 176.462 175.575 0.887 17741 6060 1 11 . 1 1 35 35 ARG CA C 365 53.609 53.609 53.714 -0.105 17741 6061 1 11 . 1 1 35 35 ARG CB C 365 36.518 36.518 33.152 3.366 17741 6062 1 11 . 1 1 35 35 ARG H H 365 9.427 9.427 9.343 0.084 17741 6063 1 11 . 1 1 36 36 ILE N N 366 125.534 125.534 127.765 -2.231 17741 6064 1 11 . 1 1 36 36 ILE HA H 366 4.209 4.209 4.175 0.034 17741 6065 1 11 . 1 1 36 36 ILE C C 366 173.899 173.899 175.647 -1.748 17741 6066 1 11 . 1 1 36 36 ILE CA C 366 63.033 63.033 62.851 0.182 17741 6067 1 11 . 1 1 36 36 ILE CB C 366 37.889 37.889 37.785 0.104 17741 6068 1 11 . 1 1 36 36 ILE H H 366 8.643 8.643 9.082 -0.439 17741 6069 1 11 . 1 1 37 37 VAL N N 367 129.194 129.194 127.926 1.268 17741 6070 1 11 . 1 1 37 37 VAL HA H 367 3.679 3.679 3.963 -0.284 17741 6071 1 11 . 1 1 37 37 VAL C C 367 175.919 175.919 176.315 -0.396 17741 6072 1 11 . 1 1 37 37 VAL CA C 367 64.068 64.068 64.206 -0.138 17741 6073 1 11 . 1 1 37 37 VAL CB C 367 32.884 32.884 32.477 0.407 17741 6074 1 11 . 1 1 37 37 VAL H H 367 7.841 7.841 8.437 -0.596 17741 6075 1 11 . 1 1 38 38 ASP N N 368 114.969 114.969 117.603 -2.634 17741 6076 1 11 . 1 1 38 38 ASP HA H 368 5.222 5.222 5.086 0.136 17741 6077 1 11 . 1 1 38 38 ASP C C 368 173.227 173.227 174.607 -1.380 17741 6078 1 11 . 1 1 38 38 ASP CA C 368 50.238 50.238 51.123 -0.885 17741 6079 1 11 . 1 1 38 38 ASP CB C 368 42.181 42.181 42.764 -0.583 17741 6080 1 11 . 1 1 38 38 ASP H H 368 7.316 7.316 8.127 -0.811 17741 6081 1 11 . 1 1 39 39 PRO HA H 369 3.809 3.809 4.185 -0.376 17741 6082 1 11 . 1 1 39 39 PRO C C 369 177.958 177.958 178.449 -0.491 17741 6083 1 11 . 1 1 39 39 PRO CA C 369 65.612 65.612 65.098 0.514 17741 6084 1 11 . 1 1 39 39 PRO CB C 369 31.068 31.068 31.825 -0.757 17741 6085 1 11 . 1 1 40 40 ASN N N 370 115.480 115.480 117.553 -2.073 17741 6086 1 11 . 1 1 40 40 ASN HA H 370 4.604 4.604 4.509 0.095 17741 6087 1 11 . 1 1 40 40 ASN C C 370 178.566 178.566 177.777 0.789 17741 6088 1 11 . 1 1 40 40 ASN CA C 370 56.471 56.471 56.524 -0.053 17741 6089 1 11 . 1 1 40 40 ASN CB C 370 38.068 38.068 38.203 -0.135 17741 6090 1 11 . 1 1 40 40 ASN H H 370 8.094 8.094 8.092 0.002 17741 6091 1 11 . 1 1 41 41 GLY N N 371 111.371 111.371 108.059 3.312 17741 6092 1 11 . 1 1 41 41 GLY C C 371 176.018 176.018 175.505 0.513 17741 6093 1 11 . 1 1 41 41 GLY CA C 371 47.862 47.862 46.200 1.662 17741 6094 1 11 . 1 1 41 41 GLY H H 371 8.632 8.632 9.161 -0.529 17741 6095 1 11 . 1 1 42 42 LEU N N 372 122.901 122.901 122.473 0.428 17741 6096 1 11 . 1 1 42 42 LEU HA H 372 4.035 4.035 4.211 -0.176 17741 6097 1 11 . 1 1 42 42 LEU C C 372 177.704 177.704 178.635 -0.931 17741 6098 1 11 . 1 1 42 42 LEU CA C 372 57.913 57.913 56.914 0.998 17741 6099 1 11 . 1 1 42 42 LEU CB C 372 42.136 42.136 41.284 0.852 17741 6100 1 11 . 1 1 42 42 LEU H H 372 8.876 8.876 7.916 0.960 17741 6101 1 11 . 1 1 43 43 ALA N N 373 120.103 120.103 122.534 -2.431 17741 6102 1 11 . 1 1 43 43 ALA HA H 373 4.462 4.462 4.170 0.292 17741 6103 1 11 . 1 1 43 43 ALA C C 373 179.091 179.091 179.099 -0.008 17741 6104 1 11 . 1 1 43 43 ALA CA C 373 55.441 55.441 55.546 -0.105 17741 6105 1 11 . 1 1 43 43 ALA CB C 373 18.098 18.098 18.624 -0.526 17741 6106 1 11 . 1 1 43 43 ALA H H 373 8.062 8.062 8.705 -0.643 17741 6107 1 11 . 1 1 44 44 ARG N N 374 118.071 118.071 118.885 -0.814 17741 6108 1 11 . 1 1 44 44 ARG HA H 374 4.117 4.117 4.144 -0.027 17741 6109 1 11 . 1 1 44 44 ARG C C 374 179.414 179.414 178.634 0.780 17741 6110 1 11 . 1 1 44 44 ARG CA C 374 59.297 59.297 58.680 0.617 17741 6111 1 11 . 1 1 44 44 ARG CB C 374 30.069 30.069 29.681 0.388 17741 6112 1 11 . 1 1 44 44 ARG H H 374 7.725 7.725 7.760 -0.035 17741 6113 1 11 . 1 1 45 45 LEU N N 375 121.601 121.601 122.318 -0.717 17741 6114 1 11 . 1 1 45 45 LEU HA H 375 4.015 4.015 4.170 -0.155 17741 6115 1 11 . 1 1 45 45 LEU C C 375 180.087 180.087 178.686 1.401 17741 6116 1 11 . 1 1 45 45 LEU CA C 375 58.553 58.553 58.404 0.149 17741 6117 1 11 . 1 1 45 45 LEU CB C 375 41.495 41.495 41.532 -0.037 17741 6118 1 11 . 1 1 45 45 LEU H H 375 7.877 7.877 7.806 0.071 17741 6119 1 11 . 1 1 46 46 TRP N N 376 121.543 121.543 120.805 0.738 17741 6120 1 11 . 1 1 46 46 TRP HA H 376 4.333 4.333 3.890 0.443 17741 6121 1 11 . 1 1 46 46 TRP C C 376 177.572 177.572 178.399 -0.827 17741 6122 1 11 . 1 1 46 46 TRP CA C 376 59.091 59.091 59.371 -0.280 17741 6123 1 11 . 1 1 46 46 TRP CB C 376 30.305 30.305 29.616 0.689 17741 6124 1 11 . 1 1 46 46 TRP H H 376 8.615 8.615 8.738 -0.123 17741 6125 1 11 . 1 1 47 47 GLY N N 377 105.532 105.532 105.411 0.121 17741 6126 1 11 . 1 1 47 47 GLY C C 377 176.057 176.057 176.095 -0.038 17741 6127 1 11 . 1 1 47 47 GLY CA C 377 48.035 48.035 46.864 1.171 17741 6128 1 11 . 1 1 47 47 GLY H H 377 8.877 8.877 8.924 -0.047 17741 6129 1 11 . 1 1 48 48 ASN N N 378 119.996 119.996 119.207 0.789 17741 6130 1 11 . 1 1 48 48 ASN HA H 378 4.403 4.403 4.499 -0.096 17741 6131 1 11 . 1 1 48 48 ASN C C 378 178.112 178.112 176.652 1.460 17741 6132 1 11 . 1 1 48 48 ASN CA C 378 56.229 56.229 55.590 0.639 17741 6133 1 11 . 1 1 48 48 ASN CB C 378 38.272 38.272 38.348 -0.076 17741 6134 1 11 . 1 1 48 48 ASN H H 378 8.176 8.176 8.197 -0.021 17741 6135 1 11 . 1 1 49 49 HIS N N 379 121.459 121.459 118.674 2.785 17741 6136 1 11 . 1 1 49 49 HIS HA H 379 4.129 4.129 4.356 -0.227 17741 6137 1 11 . 1 1 49 49 HIS C C 379 175.858 175.858 175.959 -0.101 17741 6138 1 11 . 1 1 49 49 HIS CA C 379 59.234 59.234 58.619 0.615 17741 6139 1 11 . 1 1 49 49 HIS CB C 379 29.473 29.473 30.446 -0.973 17741 6140 1 11 . 1 1 49 49 HIS H H 379 8.138 8.138 7.826 0.312 17741 6141 1 11 . 1 1 50 50 LYS N N 380 115.130 115.130 115.885 -0.755 17741 6142 1 11 . 1 1 50 50 LYS HA H 380 3.797 3.797 4.002 -0.205 17741 6143 1 11 . 1 1 50 50 LYS C C 380 175.468 175.468 175.561 -0.093 17741 6144 1 11 . 1 1 50 50 LYS CA C 380 54.085 54.085 55.950 -1.865 17741 6145 1 11 . 1 1 50 50 LYS CB C 380 30.887 30.887 32.485 -1.598 17741 6146 1 11 . 1 1 50 50 LYS H H 380 7.552 7.552 7.682 -0.130 17741 6147 1 11 . 1 1 51 51 ASN N N 381 116.632 116.632 115.216 1.416 17741 6148 1 11 . 1 1 51 51 ASN HA H 381 4.264 4.264 4.288 -0.024 17741 6149 1 11 . 1 1 51 51 ASN C C 381 174.332 174.332 173.906 0.426 17741 6150 1 11 . 1 1 51 51 ASN CA C 381 54.189 54.189 54.117 0.072 17741 6151 1 11 . 1 1 51 51 ASN CB C 381 37.343 37.343 36.855 0.488 17741 6152 1 11 . 1 1 51 51 ASN H H 381 7.715 7.715 7.897 -0.182 17741 6153 1 11 . 1 1 52 52 ARG N N 382 117.701 117.701 118.113 -0.412 17741 6154 1 11 . 1 1 52 52 ARG HA H 382 4.583 4.583 4.628 -0.045 17741 6155 1 11 . 1 1 52 52 ARG C C 382 176.172 176.172 175.972 0.200 17741 6156 1 11 . 1 1 52 52 ARG CA C 382 54.167 54.167 54.027 0.140 17741 6157 1 11 . 1 1 52 52 ARG CB C 382 31.882 31.882 31.726 0.157 17741 6158 1 11 . 1 1 52 52 ARG H H 382 8.465 8.465 7.900 0.565 17741 6159 1 11 . 1 1 53 53 THR N N 383 114.338 114.338 117.798 -3.460 17741 6160 1 11 . 1 1 53 53 THR HA H 383 4.208 4.208 4.231 -0.023 17741 6161 1 11 . 1 1 53 53 THR C C 383 174.496 174.496 175.164 -0.668 17741 6162 1 11 . 1 1 53 53 THR CA C 383 62.345 62.345 64.217 -1.872 17741 6163 1 11 . 1 1 53 53 THR CB C 383 69.699 69.699 69.113 0.586 17741 6164 1 11 . 1 1 53 53 THR H H 383 8.274 8.274 8.469 -0.195 17741 6165 1 11 . 1 1 54 54 ASN N N 384 119.031 119.031 118.837 0.194 17741 6166 1 11 . 1 1 54 54 ASN HA H 384 4.607 4.607 4.736 -0.129 17741 6167 1 11 . 1 1 54 54 ASN C C 384 174.829 174.829 175.084 -0.255 17741 6168 1 11 . 1 1 54 54 ASN CA C 384 53.155 53.155 52.618 0.537 17741 6169 1 11 . 1 1 54 54 ASN CB C 384 37.871 37.871 38.839 -0.968 17741 6170 1 11 . 1 1 54 54 ASN H H 384 8.457 8.457 8.094 0.363 17741 6171 1 11 . 1 1 55 55 MET N N 385 119.922 119.922 119.355 0.567 17741 6172 1 11 . 1 1 55 55 MET HA H 385 4.558 4.558 4.367 0.191 17741 6173 1 11 . 1 1 55 55 MET C C 385 174.921 174.921 175.018 -0.097 17741 6174 1 11 . 1 1 55 55 MET CA C 385 55.271 55.271 57.093 -1.822 17741 6175 1 11 . 1 1 55 55 MET CB C 385 30.991 30.991 32.631 -1.640 17741 6176 1 11 . 1 1 55 55 MET H H 385 8.073 8.073 7.721 0.352 17741 6177 1 11 . 1 1 56 56 THR N N 386 113.771 113.771 112.977 0.794 17741 6178 1 11 . 1 1 56 56 THR HA H 386 4.693 4.693 4.571 0.122 17741 6179 1 11 . 1 1 56 56 THR C C 386 175.459 175.459 174.364 1.095 17741 6180 1 11 . 1 1 56 56 THR CA C 386 59.043 59.043 60.112 -1.069 17741 6181 1 11 . 1 1 56 56 THR CB C 386 72.393 72.393 71.552 0.841 17741 6182 1 11 . 1 1 56 56 THR H H 386 7.076 7.076 7.762 -0.686 17741 6183 1 11 . 1 1 57 57 TYR N N 387 123.521 123.521 121.987 1.534 17741 6184 1 11 . 1 1 57 57 TYR HA H 387 4.127 4.127 4.235 -0.108 17741 6185 1 11 . 1 1 57 57 TYR C C 387 177.432 177.432 177.093 0.339 17741 6186 1 11 . 1 1 57 57 TYR CA C 387 62.527 62.527 61.350 1.177 17741 6187 1 11 . 1 1 57 57 TYR CB C 387 37.289 37.289 38.931 -1.642 17741 6188 1 11 . 1 1 57 57 TYR H H 387 9.726 9.726 8.940 0.786 17741 6189 1 11 . 1 1 58 58 GLU N N 388 121.083 121.083 120.404 0.679 17741 6190 1 11 . 1 1 58 58 GLU HA H 388 3.825 3.825 3.873 -0.048 17741 6191 1 11 . 1 1 58 58 GLU C C 388 179.225 179.225 179.164 0.061 17741 6192 1 11 . 1 1 58 58 GLU CA C 388 60.476 60.476 59.664 0.812 17741 6193 1 11 . 1 1 58 58 GLU CB C 388 29.087 29.087 29.049 0.038 17741 6194 1 11 . 1 1 58 58 GLU H H 388 8.843 8.843 8.307 0.536 17741 6195 1 11 . 1 1 59 59 LYS N N 389 119.209 119.209 119.217 -0.008 17741 6196 1 11 . 1 1 59 59 LYS HA H 389 3.971 3.971 4.057 -0.086 17741 6197 1 11 . 1 1 59 59 LYS C C 389 179.944 179.944 178.939 1.005 17741 6198 1 11 . 1 1 59 59 LYS CA C 389 59.897 59.897 58.686 1.211 17741 6199 1 11 . 1 1 59 59 LYS CB C 389 33.359 33.359 32.160 1.199 17741 6200 1 11 . 1 1 59 59 LYS H H 389 7.605 7.605 7.589 0.016 17741 6201 1 11 . 1 1 60 60 MET N N 390 122.401 122.401 120.021 2.380 17741 6202 1 11 . 1 1 60 60 MET HA H 390 3.944 3.944 4.019 -0.075 17741 6203 1 11 . 1 1 60 60 MET C C 390 177.716 177.716 176.765 0.951 17741 6204 1 11 . 1 1 60 60 MET CA C 390 59.547 59.547 58.830 0.717 17741 6205 1 11 . 1 1 60 60 MET CB C 390 33.315 33.315 32.525 0.790 17741 6206 1 11 . 1 1 60 60 MET H H 390 8.229 8.229 7.477 0.752 17741 6207 1 11 . 1 1 61 61 SER N N 391 114.652 114.652 115.316 -0.664 17741 6208 1 11 . 1 1 61 61 SER HA H 391 3.771 3.771 3.869 -0.098 17741 6209 1 11 . 1 1 61 61 SER C C 391 176.449 176.449 176.435 0.014 17741 6210 1 11 . 1 1 61 61 SER CA C 391 61.554 61.554 61.075 0.479 17741 6211 1 11 . 1 1 61 61 SER CB C 391 62.278 62.278 62.109 0.169 17741 6212 1 11 . 1 1 61 61 SER H H 391 8.829 8.829 8.324 0.505 17741 6213 1 11 . 1 1 62 62 ARG N N 392 122.213 122.213 122.140 0.073 17741 6214 1 11 . 1 1 62 62 ARG HA H 392 3.945 3.945 3.879 0.066 17741 6215 1 11 . 1 1 62 62 ARG C C 392 178.600 178.600 177.507 1.093 17741 6216 1 11 . 1 1 62 62 ARG CA C 392 59.571 59.571 59.054 0.517 17741 6217 1 11 . 1 1 62 62 ARG CB C 392 29.914 29.914 28.573 1.341 17741 6218 1 11 . 1 1 62 62 ARG H H 392 7.413 7.413 8.139 -0.726 17741 6219 1 11 . 1 1 63 63 ALA N N 393 122.327 122.327 122.143 0.184 17741 6220 1 11 . 1 1 63 63 ALA HA H 393 4.157 4.157 3.747 0.410 17741 6221 1 11 . 1 1 63 63 ALA C C 393 180.147 180.147 178.764 1.383 17741 6222 1 11 . 1 1 63 63 ALA CA C 393 54.749 54.749 53.944 0.805 17741 6223 1 11 . 1 1 63 63 ALA CB C 393 18.529 18.529 17.684 0.845 17741 6224 1 11 . 1 1 63 63 ALA H H 393 7.256 7.256 7.656 -0.400 17741 6225 1 11 . 1 1 64 64 LEU N N 394 117.582 117.582 118.513 -0.931 17741 6226 1 11 . 1 1 64 64 LEU HA H 394 3.769 3.769 3.478 0.291 17741 6227 1 11 . 1 1 64 64 LEU C C 394 178.139 178.139 178.755 -0.616 17741 6228 1 11 . 1 1 64 64 LEU CA C 394 58.012 58.012 57.458 0.554 17741 6229 1 11 . 1 1 64 64 LEU CB C 394 41.396 41.396 41.104 0.292 17741 6230 1 11 . 1 1 64 64 LEU H H 394 7.768 7.768 7.595 0.173 17741 6231 1 11 . 1 1 65 65 ARG N N 395 116.204 116.204 116.309 -0.105 17741 6232 1 11 . 1 1 65 65 ARG HA H 395 3.445 3.445 3.262 0.183 17741 6233 1 11 . 1 1 65 65 ARG C C 395 179.423 179.423 179.392 0.031 17741 6234 1 11 . 1 1 65 65 ARG CA C 395 58.829 58.829 58.248 0.581 17741 6235 1 11 . 1 1 65 65 ARG CB C 395 29.776 29.776 29.210 0.566 17741 6236 1 11 . 1 1 65 65 ARG H H 395 7.595 7.595 8.304 -0.709 17741 6237 1 11 . 1 1 66 66 HIS N N 396 118.573 118.573 120.971 -2.398 17741 6238 1 11 . 1 1 66 66 HIS HA H 396 4.401 4.401 4.380 0.021 17741 6239 1 11 . 1 1 66 66 HIS C C 396 177.218 177.218 177.463 -0.245 17741 6240 1 11 . 1 1 66 66 HIS CA C 396 58.821 58.821 58.722 0.099 17741 6241 1 11 . 1 1 66 66 HIS CB C 396 29.753 29.753 29.712 0.041 17741 6242 1 11 . 1 1 66 66 HIS H H 396 7.362 7.362 7.409 -0.047 17741 6243 1 11 . 1 1 67 67 TYR N N 397 115.773 115.773 119.237 -3.464 17741 6244 1 11 . 1 1 67 67 TYR HA H 397 4.259 4.259 4.067 0.192 17741 6245 1 11 . 1 1 67 67 TYR C C 397 178.802 178.802 178.266 0.536 17741 6246 1 11 . 1 1 67 67 TYR CA C 397 60.329 60.329 59.782 0.547 17741 6247 1 11 . 1 1 67 67 TYR CB C 397 37.379 37.379 36.646 0.733 17741 6248 1 11 . 1 1 67 67 TYR H H 397 7.568 7.568 8.114 -0.546 17741 6249 1 11 . 1 1 68 68 TYR N N 398 121.825 121.825 118.362 3.463 17741 6250 1 11 . 1 1 68 68 TYR HA H 398 5.413 5.413 4.935 0.478 17741 6251 1 11 . 1 1 68 68 TYR C C 398 181.169 181.169 178.884 2.285 17741 6252 1 11 . 1 1 68 68 TYR CA C 398 57.775 57.775 58.995 -1.220 17741 6253 1 11 . 1 1 68 68 TYR CB C 398 36.972 36.972 37.177 -0.205 17741 6254 1 11 . 1 1 68 68 TYR H H 398 8.116 8.116 7.662 0.454 17741 6255 1 11 . 1 1 69 69 LYS N N 399 120.934 120.934 117.962 2.972 17741 6256 1 11 . 1 1 69 69 LYS HA H 399 4.127 4.127 4.161 -0.034 17741 6257 1 11 . 1 1 69 69 LYS C C 399 177.928 177.928 177.825 0.103 17741 6258 1 11 . 1 1 69 69 LYS CA C 399 58.912 58.912 59.080 -0.168 17741 6259 1 11 . 1 1 69 69 LYS CB C 399 32.188 32.188 32.087 0.101 17741 6260 1 11 . 1 1 69 69 LYS H H 399 7.771 7.771 7.808 -0.037 17741 6261 1 11 . 1 1 70 70 LEU N N 400 116.022 116.022 116.850 -0.828 17741 6262 1 11 . 1 1 70 70 LEU HA H 400 4.291 4.291 4.358 -0.067 17741 6263 1 11 . 1 1 70 70 LEU C C 400 175.827 175.827 176.343 -0.516 17741 6264 1 11 . 1 1 70 70 LEU CA C 400 54.675 54.675 54.475 0.200 17741 6265 1 11 . 1 1 70 70 LEU CB C 400 43.081 43.081 40.883 2.198 17741 6266 1 11 . 1 1 70 70 LEU H H 400 7.144 7.144 7.450 -0.306 17741 6267 1 11 . 1 1 71 71 ASN N N 401 115.201 115.201 114.220 0.981 17741 6268 1 11 . 1 1 71 71 ASN HA H 401 4.352 4.352 4.397 -0.045 17741 6269 1 11 . 1 1 71 71 ASN C C 401 173.517 173.517 174.732 -1.215 17741 6270 1 11 . 1 1 71 71 ASN CA C 401 54.602 54.602 55.043 -0.441 17741 6271 1 11 . 1 1 71 71 ASN CB C 401 37.381 37.381 37.020 0.361 17741 6272 1 11 . 1 1 71 71 ASN H H 401 8.047 8.047 7.792 0.255 17741 6273 1 11 . 1 1 72 72 ILE N N 402 113.907 113.907 115.397 -1.490 17741 6274 1 11 . 1 1 72 72 ILE HA H 402 4.059 4.059 4.062 -0.003 17741 6275 1 11 . 1 1 72 72 ILE C C 402 176.279 176.279 175.471 0.808 17741 6276 1 11 . 1 1 72 72 ILE CA C 402 63.797 63.797 62.539 1.258 17741 6277 1 11 . 1 1 72 72 ILE CB C 402 40.395 40.395 39.869 0.526 17741 6278 1 11 . 1 1 72 72 ILE H H 402 7.986 7.986 8.469 -0.483 17741 6279 1 11 . 1 1 73 73 ILE N N 403 116.766 116.766 116.040 0.726 17741 6280 1 11 . 1 1 73 73 ILE HA H 403 5.042 5.042 4.862 0.180 17741 6281 1 11 . 1 1 73 73 ILE C C 403 173.945 173.945 174.098 -0.153 17741 6282 1 11 . 1 1 73 73 ILE CA C 403 59.247 59.247 59.231 0.016 17741 6283 1 11 . 1 1 73 73 ILE CB C 403 43.414 43.414 42.593 0.821 17741 6284 1 11 . 1 1 73 73 ILE H H 403 7.042 7.042 7.389 -0.347 17741 6285 1 11 . 1 1 74 74 ARG N N 404 123.256 123.256 121.946 1.310 17741 6286 1 11 . 1 1 74 74 ARG HA H 404 4.751 4.751 4.520 0.231 17741 6287 1 11 . 1 1 74 74 ARG C C 404 174.757 174.757 173.854 0.903 17741 6288 1 11 . 1 1 74 74 ARG CA C 404 54.274 54.274 54.184 0.090 17741 6289 1 11 . 1 1 74 74 ARG CB C 404 34.492 34.492 34.574 -0.082 17741 6290 1 11 . 1 1 74 74 ARG H H 404 8.931 8.931 9.232 -0.301 17741 6291 1 11 . 1 1 75 75 LYS N N 405 125.627 125.627 121.662 3.965 17741 6292 1 11 . 1 1 75 75 LYS HA H 405 4.076 4.076 4.350 -0.274 17741 6293 1 11 . 1 1 75 75 LYS C C 405 176.481 176.481 176.223 0.258 17741 6294 1 11 . 1 1 75 75 LYS CA C 405 56.446 56.446 53.765 2.681 17741 6295 1 11 . 1 1 75 75 LYS CB C 405 32.758 32.758 33.409 -0.651 17741 6296 1 11 . 1 1 75 75 LYS H H 405 8.294 8.294 8.009 0.285 17741 6297 1 11 . 1 1 76 76 GLU N N 406 128.187 128.187 125.855 2.332 17741 6298 1 11 . 1 1 76 76 GLU HA H 406 4.447 4.447 4.496 -0.049 17741 6299 1 11 . 1 1 76 76 GLU C C 406 174.401 174.401 175.026 -0.625 17741 6300 1 11 . 1 1 76 76 GLU CA C 406 53.751 53.751 53.382 0.369 17741 6301 1 11 . 1 1 76 76 GLU CB C 406 29.951 29.951 28.140 1.811 17741 6302 1 11 . 1 1 76 76 GLU H H 406 8.016 8.016 8.111 -0.095 17741 6303 1 11 . 1 1 77 77 PRO HA H 407 4.288 4.288 4.349 -0.061 17741 6304 1 11 . 1 1 77 77 PRO C C 407 177.654 177.654 177.040 0.614 17741 6305 1 11 . 1 1 77 77 PRO CA C 407 63.433 63.433 62.911 0.522 17741 6306 1 11 . 1 1 77 77 PRO CB C 407 32.152 32.152 30.938 1.214 17741 6307 1 11 . 1 1 78 78 GLY N N 408 109.679 109.679 113.548 -3.869 17741 6308 1 11 . 1 1 78 78 GLY C C 408 173.976 173.976 174.005 -0.029 17741 6309 1 11 . 1 1 78 78 GLY CA C 408 45.539 45.539 44.918 0.621 17741 6310 1 11 . 1 1 78 78 GLY H H 408 8.514 8.514 8.457 0.057 17741 6311 1 11 . 1 1 79 79 GLN N N 409 116.897 116.897 117.789 -0.892 17741 6312 1 11 . 1 1 79 79 GLN HA H 409 4.489 4.489 4.683 -0.194 17741 6313 1 11 . 1 1 79 79 GLN C C 409 175.371 175.371 175.128 0.243 17741 6314 1 11 . 1 1 79 79 GLN CA C 409 54.472 54.472 53.758 0.714 17741 6315 1 11 . 1 1 79 79 GLN CB C 409 31.301 31.301 31.213 0.088 17741 6316 1 11 . 1 1 79 79 GLN H H 409 7.572 7.572 8.657 -1.085 17741 6317 1 11 . 1 1 80 80 ARG N N 410 120.458 120.458 119.013 1.445 17741 6318 1 11 . 1 1 80 80 ARG HA H 410 4.275 4.275 4.329 -0.054 17741 6319 1 11 . 1 1 80 80 ARG C C 410 176.227 176.227 176.844 -0.617 17741 6320 1 11 . 1 1 80 80 ARG CA C 410 56.891 56.891 57.765 -0.874 17741 6321 1 11 . 1 1 80 80 ARG CB C 410 31.475 31.475 29.914 1.561 17741 6322 1 11 . 1 1 80 80 ARG H H 410 8.254 8.254 8.626 -0.372 17741 6323 1 11 . 1 1 81 81 LEU N N 411 119.424 119.424 121.396 -1.972 17741 6324 1 11 . 1 1 81 81 LEU HA H 411 4.048 4.048 4.579 -0.531 17741 6325 1 11 . 1 1 81 81 LEU C C 411 173.277 173.277 175.257 -1.980 17741 6326 1 11 . 1 1 81 81 LEU CA C 411 55.111 55.111 53.662 1.449 17741 6327 1 11 . 1 1 81 81 LEU CB C 411 40.298 40.298 41.462 -1.165 17741 6328 1 11 . 1 1 81 81 LEU H H 411 8.467 8.467 7.978 0.489 17741 6329 1 11 . 1 1 82 82 LEU N N 412 119.126 119.126 122.008 -2.882 17741 6330 1 11 . 1 1 82 82 LEU HA H 412 5.036 5.036 4.765 0.271 17741 6331 1 11 . 1 1 82 82 LEU C C 412 175.323 175.323 174.559 0.764 17741 6332 1 11 . 1 1 82 82 LEU CA C 412 53.175 53.175 53.543 -0.368 17741 6333 1 11 . 1 1 82 82 LEU CB C 412 45.482 45.482 43.034 2.448 17741 6334 1 11 . 1 1 82 82 LEU H H 412 6.769 6.769 7.163 -0.394 17741 6335 1 11 . 1 1 83 83 PHE N N 413 122.107 122.107 123.829 -1.722 17741 6336 1 11 . 1 1 83 83 PHE HA H 413 4.848 4.848 4.950 -0.102 17741 6337 1 11 . 1 1 83 83 PHE C C 413 172.764 172.764 173.682 -0.918 17741 6338 1 11 . 1 1 83 83 PHE CA C 413 55.848 55.848 56.215 -0.367 17741 6339 1 11 . 1 1 83 83 PHE CB C 413 44.675 44.675 42.959 1.716 17741 6340 1 11 . 1 1 83 83 PHE H H 413 8.648 8.648 8.994 -0.346 17741 6341 1 11 . 1 1 84 84 ARG N N 414 119.466 119.466 121.404 -1.938 17741 6342 1 11 . 1 1 84 84 ARG HA H 414 5.578 5.578 5.303 0.275 17741 6343 1 11 . 1 1 84 84 ARG C C 414 177.476 177.476 175.080 2.396 17741 6344 1 11 . 1 1 84 84 ARG CA C 414 54.198 54.198 53.946 0.252 17741 6345 1 11 . 1 1 84 84 ARG CB C 414 36.128 36.128 34.104 2.024 17741 6346 1 11 . 1 1 84 84 ARG H H 414 9.117 9.117 8.701 0.416 17741 6347 1 11 . 1 1 85 85 PHE N N 415 124.357 124.357 127.117 -2.760 17741 6348 1 11 . 1 1 85 85 PHE HA H 415 5.037 5.037 4.887 0.150 17741 6349 1 11 . 1 1 85 85 PHE C C 415 176.084 176.084 176.551 -0.467 17741 6350 1 11 . 1 1 85 85 PHE CA C 415 59.719 59.719 59.620 0.099 17741 6351 1 11 . 1 1 85 85 PHE CB C 415 40.812 40.812 39.332 1.480 17741 6352 1 11 . 1 1 85 85 PHE H H 415 8.984 8.984 9.545 -0.561 17741 6353 1 11 . 1 1 86 86 MET N N 416 121.301 121.301 124.203 -2.902 17741 6354 1 11 . 1 1 86 86 MET HA H 416 4.670 4.670 4.226 0.444 17741 6355 1 11 . 1 1 86 86 MET C C 416 176.543 176.543 176.570 -0.027 17741 6356 1 11 . 1 1 86 86 MET CA C 416 54.863 54.863 58.183 -3.320 17741 6357 1 11 . 1 1 86 86 MET CB C 416 31.711 31.711 32.780 -1.069 17741 6358 1 11 . 1 1 86 86 MET H H 416 8.671 8.671 8.913 -0.242 17741 6359 1 11 . 1 1 87 87 LYS N N 417 117.759 117.759 116.811 0.948 17741 6360 1 11 . 1 1 87 87 LYS HA H 417 4.856 4.856 4.660 0.196 17741 6361 1 11 . 1 1 87 87 LYS C C 417 175.445 175.445 174.937 0.508 17741 6362 1 11 . 1 1 87 87 LYS CA C 417 54.550 54.550 54.912 -0.362 17741 6363 1 11 . 1 1 87 87 LYS CB C 417 37.828 37.828 36.321 1.507 17741 6364 1 11 . 1 1 87 87 LYS H H 417 7.656 7.656 7.675 -0.019 17741 6365 1 11 . 1 1 88 88 THR N N 418 112.506 112.506 110.538 1.968 17741 6366 1 11 . 1 1 88 88 THR HA H 418 4.372 4.372 4.913 -0.541 17741 6367 1 11 . 1 1 88 88 THR C C 418 173.594 173.594 173.710 -0.116 17741 6368 1 11 . 1 1 88 88 THR CA C 418 59.640 59.640 58.475 1.165 17741 6369 1 11 . 1 1 88 88 THR CB C 418 68.065 68.065 69.328 -1.263 17741 6370 1 11 . 1 1 88 88 THR H H 418 8.685 8.685 8.080 0.605 17741 6371 1 11 . 1 1 89 89 PRO HA H 419 3.748 3.748 3.909 -0.161 17741 6372 1 11 . 1 1 89 89 PRO C C 419 177.219 177.219 178.553 -1.334 17741 6373 1 11 . 1 1 89 89 PRO CA C 419 65.592 65.592 66.418 -0.826 17741 6374 1 11 . 1 1 89 89 PRO CB C 419 31.739 31.739 31.664 0.075 17741 6375 1 11 . 1 1 90 90 ASP N N 420 114.631 114.631 115.148 -0.517 17741 6376 1 11 . 1 1 90 90 ASP HA H 420 4.265 4.265 4.401 -0.136 17741 6377 1 11 . 1 1 90 90 ASP C C 420 177.962 177.962 177.882 0.080 17741 6378 1 11 . 1 1 90 90 ASP CA C 420 56.371 56.371 57.139 -0.768 17741 6379 1 11 . 1 1 90 90 ASP CB C 420 40.662 40.662 40.645 0.017 17741 6380 1 11 . 1 1 90 90 ASP H H 420 7.962 7.962 8.534 -0.572 17741 6381 1 11 . 1 1 91 91 GLU N N 421 119.501 119.501 118.208 1.293 17741 6382 1 11 . 1 1 91 91 GLU HA H 421 4.043 4.043 4.094 -0.051 17741 6383 1 11 . 1 1 91 91 GLU C C 421 178.599 178.599 178.989 -0.390 17741 6384 1 11 . 1 1 91 91 GLU CA C 421 58.113 58.113 58.617 -0.504 17741 6385 1 11 . 1 1 91 91 GLU CB C 421 30.721 30.721 29.770 0.951 17741 6386 1 11 . 1 1 91 91 GLU H H 421 7.661 7.661 7.785 -0.124 17741 6387 1 11 . 1 1 92 92 ILE N N 422 120.594 120.594 119.806 0.788 17741 6388 1 11 . 1 1 92 92 ILE HA H 422 3.641 3.641 3.620 0.021 17741 6389 1 11 . 1 1 92 92 ILE C C 422 177.752 177.752 178.001 -0.249 17741 6390 1 11 . 1 1 92 92 ILE CA C 422 62.931 62.931 64.756 -1.825 17741 6391 1 11 . 1 1 92 92 ILE CB C 422 38.185 38.185 37.802 0.383 17741 6392 1 11 . 1 1 92 92 ILE H H 422 7.861 7.861 8.092 -0.231 17741 6393 1 11 . 1 1 93 93 MET N N 423 119.187 119.187 116.253 2.934 17741 6394 1 11 . 1 1 93 93 MET HA H 423 4.391 4.391 4.387 0.004 17741 6395 1 11 . 1 1 93 93 MET C C 423 176.982 176.982 177.814 -0.832 17741 6396 1 11 . 1 1 93 93 MET CA C 423 56.491 56.491 57.922 -1.431 17741 6397 1 11 . 1 1 93 93 MET CB C 423 32.584 32.584 32.469 0.115 17741 6398 1 11 . 1 1 93 93 MET H H 423 8.158 8.158 8.437 -0.279 17741 6399 1 11 . 1 1 94 94 SER N N 424 114.933 114.933 114.472 0.461 17741 6400 1 11 . 1 1 94 94 SER HA H 424 4.394 4.394 4.387 0.007 17741 6401 1 11 . 1 1 94 94 SER C C 424 175.238 175.238 174.751 0.487 17741 6402 1 11 . 1 1 94 94 SER CA C 424 59.423 59.423 57.969 1.454 17741 6403 1 11 . 1 1 94 94 SER CB C 424 63.695 63.695 61.424 2.271 17741 6404 1 11 . 1 1 94 94 SER H H 424 7.854 7.854 7.471 0.383 17741 6405 1 11 . 1 1 95 95 GLY N N 425 110.045 110.045 109.747 0.298 17741 6406 1 11 . 1 1 95 95 GLY C C 425 174.194 174.194 175.869 -1.675 17741 6407 1 11 . 1 1 95 95 GLY CA C 425 45.432 45.432 45.334 0.098 17741 6408 1 11 . 1 1 95 95 GLY H H 425 8.061 8.061 7.979 0.082 17741 6409 1 11 . 1 1 96 96 ARG N N 426 119.987 119.987 121.918 -1.931 17741 6410 1 11 . 1 1 96 96 ARG HA H 426 4.475 4.475 4.085 0.390 17741 6411 1 11 . 1 1 96 96 ARG C C 426 177.308 177.308 176.886 0.422 17741 6412 1 11 . 1 1 96 96 ARG CA C 426 56.195 56.195 58.257 -2.062 17741 6413 1 11 . 1 1 96 96 ARG CB C 426 30.354 30.354 30.332 0.022 17741 6414 1 11 . 1 1 96 96 ARG H H 426 8.092 8.092 7.815 0.277 17741 6415 1 11 . 1 1 97 97 THR N N 427 114.398 114.398 111.492 2.906 17741 6416 1 11 . 1 1 97 97 THR HA H 427 4.298 4.298 4.695 -0.397 17741 6417 1 11 . 1 1 97 97 THR C C 427 174.913 174.913 174.659 0.254 17741 6418 1 11 . 1 1 97 97 THR CA C 427 62.673 62.673 60.596 2.077 17741 6419 1 11 . 1 1 97 97 THR CB C 427 69.473 69.473 69.095 0.378 17741 6420 1 11 . 1 1 97 97 THR H H 427 8.319 8.319 7.836 0.483 17741 6421 1 11 . 1 1 98 98 ASP N N 428 121.983 121.983 122.918 -0.935 17741 6422 1 11 . 1 1 98 98 ASP HA H 428 4.508 4.508 4.500 0.008 17741 6423 1 11 . 1 1 98 98 ASP C C 428 176.956 176.956 177.359 -0.403 17741 6424 1 11 . 1 1 98 98 ASP CA C 428 55.433 55.433 57.172 -1.740 17741 6425 1 11 . 1 1 98 98 ASP CB C 428 40.746 40.746 41.248 -0.503 17741 6426 1 11 . 1 1 98 98 ASP H H 428 8.488 8.488 7.646 0.842 17741 6427 1 11 . 1 1 99 99 ARG N N 429 119.821 119.821 117.416 2.405 17741 6428 1 11 . 1 1 99 99 ARG HA H 429 4.277 4.277 4.303 -0.026 17741 6429 1 11 . 1 1 99 99 ARG C C 429 177.078 177.078 178.741 -1.663 17741 6430 1 11 . 1 1 99 99 ARG CA C 429 56.984 56.984 58.603 -1.619 17741 6431 1 11 . 1 1 99 99 ARG CB C 429 30.224 30.224 30.376 -0.152 17741 6432 1 11 . 1 1 99 99 ARG H H 429 8.088 8.088 8.312 -0.224 17741 6433 1 11 . 1 1 100 100 LEU N N 430 120.887 120.887 121.215 -0.328 17741 6434 1 11 . 1 1 100 100 LEU HA H 430 4.176 4.176 4.163 0.013 17741 6435 1 11 . 1 1 100 100 LEU C C 430 177.732 177.732 178.517 -0.785 17741 6436 1 11 . 1 1 100 100 LEU CA C 430 56.324 56.324 58.085 -1.761 17741 6437 1 11 . 1 1 100 100 LEU CB C 430 42.262 42.262 41.844 0.418 17741 6438 1 11 . 1 1 100 100 LEU H H 430 7.945 7.945 8.077 -0.132 17741 6439 1 11 . 1 1 101 101 GLU N N 431 119.799 119.799 117.102 2.697 17741 6440 1 11 . 1 1 101 101 GLU HA H 431 4.082 4.082 3.973 0.109 17741 6441 1 11 . 1 1 101 101 GLU C C 431 177.281 177.281 178.132 -0.851 17741 6442 1 11 . 1 1 101 101 GLU CA C 431 58.011 58.011 58.926 -0.915 17741 6443 1 11 . 1 1 101 101 GLU CB C 431 30.191 30.191 29.305 0.886 17741 6444 1 11 . 1 1 101 101 GLU H H 431 8.268 8.268 7.927 0.341 17741 6445 1 11 . 1 1 102 102 HIS N N 432 118.048 118.048 115.569 2.479 17741 6446 1 11 . 1 1 102 102 HIS HA H 432 4.584 4.584 4.550 0.034 17741 6447 1 11 . 1 1 102 102 HIS C C 432 175.678 175.678 177.646 -1.968 17741 6448 1 11 . 1 1 102 102 HIS CA C 432 56.571 56.571 59.056 -2.485 17741 6449 1 11 . 1 1 102 102 HIS CB C 432 29.352 29.352 31.081 -1.729 17741 6450 1 11 . 1 1 102 102 HIS H H 432 8.166 8.166 7.950 0.216 17741 6451 1 11 . 1 1 103 103 LEU N N 433 122.228 122.228 118.755 3.473 17741 6452 1 11 . 1 1 103 103 LEU HA H 433 4.176 4.176 4.497 -0.321 17741 6453 1 11 . 1 1 103 103 LEU C C 433 177.904 177.904 178.718 -0.814 17741 6454 1 11 . 1 1 103 103 LEU CA C 433 56.237 56.237 57.467 -1.230 17741 6455 1 11 . 1 1 103 103 LEU CB C 433 42.305 42.305 42.003 0.302 17741 6456 1 11 . 1 1 103 103 LEU H H 433 8.072 8.072 7.534 0.538 17741 6457 1 11 . 1 1 104 104 GLU N N 434 119.413 119.413 118.604 0.809 17741 6458 1 11 . 1 1 104 104 GLU HA H 434 4.309 4.309 4.233 0.076 17741 6459 1 11 . 1 1 104 104 GLU C C 434 176.560 176.560 178.343 -1.783 17741 6460 1 11 . 1 1 104 104 GLU CA C 434 57.098 57.098 57.082 0.016 17741 6461 1 11 . 1 1 104 104 GLU CB C 434 30.301 30.301 28.796 1.505 17741 6462 1 11 . 1 1 104 104 GLU H H 434 8.331 8.331 8.567 -0.236 17741 6463 1 11 . 1 1 105 105 SER N N 435 115.859 115.859 114.672 1.187 17741 6464 1 11 . 1 1 105 105 SER HA H 435 4.443 4.443 4.184 0.259 17741 6465 1 11 . 1 1 105 105 SER C C 435 173.630 173.630 174.574 -0.944 17741 6466 1 11 . 1 1 105 105 SER CA C 435 58.591 58.591 59.700 -1.109 17741 6467 1 11 . 1 1 105 105 SER CB C 435 64.066 64.066 62.830 1.236 17741 6468 1 11 . 1 1 105 105 SER H H 435 7.976 7.976 7.682 0.294 17741 6469 1 12 . 1 1 5 5 ARG N N 335 123.531 123.531 125.531 -2.000 17741 6470 1 12 . 1 1 5 5 ARG HA H 335 4.411 4.411 4.476 -0.065 17741 6471 1 12 . 1 1 5 5 ARG C C 335 176.473 176.473 176.802 -0.329 17741 6472 1 12 . 1 1 5 5 ARG CA C 335 56.571 56.571 55.970 0.601 17741 6473 1 12 . 1 1 5 5 ARG CB C 335 31.352 31.352 30.409 0.943 17741 6474 1 12 . 1 1 5 5 ARG H H 335 9.347 9.347 8.795 0.552 17741 6475 1 12 . 1 1 6 6 LEU N N 336 121.545 121.545 123.455 -1.910 17741 6476 1 12 . 1 1 6 6 LEU HA H 336 4.293 4.293 4.231 0.062 17741 6477 1 12 . 1 1 6 6 LEU C C 336 178.837 178.837 177.930 0.907 17741 6478 1 12 . 1 1 6 6 LEU CA C 336 54.652 54.652 55.619 -0.967 17741 6479 1 12 . 1 1 6 6 LEU CB C 336 43.365 43.365 41.834 1.531 17741 6480 1 12 . 1 1 6 6 LEU H H 336 8.556 8.556 8.463 0.093 17741 6481 1 12 . 1 1 7 7 LEU HA H 337 3.441 3.441 2.945 0.496 17741 6482 1 12 . 1 1 7 7 LEU C C 337 177.908 177.908 178.406 -0.498 17741 6483 1 12 . 1 1 7 7 LEU CA C 337 58.771 58.771 58.220 0.551 17741 6484 1 12 . 1 1 7 7 LEU CB C 337 40.192 40.192 41.574 -1.382 17741 6485 1 12 . 1 1 8 8 TRP N N 338 114.624 114.624 117.573 -2.949 17741 6486 1 12 . 1 1 8 8 TRP HA H 338 3.785 3.785 4.295 -0.510 17741 6487 1 12 . 1 1 8 8 TRP C C 338 175.318 175.318 177.686 -2.368 17741 6488 1 12 . 1 1 8 8 TRP CA C 338 59.891 59.891 59.937 -0.046 17741 6489 1 12 . 1 1 8 8 TRP CB C 338 28.359 28.359 27.922 0.438 17741 6490 1 12 . 1 1 8 8 TRP H H 338 7.515 7.515 7.985 -0.470 17741 6491 1 12 . 1 1 9 9 ASP HA H 339 3.813 3.813 4.174 -0.361 17741 6492 1 12 . 1 1 9 9 ASP C C 339 177.355 177.355 177.938 -0.583 17741 6493 1 12 . 1 1 9 9 ASP CA C 339 56.291 56.291 56.244 0.047 17741 6494 1 12 . 1 1 9 9 ASP CB C 339 41.591 41.591 40.019 1.572 17741 6495 1 12 . 1 1 10 10 TYR N N 340 120.906 120.906 120.436 0.470 17741 6496 1 12 . 1 1 10 10 TYR HA H 340 3.897 3.897 4.093 -0.196 17741 6497 1 12 . 1 1 10 10 TYR C C 340 177.011 177.011 177.344 -0.333 17741 6498 1 12 . 1 1 10 10 TYR CA C 340 61.913 61.913 60.649 1.264 17741 6499 1 12 . 1 1 10 10 TYR CB C 340 39.482 39.482 38.743 0.739 17741 6500 1 12 . 1 1 10 10 TYR H H 340 8.005 8.005 7.912 0.093 17741 6501 1 12 . 1 1 11 11 VAL N N 341 115.016 115.016 118.392 -3.376 17741 6502 1 12 . 1 1 11 11 VAL HA H 341 2.992 2.992 3.092 -0.100 17741 6503 1 12 . 1 1 11 11 VAL C C 341 176.751 176.751 177.079 -0.328 17741 6504 1 12 . 1 1 11 11 VAL CA C 341 66.910 66.910 66.514 0.396 17741 6505 1 12 . 1 1 11 11 VAL CB C 341 30.968 30.968 30.900 0.068 17741 6506 1 12 . 1 1 11 11 VAL H H 341 8.287 8.287 8.181 0.106 17741 6507 1 12 . 1 1 12 12 TYR N N 342 119.030 119.030 119.761 -0.731 17741 6508 1 12 . 1 1 12 12 TYR HA H 342 3.641 3.641 3.845 -0.204 17741 6509 1 12 . 1 1 12 12 TYR C C 342 178.659 178.659 177.868 0.791 17741 6510 1 12 . 1 1 12 12 TYR CA C 342 63.010 63.010 62.423 0.587 17741 6511 1 12 . 1 1 12 12 TYR CB C 342 38.212 38.212 37.682 0.530 17741 6512 1 12 . 1 1 12 12 TYR H H 342 7.673 7.673 8.069 -0.396 17741 6513 1 12 . 1 1 13 13 GLN N N 343 119.113 119.113 118.567 0.546 17741 6514 1 12 . 1 1 13 13 GLN HA H 343 3.828 3.828 4.144 -0.316 17741 6515 1 12 . 1 1 13 13 GLN C C 343 179.955 179.955 177.295 2.660 17741 6516 1 12 . 1 1 13 13 GLN CA C 343 58.871 58.871 58.108 0.763 17741 6517 1 12 . 1 1 13 13 GLN CB C 343 27.514 27.514 28.151 -0.637 17741 6518 1 12 . 1 1 13 13 GLN H H 343 8.161 8.161 7.614 0.547 17741 6519 1 12 . 1 1 14 14 LEU N N 344 121.401 121.401 118.551 2.850 17741 6520 1 12 . 1 1 14 14 LEU HA H 344 3.611 3.611 3.992 -0.381 17741 6521 1 12 . 1 1 14 14 LEU C C 344 179.789 179.789 179.285 0.504 17741 6522 1 12 . 1 1 14 14 LEU CA C 344 58.043 58.043 56.628 1.415 17741 6523 1 12 . 1 1 14 14 LEU CB C 344 41.598 41.598 41.510 0.088 17741 6524 1 12 . 1 1 14 14 LEU H H 344 7.825 7.825 7.479 0.346 17741 6525 1 12 . 1 1 15 15 LEU N N 345 116.853 116.853 118.964 -2.111 17741 6526 1 12 . 1 1 15 15 LEU HA H 345 3.504 3.504 3.743 -0.239 17741 6527 1 12 . 1 1 15 15 LEU C C 345 178.149 178.149 178.637 -0.488 17741 6528 1 12 . 1 1 15 15 LEU CA C 345 56.473 56.473 56.790 -0.317 17741 6529 1 12 . 1 1 15 15 LEU CB C 345 41.322 41.322 39.989 1.333 17741 6530 1 12 . 1 1 15 15 LEU H H 345 7.503 7.503 8.461 -0.958 17741 6531 1 12 . 1 1 16 16 SER N N 346 112.491 112.491 111.211 1.280 17741 6532 1 12 . 1 1 16 16 SER HA H 346 4.522 4.522 4.635 -0.113 17741 6533 1 12 . 1 1 16 16 SER C C 346 172.441 172.441 174.059 -1.618 17741 6534 1 12 . 1 1 16 16 SER CA C 346 58.859 58.859 58.756 0.103 17741 6535 1 12 . 1 1 16 16 SER CB C 346 63.987 63.987 63.840 0.147 17741 6536 1 12 . 1 1 16 16 SER H H 346 7.277 7.277 7.451 -0.174 17741 6537 1 12 . 1 1 17 17 ASP N N 347 122.161 122.161 121.152 1.009 17741 6538 1 12 . 1 1 17 17 ASP HA H 347 4.966 4.966 4.892 0.074 17741 6539 1 12 . 1 1 17 17 ASP C C 347 175.692 175.692 176.116 -0.424 17741 6540 1 12 . 1 1 17 17 ASP CA C 347 52.805 52.805 53.158 -0.353 17741 6541 1 12 . 1 1 17 17 ASP CB C 347 43.392 43.392 42.776 0.616 17741 6542 1 12 . 1 1 17 17 ASP H H 347 7.345 7.345 7.524 -0.179 17741 6543 1 12 . 1 1 18 18 SER N N 348 120.164 120.164 123.325 -3.161 17741 6544 1 12 . 1 1 18 18 SER HA H 348 4.356 4.356 4.182 0.174 17741 6545 1 12 . 1 1 18 18 SER C C 348 176.200 176.200 176.123 0.077 17741 6546 1 12 . 1 1 18 18 SER CA C 348 61.207 61.207 60.381 0.826 17741 6547 1 12 . 1 1 18 18 SER CB C 348 63.226 63.226 63.287 -0.061 17741 6548 1 12 . 1 1 18 18 SER H H 348 8.686 8.686 9.005 -0.319 17741 6549 1 12 . 1 1 19 19 ARG N N 349 122.701 122.701 121.358 1.343 17741 6550 1 12 . 1 1 19 19 ARG HA H 349 4.105 4.105 3.985 0.120 17741 6551 1 12 . 1 1 19 19 ARG C C 349 178.120 178.120 177.215 0.905 17741 6552 1 12 . 1 1 19 19 ARG CA C 349 58.604 58.604 58.129 0.475 17741 6553 1 12 . 1 1 19 19 ARG CB C 349 29.854 29.854 29.558 0.296 17741 6554 1 12 . 1 1 19 19 ARG H H 349 8.597 8.597 8.123 0.474 17741 6555 1 12 . 1 1 20 20 TYR N N 350 116.257 116.257 116.700 -0.443 17741 6556 1 12 . 1 1 20 20 TYR HA H 350 4.884 4.884 4.676 0.208 17741 6557 1 12 . 1 1 20 20 TYR C C 350 176.977 176.977 175.351 1.626 17741 6558 1 12 . 1 1 20 20 TYR CA C 350 58.758 58.758 56.780 1.978 17741 6559 1 12 . 1 1 20 20 TYR CB C 350 37.602 37.602 38.675 -1.073 17741 6560 1 12 . 1 1 20 20 TYR H H 350 8.285 8.285 7.719 0.566 17741 6561 1 12 . 1 1 21 21 GLU N N 351 120.807 120.807 120.593 0.214 17741 6562 1 12 . 1 1 21 21 GLU HA H 351 4.454 4.454 4.451 0.003 17741 6563 1 12 . 1 1 21 21 GLU C C 351 176.277 176.277 177.411 -1.134 17741 6564 1 12 . 1 1 21 21 GLU CA C 351 59.135 59.135 58.225 0.910 17741 6565 1 12 . 1 1 21 21 GLU CB C 351 29.674 29.674 28.994 0.680 17741 6566 1 12 . 1 1 21 21 GLU H H 351 7.527 7.527 7.702 -0.175 17741 6567 1 12 . 1 1 22 22 ASN N N 352 114.501 114.501 116.370 -1.869 17741 6568 1 12 . 1 1 22 22 ASN HA H 352 4.471 4.471 4.521 -0.050 17741 6569 1 12 . 1 1 22 22 ASN C C 352 174.426 174.426 175.804 -1.378 17741 6570 1 12 . 1 1 22 22 ASN CA C 352 54.002 54.002 54.800 -0.798 17741 6571 1 12 . 1 1 22 22 ASN CB C 352 36.943 36.943 38.354 -1.411 17741 6572 1 12 . 1 1 22 22 ASN H H 352 8.647 8.647 8.122 0.525 17741 6573 1 12 . 1 1 23 23 PHE N N 353 115.528 115.528 115.701 -0.173 17741 6574 1 12 . 1 1 23 23 PHE HA H 353 4.751 4.751 4.757 -0.006 17741 6575 1 12 . 1 1 23 23 PHE C C 353 176.374 176.374 175.839 0.535 17741 6576 1 12 . 1 1 23 23 PHE CA C 353 59.617 59.617 58.107 1.510 17741 6577 1 12 . 1 1 23 23 PHE CB C 353 41.431 41.431 41.130 0.301 17741 6578 1 12 . 1 1 23 23 PHE H H 353 8.578 8.578 7.689 0.889 17741 6579 1 12 . 1 1 24 24 ILE N N 354 120.520 120.520 118.467 2.053 17741 6580 1 12 . 1 1 24 24 ILE HA H 354 5.063 5.063 5.019 0.044 17741 6581 1 12 . 1 1 24 24 ILE C C 354 170.331 170.331 172.964 -2.633 17741 6582 1 12 . 1 1 24 24 ILE CA C 354 59.835 59.835 60.617 -0.782 17741 6583 1 12 . 1 1 24 24 ILE CB C 354 40.605 40.605 41.942 -1.337 17741 6584 1 12 . 1 1 24 24 ILE H H 354 8.436 8.436 8.566 -0.130 17741 6585 1 12 . 1 1 25 25 ARG N N 355 121.401 121.401 120.885 0.516 17741 6586 1 12 . 1 1 25 25 ARG HA H 355 4.916 4.916 4.811 0.105 17741 6587 1 12 . 1 1 25 25 ARG C C 355 175.099 175.099 173.939 1.160 17741 6588 1 12 . 1 1 25 25 ARG CA C 355 54.461 54.461 55.048 -0.587 17741 6589 1 12 . 1 1 25 25 ARG CB C 355 33.662 33.662 33.715 -0.053 17741 6590 1 12 . 1 1 25 25 ARG H H 355 8.668 8.668 9.037 -0.369 17741 6591 1 12 . 1 1 26 26 TRP N N 356 122.022 122.022 123.746 -1.724 17741 6592 1 12 . 1 1 26 26 TRP HA H 356 4.894 4.894 4.895 -0.001 17741 6593 1 12 . 1 1 26 26 TRP C C 356 176.606 176.606 176.888 -0.282 17741 6594 1 12 . 1 1 26 26 TRP CA C 356 57.835 57.835 57.505 0.330 17741 6595 1 12 . 1 1 26 26 TRP CB C 356 30.564 30.564 29.544 1.020 17741 6596 1 12 . 1 1 26 26 TRP H H 356 9.149 9.149 9.001 0.148 17741 6597 1 12 . 1 1 27 27 GLU N N 357 125.415 125.415 125.527 -0.112 17741 6598 1 12 . 1 1 27 27 GLU HA H 357 4.686 4.686 4.379 0.307 17741 6599 1 12 . 1 1 27 27 GLU C C 357 176.709 176.709 176.289 0.420 17741 6600 1 12 . 1 1 27 27 GLU CA C 357 56.939 56.939 58.337 -1.398 17741 6601 1 12 . 1 1 27 27 GLU CB C 357 31.545 31.545 30.782 0.763 17741 6602 1 12 . 1 1 27 27 GLU H H 357 9.524 9.524 8.649 0.875 17741 6603 1 12 . 1 1 28 28 ASP N N 358 116.214 116.214 118.892 -2.678 17741 6604 1 12 . 1 1 28 28 ASP HA H 358 4.759 4.759 4.854 -0.095 17741 6605 1 12 . 1 1 28 28 ASP C C 358 176.124 176.124 175.513 0.611 17741 6606 1 12 . 1 1 28 28 ASP CA C 358 53.481 53.481 53.564 -0.083 17741 6607 1 12 . 1 1 28 28 ASP CB C 358 41.921 41.921 42.314 -0.393 17741 6608 1 12 . 1 1 28 28 ASP H H 358 7.828 7.828 8.289 -0.461 17741 6609 1 12 . 1 1 29 29 LYS N N 359 127.750 127.750 125.349 2.401 17741 6610 1 12 . 1 1 29 29 LYS HA H 359 3.162 3.162 2.904 0.258 17741 6611 1 12 . 1 1 29 29 LYS C C 359 178.683 178.683 177.605 1.078 17741 6612 1 12 . 1 1 29 29 LYS CA C 359 60.173 60.173 58.926 1.246 17741 6613 1 12 . 1 1 29 29 LYS CB C 359 32.728 32.728 32.036 0.692 17741 6614 1 12 . 1 1 29 29 LYS H H 359 9.221 9.221 8.546 0.675 17741 6615 1 12 . 1 1 30 30 GLU N N 360 119.608 119.608 117.778 1.830 17741 6616 1 12 . 1 1 30 30 GLU HA H 360 3.923 3.923 4.103 -0.180 17741 6617 1 12 . 1 1 30 30 GLU C C 360 178.598 178.598 178.119 0.479 17741 6618 1 12 . 1 1 30 30 GLU CA C 360 59.512 59.512 58.176 1.336 17741 6619 1 12 . 1 1 30 30 GLU CB C 360 29.188 29.188 28.869 0.319 17741 6620 1 12 . 1 1 30 30 GLU H H 360 8.343 8.343 8.415 -0.072 17741 6621 1 12 . 1 1 31 31 SER N N 361 113.313 113.313 113.178 0.135 17741 6622 1 12 . 1 1 31 31 SER HA H 361 4.485 4.485 4.424 0.061 17741 6623 1 12 . 1 1 31 31 SER C C 361 172.284 172.284 173.182 -0.898 17741 6624 1 12 . 1 1 31 31 SER CA C 361 58.745 58.745 58.831 -0.086 17741 6625 1 12 . 1 1 31 31 SER CB C 361 63.728 63.728 63.379 0.349 17741 6626 1 12 . 1 1 31 31 SER H H 361 7.466 7.466 7.827 -0.361 17741 6627 1 12 . 1 1 32 32 LYS N N 362 115.197 115.197 116.578 -1.381 17741 6628 1 12 . 1 1 32 32 LYS HA H 362 3.894 3.894 3.945 -0.051 17741 6629 1 12 . 1 1 32 32 LYS C C 362 175.489 175.489 175.282 0.207 17741 6630 1 12 . 1 1 32 32 LYS CA C 362 57.641 57.641 57.218 0.423 17741 6631 1 12 . 1 1 32 32 LYS CB C 362 29.811 29.811 29.416 0.395 17741 6632 1 12 . 1 1 32 32 LYS H H 362 7.741 7.741 7.627 0.114 17741 6633 1 12 . 1 1 33 33 ILE N N 363 118.359 118.359 119.793 -1.434 17741 6634 1 12 . 1 1 33 33 ILE HA H 363 5.356 5.356 4.997 0.359 17741 6635 1 12 . 1 1 33 33 ILE C C 363 177.019 177.019 175.692 1.327 17741 6636 1 12 . 1 1 33 33 ILE CA C 363 60.455 60.455 61.111 -0.655 17741 6637 1 12 . 1 1 33 33 ILE CB C 363 40.081 40.081 39.372 0.709 17741 6638 1 12 . 1 1 33 33 ILE H H 363 8.268 8.268 8.508 -0.240 17741 6639 1 12 . 1 1 34 34 PHE N N 364 128.287 128.287 125.782 2.505 17741 6640 1 12 . 1 1 34 34 PHE HA H 364 5.576 5.576 5.773 -0.197 17741 6641 1 12 . 1 1 34 34 PHE C C 364 170.447 170.447 172.832 -2.385 17741 6642 1 12 . 1 1 34 34 PHE CA C 364 55.128 55.128 55.370 -0.242 17741 6643 1 12 . 1 1 34 34 PHE CB C 364 44.010 44.010 43.056 0.954 17741 6644 1 12 . 1 1 34 34 PHE H H 364 9.962 9.962 9.424 0.538 17741 6645 1 12 . 1 1 35 35 ARG N N 365 120.900 120.900 121.244 -0.344 17741 6646 1 12 . 1 1 35 35 ARG HA H 365 5.486 5.486 5.337 0.149 17741 6647 1 12 . 1 1 35 35 ARG C C 365 176.462 176.462 174.940 1.522 17741 6648 1 12 . 1 1 35 35 ARG CA C 365 53.609 53.609 53.875 -0.266 17741 6649 1 12 . 1 1 35 35 ARG CB C 365 36.518 36.518 34.706 1.812 17741 6650 1 12 . 1 1 35 35 ARG H H 365 9.427 9.427 9.425 0.002 17741 6651 1 12 . 1 1 36 36 ILE N N 366 125.534 125.534 126.291 -0.757 17741 6652 1 12 . 1 1 36 36 ILE HA H 366 4.209 4.209 4.275 -0.066 17741 6653 1 12 . 1 1 36 36 ILE C C 366 173.899 173.899 175.478 -1.579 17741 6654 1 12 . 1 1 36 36 ILE CA C 366 63.033 63.033 61.928 1.105 17741 6655 1 12 . 1 1 36 36 ILE CB C 366 37.889 37.889 37.840 0.049 17741 6656 1 12 . 1 1 36 36 ILE H H 366 8.643 8.643 9.128 -0.485 17741 6657 1 12 . 1 1 37 37 VAL N N 367 129.194 129.194 127.502 1.692 17741 6658 1 12 . 1 1 37 37 VAL HA H 367 3.679 3.679 3.986 -0.307 17741 6659 1 12 . 1 1 37 37 VAL C C 367 175.919 175.919 176.324 -0.405 17741 6660 1 12 . 1 1 37 37 VAL CA C 367 64.068 64.068 64.126 -0.058 17741 6661 1 12 . 1 1 37 37 VAL CB C 367 32.884 32.884 32.206 0.678 17741 6662 1 12 . 1 1 37 37 VAL H H 367 7.841 7.841 8.416 -0.575 17741 6663 1 12 . 1 1 38 38 ASP N N 368 114.969 114.969 117.598 -2.629 17741 6664 1 12 . 1 1 38 38 ASP HA H 368 5.222 5.222 5.090 0.132 17741 6665 1 12 . 1 1 38 38 ASP C C 368 173.227 173.227 174.610 -1.383 17741 6666 1 12 . 1 1 38 38 ASP CA C 368 50.238 50.238 51.244 -1.006 17741 6667 1 12 . 1 1 38 38 ASP CB C 368 42.181 42.181 42.877 -0.696 17741 6668 1 12 . 1 1 38 38 ASP H H 368 7.316 7.316 8.152 -0.836 17741 6669 1 12 . 1 1 39 39 PRO HA H 369 3.809 3.809 4.067 -0.258 17741 6670 1 12 . 1 1 39 39 PRO C C 369 177.958 177.958 178.467 -0.509 17741 6671 1 12 . 1 1 39 39 PRO CA C 369 65.612 65.612 65.022 0.590 17741 6672 1 12 . 1 1 39 39 PRO CB C 369 31.068 31.068 31.795 -0.727 17741 6673 1 12 . 1 1 40 40 ASN N N 370 115.480 115.480 117.637 -2.157 17741 6674 1 12 . 1 1 40 40 ASN HA H 370 4.604 4.604 4.538 0.066 17741 6675 1 12 . 1 1 40 40 ASN C C 370 178.566 178.566 177.818 0.748 17741 6676 1 12 . 1 1 40 40 ASN CA C 370 56.471 56.471 56.360 0.111 17741 6677 1 12 . 1 1 40 40 ASN CB C 370 38.068 38.068 38.355 -0.287 17741 6678 1 12 . 1 1 40 40 ASN H H 370 8.094 8.094 7.970 0.124 17741 6679 1 12 . 1 1 41 41 GLY N N 371 111.371 111.371 108.286 3.085 17741 6680 1 12 . 1 1 41 41 GLY C C 371 176.018 176.018 175.613 0.405 17741 6681 1 12 . 1 1 41 41 GLY CA C 371 47.862 47.862 46.325 1.537 17741 6682 1 12 . 1 1 41 41 GLY H H 371 8.632 8.632 9.245 -0.613 17741 6683 1 12 . 1 1 42 42 LEU N N 372 122.901 122.901 122.183 0.718 17741 6684 1 12 . 1 1 42 42 LEU HA H 372 4.035 4.035 4.215 -0.180 17741 6685 1 12 . 1 1 42 42 LEU C C 372 177.704 177.704 178.535 -0.831 17741 6686 1 12 . 1 1 42 42 LEU CA C 372 57.913 57.913 56.999 0.914 17741 6687 1 12 . 1 1 42 42 LEU CB C 372 42.136 42.136 41.319 0.817 17741 6688 1 12 . 1 1 42 42 LEU H H 372 8.876 8.876 7.992 0.884 17741 6689 1 12 . 1 1 43 43 ALA N N 373 120.103 120.103 121.957 -1.854 17741 6690 1 12 . 1 1 43 43 ALA HA H 373 4.462 4.462 4.225 0.237 17741 6691 1 12 . 1 1 43 43 ALA C C 373 179.091 179.091 179.082 0.009 17741 6692 1 12 . 1 1 43 43 ALA CA C 373 55.441 55.441 55.325 0.116 17741 6693 1 12 . 1 1 43 43 ALA CB C 373 18.098 18.098 18.580 -0.482 17741 6694 1 12 . 1 1 43 43 ALA H H 373 8.062 8.062 8.520 -0.458 17741 6695 1 12 . 1 1 44 44 ARG N N 374 118.071 118.071 118.802 -0.731 17741 6696 1 12 . 1 1 44 44 ARG HA H 374 4.117 4.117 4.091 0.026 17741 6697 1 12 . 1 1 44 44 ARG C C 374 179.414 179.414 178.267 1.147 17741 6698 1 12 . 1 1 44 44 ARG CA C 374 59.297 59.297 59.009 0.288 17741 6699 1 12 . 1 1 44 44 ARG CB C 374 30.069 30.069 29.719 0.350 17741 6700 1 12 . 1 1 44 44 ARG H H 374 7.725 7.725 7.750 -0.025 17741 6701 1 12 . 1 1 45 45 LEU N N 375 121.601 121.601 121.915 -0.314 17741 6702 1 12 . 1 1 45 45 LEU HA H 375 4.015 4.015 4.207 -0.192 17741 6703 1 12 . 1 1 45 45 LEU C C 375 180.087 180.087 178.865 1.222 17741 6704 1 12 . 1 1 45 45 LEU CA C 375 58.553 58.553 58.241 0.312 17741 6705 1 12 . 1 1 45 45 LEU CB C 375 41.495 41.495 41.394 0.101 17741 6706 1 12 . 1 1 45 45 LEU H H 375 7.877 7.877 7.571 0.306 17741 6707 1 12 . 1 1 46 46 TRP N N 376 121.543 121.543 121.139 0.404 17741 6708 1 12 . 1 1 46 46 TRP HA H 376 4.333 4.333 3.908 0.425 17741 6709 1 12 . 1 1 46 46 TRP C C 376 177.572 177.572 178.362 -0.790 17741 6710 1 12 . 1 1 46 46 TRP CA C 376 59.091 59.091 59.468 -0.377 17741 6711 1 12 . 1 1 46 46 TRP CB C 376 30.305 30.305 29.603 0.702 17741 6712 1 12 . 1 1 46 46 TRP H H 376 8.615 8.615 8.725 -0.110 17741 6713 1 12 . 1 1 47 47 GLY N N 377 105.532 105.532 105.964 -0.432 17741 6714 1 12 . 1 1 47 47 GLY C C 377 176.057 176.057 176.069 -0.012 17741 6715 1 12 . 1 1 47 47 GLY CA C 377 48.035 48.035 47.145 0.890 17741 6716 1 12 . 1 1 47 47 GLY H H 377 8.877 8.877 8.842 0.035 17741 6717 1 12 . 1 1 48 48 ASN N N 378 119.996 119.996 121.094 -1.098 17741 6718 1 12 . 1 1 48 48 ASN HA H 378 4.403 4.403 4.395 0.008 17741 6719 1 12 . 1 1 48 48 ASN C C 378 178.112 178.112 177.624 0.488 17741 6720 1 12 . 1 1 48 48 ASN CA C 378 56.229 56.229 56.018 0.211 17741 6721 1 12 . 1 1 48 48 ASN CB C 378 38.272 38.272 38.224 0.048 17741 6722 1 12 . 1 1 48 48 ASN H H 378 8.176 8.176 8.244 -0.068 17741 6723 1 12 . 1 1 49 49 HIS N N 379 121.459 121.459 120.078 1.381 17741 6724 1 12 . 1 1 49 49 HIS HA H 379 4.129 4.129 4.287 -0.158 17741 6725 1 12 . 1 1 49 49 HIS C C 379 175.858 175.858 176.677 -0.819 17741 6726 1 12 . 1 1 49 49 HIS CA C 379 59.234 59.234 58.864 0.370 17741 6727 1 12 . 1 1 49 49 HIS CB C 379 29.473 29.473 29.564 -0.091 17741 6728 1 12 . 1 1 49 49 HIS H H 379 8.138 8.138 8.639 -0.501 17741 6729 1 12 . 1 1 50 50 LYS N N 380 115.130 115.130 115.779 -0.649 17741 6730 1 12 . 1 1 50 50 LYS HA H 380 3.797 3.797 3.964 -0.167 17741 6731 1 12 . 1 1 50 50 LYS C C 380 175.468 175.468 175.677 -0.209 17741 6732 1 12 . 1 1 50 50 LYS CA C 380 54.085 54.085 55.900 -1.815 17741 6733 1 12 . 1 1 50 50 LYS CB C 380 30.887 30.887 32.406 -1.519 17741 6734 1 12 . 1 1 50 50 LYS H H 380 7.552 7.552 7.625 -0.073 17741 6735 1 12 . 1 1 51 51 ASN N N 381 116.632 116.632 114.790 1.842 17741 6736 1 12 . 1 1 51 51 ASN HA H 381 4.264 4.264 4.318 -0.054 17741 6737 1 12 . 1 1 51 51 ASN C C 381 174.332 174.332 173.768 0.564 17741 6738 1 12 . 1 1 51 51 ASN CA C 381 54.189 54.189 53.918 0.271 17741 6739 1 12 . 1 1 51 51 ASN CB C 381 37.343 37.343 37.709 -0.367 17741 6740 1 12 . 1 1 51 51 ASN H H 381 7.715 7.715 7.750 -0.035 17741 6741 1 12 . 1 1 52 52 ARG N N 382 117.701 117.701 118.043 -0.342 17741 6742 1 12 . 1 1 52 52 ARG HA H 382 4.583 4.583 4.626 -0.043 17741 6743 1 12 . 1 1 52 52 ARG C C 382 176.172 176.172 176.066 0.106 17741 6744 1 12 . 1 1 52 52 ARG CA C 382 54.167 54.167 53.918 0.249 17741 6745 1 12 . 1 1 52 52 ARG CB C 382 31.882 31.882 31.677 0.205 17741 6746 1 12 . 1 1 52 52 ARG H H 382 8.465 8.465 8.314 0.151 17741 6747 1 12 . 1 1 53 53 THR N N 383 114.338 114.338 114.660 -0.322 17741 6748 1 12 . 1 1 53 53 THR HA H 383 4.208 4.208 4.281 -0.073 17741 6749 1 12 . 1 1 53 53 THR C C 383 174.496 174.496 174.956 -0.460 17741 6750 1 12 . 1 1 53 53 THR CA C 383 62.345 62.345 64.003 -1.658 17741 6751 1 12 . 1 1 53 53 THR CB C 383 69.699 69.699 69.292 0.407 17741 6752 1 12 . 1 1 53 53 THR H H 383 8.274 8.274 8.481 -0.207 17741 6753 1 12 . 1 1 54 54 ASN N N 384 119.031 119.031 121.351 -2.320 17741 6754 1 12 . 1 1 54 54 ASN HA H 384 4.607 4.607 4.823 -0.216 17741 6755 1 12 . 1 1 54 54 ASN C C 384 174.829 174.829 173.549 1.280 17741 6756 1 12 . 1 1 54 54 ASN CA C 384 53.155 53.155 52.704 0.451 17741 6757 1 12 . 1 1 54 54 ASN CB C 384 37.871 37.871 37.676 0.195 17741 6758 1 12 . 1 1 54 54 ASN H H 384 8.457 8.457 8.391 0.066 17741 6759 1 12 . 1 1 55 55 MET N N 385 119.922 119.922 120.159 -0.237 17741 6760 1 12 . 1 1 55 55 MET HA H 385 4.558 4.558 4.706 -0.148 17741 6761 1 12 . 1 1 55 55 MET C C 385 174.921 174.921 174.512 0.409 17741 6762 1 12 . 1 1 55 55 MET CA C 385 55.271 55.271 54.247 1.024 17741 6763 1 12 . 1 1 55 55 MET CB C 385 30.991 30.991 33.775 -2.784 17741 6764 1 12 . 1 1 55 55 MET H H 385 8.073 8.073 7.277 0.796 17741 6765 1 12 . 1 1 56 56 THR N N 386 113.771 113.771 117.429 -3.658 17741 6766 1 12 . 1 1 56 56 THR HA H 386 4.693 4.693 4.637 0.056 17741 6767 1 12 . 1 1 56 56 THR C C 386 175.459 175.459 174.771 0.688 17741 6768 1 12 . 1 1 56 56 THR CA C 386 59.043 59.043 59.392 -0.349 17741 6769 1 12 . 1 1 56 56 THR CB C 386 72.393 72.393 71.901 0.492 17741 6770 1 12 . 1 1 56 56 THR H H 386 7.076 7.076 8.154 -1.078 17741 6771 1 12 . 1 1 57 57 TYR N N 387 123.521 123.521 121.966 1.555 17741 6772 1 12 . 1 1 57 57 TYR HA H 387 4.127 4.127 4.243 -0.116 17741 6773 1 12 . 1 1 57 57 TYR C C 387 177.432 177.432 177.115 0.317 17741 6774 1 12 . 1 1 57 57 TYR CA C 387 62.527 62.527 61.704 0.823 17741 6775 1 12 . 1 1 57 57 TYR CB C 387 37.289 37.289 38.839 -1.550 17741 6776 1 12 . 1 1 57 57 TYR H H 387 9.726 9.726 9.095 0.631 17741 6777 1 12 . 1 1 58 58 GLU N N 388 121.083 121.083 119.457 1.626 17741 6778 1 12 . 1 1 58 58 GLU HA H 388 3.825 3.825 3.865 -0.040 17741 6779 1 12 . 1 1 58 58 GLU C C 388 179.225 179.225 178.673 0.552 17741 6780 1 12 . 1 1 58 58 GLU CA C 388 60.476 60.476 59.555 0.921 17741 6781 1 12 . 1 1 58 58 GLU CB C 388 29.087 29.087 28.857 0.230 17741 6782 1 12 . 1 1 58 58 GLU H H 388 8.843 8.843 8.174 0.669 17741 6783 1 12 . 1 1 59 59 LYS N N 389 119.209 119.209 119.031 0.178 17741 6784 1 12 . 1 1 59 59 LYS HA H 389 3.971 3.971 4.013 -0.042 17741 6785 1 12 . 1 1 59 59 LYS C C 389 179.944 179.944 179.162 0.782 17741 6786 1 12 . 1 1 59 59 LYS CA C 389 59.897 59.897 58.920 0.977 17741 6787 1 12 . 1 1 59 59 LYS CB C 389 33.359 33.359 32.173 1.185 17741 6788 1 12 . 1 1 59 59 LYS H H 389 7.605 7.605 7.430 0.175 17741 6789 1 12 . 1 1 60 60 MET N N 390 122.401 122.401 120.806 1.595 17741 6790 1 12 . 1 1 60 60 MET HA H 390 3.944 3.944 3.863 0.081 17741 6791 1 12 . 1 1 60 60 MET C C 390 177.716 177.716 177.079 0.637 17741 6792 1 12 . 1 1 60 60 MET CA C 390 59.547 59.547 59.099 0.448 17741 6793 1 12 . 1 1 60 60 MET CB C 390 33.315 33.315 32.345 0.970 17741 6794 1 12 . 1 1 60 60 MET H H 390 8.229 8.229 7.750 0.479 17741 6795 1 12 . 1 1 61 61 SER N N 391 114.652 114.652 114.491 0.161 17741 6796 1 12 . 1 1 61 61 SER HA H 391 3.771 3.771 3.698 0.073 17741 6797 1 12 . 1 1 61 61 SER C C 391 176.449 176.449 176.120 0.329 17741 6798 1 12 . 1 1 61 61 SER CA C 391 61.554 61.554 61.251 0.303 17741 6799 1 12 . 1 1 61 61 SER CB C 391 62.278 62.278 62.722 -0.445 17741 6800 1 12 . 1 1 61 61 SER H H 391 8.829 8.829 8.320 0.509 17741 6801 1 12 . 1 1 62 62 ARG N N 392 122.213 122.213 120.332 1.881 17741 6802 1 12 . 1 1 62 62 ARG HA H 392 3.945 3.945 3.899 0.046 17741 6803 1 12 . 1 1 62 62 ARG C C 392 178.600 178.600 177.597 1.003 17741 6804 1 12 . 1 1 62 62 ARG CA C 392 59.571 59.571 58.829 0.742 17741 6805 1 12 . 1 1 62 62 ARG CB C 392 29.914 29.914 28.960 0.954 17741 6806 1 12 . 1 1 62 62 ARG H H 392 7.413 7.413 7.573 -0.160 17741 6807 1 12 . 1 1 63 63 ALA N N 393 122.327 122.327 122.016 0.311 17741 6808 1 12 . 1 1 63 63 ALA HA H 393 4.157 4.157 3.850 0.307 17741 6809 1 12 . 1 1 63 63 ALA C C 393 180.147 180.147 178.971 1.176 17741 6810 1 12 . 1 1 63 63 ALA CA C 393 54.749 54.749 54.194 0.555 17741 6811 1 12 . 1 1 63 63 ALA CB C 393 18.529 18.529 17.800 0.729 17741 6812 1 12 . 1 1 63 63 ALA H H 393 7.256 7.256 7.145 0.111 17741 6813 1 12 . 1 1 64 64 LEU N N 394 117.582 117.582 118.474 -0.892 17741 6814 1 12 . 1 1 64 64 LEU HA H 394 3.769 3.769 3.362 0.407 17741 6815 1 12 . 1 1 64 64 LEU C C 394 178.139 178.139 178.750 -0.611 17741 6816 1 12 . 1 1 64 64 LEU CA C 394 58.012 58.012 57.408 0.604 17741 6817 1 12 . 1 1 64 64 LEU CB C 394 41.396 41.396 41.131 0.265 17741 6818 1 12 . 1 1 64 64 LEU H H 394 7.768 7.768 7.739 0.029 17741 6819 1 12 . 1 1 65 65 ARG N N 395 116.204 116.204 116.337 -0.133 17741 6820 1 12 . 1 1 65 65 ARG HA H 395 3.445 3.445 3.347 0.098 17741 6821 1 12 . 1 1 65 65 ARG C C 395 179.423 179.423 179.122 0.301 17741 6822 1 12 . 1 1 65 65 ARG CA C 395 58.829 58.829 58.420 0.409 17741 6823 1 12 . 1 1 65 65 ARG CB C 395 29.776 29.776 29.350 0.426 17741 6824 1 12 . 1 1 65 65 ARG H H 395 7.595 7.595 8.253 -0.658 17741 6825 1 12 . 1 1 66 66 HIS N N 396 118.573 118.573 120.564 -1.991 17741 6826 1 12 . 1 1 66 66 HIS HA H 396 4.401 4.401 4.409 -0.008 17741 6827 1 12 . 1 1 66 66 HIS C C 396 177.218 177.218 177.422 -0.204 17741 6828 1 12 . 1 1 66 66 HIS CA C 396 58.821 58.821 59.011 -0.190 17741 6829 1 12 . 1 1 66 66 HIS CB C 396 29.753 29.753 29.387 0.366 17741 6830 1 12 . 1 1 66 66 HIS H H 396 7.362 7.362 7.118 0.244 17741 6831 1 12 . 1 1 67 67 TYR N N 397 115.773 115.773 119.077 -3.304 17741 6832 1 12 . 1 1 67 67 TYR HA H 397 4.259 4.259 4.021 0.238 17741 6833 1 12 . 1 1 67 67 TYR C C 397 178.802 178.802 178.101 0.701 17741 6834 1 12 . 1 1 67 67 TYR CA C 397 60.329 60.329 59.490 0.839 17741 6835 1 12 . 1 1 67 67 TYR CB C 397 37.379 37.379 36.727 0.652 17741 6836 1 12 . 1 1 67 67 TYR H H 397 7.568 7.568 8.093 -0.525 17741 6837 1 12 . 1 1 68 68 TYR N N 398 121.825 121.825 117.572 4.253 17741 6838 1 12 . 1 1 68 68 TYR HA H 398 5.413 5.413 4.836 0.577 17741 6839 1 12 . 1 1 68 68 TYR C C 398 181.169 181.169 178.916 2.253 17741 6840 1 12 . 1 1 68 68 TYR CA C 398 57.775 57.775 59.140 -1.365 17741 6841 1 12 . 1 1 68 68 TYR CB C 398 36.972 36.972 37.109 -0.137 17741 6842 1 12 . 1 1 68 68 TYR H H 398 8.116 8.116 7.505 0.611 17741 6843 1 12 . 1 1 69 69 LYS N N 399 120.934 120.934 119.552 1.382 17741 6844 1 12 . 1 1 69 69 LYS HA H 399 4.127 4.127 4.134 -0.007 17741 6845 1 12 . 1 1 69 69 LYS C C 399 177.928 177.928 177.734 0.194 17741 6846 1 12 . 1 1 69 69 LYS CA C 399 58.912 58.912 58.965 -0.053 17741 6847 1 12 . 1 1 69 69 LYS CB C 399 32.188 32.188 32.144 0.044 17741 6848 1 12 . 1 1 69 69 LYS H H 399 7.771 7.771 7.735 0.036 17741 6849 1 12 . 1 1 70 70 LEU N N 400 116.022 116.022 116.871 -0.849 17741 6850 1 12 . 1 1 70 70 LEU HA H 400 4.291 4.291 4.346 -0.055 17741 6851 1 12 . 1 1 70 70 LEU C C 400 175.827 175.827 176.302 -0.475 17741 6852 1 12 . 1 1 70 70 LEU CA C 400 54.675 54.675 54.257 0.418 17741 6853 1 12 . 1 1 70 70 LEU CB C 400 43.081 43.081 40.651 2.430 17741 6854 1 12 . 1 1 70 70 LEU H H 400 7.144 7.144 7.465 -0.321 17741 6855 1 12 . 1 1 71 71 ASN N N 401 115.201 115.201 113.967 1.234 17741 6856 1 12 . 1 1 71 71 ASN HA H 401 4.352 4.352 4.374 -0.022 17741 6857 1 12 . 1 1 71 71 ASN C C 401 173.517 173.517 174.508 -0.991 17741 6858 1 12 . 1 1 71 71 ASN CA C 401 54.602 54.602 54.570 0.032 17741 6859 1 12 . 1 1 71 71 ASN CB C 401 37.381 37.381 37.148 0.233 17741 6860 1 12 . 1 1 71 71 ASN H H 401 8.047 8.047 7.678 0.369 17741 6861 1 12 . 1 1 72 72 ILE N N 402 113.907 113.907 116.097 -2.190 17741 6862 1 12 . 1 1 72 72 ILE HA H 402 4.059 4.059 4.025 0.034 17741 6863 1 12 . 1 1 72 72 ILE C C 402 176.279 176.279 175.382 0.897 17741 6864 1 12 . 1 1 72 72 ILE CA C 402 63.797 63.797 62.602 1.195 17741 6865 1 12 . 1 1 72 72 ILE CB C 402 40.395 40.395 40.099 0.296 17741 6866 1 12 . 1 1 72 72 ILE H H 402 7.986 7.986 8.299 -0.313 17741 6867 1 12 . 1 1 73 73 ILE N N 403 116.766 116.766 115.388 1.378 17741 6868 1 12 . 1 1 73 73 ILE HA H 403 5.042 5.042 4.646 0.396 17741 6869 1 12 . 1 1 73 73 ILE C C 403 173.945 173.945 174.456 -0.511 17741 6870 1 12 . 1 1 73 73 ILE CA C 403 59.247 59.247 59.291 -0.044 17741 6871 1 12 . 1 1 73 73 ILE CB C 403 43.414 43.414 41.945 1.469 17741 6872 1 12 . 1 1 73 73 ILE H H 403 7.042 7.042 7.104 -0.062 17741 6873 1 12 . 1 1 74 74 ARG N N 404 123.256 123.256 120.436 2.820 17741 6874 1 12 . 1 1 74 74 ARG HA H 404 4.751 4.751 4.511 0.239 17741 6875 1 12 . 1 1 74 74 ARG C C 404 174.757 174.757 173.690 1.067 17741 6876 1 12 . 1 1 74 74 ARG CA C 404 54.274 54.274 54.640 -0.366 17741 6877 1 12 . 1 1 74 74 ARG CB C 404 34.492 34.492 33.568 0.924 17741 6878 1 12 . 1 1 74 74 ARG H H 404 8.931 8.931 9.217 -0.286 17741 6879 1 12 . 1 1 75 75 LYS N N 405 125.627 125.627 121.483 4.144 17741 6880 1 12 . 1 1 75 75 LYS HA H 405 4.076 4.076 4.422 -0.346 17741 6881 1 12 . 1 1 75 75 LYS C C 405 176.481 176.481 176.052 0.429 17741 6882 1 12 . 1 1 75 75 LYS CA C 405 56.446 56.446 53.953 2.493 17741 6883 1 12 . 1 1 75 75 LYS CB C 405 32.758 32.758 33.607 -0.849 17741 6884 1 12 . 1 1 75 75 LYS H H 405 8.294 8.294 8.133 0.161 17741 6885 1 12 . 1 1 76 76 GLU N N 406 128.187 128.187 125.943 2.244 17741 6886 1 12 . 1 1 76 76 GLU HA H 406 4.447 4.447 4.516 -0.069 17741 6887 1 12 . 1 1 76 76 GLU C C 406 174.401 174.401 175.010 -0.609 17741 6888 1 12 . 1 1 76 76 GLU CA C 406 53.751 53.751 53.306 0.445 17741 6889 1 12 . 1 1 76 76 GLU CB C 406 29.951 29.951 28.161 1.790 17741 6890 1 12 . 1 1 76 76 GLU H H 406 8.016 8.016 8.122 -0.106 17741 6891 1 12 . 1 1 77 77 PRO HA H 407 4.288 4.288 4.355 -0.067 17741 6892 1 12 . 1 1 77 77 PRO C C 407 177.654 177.654 176.932 0.722 17741 6893 1 12 . 1 1 77 77 PRO CA C 407 63.433 63.433 62.992 0.441 17741 6894 1 12 . 1 1 77 77 PRO CB C 407 32.152 32.152 31.018 1.134 17741 6895 1 12 . 1 1 78 78 GLY N N 408 109.679 109.679 113.678 -3.999 17741 6896 1 12 . 1 1 78 78 GLY C C 408 173.976 173.976 174.392 -0.416 17741 6897 1 12 . 1 1 78 78 GLY CA C 408 45.539 45.539 44.851 0.688 17741 6898 1 12 . 1 1 78 78 GLY H H 408 8.514 8.514 8.428 0.086 17741 6899 1 12 . 1 1 79 79 GLN N N 409 116.897 116.897 119.423 -2.526 17741 6900 1 12 . 1 1 79 79 GLN HA H 409 4.489 4.489 4.651 -0.162 17741 6901 1 12 . 1 1 79 79 GLN C C 409 175.371 175.371 175.376 -0.005 17741 6902 1 12 . 1 1 79 79 GLN CA C 409 54.472 54.472 54.115 0.357 17741 6903 1 12 . 1 1 79 79 GLN CB C 409 31.301 31.301 30.326 0.975 17741 6904 1 12 . 1 1 79 79 GLN H H 409 7.572 7.572 8.784 -1.212 17741 6905 1 12 . 1 1 80 80 ARG N N 410 120.458 120.458 119.151 1.307 17741 6906 1 12 . 1 1 80 80 ARG HA H 410 4.275 4.275 4.294 -0.019 17741 6907 1 12 . 1 1 80 80 ARG C C 410 176.227 176.227 177.089 -0.862 17741 6908 1 12 . 1 1 80 80 ARG CA C 410 56.891 56.891 57.685 -0.794 17741 6909 1 12 . 1 1 80 80 ARG CB C 410 31.475 31.475 29.880 1.595 17741 6910 1 12 . 1 1 80 80 ARG H H 410 8.254 8.254 8.628 -0.374 17741 6911 1 12 . 1 1 81 81 LEU N N 411 119.424 119.424 121.531 -2.107 17741 6912 1 12 . 1 1 81 81 LEU HA H 411 4.048 4.048 4.568 -0.520 17741 6913 1 12 . 1 1 81 81 LEU C C 411 173.277 173.277 175.465 -2.188 17741 6914 1 12 . 1 1 81 81 LEU CA C 411 55.111 55.111 53.687 1.424 17741 6915 1 12 . 1 1 81 81 LEU CB C 411 40.298 40.298 41.280 -0.982 17741 6916 1 12 . 1 1 81 81 LEU H H 411 8.467 8.467 8.003 0.464 17741 6917 1 12 . 1 1 82 82 LEU N N 412 119.126 119.126 121.759 -2.633 17741 6918 1 12 . 1 1 82 82 LEU HA H 412 5.036 5.036 4.667 0.369 17741 6919 1 12 . 1 1 82 82 LEU C C 412 175.323 175.323 174.611 0.712 17741 6920 1 12 . 1 1 82 82 LEU CA C 412 53.175 53.175 53.662 -0.487 17741 6921 1 12 . 1 1 82 82 LEU CB C 412 45.482 45.482 43.133 2.349 17741 6922 1 12 . 1 1 82 82 LEU H H 412 6.769 6.769 7.158 -0.389 17741 6923 1 12 . 1 1 83 83 PHE N N 413 122.107 122.107 123.422 -1.315 17741 6924 1 12 . 1 1 83 83 PHE HA H 413 4.848 4.848 4.864 -0.016 17741 6925 1 12 . 1 1 83 83 PHE C C 413 172.764 172.764 173.482 -0.718 17741 6926 1 12 . 1 1 83 83 PHE CA C 413 55.848 55.848 56.237 -0.389 17741 6927 1 12 . 1 1 83 83 PHE CB C 413 44.675 44.675 43.001 1.675 17741 6928 1 12 . 1 1 83 83 PHE H H 413 8.648 8.648 9.039 -0.391 17741 6929 1 12 . 1 1 84 84 ARG N N 414 119.466 119.466 121.874 -2.408 17741 6930 1 12 . 1 1 84 84 ARG HA H 414 5.578 5.578 5.209 0.369 17741 6931 1 12 . 1 1 84 84 ARG C C 414 177.476 177.476 175.167 2.309 17741 6932 1 12 . 1 1 84 84 ARG CA C 414 54.198 54.198 54.211 -0.013 17741 6933 1 12 . 1 1 84 84 ARG CB C 414 36.128 36.128 33.326 2.802 17741 6934 1 12 . 1 1 84 84 ARG H H 414 9.117 9.117 8.885 0.232 17741 6935 1 12 . 1 1 85 85 PHE N N 415 124.357 124.357 128.303 -3.946 17741 6936 1 12 . 1 1 85 85 PHE HA H 415 5.037 5.037 4.790 0.247 17741 6937 1 12 . 1 1 85 85 PHE C C 415 176.084 176.084 176.264 -0.180 17741 6938 1 12 . 1 1 85 85 PHE CA C 415 59.719 59.719 59.754 -0.035 17741 6939 1 12 . 1 1 85 85 PHE CB C 415 40.812 40.812 39.356 1.456 17741 6940 1 12 . 1 1 85 85 PHE H H 415 8.984 8.984 9.624 -0.640 17741 6941 1 12 . 1 1 86 86 MET N N 416 121.301 121.301 124.223 -2.922 17741 6942 1 12 . 1 1 86 86 MET HA H 416 4.670 4.670 4.264 0.406 17741 6943 1 12 . 1 1 86 86 MET C C 416 176.543 176.543 176.262 0.281 17741 6944 1 12 . 1 1 86 86 MET CA C 416 54.863 54.863 57.404 -2.541 17741 6945 1 12 . 1 1 86 86 MET CB C 416 31.711 31.711 32.573 -0.862 17741 6946 1 12 . 1 1 86 86 MET H H 416 8.671 8.671 8.799 -0.128 17741 6947 1 12 . 1 1 87 87 LYS N N 417 117.759 117.759 116.784 0.975 17741 6948 1 12 . 1 1 87 87 LYS HA H 417 4.856 4.856 4.645 0.211 17741 6949 1 12 . 1 1 87 87 LYS C C 417 175.445 175.445 174.905 0.540 17741 6950 1 12 . 1 1 87 87 LYS CA C 417 54.550 54.550 55.060 -0.510 17741 6951 1 12 . 1 1 87 87 LYS CB C 417 37.828 37.828 36.153 1.675 17741 6952 1 12 . 1 1 87 87 LYS H H 417 7.656 7.656 7.674 -0.018 17741 6953 1 12 . 1 1 88 88 THR N N 418 112.506 112.506 113.078 -0.572 17741 6954 1 12 . 1 1 88 88 THR HA H 418 4.372 4.372 5.115 -0.743 17741 6955 1 12 . 1 1 88 88 THR C C 418 173.594 173.594 174.085 -0.491 17741 6956 1 12 . 1 1 88 88 THR CA C 418 59.640 59.640 58.398 1.242 17741 6957 1 12 . 1 1 88 88 THR CB C 418 68.065 68.065 69.251 -1.187 17741 6958 1 12 . 1 1 88 88 THR H H 418 8.685 8.685 8.739 -0.054 17741 6959 1 12 . 1 1 89 89 PRO HA H 419 3.748 3.748 3.849 -0.102 17741 6960 1 12 . 1 1 89 89 PRO C C 419 177.219 177.219 178.415 -1.196 17741 6961 1 12 . 1 1 89 89 PRO CA C 419 65.592 65.592 66.400 -0.808 17741 6962 1 12 . 1 1 89 89 PRO CB C 419 31.739 31.739 31.592 0.147 17741 6963 1 12 . 1 1 90 90 ASP N N 420 114.631 114.631 115.078 -0.447 17741 6964 1 12 . 1 1 90 90 ASP HA H 420 4.265 4.265 4.309 -0.044 17741 6965 1 12 . 1 1 90 90 ASP C C 420 177.962 177.962 178.214 -0.252 17741 6966 1 12 . 1 1 90 90 ASP CA C 420 56.371 56.371 57.401 -1.030 17741 6967 1 12 . 1 1 90 90 ASP CB C 420 40.662 40.662 40.644 0.018 17741 6968 1 12 . 1 1 90 90 ASP H H 420 7.962 7.962 8.656 -0.694 17741 6969 1 12 . 1 1 91 91 GLU N N 421 119.501 119.501 119.021 0.480 17741 6970 1 12 . 1 1 91 91 GLU HA H 421 4.043 4.043 4.135 -0.092 17741 6971 1 12 . 1 1 91 91 GLU C C 421 178.599 178.599 179.155 -0.556 17741 6972 1 12 . 1 1 91 91 GLU CA C 421 58.113 58.113 58.495 -0.382 17741 6973 1 12 . 1 1 91 91 GLU CB C 421 30.721 30.721 29.785 0.936 17741 6974 1 12 . 1 1 91 91 GLU H H 421 7.661 7.661 7.671 -0.010 17741 6975 1 12 . 1 1 92 92 ILE N N 422 120.594 120.594 120.410 0.184 17741 6976 1 12 . 1 1 92 92 ILE HA H 422 3.641 3.641 3.646 -0.005 17741 6977 1 12 . 1 1 92 92 ILE C C 422 177.752 177.752 177.922 -0.170 17741 6978 1 12 . 1 1 92 92 ILE CA C 422 62.931 62.931 64.849 -1.918 17741 6979 1 12 . 1 1 92 92 ILE CB C 422 38.185 38.185 37.932 0.253 17741 6980 1 12 . 1 1 92 92 ILE H H 422 7.861 7.861 8.064 -0.203 17741 6981 1 12 . 1 1 93 93 MET N N 423 119.187 119.187 116.943 2.244 17741 6982 1 12 . 1 1 93 93 MET HA H 423 4.391 4.391 4.303 0.088 17741 6983 1 12 . 1 1 93 93 MET C C 423 176.982 176.982 177.844 -0.862 17741 6984 1 12 . 1 1 93 93 MET CA C 423 56.491 56.491 58.567 -2.076 17741 6985 1 12 . 1 1 93 93 MET CB C 423 32.584 32.584 32.618 -0.034 17741 6986 1 12 . 1 1 93 93 MET H H 423 8.158 8.158 8.474 -0.316 17741 6987 1 12 . 1 1 94 94 SER N N 424 114.933 114.933 112.451 2.482 17741 6988 1 12 . 1 1 94 94 SER HA H 424 4.394 4.394 4.408 -0.014 17741 6989 1 12 . 1 1 94 94 SER C C 424 175.238 175.238 174.681 0.557 17741 6990 1 12 . 1 1 94 94 SER CA C 424 59.423 59.423 58.495 0.928 17741 6991 1 12 . 1 1 94 94 SER CB C 424 63.695 63.695 61.722 1.973 17741 6992 1 12 . 1 1 94 94 SER H H 424 7.854 7.854 7.938 -0.084 17741 6993 1 12 . 1 1 95 95 GLY N N 425 110.045 110.045 110.718 -0.673 17741 6994 1 12 . 1 1 95 95 GLY C C 425 174.194 174.194 175.913 -1.719 17741 6995 1 12 . 1 1 95 95 GLY CA C 425 45.432 45.432 45.600 -0.168 17741 6996 1 12 . 1 1 95 95 GLY H H 425 8.061 8.061 8.206 -0.145 17741 6997 1 12 . 1 1 96 96 ARG N N 426 119.987 119.987 122.221 -2.234 17741 6998 1 12 . 1 1 96 96 ARG HA H 426 4.475 4.475 4.153 0.322 17741 6999 1 12 . 1 1 96 96 ARG C C 426 177.308 177.308 177.285 0.023 17741 7000 1 12 . 1 1 96 96 ARG CA C 426 56.195 56.195 58.459 -2.264 17741 7001 1 12 . 1 1 96 96 ARG CB C 426 30.354 30.354 30.267 0.087 17741 7002 1 12 . 1 1 96 96 ARG H H 426 8.092 8.092 8.029 0.063 17741 7003 1 12 . 1 1 97 97 THR N N 427 114.398 114.398 111.044 3.354 17741 7004 1 12 . 1 1 97 97 THR HA H 427 4.298 4.298 4.640 -0.342 17741 7005 1 12 . 1 1 97 97 THR C C 427 174.913 174.913 174.318 0.595 17741 7006 1 12 . 1 1 97 97 THR CA C 427 62.673 62.673 61.092 1.581 17741 7007 1 12 . 1 1 97 97 THR CB C 427 69.473 69.473 69.476 -0.003 17741 7008 1 12 . 1 1 97 97 THR H H 427 8.319 8.319 7.617 0.702 17741 7009 1 12 . 1 1 98 98 ASP N N 428 121.983 121.983 123.044 -1.061 17741 7010 1 12 . 1 1 98 98 ASP HA H 428 4.508 4.508 4.776 -0.268 17741 7011 1 12 . 1 1 98 98 ASP C C 428 176.956 176.956 177.432 -0.476 17741 7012 1 12 . 1 1 98 98 ASP CA C 428 55.433 55.433 57.075 -1.642 17741 7013 1 12 . 1 1 98 98 ASP CB C 428 40.746 40.746 41.278 -0.532 17741 7014 1 12 . 1 1 98 98 ASP H H 428 8.488 8.488 7.642 0.846 17741 7015 1 12 . 1 1 99 99 ARG N N 429 119.821 119.821 116.995 2.826 17741 7016 1 12 . 1 1 99 99 ARG HA H 429 4.277 4.277 4.356 -0.079 17741 7017 1 12 . 1 1 99 99 ARG C C 429 177.078 177.078 178.654 -1.576 17741 7018 1 12 . 1 1 99 99 ARG CA C 429 56.984 56.984 58.364 -1.380 17741 7019 1 12 . 1 1 99 99 ARG CB C 429 30.224 30.224 30.388 -0.164 17741 7020 1 12 . 1 1 99 99 ARG H H 429 8.088 8.088 7.649 0.439 17741 7021 1 12 . 1 1 100 100 LEU N N 430 120.887 120.887 121.947 -1.060 17741 7022 1 12 . 1 1 100 100 LEU HA H 430 4.176 4.176 4.324 -0.148 17741 7023 1 12 . 1 1 100 100 LEU C C 430 177.732 177.732 177.911 -0.179 17741 7024 1 12 . 1 1 100 100 LEU CA C 430 56.324 56.324 57.243 -0.919 17741 7025 1 12 . 1 1 100 100 LEU CB C 430 42.262 42.262 41.936 0.326 17741 7026 1 12 . 1 1 100 100 LEU H H 430 7.945 7.945 8.006 -0.061 17741 7027 1 12 . 1 1 101 101 GLU N N 431 119.799 119.799 116.673 3.126 17741 7028 1 12 . 1 1 101 101 GLU HA H 431 4.082 4.082 3.996 0.086 17741 7029 1 12 . 1 1 101 101 GLU C C 431 177.281 177.281 177.246 0.035 17741 7030 1 12 . 1 1 101 101 GLU CA C 431 58.011 58.011 58.915 -0.904 17741 7031 1 12 . 1 1 101 101 GLU CB C 431 30.191 30.191 29.318 0.873 17741 7032 1 12 . 1 1 101 101 GLU H H 431 8.268 8.268 8.029 0.239 17741 7033 1 12 . 1 1 102 102 HIS N N 432 118.048 118.048 114.850 3.198 17741 7034 1 12 . 1 1 102 102 HIS HA H 432 4.584 4.584 4.534 0.050 17741 7035 1 12 . 1 1 102 102 HIS C C 432 175.678 175.678 178.164 -2.486 17741 7036 1 12 . 1 1 102 102 HIS CA C 432 56.571 56.571 58.304 -1.733 17741 7037 1 12 . 1 1 102 102 HIS CB C 432 29.352 29.352 30.755 -1.403 17741 7038 1 12 . 1 1 102 102 HIS H H 432 8.166 8.166 7.728 0.438 17741 7039 1 12 . 1 1 103 103 LEU N N 433 122.228 122.228 119.392 2.836 17741 7040 1 12 . 1 1 103 103 LEU HA H 433 4.176 4.176 4.381 -0.205 17741 7041 1 12 . 1 1 103 103 LEU C C 433 177.904 177.904 178.493 -0.589 17741 7042 1 12 . 1 1 103 103 LEU CA C 433 56.237 56.237 57.651 -1.414 17741 7043 1 12 . 1 1 103 103 LEU CB C 433 42.305 42.305 41.711 0.594 17741 7044 1 12 . 1 1 103 103 LEU H H 433 8.072 8.072 7.622 0.450 17741 7045 1 12 . 1 1 104 104 GLU N N 434 119.413 119.413 118.083 1.330 17741 7046 1 12 . 1 1 104 104 GLU HA H 434 4.309 4.309 4.139 0.170 17741 7047 1 12 . 1 1 104 104 GLU C C 434 176.560 176.560 177.386 -0.826 17741 7048 1 12 . 1 1 104 104 GLU CA C 434 57.098 57.098 57.729 -0.631 17741 7049 1 12 . 1 1 104 104 GLU CB C 434 30.301 30.301 29.184 1.117 17741 7050 1 12 . 1 1 104 104 GLU H H 434 8.331 8.331 8.144 0.187 17741 7051 1 12 . 1 1 105 105 SER N N 435 115.859 115.859 115.016 0.843 17741 7052 1 12 . 1 1 105 105 SER HA H 435 4.443 4.443 4.150 0.293 17741 7053 1 12 . 1 1 105 105 SER C C 435 173.630 173.630 174.867 -1.237 17741 7054 1 12 . 1 1 105 105 SER CA C 435 58.591 58.591 60.902 -2.311 17741 7055 1 12 . 1 1 105 105 SER CB C 435 64.066 64.066 63.235 0.831 17741 7056 1 12 . 1 1 105 105 SER H H 435 7.976 7.976 7.485 0.491 17741 7057 1 13 . 1 1 5 5 ARG N N 335 123.531 123.531 122.094 1.437 17741 7058 1 13 . 1 1 5 5 ARG HA H 335 4.411 4.411 4.403 0.008 17741 7059 1 13 . 1 1 5 5 ARG C C 335 176.473 176.473 175.277 1.196 17741 7060 1 13 . 1 1 5 5 ARG CA C 335 56.571 56.571 55.004 1.567 17741 7061 1 13 . 1 1 5 5 ARG CB C 335 31.352 31.352 29.713 1.639 17741 7062 1 13 . 1 1 5 5 ARG H H 335 9.347 9.347 8.304 1.043 17741 7063 1 13 . 1 1 6 6 LEU N N 336 121.545 121.545 122.228 -0.683 17741 7064 1 13 . 1 1 6 6 LEU HA H 336 4.293 4.293 4.708 -0.415 17741 7065 1 13 . 1 1 6 6 LEU C C 336 178.837 178.837 177.098 1.739 17741 7066 1 13 . 1 1 6 6 LEU CA C 336 54.652 54.652 54.559 0.093 17741 7067 1 13 . 1 1 6 6 LEU CB C 336 43.365 43.365 42.573 0.792 17741 7068 1 13 . 1 1 6 6 LEU H H 336 8.556 8.556 7.865 0.691 17741 7069 1 13 . 1 1 7 7 LEU HA H 337 3.441 3.441 2.934 0.507 17741 7070 1 13 . 1 1 7 7 LEU C C 337 177.908 177.908 178.503 -0.595 17741 7071 1 13 . 1 1 7 7 LEU CA C 337 58.771 58.771 58.408 0.363 17741 7072 1 13 . 1 1 7 7 LEU CB C 337 40.192 40.192 41.422 -1.230 17741 7073 1 13 . 1 1 8 8 TRP N N 338 114.624 114.624 115.489 -0.865 17741 7074 1 13 . 1 1 8 8 TRP HA H 338 3.785 3.785 4.370 -0.585 17741 7075 1 13 . 1 1 8 8 TRP C C 338 175.318 175.318 177.914 -2.596 17741 7076 1 13 . 1 1 8 8 TRP CA C 338 59.891 59.891 59.143 0.748 17741 7077 1 13 . 1 1 8 8 TRP CB C 338 28.359 28.359 28.230 0.129 17741 7078 1 13 . 1 1 8 8 TRP H H 338 7.515 7.515 7.428 0.087 17741 7079 1 13 . 1 1 9 9 ASP HA H 339 3.813 3.813 4.420 -0.607 17741 7080 1 13 . 1 1 9 9 ASP C C 339 177.355 177.355 178.131 -0.776 17741 7081 1 13 . 1 1 9 9 ASP CA C 339 56.291 56.291 56.869 -0.578 17741 7082 1 13 . 1 1 9 9 ASP CB C 339 41.591 41.591 40.436 1.155 17741 7083 1 13 . 1 1 10 10 TYR N N 340 120.906 120.906 120.485 0.421 17741 7084 1 13 . 1 1 10 10 TYR HA H 340 3.897 3.897 3.989 -0.092 17741 7085 1 13 . 1 1 10 10 TYR C C 340 177.011 177.011 177.352 -0.341 17741 7086 1 13 . 1 1 10 10 TYR CA C 340 61.913 61.913 61.059 0.854 17741 7087 1 13 . 1 1 10 10 TYR CB C 340 39.482 39.482 38.502 0.980 17741 7088 1 13 . 1 1 10 10 TYR H H 340 8.005 8.005 8.410 -0.405 17741 7089 1 13 . 1 1 11 11 VAL N N 341 115.016 115.016 117.532 -2.516 17741 7090 1 13 . 1 1 11 11 VAL HA H 341 2.992 2.992 3.132 -0.140 17741 7091 1 13 . 1 1 11 11 VAL C C 341 176.751 176.751 177.010 -0.259 17741 7092 1 13 . 1 1 11 11 VAL CA C 341 66.910 66.910 66.226 0.684 17741 7093 1 13 . 1 1 11 11 VAL CB C 341 30.968 30.968 30.951 0.017 17741 7094 1 13 . 1 1 11 11 VAL H H 341 8.287 8.287 7.779 0.508 17741 7095 1 13 . 1 1 12 12 TYR N N 342 119.030 119.030 119.375 -0.345 17741 7096 1 13 . 1 1 12 12 TYR HA H 342 3.641 3.641 3.851 -0.210 17741 7097 1 13 . 1 1 12 12 TYR C C 342 178.659 178.659 177.813 0.846 17741 7098 1 13 . 1 1 12 12 TYR CA C 342 63.010 63.010 62.261 0.749 17741 7099 1 13 . 1 1 12 12 TYR CB C 342 38.212 38.212 37.601 0.611 17741 7100 1 13 . 1 1 12 12 TYR H H 342 7.673 7.673 7.691 -0.018 17741 7101 1 13 . 1 1 13 13 GLN N N 343 119.113 119.113 118.737 0.376 17741 7102 1 13 . 1 1 13 13 GLN HA H 343 3.828 3.828 4.121 -0.293 17741 7103 1 13 . 1 1 13 13 GLN C C 343 179.955 179.955 178.390 1.565 17741 7104 1 13 . 1 1 13 13 GLN CA C 343 58.871 58.871 58.294 0.577 17741 7105 1 13 . 1 1 13 13 GLN CB C 343 27.514 27.514 27.842 -0.328 17741 7106 1 13 . 1 1 13 13 GLN H H 343 8.161 8.161 7.551 0.610 17741 7107 1 13 . 1 1 14 14 LEU N N 344 121.401 121.401 120.843 0.558 17741 7108 1 13 . 1 1 14 14 LEU HA H 344 3.611 3.611 4.014 -0.403 17741 7109 1 13 . 1 1 14 14 LEU C C 344 179.789 179.789 179.452 0.337 17741 7110 1 13 . 1 1 14 14 LEU CA C 344 58.043 58.043 57.011 1.032 17741 7111 1 13 . 1 1 14 14 LEU CB C 344 41.598 41.598 41.325 0.273 17741 7112 1 13 . 1 1 14 14 LEU H H 344 7.825 7.825 7.440 0.385 17741 7113 1 13 . 1 1 15 15 LEU N N 345 116.853 116.853 118.059 -1.206 17741 7114 1 13 . 1 1 15 15 LEU HA H 345 3.504 3.504 3.860 -0.356 17741 7115 1 13 . 1 1 15 15 LEU C C 345 178.149 178.149 177.728 0.421 17741 7116 1 13 . 1 1 15 15 LEU CA C 345 56.473 56.473 56.342 0.131 17741 7117 1 13 . 1 1 15 15 LEU CB C 345 41.322 41.322 40.527 0.795 17741 7118 1 13 . 1 1 15 15 LEU H H 345 7.503 7.503 8.221 -0.718 17741 7119 1 13 . 1 1 16 16 SER N N 346 112.491 112.491 110.830 1.661 17741 7120 1 13 . 1 1 16 16 SER HA H 346 4.522 4.522 4.709 -0.187 17741 7121 1 13 . 1 1 16 16 SER C C 346 172.441 172.441 173.474 -1.033 17741 7122 1 13 . 1 1 16 16 SER CA C 346 58.859 58.859 57.366 1.493 17741 7123 1 13 . 1 1 16 16 SER CB C 346 63.987 63.987 63.944 0.042 17741 7124 1 13 . 1 1 16 16 SER H H 346 7.277 7.277 7.381 -0.104 17741 7125 1 13 . 1 1 17 17 ASP N N 347 122.161 122.161 120.726 1.435 17741 7126 1 13 . 1 1 17 17 ASP HA H 347 4.966 4.966 4.879 0.087 17741 7127 1 13 . 1 1 17 17 ASP C C 347 175.692 175.692 176.108 -0.416 17741 7128 1 13 . 1 1 17 17 ASP CA C 347 52.805 52.805 53.149 -0.344 17741 7129 1 13 . 1 1 17 17 ASP CB C 347 43.392 43.392 43.423 -0.031 17741 7130 1 13 . 1 1 17 17 ASP H H 347 7.345 7.345 7.428 -0.083 17741 7131 1 13 . 1 1 18 18 SER N N 348 120.164 120.164 122.155 -1.991 17741 7132 1 13 . 1 1 18 18 SER HA H 348 4.356 4.356 4.212 0.144 17741 7133 1 13 . 1 1 18 18 SER C C 348 176.200 176.200 175.494 0.706 17741 7134 1 13 . 1 1 18 18 SER CA C 348 61.207 61.207 59.806 1.401 17741 7135 1 13 . 1 1 18 18 SER CB C 348 63.226 63.226 63.359 -0.133 17741 7136 1 13 . 1 1 18 18 SER H H 348 8.686 8.686 8.846 -0.160 17741 7137 1 13 . 1 1 19 19 ARG N N 349 122.701 122.701 118.789 3.912 17741 7138 1 13 . 1 1 19 19 ARG HA H 349 4.105 4.105 3.926 0.179 17741 7139 1 13 . 1 1 19 19 ARG C C 349 178.120 178.120 177.134 0.986 17741 7140 1 13 . 1 1 19 19 ARG CA C 349 58.604 58.604 57.807 0.797 17741 7141 1 13 . 1 1 19 19 ARG CB C 349 29.854 29.854 29.636 0.218 17741 7142 1 13 . 1 1 19 19 ARG H H 349 8.597 8.597 7.656 0.941 17741 7143 1 13 . 1 1 20 20 TYR N N 350 116.257 116.257 116.557 -0.300 17741 7144 1 13 . 1 1 20 20 TYR HA H 350 4.884 4.884 4.541 0.343 17741 7145 1 13 . 1 1 20 20 TYR C C 350 176.977 176.977 176.450 0.527 17741 7146 1 13 . 1 1 20 20 TYR CA C 350 58.758 58.758 57.112 1.646 17741 7147 1 13 . 1 1 20 20 TYR CB C 350 37.602 37.602 38.468 -0.865 17741 7148 1 13 . 1 1 20 20 TYR H H 350 8.285 8.285 7.637 0.648 17741 7149 1 13 . 1 1 21 21 GLU N N 351 120.807 120.807 121.554 -0.747 17741 7150 1 13 . 1 1 21 21 GLU HA H 351 4.454 4.454 4.382 0.072 17741 7151 1 13 . 1 1 21 21 GLU C C 351 176.277 176.277 176.968 -0.691 17741 7152 1 13 . 1 1 21 21 GLU CA C 351 59.135 59.135 58.513 0.622 17741 7153 1 13 . 1 1 21 21 GLU CB C 351 29.674 29.674 28.883 0.791 17741 7154 1 13 . 1 1 21 21 GLU H H 351 7.527 7.527 7.611 -0.084 17741 7155 1 13 . 1 1 22 22 ASN N N 352 114.501 114.501 115.634 -1.133 17741 7156 1 13 . 1 1 22 22 ASN HA H 352 4.471 4.471 4.636 -0.165 17741 7157 1 13 . 1 1 22 22 ASN C C 352 174.426 174.426 175.623 -1.197 17741 7158 1 13 . 1 1 22 22 ASN CA C 352 54.002 54.002 53.881 0.121 17741 7159 1 13 . 1 1 22 22 ASN CB C 352 36.943 36.943 38.619 -1.676 17741 7160 1 13 . 1 1 22 22 ASN H H 352 8.647 8.647 8.074 0.573 17741 7161 1 13 . 1 1 23 23 PHE N N 353 115.528 115.528 116.023 -0.495 17741 7162 1 13 . 1 1 23 23 PHE HA H 353 4.751 4.751 4.842 -0.091 17741 7163 1 13 . 1 1 23 23 PHE C C 353 176.374 176.374 175.611 0.763 17741 7164 1 13 . 1 1 23 23 PHE CA C 353 59.617 59.617 57.749 1.868 17741 7165 1 13 . 1 1 23 23 PHE CB C 353 41.431 41.431 41.629 -0.198 17741 7166 1 13 . 1 1 23 23 PHE H H 353 8.578 8.578 7.872 0.706 17741 7167 1 13 . 1 1 24 24 ILE N N 354 120.520 120.520 119.105 1.415 17741 7168 1 13 . 1 1 24 24 ILE HA H 354 5.063 5.063 5.033 0.030 17741 7169 1 13 . 1 1 24 24 ILE C C 354 170.331 170.331 172.874 -2.543 17741 7170 1 13 . 1 1 24 24 ILE CA C 354 59.835 59.835 60.759 -0.924 17741 7171 1 13 . 1 1 24 24 ILE CB C 354 40.605 40.605 41.891 -1.286 17741 7172 1 13 . 1 1 24 24 ILE H H 354 8.436 8.436 8.560 -0.124 17741 7173 1 13 . 1 1 25 25 ARG N N 355 121.401 121.401 121.594 -0.193 17741 7174 1 13 . 1 1 25 25 ARG HA H 355 4.916 4.916 4.803 0.113 17741 7175 1 13 . 1 1 25 25 ARG C C 355 175.099 175.099 174.037 1.062 17741 7176 1 13 . 1 1 25 25 ARG CA C 355 54.461 54.461 54.929 -0.468 17741 7177 1 13 . 1 1 25 25 ARG CB C 355 33.662 33.662 33.692 -0.030 17741 7178 1 13 . 1 1 25 25 ARG H H 355 8.668 8.668 9.026 -0.358 17741 7179 1 13 . 1 1 26 26 TRP N N 356 122.022 122.022 123.779 -1.757 17741 7180 1 13 . 1 1 26 26 TRP HA H 356 4.894 4.894 4.848 0.046 17741 7181 1 13 . 1 1 26 26 TRP C C 356 176.606 176.606 176.969 -0.363 17741 7182 1 13 . 1 1 26 26 TRP CA C 356 57.835 57.835 57.723 0.112 17741 7183 1 13 . 1 1 26 26 TRP CB C 356 30.564 30.564 29.649 0.915 17741 7184 1 13 . 1 1 26 26 TRP H H 356 9.149 9.149 8.937 0.212 17741 7185 1 13 . 1 1 27 27 GLU N N 357 125.415 125.415 124.868 0.547 17741 7186 1 13 . 1 1 27 27 GLU HA H 357 4.686 4.686 4.448 0.238 17741 7187 1 13 . 1 1 27 27 GLU C C 357 176.709 176.709 176.215 0.494 17741 7188 1 13 . 1 1 27 27 GLU CA C 357 56.939 56.939 58.098 -1.159 17741 7189 1 13 . 1 1 27 27 GLU CB C 357 31.545 31.545 31.081 0.464 17741 7190 1 13 . 1 1 27 27 GLU H H 357 9.524 9.524 8.953 0.571 17741 7191 1 13 . 1 1 28 28 ASP N N 358 116.214 116.214 119.752 -3.538 17741 7192 1 13 . 1 1 28 28 ASP HA H 358 4.759 4.759 4.989 -0.230 17741 7193 1 13 . 1 1 28 28 ASP C C 358 176.124 176.124 175.709 0.415 17741 7194 1 13 . 1 1 28 28 ASP CA C 358 53.481 53.481 53.369 0.112 17741 7195 1 13 . 1 1 28 28 ASP CB C 358 41.921 41.921 42.299 -0.378 17741 7196 1 13 . 1 1 28 28 ASP H H 358 7.828 7.828 8.457 -0.629 17741 7197 1 13 . 1 1 29 29 LYS N N 359 127.750 127.750 125.088 2.662 17741 7198 1 13 . 1 1 29 29 LYS HA H 359 3.162 3.162 2.959 0.203 17741 7199 1 13 . 1 1 29 29 LYS C C 359 178.683 178.683 178.187 0.496 17741 7200 1 13 . 1 1 29 29 LYS CA C 359 60.173 60.173 59.294 0.880 17741 7201 1 13 . 1 1 29 29 LYS CB C 359 32.728 32.728 32.125 0.603 17741 7202 1 13 . 1 1 29 29 LYS H H 359 9.221 9.221 8.492 0.729 17741 7203 1 13 . 1 1 30 30 GLU N N 360 119.608 119.608 117.004 2.604 17741 7204 1 13 . 1 1 30 30 GLU HA H 360 3.923 3.923 4.012 -0.089 17741 7205 1 13 . 1 1 30 30 GLU C C 360 178.598 178.598 177.328 1.270 17741 7206 1 13 . 1 1 30 30 GLU CA C 360 59.512 59.512 58.628 0.884 17741 7207 1 13 . 1 1 30 30 GLU CB C 360 29.188 29.188 29.146 0.042 17741 7208 1 13 . 1 1 30 30 GLU H H 360 8.343 8.343 8.625 -0.282 17741 7209 1 13 . 1 1 31 31 SER N N 361 113.313 113.313 112.912 0.401 17741 7210 1 13 . 1 1 31 31 SER HA H 361 4.485 4.485 4.564 -0.079 17741 7211 1 13 . 1 1 31 31 SER C C 361 172.284 172.284 173.189 -0.905 17741 7212 1 13 . 1 1 31 31 SER CA C 361 58.745 58.745 58.496 0.249 17741 7213 1 13 . 1 1 31 31 SER CB C 361 63.728 63.728 63.350 0.378 17741 7214 1 13 . 1 1 31 31 SER H H 361 7.466 7.466 7.829 -0.363 17741 7215 1 13 . 1 1 32 32 LYS N N 362 115.197 115.197 117.504 -2.307 17741 7216 1 13 . 1 1 32 32 LYS HA H 362 3.894 3.894 3.790 0.104 17741 7217 1 13 . 1 1 32 32 LYS C C 362 175.489 175.489 175.073 0.416 17741 7218 1 13 . 1 1 32 32 LYS CA C 362 57.641 57.641 57.526 0.115 17741 7219 1 13 . 1 1 32 32 LYS CB C 362 29.811 29.811 30.062 -0.251 17741 7220 1 13 . 1 1 32 32 LYS H H 362 7.741 7.741 7.489 0.252 17741 7221 1 13 . 1 1 33 33 ILE N N 363 118.359 118.359 119.101 -0.742 17741 7222 1 13 . 1 1 33 33 ILE HA H 363 5.356 5.356 5.027 0.329 17741 7223 1 13 . 1 1 33 33 ILE C C 363 177.019 177.019 175.639 1.380 17741 7224 1 13 . 1 1 33 33 ILE CA C 363 60.455 60.455 61.011 -0.556 17741 7225 1 13 . 1 1 33 33 ILE CB C 363 40.081 40.081 39.801 0.280 17741 7226 1 13 . 1 1 33 33 ILE H H 363 8.268 8.268 8.379 -0.111 17741 7227 1 13 . 1 1 34 34 PHE N N 364 128.287 128.287 125.328 2.959 17741 7228 1 13 . 1 1 34 34 PHE HA H 364 5.576 5.576 5.691 -0.115 17741 7229 1 13 . 1 1 34 34 PHE C C 364 170.447 170.447 172.959 -2.512 17741 7230 1 13 . 1 1 34 34 PHE CA C 364 55.128 55.128 55.552 -0.424 17741 7231 1 13 . 1 1 34 34 PHE CB C 364 44.010 44.010 42.870 1.140 17741 7232 1 13 . 1 1 34 34 PHE H H 364 9.962 9.962 9.423 0.539 17741 7233 1 13 . 1 1 35 35 ARG N N 365 120.900 120.900 122.145 -1.245 17741 7234 1 13 . 1 1 35 35 ARG HA H 365 5.486 5.486 5.201 0.285 17741 7235 1 13 . 1 1 35 35 ARG C C 365 176.462 176.462 175.467 0.995 17741 7236 1 13 . 1 1 35 35 ARG CA C 365 53.609 53.609 53.791 -0.182 17741 7237 1 13 . 1 1 35 35 ARG CB C 365 36.518 36.518 32.933 3.585 17741 7238 1 13 . 1 1 35 35 ARG H H 365 9.427 9.427 9.380 0.047 17741 7239 1 13 . 1 1 36 36 ILE N N 366 125.534 125.534 127.781 -2.247 17741 7240 1 13 . 1 1 36 36 ILE HA H 366 4.209 4.209 4.199 0.010 17741 7241 1 13 . 1 1 36 36 ILE C C 366 173.899 173.899 175.648 -1.749 17741 7242 1 13 . 1 1 36 36 ILE CA C 366 63.033 63.033 62.439 0.594 17741 7243 1 13 . 1 1 36 36 ILE CB C 366 37.889 37.889 37.678 0.210 17741 7244 1 13 . 1 1 36 36 ILE H H 366 8.643 8.643 9.030 -0.387 17741 7245 1 13 . 1 1 37 37 VAL N N 367 129.194 129.194 128.226 0.968 17741 7246 1 13 . 1 1 37 37 VAL HA H 367 3.679 3.679 3.897 -0.218 17741 7247 1 13 . 1 1 37 37 VAL C C 367 175.919 175.919 176.327 -0.408 17741 7248 1 13 . 1 1 37 37 VAL CA C 367 64.068 64.068 64.507 -0.439 17741 7249 1 13 . 1 1 37 37 VAL CB C 367 32.884 32.884 32.405 0.479 17741 7250 1 13 . 1 1 37 37 VAL H H 367 7.841 7.841 8.454 -0.613 17741 7251 1 13 . 1 1 38 38 ASP N N 368 114.969 114.969 116.799 -1.830 17741 7252 1 13 . 1 1 38 38 ASP HA H 368 5.222 5.222 5.072 0.150 17741 7253 1 13 . 1 1 38 38 ASP C C 368 173.227 173.227 174.568 -1.341 17741 7254 1 13 . 1 1 38 38 ASP CA C 368 50.238 50.238 51.208 -0.970 17741 7255 1 13 . 1 1 38 38 ASP CB C 368 42.181 42.181 42.477 -0.297 17741 7256 1 13 . 1 1 38 38 ASP H H 368 7.316 7.316 8.024 -0.708 17741 7257 1 13 . 1 1 39 39 PRO HA H 369 3.809 3.809 4.150 -0.341 17741 7258 1 13 . 1 1 39 39 PRO C C 369 177.958 177.958 178.242 -0.284 17741 7259 1 13 . 1 1 39 39 PRO CA C 369 65.612 65.612 65.342 0.270 17741 7260 1 13 . 1 1 39 39 PRO CB C 369 31.068 31.068 31.692 -0.624 17741 7261 1 13 . 1 1 40 40 ASN N N 370 115.480 115.480 117.242 -1.762 17741 7262 1 13 . 1 1 40 40 ASN HA H 370 4.604 4.604 4.467 0.137 17741 7263 1 13 . 1 1 40 40 ASN C C 370 178.566 178.566 177.497 1.069 17741 7264 1 13 . 1 1 40 40 ASN CA C 370 56.471 56.471 56.328 0.143 17741 7265 1 13 . 1 1 40 40 ASN CB C 370 38.068 38.068 38.213 -0.145 17741 7266 1 13 . 1 1 40 40 ASN H H 370 8.094 8.094 8.387 -0.293 17741 7267 1 13 . 1 1 41 41 GLY N N 371 111.371 111.371 107.210 4.161 17741 7268 1 13 . 1 1 41 41 GLY C C 371 176.018 176.018 175.669 0.349 17741 7269 1 13 . 1 1 41 41 GLY CA C 371 47.862 47.862 45.848 2.014 17741 7270 1 13 . 1 1 41 41 GLY H H 371 8.632 8.632 8.510 0.122 17741 7271 1 13 . 1 1 42 42 LEU N N 372 122.901 122.901 122.865 0.036 17741 7272 1 13 . 1 1 42 42 LEU HA H 372 4.035 4.035 4.265 -0.230 17741 7273 1 13 . 1 1 42 42 LEU C C 372 177.704 177.704 178.452 -0.748 17741 7274 1 13 . 1 1 42 42 LEU CA C 372 57.913 57.913 57.185 0.728 17741 7275 1 13 . 1 1 42 42 LEU CB C 372 42.136 42.136 41.301 0.835 17741 7276 1 13 . 1 1 42 42 LEU H H 372 8.876 8.876 7.896 0.980 17741 7277 1 13 . 1 1 43 43 ALA N N 373 120.103 120.103 121.723 -1.620 17741 7278 1 13 . 1 1 43 43 ALA HA H 373 4.462 4.462 4.250 0.212 17741 7279 1 13 . 1 1 43 43 ALA C C 373 179.091 179.091 179.067 0.024 17741 7280 1 13 . 1 1 43 43 ALA CA C 373 55.441 55.441 55.200 0.241 17741 7281 1 13 . 1 1 43 43 ALA CB C 373 18.098 18.098 18.523 -0.425 17741 7282 1 13 . 1 1 43 43 ALA H H 373 8.062 8.062 8.581 -0.519 17741 7283 1 13 . 1 1 44 44 ARG N N 374 118.071 118.071 119.436 -1.365 17741 7284 1 13 . 1 1 44 44 ARG HA H 374 4.117 4.117 4.041 0.076 17741 7285 1 13 . 1 1 44 44 ARG C C 374 179.414 179.414 178.386 1.028 17741 7286 1 13 . 1 1 44 44 ARG CA C 374 59.297 59.297 59.230 0.067 17741 7287 1 13 . 1 1 44 44 ARG CB C 374 30.069 30.069 29.784 0.285 17741 7288 1 13 . 1 1 44 44 ARG H H 374 7.725 7.725 7.641 0.084 17741 7289 1 13 . 1 1 45 45 LEU N N 375 121.601 121.601 120.941 0.660 17741 7290 1 13 . 1 1 45 45 LEU HA H 375 4.015 4.015 4.243 -0.228 17741 7291 1 13 . 1 1 45 45 LEU C C 375 180.087 180.087 178.883 1.204 17741 7292 1 13 . 1 1 45 45 LEU CA C 375 58.553 58.553 58.020 0.534 17741 7293 1 13 . 1 1 45 45 LEU CB C 375 41.495 41.495 41.337 0.158 17741 7294 1 13 . 1 1 45 45 LEU H H 375 7.877 7.877 7.836 0.041 17741 7295 1 13 . 1 1 46 46 TRP N N 376 121.543 121.543 121.659 -0.116 17741 7296 1 13 . 1 1 46 46 TRP HA H 376 4.333 4.333 3.937 0.397 17741 7297 1 13 . 1 1 46 46 TRP C C 376 177.572 177.572 178.718 -1.146 17741 7298 1 13 . 1 1 46 46 TRP CA C 376 59.091 59.091 59.297 -0.206 17741 7299 1 13 . 1 1 46 46 TRP CB C 376 30.305 30.305 29.599 0.706 17741 7300 1 13 . 1 1 46 46 TRP H H 376 8.615 8.615 8.660 -0.045 17741 7301 1 13 . 1 1 47 47 GLY N N 377 105.532 105.532 105.174 0.358 17741 7302 1 13 . 1 1 47 47 GLY C C 377 176.057 176.057 175.897 0.160 17741 7303 1 13 . 1 1 47 47 GLY CA C 377 48.035 48.035 46.818 1.217 17741 7304 1 13 . 1 1 47 47 GLY H H 377 8.877 8.877 8.745 0.132 17741 7305 1 13 . 1 1 48 48 ASN N N 378 119.996 119.996 121.546 -1.550 17741 7306 1 13 . 1 1 48 48 ASN HA H 378 4.403 4.403 4.379 0.024 17741 7307 1 13 . 1 1 48 48 ASN C C 378 178.112 178.112 177.885 0.227 17741 7308 1 13 . 1 1 48 48 ASN CA C 378 56.229 56.229 56.795 -0.566 17741 7309 1 13 . 1 1 48 48 ASN CB C 378 38.272 38.272 38.493 -0.221 17741 7310 1 13 . 1 1 48 48 ASN H H 378 8.176 8.176 7.924 0.252 17741 7311 1 13 . 1 1 49 49 HIS N N 379 121.459 121.459 119.046 2.413 17741 7312 1 13 . 1 1 49 49 HIS HA H 379 4.129 4.129 4.224 -0.095 17741 7313 1 13 . 1 1 49 49 HIS C C 379 175.858 175.858 175.612 0.246 17741 7314 1 13 . 1 1 49 49 HIS CA C 379 59.234 59.234 58.378 0.856 17741 7315 1 13 . 1 1 49 49 HIS CB C 379 29.473 29.473 29.478 -0.005 17741 7316 1 13 . 1 1 49 49 HIS H H 379 8.138 8.138 8.232 -0.094 17741 7317 1 13 . 1 1 50 50 LYS N N 380 115.130 115.130 115.690 -0.560 17741 7318 1 13 . 1 1 50 50 LYS HA H 380 3.797 3.797 4.079 -0.282 17741 7319 1 13 . 1 1 50 50 LYS C C 380 175.468 175.468 175.015 0.453 17741 7320 1 13 . 1 1 50 50 LYS CA C 380 54.085 54.085 55.516 -1.431 17741 7321 1 13 . 1 1 50 50 LYS CB C 380 30.887 30.887 32.561 -1.674 17741 7322 1 13 . 1 1 50 50 LYS H H 380 7.552 7.552 7.283 0.269 17741 7323 1 13 . 1 1 51 51 ASN N N 381 116.632 116.632 114.407 2.225 17741 7324 1 13 . 1 1 51 51 ASN HA H 381 4.264 4.264 4.255 0.009 17741 7325 1 13 . 1 1 51 51 ASN C C 381 174.332 174.332 174.203 0.129 17741 7326 1 13 . 1 1 51 51 ASN CA C 381 54.189 54.189 54.529 -0.340 17741 7327 1 13 . 1 1 51 51 ASN CB C 381 37.343 37.343 37.026 0.317 17741 7328 1 13 . 1 1 51 51 ASN H H 381 7.715 7.715 7.672 0.043 17741 7329 1 13 . 1 1 52 52 ARG N N 382 117.701 117.701 119.202 -1.501 17741 7330 1 13 . 1 1 52 52 ARG HA H 382 4.583 4.583 4.626 -0.043 17741 7331 1 13 . 1 1 52 52 ARG C C 382 176.172 176.172 175.556 0.616 17741 7332 1 13 . 1 1 52 52 ARG CA C 382 54.167 54.167 54.363 -0.196 17741 7333 1 13 . 1 1 52 52 ARG CB C 382 31.882 31.882 32.022 -0.140 17741 7334 1 13 . 1 1 52 52 ARG H H 382 8.465 8.465 8.191 0.274 17741 7335 1 13 . 1 1 53 53 THR N N 383 114.338 114.338 114.986 -0.648 17741 7336 1 13 . 1 1 53 53 THR HA H 383 4.208 4.208 4.312 -0.104 17741 7337 1 13 . 1 1 53 53 THR C C 383 174.496 174.496 174.916 -0.420 17741 7338 1 13 . 1 1 53 53 THR CA C 383 62.345 62.345 63.926 -1.581 17741 7339 1 13 . 1 1 53 53 THR CB C 383 69.699 69.699 69.305 0.394 17741 7340 1 13 . 1 1 53 53 THR H H 383 8.274 8.274 8.495 -0.221 17741 7341 1 13 . 1 1 54 54 ASN N N 384 119.031 119.031 119.848 -0.817 17741 7342 1 13 . 1 1 54 54 ASN HA H 384 4.607 4.607 4.837 -0.230 17741 7343 1 13 . 1 1 54 54 ASN C C 384 174.829 174.829 173.849 0.980 17741 7344 1 13 . 1 1 54 54 ASN CA C 384 53.155 53.155 52.824 0.331 17741 7345 1 13 . 1 1 54 54 ASN CB C 384 37.871 37.871 38.090 -0.219 17741 7346 1 13 . 1 1 54 54 ASN H H 384 8.457 8.457 8.337 0.120 17741 7347 1 13 . 1 1 55 55 MET N N 385 119.922 119.922 120.468 -0.546 17741 7348 1 13 . 1 1 55 55 MET HA H 385 4.558 4.558 4.610 -0.052 17741 7349 1 13 . 1 1 55 55 MET C C 385 174.921 174.921 174.517 0.404 17741 7350 1 13 . 1 1 55 55 MET CA C 385 55.271 55.271 54.660 0.611 17741 7351 1 13 . 1 1 55 55 MET CB C 385 30.991 30.991 34.495 -3.503 17741 7352 1 13 . 1 1 55 55 MET H H 385 8.073 8.073 7.323 0.750 17741 7353 1 13 . 1 1 56 56 THR N N 386 113.771 113.771 115.302 -1.531 17741 7354 1 13 . 1 1 56 56 THR HA H 386 4.693 4.693 4.704 -0.011 17741 7355 1 13 . 1 1 56 56 THR C C 386 175.459 175.459 174.629 0.830 17741 7356 1 13 . 1 1 56 56 THR CA C 386 59.043 59.043 59.069 -0.026 17741 7357 1 13 . 1 1 56 56 THR CB C 386 72.393 72.393 71.943 0.450 17741 7358 1 13 . 1 1 56 56 THR H H 386 7.076 7.076 8.142 -1.066 17741 7359 1 13 . 1 1 57 57 TYR N N 387 123.521 123.521 121.991 1.530 17741 7360 1 13 . 1 1 57 57 TYR HA H 387 4.127 4.127 4.195 -0.068 17741 7361 1 13 . 1 1 57 57 TYR C C 387 177.432 177.432 177.050 0.382 17741 7362 1 13 . 1 1 57 57 TYR CA C 387 62.527 62.527 61.683 0.844 17741 7363 1 13 . 1 1 57 57 TYR CB C 387 37.289 37.289 38.658 -1.369 17741 7364 1 13 . 1 1 57 57 TYR H H 387 9.726 9.726 8.979 0.747 17741 7365 1 13 . 1 1 58 58 GLU N N 388 121.083 121.083 119.382 1.701 17741 7366 1 13 . 1 1 58 58 GLU HA H 388 3.825 3.825 3.800 0.025 17741 7367 1 13 . 1 1 58 58 GLU C C 388 179.225 179.225 178.814 0.411 17741 7368 1 13 . 1 1 58 58 GLU CA C 388 60.476 60.476 59.925 0.551 17741 7369 1 13 . 1 1 58 58 GLU CB C 388 29.087 29.087 29.061 0.026 17741 7370 1 13 . 1 1 58 58 GLU H H 388 8.843 8.843 8.436 0.407 17741 7371 1 13 . 1 1 59 59 LYS N N 389 119.209 119.209 118.591 0.618 17741 7372 1 13 . 1 1 59 59 LYS HA H 389 3.971 3.971 4.029 -0.058 17741 7373 1 13 . 1 1 59 59 LYS C C 389 179.944 179.944 178.990 0.954 17741 7374 1 13 . 1 1 59 59 LYS CA C 389 59.897 59.897 58.781 1.116 17741 7375 1 13 . 1 1 59 59 LYS CB C 389 33.359 33.359 32.119 1.240 17741 7376 1 13 . 1 1 59 59 LYS H H 389 7.605 7.605 7.399 0.206 17741 7377 1 13 . 1 1 60 60 MET N N 390 122.401 122.401 120.959 1.442 17741 7378 1 13 . 1 1 60 60 MET HA H 390 3.944 3.944 3.902 0.042 17741 7379 1 13 . 1 1 60 60 MET C C 390 177.716 177.716 177.286 0.430 17741 7380 1 13 . 1 1 60 60 MET CA C 390 59.547 59.547 59.078 0.469 17741 7381 1 13 . 1 1 60 60 MET CB C 390 33.315 33.315 32.360 0.955 17741 7382 1 13 . 1 1 60 60 MET H H 390 8.229 8.229 7.676 0.553 17741 7383 1 13 . 1 1 61 61 SER N N 391 114.652 114.652 114.823 -0.171 17741 7384 1 13 . 1 1 61 61 SER HA H 391 3.771 3.771 3.667 0.104 17741 7385 1 13 . 1 1 61 61 SER C C 391 176.449 176.449 176.250 0.199 17741 7386 1 13 . 1 1 61 61 SER CA C 391 61.554 61.554 61.279 0.275 17741 7387 1 13 . 1 1 61 61 SER CB C 391 62.278 62.278 62.737 -0.459 17741 7388 1 13 . 1 1 61 61 SER H H 391 8.829 8.829 8.322 0.507 17741 7389 1 13 . 1 1 62 62 ARG N N 392 122.213 122.213 120.313 1.900 17741 7390 1 13 . 1 1 62 62 ARG HA H 392 3.945 3.945 3.845 0.100 17741 7391 1 13 . 1 1 62 62 ARG C C 392 178.600 178.600 178.345 0.255 17741 7392 1 13 . 1 1 62 62 ARG CA C 392 59.571 59.571 58.549 1.022 17741 7393 1 13 . 1 1 62 62 ARG CB C 392 29.914 29.914 29.292 0.622 17741 7394 1 13 . 1 1 62 62 ARG H H 392 7.413 7.413 7.619 -0.206 17741 7395 1 13 . 1 1 63 63 ALA N N 393 122.327 122.327 121.639 0.688 17741 7396 1 13 . 1 1 63 63 ALA HA H 393 4.157 4.157 3.770 0.387 17741 7397 1 13 . 1 1 63 63 ALA C C 393 180.147 180.147 179.196 0.951 17741 7398 1 13 . 1 1 63 63 ALA CA C 393 54.749 54.749 54.576 0.173 17741 7399 1 13 . 1 1 63 63 ALA CB C 393 18.529 18.529 17.863 0.666 17741 7400 1 13 . 1 1 63 63 ALA H H 393 7.256 7.256 7.286 -0.030 17741 7401 1 13 . 1 1 64 64 LEU N N 394 117.582 117.582 117.953 -0.371 17741 7402 1 13 . 1 1 64 64 LEU HA H 394 3.769 3.769 3.442 0.327 17741 7403 1 13 . 1 1 64 64 LEU C C 394 178.139 178.139 178.622 -0.483 17741 7404 1 13 . 1 1 64 64 LEU CA C 394 58.012 58.012 57.230 0.782 17741 7405 1 13 . 1 1 64 64 LEU CB C 394 41.396 41.396 41.167 0.229 17741 7406 1 13 . 1 1 64 64 LEU H H 394 7.768 7.768 7.425 0.343 17741 7407 1 13 . 1 1 65 65 ARG N N 395 116.204 116.204 116.999 -0.795 17741 7408 1 13 . 1 1 65 65 ARG HA H 395 3.445 3.445 3.380 0.065 17741 7409 1 13 . 1 1 65 65 ARG C C 395 179.423 179.423 179.473 -0.050 17741 7410 1 13 . 1 1 65 65 ARG CA C 395 58.829 58.829 58.390 0.439 17741 7411 1 13 . 1 1 65 65 ARG CB C 395 29.776 29.776 29.230 0.546 17741 7412 1 13 . 1 1 65 65 ARG H H 395 7.595 7.595 8.210 -0.615 17741 7413 1 13 . 1 1 66 66 HIS N N 396 118.573 118.573 120.905 -2.332 17741 7414 1 13 . 1 1 66 66 HIS HA H 396 4.401 4.401 4.393 0.008 17741 7415 1 13 . 1 1 66 66 HIS C C 396 177.218 177.218 177.336 -0.118 17741 7416 1 13 . 1 1 66 66 HIS CA C 396 58.821 58.821 59.023 -0.202 17741 7417 1 13 . 1 1 66 66 HIS CB C 396 29.753 29.753 29.730 0.023 17741 7418 1 13 . 1 1 66 66 HIS H H 396 7.362 7.362 7.688 -0.326 17741 7419 1 13 . 1 1 67 67 TYR N N 397 115.773 115.773 119.307 -3.534 17741 7420 1 13 . 1 1 67 67 TYR HA H 397 4.259 4.259 4.073 0.186 17741 7421 1 13 . 1 1 67 67 TYR C C 397 178.802 178.802 178.332 0.470 17741 7422 1 13 . 1 1 67 67 TYR CA C 397 60.329 60.329 59.708 0.621 17741 7423 1 13 . 1 1 67 67 TYR CB C 397 37.379 37.379 36.738 0.641 17741 7424 1 13 . 1 1 67 67 TYR H H 397 7.568 7.568 7.817 -0.249 17741 7425 1 13 . 1 1 68 68 TYR N N 398 121.825 121.825 117.929 3.896 17741 7426 1 13 . 1 1 68 68 TYR HA H 398 5.413 5.413 4.682 0.731 17741 7427 1 13 . 1 1 68 68 TYR C C 398 181.169 181.169 178.858 2.311 17741 7428 1 13 . 1 1 68 68 TYR CA C 398 57.775 57.775 59.561 -1.786 17741 7429 1 13 . 1 1 68 68 TYR CB C 398 36.972 36.972 37.185 -0.213 17741 7430 1 13 . 1 1 68 68 TYR H H 398 8.116 8.116 7.660 0.456 17741 7431 1 13 . 1 1 69 69 LYS N N 399 120.934 120.934 118.120 2.814 17741 7432 1 13 . 1 1 69 69 LYS HA H 399 4.127 4.127 4.128 -0.001 17741 7433 1 13 . 1 1 69 69 LYS C C 399 177.928 177.928 177.904 0.024 17741 7434 1 13 . 1 1 69 69 LYS CA C 399 58.912 58.912 59.118 -0.206 17741 7435 1 13 . 1 1 69 69 LYS CB C 399 32.188 32.188 32.105 0.083 17741 7436 1 13 . 1 1 69 69 LYS H H 399 7.771 7.771 8.253 -0.482 17741 7437 1 13 . 1 1 70 70 LEU N N 400 116.022 116.022 116.752 -0.730 17741 7438 1 13 . 1 1 70 70 LEU HA H 400 4.291 4.291 4.293 -0.002 17741 7439 1 13 . 1 1 70 70 LEU C C 400 175.827 175.827 176.405 -0.578 17741 7440 1 13 . 1 1 70 70 LEU CA C 400 54.675 54.675 54.501 0.174 17741 7441 1 13 . 1 1 70 70 LEU CB C 400 43.081 43.081 40.963 2.118 17741 7442 1 13 . 1 1 70 70 LEU H H 400 7.144 7.144 7.614 -0.470 17741 7443 1 13 . 1 1 71 71 ASN N N 401 115.201 115.201 114.725 0.476 17741 7444 1 13 . 1 1 71 71 ASN HA H 401 4.352 4.352 4.386 -0.034 17741 7445 1 13 . 1 1 71 71 ASN C C 401 173.517 173.517 174.652 -1.135 17741 7446 1 13 . 1 1 71 71 ASN CA C 401 54.602 54.602 54.813 -0.211 17741 7447 1 13 . 1 1 71 71 ASN CB C 401 37.381 37.381 36.494 0.887 17741 7448 1 13 . 1 1 71 71 ASN H H 401 8.047 8.047 7.715 0.332 17741 7449 1 13 . 1 1 72 72 ILE N N 402 113.907 113.907 115.464 -1.557 17741 7450 1 13 . 1 1 72 72 ILE HA H 402 4.059 4.059 4.037 0.022 17741 7451 1 13 . 1 1 72 72 ILE C C 402 176.279 176.279 175.513 0.766 17741 7452 1 13 . 1 1 72 72 ILE CA C 402 63.797 63.797 62.423 1.374 17741 7453 1 13 . 1 1 72 72 ILE CB C 402 40.395 40.395 39.940 0.455 17741 7454 1 13 . 1 1 72 72 ILE H H 402 7.986 7.986 8.470 -0.484 17741 7455 1 13 . 1 1 73 73 ILE N N 403 116.766 116.766 116.095 0.671 17741 7456 1 13 . 1 1 73 73 ILE HA H 403 5.042 5.042 4.694 0.348 17741 7457 1 13 . 1 1 73 73 ILE C C 403 173.945 173.945 174.299 -0.354 17741 7458 1 13 . 1 1 73 73 ILE CA C 403 59.247 59.247 59.404 -0.157 17741 7459 1 13 . 1 1 73 73 ILE CB C 403 43.414 43.414 41.956 1.458 17741 7460 1 13 . 1 1 73 73 ILE H H 403 7.042 7.042 7.131 -0.089 17741 7461 1 13 . 1 1 74 74 ARG N N 404 123.256 123.256 121.830 1.426 17741 7462 1 13 . 1 1 74 74 ARG HA H 404 4.751 4.751 4.626 0.125 17741 7463 1 13 . 1 1 74 74 ARG C C 404 174.757 174.757 174.016 0.741 17741 7464 1 13 . 1 1 74 74 ARG CA C 404 54.274 54.274 54.187 0.087 17741 7465 1 13 . 1 1 74 74 ARG CB C 404 34.492 34.492 34.219 0.273 17741 7466 1 13 . 1 1 74 74 ARG H H 404 8.931 8.931 9.146 -0.215 17741 7467 1 13 . 1 1 75 75 LYS N N 405 125.627 125.627 121.193 4.434 17741 7468 1 13 . 1 1 75 75 LYS HA H 405 4.076 4.076 4.365 -0.289 17741 7469 1 13 . 1 1 75 75 LYS C C 405 176.481 176.481 175.981 0.500 17741 7470 1 13 . 1 1 75 75 LYS CA C 405 56.446 56.446 53.755 2.692 17741 7471 1 13 . 1 1 75 75 LYS CB C 405 32.758 32.758 33.809 -1.051 17741 7472 1 13 . 1 1 75 75 LYS H H 405 8.294 8.294 8.053 0.241 17741 7473 1 13 . 1 1 76 76 GLU N N 406 128.187 128.187 125.394 2.793 17741 7474 1 13 . 1 1 76 76 GLU HA H 406 4.447 4.447 4.562 -0.115 17741 7475 1 13 . 1 1 76 76 GLU C C 406 174.401 174.401 174.910 -0.509 17741 7476 1 13 . 1 1 76 76 GLU CA C 406 53.751 53.751 53.145 0.606 17741 7477 1 13 . 1 1 76 76 GLU CB C 406 29.951 29.951 28.297 1.654 17741 7478 1 13 . 1 1 76 76 GLU H H 406 8.016 8.016 8.056 -0.040 17741 7479 1 13 . 1 1 77 77 PRO HA H 407 4.288 4.288 4.343 -0.055 17741 7480 1 13 . 1 1 77 77 PRO C C 407 177.654 177.654 176.844 0.810 17741 7481 1 13 . 1 1 77 77 PRO CA C 407 63.433 63.433 63.072 0.361 17741 7482 1 13 . 1 1 77 77 PRO CB C 407 32.152 32.152 31.068 1.084 17741 7483 1 13 . 1 1 78 78 GLY N N 408 109.679 109.679 113.151 -3.472 17741 7484 1 13 . 1 1 78 78 GLY C C 408 173.976 173.976 173.943 0.033 17741 7485 1 13 . 1 1 78 78 GLY CA C 408 45.539 45.539 44.826 0.713 17741 7486 1 13 . 1 1 78 78 GLY H H 408 8.514 8.514 8.419 0.095 17741 7487 1 13 . 1 1 79 79 GLN N N 409 116.897 116.897 120.274 -3.377 17741 7488 1 13 . 1 1 79 79 GLN HA H 409 4.489 4.489 4.459 0.030 17741 7489 1 13 . 1 1 79 79 GLN C C 409 175.371 175.371 175.686 -0.315 17741 7490 1 13 . 1 1 79 79 GLN CA C 409 54.472 54.472 55.094 -0.622 17741 7491 1 13 . 1 1 79 79 GLN CB C 409 31.301 31.301 29.599 1.702 17741 7492 1 13 . 1 1 79 79 GLN H H 409 7.572 7.572 8.765 -1.193 17741 7493 1 13 . 1 1 80 80 ARG N N 410 120.458 120.458 120.410 0.048 17741 7494 1 13 . 1 1 80 80 ARG HA H 410 4.275 4.275 4.184 0.091 17741 7495 1 13 . 1 1 80 80 ARG C C 410 176.227 176.227 176.644 -0.417 17741 7496 1 13 . 1 1 80 80 ARG CA C 410 56.891 56.891 58.127 -1.236 17741 7497 1 13 . 1 1 80 80 ARG CB C 410 31.475 31.475 30.202 1.273 17741 7498 1 13 . 1 1 80 80 ARG H H 410 8.254 8.254 8.750 -0.496 17741 7499 1 13 . 1 1 81 81 LEU N N 411 119.424 119.424 120.977 -1.553 17741 7500 1 13 . 1 1 81 81 LEU HA H 411 4.048 4.048 4.567 -0.519 17741 7501 1 13 . 1 1 81 81 LEU C C 411 173.277 173.277 174.912 -1.635 17741 7502 1 13 . 1 1 81 81 LEU CA C 411 55.111 55.111 53.711 1.400 17741 7503 1 13 . 1 1 81 81 LEU CB C 411 40.298 40.298 41.972 -1.674 17741 7504 1 13 . 1 1 81 81 LEU H H 411 8.467 8.467 7.844 0.623 17741 7505 1 13 . 1 1 82 82 LEU N N 412 119.126 119.126 121.881 -2.755 17741 7506 1 13 . 1 1 82 82 LEU HA H 412 5.036 5.036 4.749 0.287 17741 7507 1 13 . 1 1 82 82 LEU C C 412 175.323 175.323 174.482 0.841 17741 7508 1 13 . 1 1 82 82 LEU CA C 412 53.175 53.175 53.476 -0.301 17741 7509 1 13 . 1 1 82 82 LEU CB C 412 45.482 45.482 43.320 2.162 17741 7510 1 13 . 1 1 82 82 LEU H H 412 6.769 6.769 7.172 -0.403 17741 7511 1 13 . 1 1 83 83 PHE N N 413 122.107 122.107 123.800 -1.693 17741 7512 1 13 . 1 1 83 83 PHE HA H 413 4.848 4.848 4.885 -0.037 17741 7513 1 13 . 1 1 83 83 PHE C C 413 172.764 172.764 173.559 -0.795 17741 7514 1 13 . 1 1 83 83 PHE CA C 413 55.848 55.848 56.213 -0.365 17741 7515 1 13 . 1 1 83 83 PHE CB C 413 44.675 44.675 42.969 1.706 17741 7516 1 13 . 1 1 83 83 PHE H H 413 8.648 8.648 9.116 -0.468 17741 7517 1 13 . 1 1 84 84 ARG N N 414 119.466 119.466 121.933 -2.467 17741 7518 1 13 . 1 1 84 84 ARG HA H 414 5.578 5.578 5.310 0.268 17741 7519 1 13 . 1 1 84 84 ARG C C 414 177.476 177.476 175.144 2.332 17741 7520 1 13 . 1 1 84 84 ARG CA C 414 54.198 54.198 54.212 -0.014 17741 7521 1 13 . 1 1 84 84 ARG CB C 414 36.128 36.128 33.902 2.226 17741 7522 1 13 . 1 1 84 84 ARG H H 414 9.117 9.117 8.629 0.488 17741 7523 1 13 . 1 1 85 85 PHE N N 415 124.357 124.357 126.836 -2.479 17741 7524 1 13 . 1 1 85 85 PHE HA H 415 5.037 5.037 4.744 0.293 17741 7525 1 13 . 1 1 85 85 PHE C C 415 176.084 176.084 176.035 0.049 17741 7526 1 13 . 1 1 85 85 PHE CA C 415 59.719 59.719 60.492 -0.773 17741 7527 1 13 . 1 1 85 85 PHE CB C 415 40.812 40.812 39.073 1.739 17741 7528 1 13 . 1 1 85 85 PHE H H 415 8.984 8.984 9.465 -0.481 17741 7529 1 13 . 1 1 86 86 MET N N 416 121.301 121.301 123.748 -2.447 17741 7530 1 13 . 1 1 86 86 MET HA H 416 4.670 4.670 4.158 0.512 17741 7531 1 13 . 1 1 86 86 MET C C 416 176.543 176.543 176.818 -0.275 17741 7532 1 13 . 1 1 86 86 MET CA C 416 54.863 54.863 58.467 -3.604 17741 7533 1 13 . 1 1 86 86 MET CB C 416 31.711 31.711 32.791 -1.080 17741 7534 1 13 . 1 1 86 86 MET H H 416 8.671 8.671 8.463 0.208 17741 7535 1 13 . 1 1 87 87 LYS N N 417 117.759 117.759 114.460 3.299 17741 7536 1 13 . 1 1 87 87 LYS HA H 417 4.856 4.856 4.822 0.034 17741 7537 1 13 . 1 1 87 87 LYS C C 417 175.445 175.445 175.726 -0.281 17741 7538 1 13 . 1 1 87 87 LYS CA C 417 54.550 54.550 54.685 -0.135 17741 7539 1 13 . 1 1 87 87 LYS CB C 417 37.828 37.828 36.388 1.440 17741 7540 1 13 . 1 1 87 87 LYS H H 417 7.656 7.656 7.662 -0.006 17741 7541 1 13 . 1 1 88 88 THR N N 418 112.506 112.506 111.688 0.818 17741 7542 1 13 . 1 1 88 88 THR HA H 418 4.372 4.372 5.097 -0.725 17741 7543 1 13 . 1 1 88 88 THR C C 418 173.594 173.594 173.531 0.063 17741 7544 1 13 . 1 1 88 88 THR CA C 418 59.640 59.640 58.404 1.236 17741 7545 1 13 . 1 1 88 88 THR CB C 418 68.065 68.065 69.116 -1.051 17741 7546 1 13 . 1 1 88 88 THR H H 418 8.685 8.685 8.883 -0.198 17741 7547 1 13 . 1 1 89 89 PRO HA H 419 3.748 3.748 4.075 -0.327 17741 7548 1 13 . 1 1 89 89 PRO C C 419 177.219 177.219 178.822 -1.603 17741 7549 1 13 . 1 1 89 89 PRO CA C 419 65.592 65.592 66.355 -0.763 17741 7550 1 13 . 1 1 89 89 PRO CB C 419 31.739 31.739 31.851 -0.112 17741 7551 1 13 . 1 1 90 90 ASP N N 420 114.631 114.631 114.748 -0.117 17741 7552 1 13 . 1 1 90 90 ASP HA H 420 4.265 4.265 4.388 -0.123 17741 7553 1 13 . 1 1 90 90 ASP C C 420 177.962 177.962 177.036 0.926 17741 7554 1 13 . 1 1 90 90 ASP CA C 420 56.371 56.371 56.660 -0.290 17741 7555 1 13 . 1 1 90 90 ASP CB C 420 40.662 40.662 40.765 -0.103 17741 7556 1 13 . 1 1 90 90 ASP H H 420 7.962 7.962 8.541 -0.579 17741 7557 1 13 . 1 1 91 91 GLU N N 421 119.501 119.501 117.462 2.039 17741 7558 1 13 . 1 1 91 91 GLU HA H 421 4.043 4.043 4.074 -0.031 17741 7559 1 13 . 1 1 91 91 GLU C C 421 178.599 178.599 178.933 -0.334 17741 7560 1 13 . 1 1 91 91 GLU CA C 421 58.113 58.113 58.521 -0.408 17741 7561 1 13 . 1 1 91 91 GLU CB C 421 30.721 30.721 29.963 0.758 17741 7562 1 13 . 1 1 91 91 GLU H H 421 7.661 7.661 7.685 -0.024 17741 7563 1 13 . 1 1 92 92 ILE N N 422 120.594 120.594 120.299 0.295 17741 7564 1 13 . 1 1 92 92 ILE HA H 422 3.641 3.641 3.726 -0.085 17741 7565 1 13 . 1 1 92 92 ILE C C 422 177.752 177.752 177.985 -0.233 17741 7566 1 13 . 1 1 92 92 ILE CA C 422 62.931 62.931 65.065 -2.134 17741 7567 1 13 . 1 1 92 92 ILE CB C 422 38.185 38.185 37.942 0.243 17741 7568 1 13 . 1 1 92 92 ILE H H 422 7.861 7.861 8.318 -0.457 17741 7569 1 13 . 1 1 93 93 MET N N 423 119.187 119.187 116.690 2.497 17741 7570 1 13 . 1 1 93 93 MET HA H 423 4.391 4.391 4.397 -0.006 17741 7571 1 13 . 1 1 93 93 MET C C 423 176.982 176.982 177.062 -0.080 17741 7572 1 13 . 1 1 93 93 MET CA C 423 56.491 56.491 56.994 -0.503 17741 7573 1 13 . 1 1 93 93 MET CB C 423 32.584 32.584 31.966 0.618 17741 7574 1 13 . 1 1 93 93 MET H H 423 8.158 8.158 8.328 -0.170 17741 7575 1 13 . 1 1 94 94 SER N N 424 114.933 114.933 114.392 0.541 17741 7576 1 13 . 1 1 94 94 SER HA H 424 4.394 4.394 4.388 0.006 17741 7577 1 13 . 1 1 94 94 SER C C 424 175.238 175.238 175.445 -0.207 17741 7578 1 13 . 1 1 94 94 SER CA C 424 59.423 59.423 59.823 -0.400 17741 7579 1 13 . 1 1 94 94 SER CB C 424 63.695 63.695 63.752 -0.057 17741 7580 1 13 . 1 1 94 94 SER H H 424 7.854 7.854 7.572 0.282 17741 7581 1 13 . 1 1 95 95 GLY N N 425 110.045 110.045 109.617 0.428 17741 7582 1 13 . 1 1 95 95 GLY C C 425 174.194 174.194 175.274 -1.080 17741 7583 1 13 . 1 1 95 95 GLY CA C 425 45.432 45.432 45.280 0.152 17741 7584 1 13 . 1 1 95 95 GLY H H 425 8.061 8.061 7.672 0.389 17741 7585 1 13 . 1 1 96 96 ARG N N 426 119.987 119.987 121.045 -1.058 17741 7586 1 13 . 1 1 96 96 ARG HA H 426 4.475 4.475 4.190 0.285 17741 7587 1 13 . 1 1 96 96 ARG C C 426 177.308 177.308 177.291 0.017 17741 7588 1 13 . 1 1 96 96 ARG CA C 426 56.195 56.195 58.175 -1.980 17741 7589 1 13 . 1 1 96 96 ARG CB C 426 30.354 30.354 30.252 0.102 17741 7590 1 13 . 1 1 96 96 ARG H H 426 8.092 8.092 7.931 0.161 17741 7591 1 13 . 1 1 97 97 THR N N 427 114.398 114.398 112.094 2.304 17741 7592 1 13 . 1 1 97 97 THR HA H 427 4.298 4.298 4.631 -0.333 17741 7593 1 13 . 1 1 97 97 THR C C 427 174.913 174.913 174.199 0.714 17741 7594 1 13 . 1 1 97 97 THR CA C 427 62.673 62.673 60.656 2.017 17741 7595 1 13 . 1 1 97 97 THR CB C 427 69.473 69.473 69.209 0.264 17741 7596 1 13 . 1 1 97 97 THR H H 427 8.319 8.319 7.624 0.695 17741 7597 1 13 . 1 1 98 98 ASP N N 428 121.983 121.983 122.645 -0.662 17741 7598 1 13 . 1 1 98 98 ASP HA H 428 4.508 4.508 4.646 -0.138 17741 7599 1 13 . 1 1 98 98 ASP C C 428 176.956 176.956 177.623 -0.667 17741 7600 1 13 . 1 1 98 98 ASP CA C 428 55.433 55.433 57.588 -2.155 17741 7601 1 13 . 1 1 98 98 ASP CB C 428 40.746 40.746 41.284 -0.538 17741 7602 1 13 . 1 1 98 98 ASP H H 428 8.488 8.488 7.537 0.951 17741 7603 1 13 . 1 1 99 99 ARG N N 429 119.821 119.821 118.012 1.809 17741 7604 1 13 . 1 1 99 99 ARG HA H 429 4.277 4.277 4.214 0.063 17741 7605 1 13 . 1 1 99 99 ARG C C 429 177.078 177.078 178.919 -1.841 17741 7606 1 13 . 1 1 99 99 ARG CA C 429 56.984 56.984 58.893 -1.909 17741 7607 1 13 . 1 1 99 99 ARG CB C 429 30.224 30.224 30.188 0.036 17741 7608 1 13 . 1 1 99 99 ARG H H 429 8.088 8.088 8.366 -0.278 17741 7609 1 13 . 1 1 100 100 LEU N N 430 120.887 120.887 121.010 -0.123 17741 7610 1 13 . 1 1 100 100 LEU HA H 430 4.176 4.176 4.252 -0.076 17741 7611 1 13 . 1 1 100 100 LEU C C 430 177.732 177.732 178.482 -0.750 17741 7612 1 13 . 1 1 100 100 LEU CA C 430 56.324 56.324 58.017 -1.693 17741 7613 1 13 . 1 1 100 100 LEU CB C 430 42.262 42.262 41.814 0.448 17741 7614 1 13 . 1 1 100 100 LEU H H 430 7.945 7.945 7.994 -0.049 17741 7615 1 13 . 1 1 101 101 GLU N N 431 119.799 119.799 115.846 3.953 17741 7616 1 13 . 1 1 101 101 GLU HA H 431 4.082 4.082 3.996 0.086 17741 7617 1 13 . 1 1 101 101 GLU C C 431 177.281 177.281 177.580 -0.299 17741 7618 1 13 . 1 1 101 101 GLU CA C 431 58.011 58.011 58.860 -0.849 17741 7619 1 13 . 1 1 101 101 GLU CB C 431 30.191 30.191 29.314 0.877 17741 7620 1 13 . 1 1 101 101 GLU H H 431 8.268 8.268 7.872 0.396 17741 7621 1 13 . 1 1 102 102 HIS N N 432 118.048 118.048 115.369 2.679 17741 7622 1 13 . 1 1 102 102 HIS HA H 432 4.584 4.584 4.589 -0.005 17741 7623 1 13 . 1 1 102 102 HIS C C 432 175.678 175.678 177.602 -1.924 17741 7624 1 13 . 1 1 102 102 HIS CA C 432 56.571 56.571 58.451 -1.880 17741 7625 1 13 . 1 1 102 102 HIS CB C 432 29.352 29.352 30.836 -1.484 17741 7626 1 13 . 1 1 102 102 HIS H H 432 8.166 8.166 7.981 0.185 17741 7627 1 13 . 1 1 103 103 LEU N N 433 122.228 122.228 119.126 3.102 17741 7628 1 13 . 1 1 103 103 LEU HA H 433 4.176 4.176 4.419 -0.243 17741 7629 1 13 . 1 1 103 103 LEU C C 433 177.904 177.904 178.883 -0.979 17741 7630 1 13 . 1 1 103 103 LEU CA C 433 56.237 56.237 57.645 -1.408 17741 7631 1 13 . 1 1 103 103 LEU CB C 433 42.305 42.305 41.771 0.534 17741 7632 1 13 . 1 1 103 103 LEU H H 433 8.072 8.072 7.593 0.479 17741 7633 1 13 . 1 1 104 104 GLU N N 434 119.413 119.413 117.654 1.759 17741 7634 1 13 . 1 1 104 104 GLU HA H 434 4.309 4.309 4.308 0.002 17741 7635 1 13 . 1 1 104 104 GLU C C 434 176.560 176.560 177.201 -0.641 17741 7636 1 13 . 1 1 104 104 GLU CA C 434 57.098 57.098 57.984 -0.886 17741 7637 1 13 . 1 1 104 104 GLU CB C 434 30.301 30.301 29.130 1.171 17741 7638 1 13 . 1 1 104 104 GLU H H 434 8.331 8.331 8.446 -0.115 17741 7639 1 13 . 1 1 105 105 SER N N 435 115.859 115.859 111.266 4.593 17741 7640 1 13 . 1 1 105 105 SER HA H 435 4.443 4.443 4.382 0.061 17741 7641 1 13 . 1 1 105 105 SER C C 435 173.630 173.630 175.040 -1.410 17741 7642 1 13 . 1 1 105 105 SER CA C 435 58.591 58.591 58.681 -0.090 17741 7643 1 13 . 1 1 105 105 SER CB C 435 64.066 64.066 63.262 0.804 17741 7644 1 13 . 1 1 105 105 SER H H 435 7.976 7.976 7.389 0.587 17741 7645 1 14 . 1 1 5 5 ARG N N 335 123.531 123.531 121.168 2.363 17741 7646 1 14 . 1 1 5 5 ARG HA H 335 4.411 4.411 4.310 0.101 17741 7647 1 14 . 1 1 5 5 ARG C C 335 176.473 176.473 176.983 -0.510 17741 7648 1 14 . 1 1 5 5 ARG CA C 335 56.571 56.571 56.032 0.539 17741 7649 1 14 . 1 1 5 5 ARG CB C 335 31.352 31.352 30.038 1.314 17741 7650 1 14 . 1 1 5 5 ARG H H 335 9.347 9.347 8.758 0.589 17741 7651 1 14 . 1 1 6 6 LEU N N 336 121.545 121.545 123.020 -1.475 17741 7652 1 14 . 1 1 6 6 LEU HA H 336 4.293 4.293 4.263 0.030 17741 7653 1 14 . 1 1 6 6 LEU C C 336 178.837 178.837 178.089 0.748 17741 7654 1 14 . 1 1 6 6 LEU CA C 336 54.652 54.652 55.304 -0.652 17741 7655 1 14 . 1 1 6 6 LEU CB C 336 43.365 43.365 41.845 1.520 17741 7656 1 14 . 1 1 6 6 LEU H H 336 8.556 8.556 8.117 0.439 17741 7657 1 14 . 1 1 7 7 LEU HA H 337 3.441 3.441 2.860 0.581 17741 7658 1 14 . 1 1 7 7 LEU C C 337 177.908 177.908 178.244 -0.336 17741 7659 1 14 . 1 1 7 7 LEU CA C 337 58.771 58.771 58.386 0.385 17741 7660 1 14 . 1 1 7 7 LEU CB C 337 40.192 40.192 41.547 -1.355 17741 7661 1 14 . 1 1 8 8 TRP N N 338 114.624 114.624 116.648 -2.024 17741 7662 1 14 . 1 1 8 8 TRP HA H 338 3.785 3.785 4.269 -0.484 17741 7663 1 14 . 1 1 8 8 TRP C C 338 175.318 175.318 177.701 -2.383 17741 7664 1 14 . 1 1 8 8 TRP CA C 338 59.891 59.891 59.781 0.110 17741 7665 1 14 . 1 1 8 8 TRP CB C 338 28.359 28.359 28.132 0.227 17741 7666 1 14 . 1 1 8 8 TRP H H 338 7.515 7.515 7.226 0.289 17741 7667 1 14 . 1 1 9 9 ASP HA H 339 3.813 3.813 4.257 -0.444 17741 7668 1 14 . 1 1 9 9 ASP C C 339 177.355 177.355 177.748 -0.393 17741 7669 1 14 . 1 1 9 9 ASP CA C 339 56.291 56.291 57.011 -0.720 17741 7670 1 14 . 1 1 9 9 ASP CB C 339 41.591 41.591 40.282 1.310 17741 7671 1 14 . 1 1 10 10 TYR N N 340 120.906 120.906 120.147 0.759 17741 7672 1 14 . 1 1 10 10 TYR HA H 340 3.897 3.897 4.082 -0.185 17741 7673 1 14 . 1 1 10 10 TYR C C 340 177.011 177.011 177.268 -0.257 17741 7674 1 14 . 1 1 10 10 TYR CA C 340 61.913 61.913 60.836 1.077 17741 7675 1 14 . 1 1 10 10 TYR CB C 340 39.482 39.482 38.710 0.772 17741 7676 1 14 . 1 1 10 10 TYR H H 340 8.005 8.005 7.848 0.157 17741 7677 1 14 . 1 1 11 11 VAL N N 341 115.016 115.016 118.075 -3.059 17741 7678 1 14 . 1 1 11 11 VAL HA H 341 2.992 2.992 3.151 -0.159 17741 7679 1 14 . 1 1 11 11 VAL C C 341 176.751 176.751 177.020 -0.269 17741 7680 1 14 . 1 1 11 11 VAL CA C 341 66.910 66.910 66.322 0.588 17741 7681 1 14 . 1 1 11 11 VAL CB C 341 30.968 30.968 30.914 0.054 17741 7682 1 14 . 1 1 11 11 VAL H H 341 8.287 8.287 7.909 0.378 17741 7683 1 14 . 1 1 12 12 TYR N N 342 119.030 119.030 119.630 -0.600 17741 7684 1 14 . 1 1 12 12 TYR HA H 342 3.641 3.641 3.837 -0.196 17741 7685 1 14 . 1 1 12 12 TYR C C 342 178.659 178.659 177.820 0.839 17741 7686 1 14 . 1 1 12 12 TYR CA C 342 63.010 63.010 62.369 0.641 17741 7687 1 14 . 1 1 12 12 TYR CB C 342 38.212 38.212 37.571 0.641 17741 7688 1 14 . 1 1 12 12 TYR H H 342 7.673 7.673 7.738 -0.065 17741 7689 1 14 . 1 1 13 13 GLN N N 343 119.113 119.113 118.820 0.293 17741 7690 1 14 . 1 1 13 13 GLN HA H 343 3.828 3.828 4.108 -0.280 17741 7691 1 14 . 1 1 13 13 GLN C C 343 179.955 179.955 178.042 1.913 17741 7692 1 14 . 1 1 13 13 GLN CA C 343 58.871 58.871 58.404 0.467 17741 7693 1 14 . 1 1 13 13 GLN CB C 343 27.514 27.514 27.877 -0.363 17741 7694 1 14 . 1 1 13 13 GLN H H 343 8.161 8.161 7.607 0.554 17741 7695 1 14 . 1 1 14 14 LEU N N 344 121.401 121.401 119.676 1.725 17741 7696 1 14 . 1 1 14 14 LEU HA H 344 3.611 3.611 3.985 -0.374 17741 7697 1 14 . 1 1 14 14 LEU C C 344 179.789 179.789 179.376 0.413 17741 7698 1 14 . 1 1 14 14 LEU CA C 344 58.043 58.043 56.994 1.049 17741 7699 1 14 . 1 1 14 14 LEU CB C 344 41.598 41.598 41.443 0.155 17741 7700 1 14 . 1 1 14 14 LEU H H 344 7.825 7.825 7.512 0.313 17741 7701 1 14 . 1 1 15 15 LEU N N 345 116.853 116.853 119.173 -2.320 17741 7702 1 14 . 1 1 15 15 LEU HA H 345 3.504 3.504 3.830 -0.326 17741 7703 1 14 . 1 1 15 15 LEU C C 345 178.149 178.149 178.750 -0.601 17741 7704 1 14 . 1 1 15 15 LEU CA C 345 56.473 56.473 56.235 0.238 17741 7705 1 14 . 1 1 15 15 LEU CB C 345 41.322 41.322 40.370 0.952 17741 7706 1 14 . 1 1 15 15 LEU H H 345 7.503 7.503 8.216 -0.713 17741 7707 1 14 . 1 1 16 16 SER N N 346 112.491 112.491 111.598 0.893 17741 7708 1 14 . 1 1 16 16 SER HA H 346 4.522 4.522 4.584 -0.062 17741 7709 1 14 . 1 1 16 16 SER C C 346 172.441 172.441 173.985 -1.544 17741 7710 1 14 . 1 1 16 16 SER CA C 346 58.859 58.859 59.373 -0.514 17741 7711 1 14 . 1 1 16 16 SER CB C 346 63.987 63.987 63.820 0.167 17741 7712 1 14 . 1 1 16 16 SER H H 346 7.277 7.277 7.441 -0.164 17741 7713 1 14 . 1 1 17 17 ASP N N 347 122.161 122.161 119.444 2.717 17741 7714 1 14 . 1 1 17 17 ASP HA H 347 4.966 4.966 4.895 0.071 17741 7715 1 14 . 1 1 17 17 ASP C C 347 175.692 175.692 176.860 -1.168 17741 7716 1 14 . 1 1 17 17 ASP CA C 347 52.805 52.805 52.947 -0.142 17741 7717 1 14 . 1 1 17 17 ASP CB C 347 43.392 43.392 43.196 0.196 17741 7718 1 14 . 1 1 17 17 ASP H H 347 7.345 7.345 7.330 0.015 17741 7719 1 14 . 1 1 18 18 SER N N 348 120.164 120.164 122.675 -2.511 17741 7720 1 14 . 1 1 18 18 SER HA H 348 4.356 4.356 4.189 0.167 17741 7721 1 14 . 1 1 18 18 SER C C 348 176.200 176.200 176.289 -0.089 17741 7722 1 14 . 1 1 18 18 SER CA C 348 61.207 61.207 61.032 0.175 17741 7723 1 14 . 1 1 18 18 SER CB C 348 63.226 63.226 63.049 0.177 17741 7724 1 14 . 1 1 18 18 SER H H 348 8.686 8.686 8.898 -0.212 17741 7725 1 14 . 1 1 19 19 ARG N N 349 122.701 122.701 120.037 2.664 17741 7726 1 14 . 1 1 19 19 ARG HA H 349 4.105 4.105 3.905 0.200 17741 7727 1 14 . 1 1 19 19 ARG C C 349 178.120 178.120 176.561 1.559 17741 7728 1 14 . 1 1 19 19 ARG CA C 349 58.604 58.604 58.047 0.557 17741 7729 1 14 . 1 1 19 19 ARG CB C 349 29.854 29.854 29.369 0.485 17741 7730 1 14 . 1 1 19 19 ARG H H 349 8.597 8.597 8.299 0.298 17741 7731 1 14 . 1 1 20 20 TYR N N 350 116.257 116.257 116.111 0.146 17741 7732 1 14 . 1 1 20 20 TYR HA H 350 4.884 4.884 4.745 0.139 17741 7733 1 14 . 1 1 20 20 TYR C C 350 176.977 176.977 175.471 1.506 17741 7734 1 14 . 1 1 20 20 TYR CA C 350 58.758 58.758 56.565 2.193 17741 7735 1 14 . 1 1 20 20 TYR CB C 350 37.602 37.602 38.088 -0.486 17741 7736 1 14 . 1 1 20 20 TYR H H 350 8.285 8.285 7.520 0.765 17741 7737 1 14 . 1 1 21 21 GLU N N 351 120.807 120.807 121.241 -0.434 17741 7738 1 14 . 1 1 21 21 GLU HA H 351 4.454 4.454 4.338 0.116 17741 7739 1 14 . 1 1 21 21 GLU C C 351 176.277 176.277 177.439 -1.162 17741 7740 1 14 . 1 1 21 21 GLU CA C 351 59.135 59.135 58.683 0.452 17741 7741 1 14 . 1 1 21 21 GLU CB C 351 29.674 29.674 28.882 0.792 17741 7742 1 14 . 1 1 21 21 GLU H H 351 7.527 7.527 7.857 -0.330 17741 7743 1 14 . 1 1 22 22 ASN N N 352 114.501 114.501 116.536 -2.035 17741 7744 1 14 . 1 1 22 22 ASN HA H 352 4.471 4.471 4.531 -0.060 17741 7745 1 14 . 1 1 22 22 ASN C C 352 174.426 174.426 175.799 -1.373 17741 7746 1 14 . 1 1 22 22 ASN CA C 352 54.002 54.002 54.862 -0.860 17741 7747 1 14 . 1 1 22 22 ASN CB C 352 36.943 36.943 38.687 -1.744 17741 7748 1 14 . 1 1 22 22 ASN H H 352 8.647 8.647 8.102 0.545 17741 7749 1 14 . 1 1 23 23 PHE N N 353 115.528 115.528 116.098 -0.570 17741 7750 1 14 . 1 1 23 23 PHE HA H 353 4.751 4.751 4.776 -0.025 17741 7751 1 14 . 1 1 23 23 PHE C C 353 176.374 176.374 175.828 0.546 17741 7752 1 14 . 1 1 23 23 PHE CA C 353 59.617 59.617 57.755 1.862 17741 7753 1 14 . 1 1 23 23 PHE CB C 353 41.431 41.431 41.000 0.431 17741 7754 1 14 . 1 1 23 23 PHE H H 353 8.578 8.578 7.702 0.876 17741 7755 1 14 . 1 1 24 24 ILE N N 354 120.520 120.520 118.549 1.971 17741 7756 1 14 . 1 1 24 24 ILE HA H 354 5.063 5.063 4.997 0.066 17741 7757 1 14 . 1 1 24 24 ILE C C 354 170.331 170.331 172.930 -2.599 17741 7758 1 14 . 1 1 24 24 ILE CA C 354 59.835 59.835 60.737 -0.902 17741 7759 1 14 . 1 1 24 24 ILE CB C 354 40.605 40.605 41.971 -1.366 17741 7760 1 14 . 1 1 24 24 ILE H H 354 8.436 8.436 8.592 -0.156 17741 7761 1 14 . 1 1 25 25 ARG N N 355 121.401 121.401 121.152 0.249 17741 7762 1 14 . 1 1 25 25 ARG HA H 355 4.916 4.916 4.843 0.073 17741 7763 1 14 . 1 1 25 25 ARG C C 355 175.099 175.099 174.081 1.018 17741 7764 1 14 . 1 1 25 25 ARG CA C 355 54.461 54.461 54.936 -0.475 17741 7765 1 14 . 1 1 25 25 ARG CB C 355 33.662 33.662 33.771 -0.109 17741 7766 1 14 . 1 1 25 25 ARG H H 355 8.668 8.668 9.098 -0.430 17741 7767 1 14 . 1 1 26 26 TRP N N 356 122.022 122.022 123.978 -1.956 17741 7768 1 14 . 1 1 26 26 TRP HA H 356 4.894 4.894 4.845 0.049 17741 7769 1 14 . 1 1 26 26 TRP C C 356 176.606 176.606 176.933 -0.327 17741 7770 1 14 . 1 1 26 26 TRP CA C 356 57.835 57.835 57.737 0.098 17741 7771 1 14 . 1 1 26 26 TRP CB C 356 30.564 30.564 29.741 0.824 17741 7772 1 14 . 1 1 26 26 TRP H H 356 9.149 9.149 9.039 0.110 17741 7773 1 14 . 1 1 27 27 GLU N N 357 125.415 125.415 123.158 2.257 17741 7774 1 14 . 1 1 27 27 GLU HA H 357 4.686 4.686 4.468 0.218 17741 7775 1 14 . 1 1 27 27 GLU C C 357 176.709 176.709 176.491 0.218 17741 7776 1 14 . 1 1 27 27 GLU CA C 357 56.939 56.939 57.772 -0.833 17741 7777 1 14 . 1 1 27 27 GLU CB C 357 31.545 31.545 30.921 0.624 17741 7778 1 14 . 1 1 27 27 GLU H H 357 9.524 9.524 9.122 0.402 17741 7779 1 14 . 1 1 28 28 ASP N N 358 116.214 116.214 121.018 -4.804 17741 7780 1 14 . 1 1 28 28 ASP HA H 358 4.759 4.759 4.954 -0.195 17741 7781 1 14 . 1 1 28 28 ASP C C 358 176.124 176.124 175.558 0.566 17741 7782 1 14 . 1 1 28 28 ASP CA C 358 53.481 53.481 54.047 -0.566 17741 7783 1 14 . 1 1 28 28 ASP CB C 358 41.921 41.921 41.918 0.003 17741 7784 1 14 . 1 1 28 28 ASP H H 358 7.828 7.828 8.438 -0.610 17741 7785 1 14 . 1 1 29 29 LYS N N 359 127.750 127.750 124.281 3.469 17741 7786 1 14 . 1 1 29 29 LYS HA H 359 3.162 3.162 2.773 0.389 17741 7787 1 14 . 1 1 29 29 LYS C C 359 178.683 178.683 177.046 1.637 17741 7788 1 14 . 1 1 29 29 LYS CA C 359 60.173 60.173 59.594 0.579 17741 7789 1 14 . 1 1 29 29 LYS CB C 359 32.728 32.728 31.984 0.744 17741 7790 1 14 . 1 1 29 29 LYS H H 359 9.221 9.221 8.643 0.578 17741 7791 1 14 . 1 1 30 30 GLU N N 360 119.608 119.608 115.306 4.302 17741 7792 1 14 . 1 1 30 30 GLU HA H 360 3.923 3.923 4.110 -0.187 17741 7793 1 14 . 1 1 30 30 GLU C C 360 178.598 178.598 178.216 0.382 17741 7794 1 14 . 1 1 30 30 GLU CA C 360 59.512 59.512 58.340 1.172 17741 7795 1 14 . 1 1 30 30 GLU CB C 360 29.188 29.188 29.047 0.141 17741 7796 1 14 . 1 1 30 30 GLU H H 360 8.343 8.343 8.711 -0.368 17741 7797 1 14 . 1 1 31 31 SER N N 361 113.313 113.313 114.155 -0.842 17741 7798 1 14 . 1 1 31 31 SER HA H 361 4.485 4.485 4.549 -0.064 17741 7799 1 14 . 1 1 31 31 SER C C 361 172.284 172.284 173.573 -1.289 17741 7800 1 14 . 1 1 31 31 SER CA C 361 58.745 58.745 57.523 1.222 17741 7801 1 14 . 1 1 31 31 SER CB C 361 63.728 63.728 63.921 -0.193 17741 7802 1 14 . 1 1 31 31 SER H H 361 7.466 7.466 7.524 -0.058 17741 7803 1 14 . 1 1 32 32 LYS N N 362 115.197 115.197 117.508 -2.311 17741 7804 1 14 . 1 1 32 32 LYS HA H 362 3.894 3.894 3.897 -0.003 17741 7805 1 14 . 1 1 32 32 LYS C C 362 175.489 175.489 174.708 0.781 17741 7806 1 14 . 1 1 32 32 LYS CA C 362 57.641 57.641 57.126 0.515 17741 7807 1 14 . 1 1 32 32 LYS CB C 362 29.811 29.811 29.545 0.266 17741 7808 1 14 . 1 1 32 32 LYS H H 362 7.741 7.741 7.638 0.103 17741 7809 1 14 . 1 1 33 33 ILE N N 363 118.359 118.359 119.514 -1.155 17741 7810 1 14 . 1 1 33 33 ILE HA H 363 5.356 5.356 5.221 0.135 17741 7811 1 14 . 1 1 33 33 ILE C C 363 177.019 177.019 175.736 1.283 17741 7812 1 14 . 1 1 33 33 ILE CA C 363 60.455 60.455 60.855 -0.400 17741 7813 1 14 . 1 1 33 33 ILE CB C 363 40.081 40.081 39.857 0.224 17741 7814 1 14 . 1 1 33 33 ILE H H 363 8.268 8.268 8.362 -0.094 17741 7815 1 14 . 1 1 34 34 PHE N N 364 128.287 128.287 125.071 3.216 17741 7816 1 14 . 1 1 34 34 PHE HA H 364 5.576 5.576 5.694 -0.118 17741 7817 1 14 . 1 1 34 34 PHE C C 364 170.447 170.447 172.955 -2.508 17741 7818 1 14 . 1 1 34 34 PHE CA C 364 55.128 55.128 55.528 -0.400 17741 7819 1 14 . 1 1 34 34 PHE CB C 364 44.010 44.010 42.922 1.088 17741 7820 1 14 . 1 1 34 34 PHE H H 364 9.962 9.962 9.390 0.572 17741 7821 1 14 . 1 1 35 35 ARG N N 365 120.900 120.900 121.410 -0.510 17741 7822 1 14 . 1 1 35 35 ARG HA H 365 5.486 5.486 5.064 0.422 17741 7823 1 14 . 1 1 35 35 ARG C C 365 176.462 176.462 175.214 1.248 17741 7824 1 14 . 1 1 35 35 ARG CA C 365 53.609 53.609 53.846 -0.237 17741 7825 1 14 . 1 1 35 35 ARG CB C 365 36.518 36.518 33.328 3.191 17741 7826 1 14 . 1 1 35 35 ARG H H 365 9.427 9.427 9.336 0.091 17741 7827 1 14 . 1 1 36 36 ILE N N 366 125.534 125.534 127.692 -2.158 17741 7828 1 14 . 1 1 36 36 ILE HA H 366 4.209 4.209 4.212 -0.003 17741 7829 1 14 . 1 1 36 36 ILE C C 366 173.899 173.899 175.419 -1.520 17741 7830 1 14 . 1 1 36 36 ILE CA C 366 63.033 63.033 62.346 0.687 17741 7831 1 14 . 1 1 36 36 ILE CB C 366 37.889 37.889 37.999 -0.110 17741 7832 1 14 . 1 1 36 36 ILE H H 366 8.643 8.643 8.999 -0.356 17741 7833 1 14 . 1 1 37 37 VAL N N 367 129.194 129.194 128.813 0.381 17741 7834 1 14 . 1 1 37 37 VAL HA H 367 3.679 3.679 3.924 -0.245 17741 7835 1 14 . 1 1 37 37 VAL C C 367 175.919 175.919 176.109 -0.190 17741 7836 1 14 . 1 1 37 37 VAL CA C 367 64.068 64.068 64.460 -0.392 17741 7837 1 14 . 1 1 37 37 VAL CB C 367 32.884 32.884 32.511 0.373 17741 7838 1 14 . 1 1 37 37 VAL H H 367 7.841 7.841 8.539 -0.698 17741 7839 1 14 . 1 1 38 38 ASP N N 368 114.969 114.969 116.658 -1.689 17741 7840 1 14 . 1 1 38 38 ASP HA H 368 5.222 5.222 5.049 0.173 17741 7841 1 14 . 1 1 38 38 ASP C C 368 173.227 173.227 174.522 -1.295 17741 7842 1 14 . 1 1 38 38 ASP CA C 368 50.238 50.238 51.350 -1.112 17741 7843 1 14 . 1 1 38 38 ASP CB C 368 42.181 42.181 42.223 -0.042 17741 7844 1 14 . 1 1 38 38 ASP H H 368 7.316 7.316 7.981 -0.665 17741 7845 1 14 . 1 1 39 39 PRO HA H 369 3.809 3.809 4.128 -0.319 17741 7846 1 14 . 1 1 39 39 PRO C C 369 177.958 177.958 178.391 -0.433 17741 7847 1 14 . 1 1 39 39 PRO CA C 369 65.612 65.612 65.274 0.338 17741 7848 1 14 . 1 1 39 39 PRO CB C 369 31.068 31.068 31.716 -0.648 17741 7849 1 14 . 1 1 40 40 ASN N N 370 115.480 115.480 117.314 -1.834 17741 7850 1 14 . 1 1 40 40 ASN HA H 370 4.604 4.604 4.461 0.143 17741 7851 1 14 . 1 1 40 40 ASN C C 370 178.566 178.566 177.438 1.128 17741 7852 1 14 . 1 1 40 40 ASN CA C 370 56.471 56.471 55.783 0.688 17741 7853 1 14 . 1 1 40 40 ASN CB C 370 38.068 38.068 38.220 -0.152 17741 7854 1 14 . 1 1 40 40 ASN H H 370 8.094 8.094 8.444 -0.350 17741 7855 1 14 . 1 1 41 41 GLY N N 371 111.371 111.371 107.911 3.460 17741 7856 1 14 . 1 1 41 41 GLY C C 371 176.018 176.018 175.653 0.365 17741 7857 1 14 . 1 1 41 41 GLY CA C 371 47.862 47.862 46.183 1.679 17741 7858 1 14 . 1 1 41 41 GLY H H 371 8.632 8.632 8.348 0.284 17741 7859 1 14 . 1 1 42 42 LEU N N 372 122.901 122.901 122.361 0.540 17741 7860 1 14 . 1 1 42 42 LEU HA H 372 4.035 4.035 4.229 -0.194 17741 7861 1 14 . 1 1 42 42 LEU C C 372 177.704 177.704 178.598 -0.894 17741 7862 1 14 . 1 1 42 42 LEU CA C 372 57.913 57.913 57.058 0.855 17741 7863 1 14 . 1 1 42 42 LEU CB C 372 42.136 42.136 41.320 0.816 17741 7864 1 14 . 1 1 42 42 LEU H H 372 8.876 8.876 7.786 1.090 17741 7865 1 14 . 1 1 43 43 ALA N N 373 120.103 120.103 121.912 -1.809 17741 7866 1 14 . 1 1 43 43 ALA HA H 373 4.462 4.462 4.215 0.247 17741 7867 1 14 . 1 1 43 43 ALA C C 373 179.091 179.091 179.174 -0.083 17741 7868 1 14 . 1 1 43 43 ALA CA C 373 55.441 55.441 55.288 0.153 17741 7869 1 14 . 1 1 43 43 ALA CB C 373 18.098 18.098 18.627 -0.529 17741 7870 1 14 . 1 1 43 43 ALA H H 373 8.062 8.062 8.617 -0.555 17741 7871 1 14 . 1 1 44 44 ARG N N 374 118.071 118.071 118.925 -0.854 17741 7872 1 14 . 1 1 44 44 ARG HA H 374 4.117 4.117 4.105 0.012 17741 7873 1 14 . 1 1 44 44 ARG C C 374 179.414 179.414 178.234 1.180 17741 7874 1 14 . 1 1 44 44 ARG CA C 374 59.297 59.297 59.030 0.267 17741 7875 1 14 . 1 1 44 44 ARG CB C 374 30.069 30.069 29.768 0.301 17741 7876 1 14 . 1 1 44 44 ARG H H 374 7.725 7.725 7.732 -0.007 17741 7877 1 14 . 1 1 45 45 LEU N N 375 121.601 121.601 121.672 -0.071 17741 7878 1 14 . 1 1 45 45 LEU HA H 375 4.015 4.015 4.189 -0.174 17741 7879 1 14 . 1 1 45 45 LEU C C 375 180.087 180.087 178.886 1.201 17741 7880 1 14 . 1 1 45 45 LEU CA C 375 58.553 58.553 58.204 0.349 17741 7881 1 14 . 1 1 45 45 LEU CB C 375 41.495 41.495 41.298 0.197 17741 7882 1 14 . 1 1 45 45 LEU H H 375 7.877 7.877 7.549 0.328 17741 7883 1 14 . 1 1 46 46 TRP N N 376 121.543 121.543 121.150 0.393 17741 7884 1 14 . 1 1 46 46 TRP HA H 376 4.333 4.333 3.830 0.503 17741 7885 1 14 . 1 1 46 46 TRP C C 376 177.572 177.572 178.380 -0.808 17741 7886 1 14 . 1 1 46 46 TRP CA C 376 59.091 59.091 59.317 -0.226 17741 7887 1 14 . 1 1 46 46 TRP CB C 376 30.305 30.305 29.586 0.719 17741 7888 1 14 . 1 1 46 46 TRP H H 376 8.615 8.615 8.663 -0.048 17741 7889 1 14 . 1 1 47 47 GLY N N 377 105.532 105.532 105.861 -0.329 17741 7890 1 14 . 1 1 47 47 GLY C C 377 176.057 176.057 176.096 -0.039 17741 7891 1 14 . 1 1 47 47 GLY CA C 377 48.035 48.035 46.905 1.130 17741 7892 1 14 . 1 1 47 47 GLY H H 377 8.877 8.877 8.781 0.096 17741 7893 1 14 . 1 1 48 48 ASN N N 378 119.996 119.996 120.655 -0.659 17741 7894 1 14 . 1 1 48 48 ASN HA H 378 4.403 4.403 4.359 0.044 17741 7895 1 14 . 1 1 48 48 ASN C C 378 178.112 178.112 177.331 0.781 17741 7896 1 14 . 1 1 48 48 ASN CA C 378 56.229 56.229 56.498 -0.269 17741 7897 1 14 . 1 1 48 48 ASN CB C 378 38.272 38.272 38.531 -0.259 17741 7898 1 14 . 1 1 48 48 ASN H H 378 8.176 8.176 8.229 -0.053 17741 7899 1 14 . 1 1 49 49 HIS N N 379 121.459 121.459 119.329 2.130 17741 7900 1 14 . 1 1 49 49 HIS HA H 379 4.129 4.129 4.315 -0.186 17741 7901 1 14 . 1 1 49 49 HIS C C 379 175.858 175.858 176.466 -0.608 17741 7902 1 14 . 1 1 49 49 HIS CA C 379 59.234 59.234 58.679 0.555 17741 7903 1 14 . 1 1 49 49 HIS CB C 379 29.473 29.473 29.596 -0.124 17741 7904 1 14 . 1 1 49 49 HIS H H 379 8.138 8.138 8.396 -0.258 17741 7905 1 14 . 1 1 50 50 LYS N N 380 115.130 115.130 115.325 -0.195 17741 7906 1 14 . 1 1 50 50 LYS HA H 380 3.797 3.797 4.085 -0.288 17741 7907 1 14 . 1 1 50 50 LYS C C 380 175.468 175.468 175.684 -0.216 17741 7908 1 14 . 1 1 50 50 LYS CA C 380 54.085 54.085 55.972 -1.887 17741 7909 1 14 . 1 1 50 50 LYS CB C 380 30.887 30.887 32.884 -1.997 17741 7910 1 14 . 1 1 50 50 LYS H H 380 7.552 7.552 7.268 0.284 17741 7911 1 14 . 1 1 51 51 ASN N N 381 116.632 116.632 115.810 0.822 17741 7912 1 14 . 1 1 51 51 ASN HA H 381 4.264 4.264 4.276 -0.012 17741 7913 1 14 . 1 1 51 51 ASN C C 381 174.332 174.332 173.871 0.461 17741 7914 1 14 . 1 1 51 51 ASN CA C 381 54.189 54.189 54.062 0.127 17741 7915 1 14 . 1 1 51 51 ASN CB C 381 37.343 37.343 37.363 -0.020 17741 7916 1 14 . 1 1 51 51 ASN H H 381 7.715 7.715 7.748 -0.033 17741 7917 1 14 . 1 1 52 52 ARG N N 382 117.701 117.701 117.752 -0.051 17741 7918 1 14 . 1 1 52 52 ARG HA H 382 4.583 4.583 4.697 -0.114 17741 7919 1 14 . 1 1 52 52 ARG C C 382 176.172 176.172 176.126 0.046 17741 7920 1 14 . 1 1 52 52 ARG CA C 382 54.167 54.167 53.872 0.295 17741 7921 1 14 . 1 1 52 52 ARG CB C 382 31.882 31.882 31.735 0.147 17741 7922 1 14 . 1 1 52 52 ARG H H 382 8.465 8.465 8.299 0.166 17741 7923 1 14 . 1 1 53 53 THR N N 383 114.338 114.338 118.238 -3.900 17741 7924 1 14 . 1 1 53 53 THR HA H 383 4.208 4.208 4.137 0.071 17741 7925 1 14 . 1 1 53 53 THR C C 383 174.496 174.496 175.661 -1.165 17741 7926 1 14 . 1 1 53 53 THR CA C 383 62.345 62.345 65.034 -2.689 17741 7927 1 14 . 1 1 53 53 THR CB C 383 69.699 69.699 68.937 0.762 17741 7928 1 14 . 1 1 53 53 THR H H 383 8.274 8.274 8.612 -0.338 17741 7929 1 14 . 1 1 54 54 ASN N N 384 119.031 119.031 121.717 -2.686 17741 7930 1 14 . 1 1 54 54 ASN HA H 384 4.607 4.607 4.775 -0.168 17741 7931 1 14 . 1 1 54 54 ASN C C 384 174.829 174.829 173.410 1.419 17741 7932 1 14 . 1 1 54 54 ASN CA C 384 53.155 53.155 52.553 0.602 17741 7933 1 14 . 1 1 54 54 ASN CB C 384 37.871 37.871 37.679 0.192 17741 7934 1 14 . 1 1 54 54 ASN H H 384 8.457 8.457 8.385 0.072 17741 7935 1 14 . 1 1 55 55 MET N N 385 119.922 119.922 121.074 -1.152 17741 7936 1 14 . 1 1 55 55 MET HA H 385 4.558 4.558 4.703 -0.145 17741 7937 1 14 . 1 1 55 55 MET C C 385 174.921 174.921 173.985 0.936 17741 7938 1 14 . 1 1 55 55 MET CA C 385 55.271 55.271 53.498 1.773 17741 7939 1 14 . 1 1 55 55 MET CB C 385 30.991 30.991 33.519 -2.528 17741 7940 1 14 . 1 1 55 55 MET H H 385 8.073 8.073 7.546 0.527 17741 7941 1 14 . 1 1 56 56 THR N N 386 113.771 113.771 119.284 -5.513 17741 7942 1 14 . 1 1 56 56 THR HA H 386 4.693 4.693 4.583 0.110 17741 7943 1 14 . 1 1 56 56 THR C C 386 175.459 175.459 175.139 0.320 17741 7944 1 14 . 1 1 56 56 THR CA C 386 59.043 59.043 59.532 -0.489 17741 7945 1 14 . 1 1 56 56 THR CB C 386 72.393 72.393 71.125 1.268 17741 7946 1 14 . 1 1 56 56 THR H H 386 7.076 7.076 8.151 -1.075 17741 7947 1 14 . 1 1 57 57 TYR N N 387 123.521 123.521 122.473 1.048 17741 7948 1 14 . 1 1 57 57 TYR HA H 387 4.127 4.127 4.207 -0.080 17741 7949 1 14 . 1 1 57 57 TYR C C 387 177.432 177.432 177.466 -0.034 17741 7950 1 14 . 1 1 57 57 TYR CA C 387 62.527 62.527 61.358 1.169 17741 7951 1 14 . 1 1 57 57 TYR CB C 387 37.289 37.289 38.469 -1.180 17741 7952 1 14 . 1 1 57 57 TYR H H 387 9.726 9.726 8.869 0.857 17741 7953 1 14 . 1 1 58 58 GLU N N 388 121.083 121.083 119.476 1.607 17741 7954 1 14 . 1 1 58 58 GLU HA H 388 3.825 3.825 3.797 0.028 17741 7955 1 14 . 1 1 58 58 GLU C C 388 179.225 179.225 178.879 0.346 17741 7956 1 14 . 1 1 58 58 GLU CA C 388 60.476 60.476 60.469 0.007 17741 7957 1 14 . 1 1 58 58 GLU CB C 388 29.087 29.087 29.115 -0.028 17741 7958 1 14 . 1 1 58 58 GLU H H 388 8.843 8.843 8.835 0.008 17741 7959 1 14 . 1 1 59 59 LYS N N 389 119.209 119.209 118.769 0.440 17741 7960 1 14 . 1 1 59 59 LYS HA H 389 3.971 3.971 3.967 0.004 17741 7961 1 14 . 1 1 59 59 LYS C C 389 179.944 179.944 178.957 0.987 17741 7962 1 14 . 1 1 59 59 LYS CA C 389 59.897 59.897 58.943 0.954 17741 7963 1 14 . 1 1 59 59 LYS CB C 389 33.359 33.359 32.099 1.260 17741 7964 1 14 . 1 1 59 59 LYS H H 389 7.605 7.605 7.414 0.191 17741 7965 1 14 . 1 1 60 60 MET N N 390 122.401 122.401 120.699 1.702 17741 7966 1 14 . 1 1 60 60 MET HA H 390 3.944 3.944 3.837 0.107 17741 7967 1 14 . 1 1 60 60 MET C C 390 177.716 177.716 177.251 0.465 17741 7968 1 14 . 1 1 60 60 MET CA C 390 59.547 59.547 59.215 0.332 17741 7969 1 14 . 1 1 60 60 MET CB C 390 33.315 33.315 32.315 1.000 17741 7970 1 14 . 1 1 60 60 MET H H 390 8.229 8.229 7.867 0.362 17741 7971 1 14 . 1 1 61 61 SER N N 391 114.652 114.652 114.633 0.019 17741 7972 1 14 . 1 1 61 61 SER HA H 391 3.771 3.771 3.695 0.076 17741 7973 1 14 . 1 1 61 61 SER C C 391 176.449 176.449 176.303 0.146 17741 7974 1 14 . 1 1 61 61 SER CA C 391 61.554 61.554 61.138 0.416 17741 7975 1 14 . 1 1 61 61 SER CB C 391 62.278 62.278 62.668 -0.390 17741 7976 1 14 . 1 1 61 61 SER H H 391 8.829 8.829 8.296 0.533 17741 7977 1 14 . 1 1 62 62 ARG N N 392 122.213 122.213 120.462 1.751 17741 7978 1 14 . 1 1 62 62 ARG HA H 392 3.945 3.945 3.859 0.086 17741 7979 1 14 . 1 1 62 62 ARG C C 392 178.600 178.600 178.339 0.261 17741 7980 1 14 . 1 1 62 62 ARG CA C 392 59.571 59.571 58.360 1.211 17741 7981 1 14 . 1 1 62 62 ARG CB C 392 29.914 29.914 29.203 0.711 17741 7982 1 14 . 1 1 62 62 ARG H H 392 7.413 7.413 7.683 -0.270 17741 7983 1 14 . 1 1 63 63 ALA N N 393 122.327 122.327 122.086 0.241 17741 7984 1 14 . 1 1 63 63 ALA HA H 393 4.157 4.157 3.731 0.426 17741 7985 1 14 . 1 1 63 63 ALA C C 393 180.147 180.147 179.307 0.840 17741 7986 1 14 . 1 1 63 63 ALA CA C 393 54.749 54.749 54.587 0.162 17741 7987 1 14 . 1 1 63 63 ALA CB C 393 18.529 18.529 17.704 0.825 17741 7988 1 14 . 1 1 63 63 ALA H H 393 7.256 7.256 7.410 -0.154 17741 7989 1 14 . 1 1 64 64 LEU N N 394 117.582 117.582 117.971 -0.389 17741 7990 1 14 . 1 1 64 64 LEU HA H 394 3.769 3.769 3.422 0.347 17741 7991 1 14 . 1 1 64 64 LEU C C 394 178.139 178.139 178.758 -0.619 17741 7992 1 14 . 1 1 64 64 LEU CA C 394 58.012 58.012 57.310 0.702 17741 7993 1 14 . 1 1 64 64 LEU CB C 394 41.396 41.396 41.076 0.320 17741 7994 1 14 . 1 1 64 64 LEU H H 394 7.768 7.768 7.933 -0.165 17741 7995 1 14 . 1 1 65 65 ARG N N 395 116.204 116.204 116.812 -0.608 17741 7996 1 14 . 1 1 65 65 ARG HA H 395 3.445 3.445 3.376 0.069 17741 7997 1 14 . 1 1 65 65 ARG C C 395 179.423 179.423 179.001 0.422 17741 7998 1 14 . 1 1 65 65 ARG CA C 395 58.829 58.829 57.573 1.256 17741 7999 1 14 . 1 1 65 65 ARG CB C 395 29.776 29.776 28.842 0.934 17741 8000 1 14 . 1 1 65 65 ARG H H 395 7.595 7.595 8.065 -0.470 17741 8001 1 14 . 1 1 66 66 HIS N N 396 118.573 118.573 119.606 -1.033 17741 8002 1 14 . 1 1 66 66 HIS HA H 396 4.401 4.401 4.353 0.048 17741 8003 1 14 . 1 1 66 66 HIS C C 396 177.218 177.218 177.794 -0.576 17741 8004 1 14 . 1 1 66 66 HIS CA C 396 58.821 58.821 59.213 -0.392 17741 8005 1 14 . 1 1 66 66 HIS CB C 396 29.753 29.753 29.951 -0.198 17741 8006 1 14 . 1 1 66 66 HIS H H 396 7.362 7.362 7.657 -0.295 17741 8007 1 14 . 1 1 67 67 TYR N N 397 115.773 115.773 119.304 -3.531 17741 8008 1 14 . 1 1 67 67 TYR HA H 397 4.259 4.259 4.101 0.158 17741 8009 1 14 . 1 1 67 67 TYR C C 397 178.802 178.802 178.273 0.529 17741 8010 1 14 . 1 1 67 67 TYR CA C 397 60.329 60.329 59.779 0.550 17741 8011 1 14 . 1 1 67 67 TYR CB C 397 37.379 37.379 36.734 0.645 17741 8012 1 14 . 1 1 67 67 TYR H H 397 7.568 7.568 8.023 -0.455 17741 8013 1 14 . 1 1 68 68 TYR N N 398 121.825 121.825 117.901 3.924 17741 8014 1 14 . 1 1 68 68 TYR HA H 398 5.413 5.413 4.672 0.741 17741 8015 1 14 . 1 1 68 68 TYR C C 398 181.169 181.169 178.820 2.349 17741 8016 1 14 . 1 1 68 68 TYR CA C 398 57.775 57.775 59.558 -1.783 17741 8017 1 14 . 1 1 68 68 TYR CB C 398 36.972 36.972 37.222 -0.250 17741 8018 1 14 . 1 1 68 68 TYR H H 398 8.116 8.116 7.464 0.652 17741 8019 1 14 . 1 1 69 69 LYS N N 399 120.934 120.934 118.689 2.245 17741 8020 1 14 . 1 1 69 69 LYS HA H 399 4.127 4.127 4.149 -0.022 17741 8021 1 14 . 1 1 69 69 LYS C C 399 177.928 177.928 177.901 0.027 17741 8022 1 14 . 1 1 69 69 LYS CA C 399 58.912 58.912 59.023 -0.111 17741 8023 1 14 . 1 1 69 69 LYS CB C 399 32.188 32.188 32.059 0.129 17741 8024 1 14 . 1 1 69 69 LYS H H 399 7.771 7.771 8.189 -0.418 17741 8025 1 14 . 1 1 70 70 LEU N N 400 116.022 116.022 116.510 -0.488 17741 8026 1 14 . 1 1 70 70 LEU HA H 400 4.291 4.291 4.355 -0.064 17741 8027 1 14 . 1 1 70 70 LEU C C 400 175.827 175.827 176.462 -0.635 17741 8028 1 14 . 1 1 70 70 LEU CA C 400 54.675 54.675 54.329 0.346 17741 8029 1 14 . 1 1 70 70 LEU CB C 400 43.081 43.081 40.957 2.124 17741 8030 1 14 . 1 1 70 70 LEU H H 400 7.144 7.144 7.619 -0.475 17741 8031 1 14 . 1 1 71 71 ASN N N 401 115.201 115.201 116.235 -1.034 17741 8032 1 14 . 1 1 71 71 ASN HA H 401 4.352 4.352 4.382 -0.030 17741 8033 1 14 . 1 1 71 71 ASN C C 401 173.517 173.517 174.308 -0.791 17741 8034 1 14 . 1 1 71 71 ASN CA C 401 54.602 54.602 54.438 0.164 17741 8035 1 14 . 1 1 71 71 ASN CB C 401 37.381 37.381 37.213 0.168 17741 8036 1 14 . 1 1 71 71 ASN H H 401 8.047 8.047 7.686 0.361 17741 8037 1 14 . 1 1 72 72 ILE N N 402 113.907 113.907 114.789 -0.882 17741 8038 1 14 . 1 1 72 72 ILE HA H 402 4.059 4.059 4.108 -0.049 17741 8039 1 14 . 1 1 72 72 ILE C C 402 176.279 176.279 175.370 0.909 17741 8040 1 14 . 1 1 72 72 ILE CA C 402 63.797 63.797 62.297 1.500 17741 8041 1 14 . 1 1 72 72 ILE CB C 402 40.395 40.395 40.217 0.178 17741 8042 1 14 . 1 1 72 72 ILE H H 402 7.986 7.986 8.383 -0.397 17741 8043 1 14 . 1 1 73 73 ILE N N 403 116.766 116.766 116.584 0.182 17741 8044 1 14 . 1 1 73 73 ILE HA H 403 5.042 5.042 4.648 0.394 17741 8045 1 14 . 1 1 73 73 ILE C C 403 173.945 173.945 174.425 -0.480 17741 8046 1 14 . 1 1 73 73 ILE CA C 403 59.247 59.247 59.495 -0.248 17741 8047 1 14 . 1 1 73 73 ILE CB C 403 43.414 43.414 41.678 1.736 17741 8048 1 14 . 1 1 73 73 ILE H H 403 7.042 7.042 7.174 -0.132 17741 8049 1 14 . 1 1 74 74 ARG N N 404 123.256 123.256 121.598 1.658 17741 8050 1 14 . 1 1 74 74 ARG HA H 404 4.751 4.751 4.510 0.241 17741 8051 1 14 . 1 1 74 74 ARG C C 404 174.757 174.757 173.751 1.006 17741 8052 1 14 . 1 1 74 74 ARG CA C 404 54.274 54.274 54.500 -0.226 17741 8053 1 14 . 1 1 74 74 ARG CB C 404 34.492 34.492 33.519 0.973 17741 8054 1 14 . 1 1 74 74 ARG H H 404 8.931 8.931 9.324 -0.393 17741 8055 1 14 . 1 1 75 75 LYS N N 405 125.627 125.627 121.453 4.174 17741 8056 1 14 . 1 1 75 75 LYS HA H 405 4.076 4.076 4.380 -0.304 17741 8057 1 14 . 1 1 75 75 LYS C C 405 176.481 176.481 176.112 0.369 17741 8058 1 14 . 1 1 75 75 LYS CA C 405 56.446 56.446 54.165 2.281 17741 8059 1 14 . 1 1 75 75 LYS CB C 405 32.758 32.758 33.763 -1.005 17741 8060 1 14 . 1 1 75 75 LYS H H 405 8.294 8.294 8.163 0.131 17741 8061 1 14 . 1 1 76 76 GLU N N 406 128.187 128.187 125.756 2.431 17741 8062 1 14 . 1 1 76 76 GLU HA H 406 4.447 4.447 4.454 -0.007 17741 8063 1 14 . 1 1 76 76 GLU C C 406 174.401 174.401 175.054 -0.653 17741 8064 1 14 . 1 1 76 76 GLU CA C 406 53.751 53.751 53.470 0.281 17741 8065 1 14 . 1 1 76 76 GLU CB C 406 29.951 29.951 28.093 1.858 17741 8066 1 14 . 1 1 76 76 GLU H H 406 8.016 8.016 8.181 -0.165 17741 8067 1 14 . 1 1 77 77 PRO HA H 407 4.288 4.288 4.348 -0.060 17741 8068 1 14 . 1 1 77 77 PRO C C 407 177.654 177.654 176.986 0.668 17741 8069 1 14 . 1 1 77 77 PRO CA C 407 63.433 63.433 62.977 0.456 17741 8070 1 14 . 1 1 77 77 PRO CB C 407 32.152 32.152 30.941 1.211 17741 8071 1 14 . 1 1 78 78 GLY N N 408 109.679 109.679 113.337 -3.658 17741 8072 1 14 . 1 1 78 78 GLY C C 408 173.976 173.976 174.230 -0.254 17741 8073 1 14 . 1 1 78 78 GLY CA C 408 45.539 45.539 44.862 0.677 17741 8074 1 14 . 1 1 78 78 GLY H H 408 8.514 8.514 8.539 -0.025 17741 8075 1 14 . 1 1 79 79 GLN N N 409 116.897 116.897 118.868 -1.971 17741 8076 1 14 . 1 1 79 79 GLN HA H 409 4.489 4.489 4.555 -0.066 17741 8077 1 14 . 1 1 79 79 GLN C C 409 175.371 175.371 175.301 0.070 17741 8078 1 14 . 1 1 79 79 GLN CA C 409 54.472 54.472 54.739 -0.267 17741 8079 1 14 . 1 1 79 79 GLN CB C 409 31.301 31.301 29.961 1.340 17741 8080 1 14 . 1 1 79 79 GLN H H 409 7.572 7.572 8.810 -1.238 17741 8081 1 14 . 1 1 80 80 ARG N N 410 120.458 120.458 118.665 1.793 17741 8082 1 14 . 1 1 80 80 ARG HA H 410 4.275 4.275 4.362 -0.087 17741 8083 1 14 . 1 1 80 80 ARG C C 410 176.227 176.227 177.144 -0.917 17741 8084 1 14 . 1 1 80 80 ARG CA C 410 56.891 56.891 57.481 -0.590 17741 8085 1 14 . 1 1 80 80 ARG CB C 410 31.475 31.475 29.930 1.546 17741 8086 1 14 . 1 1 80 80 ARG H H 410 8.254 8.254 8.509 -0.255 17741 8087 1 14 . 1 1 81 81 LEU N N 411 119.424 119.424 121.565 -2.141 17741 8088 1 14 . 1 1 81 81 LEU HA H 411 4.048 4.048 4.617 -0.569 17741 8089 1 14 . 1 1 81 81 LEU C C 411 173.277 173.277 175.369 -2.092 17741 8090 1 14 . 1 1 81 81 LEU CA C 411 55.111 55.111 53.532 1.579 17741 8091 1 14 . 1 1 81 81 LEU CB C 411 40.298 40.298 41.276 -0.978 17741 8092 1 14 . 1 1 81 81 LEU H H 411 8.467 8.467 8.087 0.380 17741 8093 1 14 . 1 1 82 82 LEU N N 412 119.126 119.126 121.692 -2.566 17741 8094 1 14 . 1 1 82 82 LEU HA H 412 5.036 5.036 4.781 0.255 17741 8095 1 14 . 1 1 82 82 LEU C C 412 175.323 175.323 174.824 0.499 17741 8096 1 14 . 1 1 82 82 LEU CA C 412 53.175 53.175 53.554 -0.379 17741 8097 1 14 . 1 1 82 82 LEU CB C 412 45.482 45.482 43.235 2.247 17741 8098 1 14 . 1 1 82 82 LEU H H 412 6.769 6.769 7.213 -0.444 17741 8099 1 14 . 1 1 83 83 PHE N N 413 122.107 122.107 123.214 -1.107 17741 8100 1 14 . 1 1 83 83 PHE HA H 413 4.848 4.848 4.828 0.020 17741 8101 1 14 . 1 1 83 83 PHE C C 413 172.764 172.764 173.524 -0.760 17741 8102 1 14 . 1 1 83 83 PHE CA C 413 55.848 55.848 56.346 -0.498 17741 8103 1 14 . 1 1 83 83 PHE CB C 413 44.675 44.675 43.117 1.558 17741 8104 1 14 . 1 1 83 83 PHE H H 413 8.648 8.648 8.992 -0.344 17741 8105 1 14 . 1 1 84 84 ARG N N 414 119.466 119.466 121.456 -1.990 17741 8106 1 14 . 1 1 84 84 ARG HA H 414 5.578 5.578 5.215 0.363 17741 8107 1 14 . 1 1 84 84 ARG C C 414 177.476 177.476 175.103 2.373 17741 8108 1 14 . 1 1 84 84 ARG CA C 414 54.198 54.198 54.216 -0.018 17741 8109 1 14 . 1 1 84 84 ARG CB C 414 36.128 36.128 33.261 2.867 17741 8110 1 14 . 1 1 84 84 ARG H H 414 9.117 9.117 8.874 0.243 17741 8111 1 14 . 1 1 85 85 PHE N N 415 124.357 124.357 126.485 -2.128 17741 8112 1 14 . 1 1 85 85 PHE HA H 415 5.037 5.037 4.823 0.214 17741 8113 1 14 . 1 1 85 85 PHE C C 415 176.084 176.084 175.711 0.373 17741 8114 1 14 . 1 1 85 85 PHE CA C 415 59.719 59.719 59.914 -0.195 17741 8115 1 14 . 1 1 85 85 PHE CB C 415 40.812 40.812 39.387 1.425 17741 8116 1 14 . 1 1 85 85 PHE H H 415 8.984 8.984 9.441 -0.457 17741 8117 1 14 . 1 1 86 86 MET N N 416 121.301 121.301 123.197 -1.896 17741 8118 1 14 . 1 1 86 86 MET HA H 416 4.670 4.670 4.350 0.320 17741 8119 1 14 . 1 1 86 86 MET C C 416 176.543 176.543 176.757 -0.214 17741 8120 1 14 . 1 1 86 86 MET CA C 416 54.863 54.863 57.081 -2.218 17741 8121 1 14 . 1 1 86 86 MET CB C 416 31.711 31.711 32.538 -0.827 17741 8122 1 14 . 1 1 86 86 MET H H 416 8.671 8.671 8.375 0.296 17741 8123 1 14 . 1 1 87 87 LYS N N 417 117.759 117.759 117.807 -0.048 17741 8124 1 14 . 1 1 87 87 LYS HA H 417 4.856 4.856 4.682 0.174 17741 8125 1 14 . 1 1 87 87 LYS C C 417 175.445 175.445 175.082 0.363 17741 8126 1 14 . 1 1 87 87 LYS CA C 417 54.550 54.550 54.642 -0.092 17741 8127 1 14 . 1 1 87 87 LYS CB C 417 37.828 37.828 36.272 1.556 17741 8128 1 14 . 1 1 87 87 LYS H H 417 7.656 7.656 7.760 -0.104 17741 8129 1 14 . 1 1 88 88 THR N N 418 112.506 112.506 112.026 0.480 17741 8130 1 14 . 1 1 88 88 THR HA H 418 4.372 4.372 4.854 -0.482 17741 8131 1 14 . 1 1 88 88 THR C C 418 173.594 173.594 173.755 -0.161 17741 8132 1 14 . 1 1 88 88 THR CA C 418 59.640 59.640 59.262 0.378 17741 8133 1 14 . 1 1 88 88 THR CB C 418 68.065 68.065 68.746 -0.681 17741 8134 1 14 . 1 1 88 88 THR H H 418 8.685 8.685 8.148 0.537 17741 8135 1 14 . 1 1 89 89 PRO HA H 419 3.748 3.748 3.996 -0.248 17741 8136 1 14 . 1 1 89 89 PRO C C 419 177.219 177.219 178.683 -1.464 17741 8137 1 14 . 1 1 89 89 PRO CA C 419 65.592 65.592 66.538 -0.946 17741 8138 1 14 . 1 1 89 89 PRO CB C 419 31.739 31.739 31.892 -0.153 17741 8139 1 14 . 1 1 90 90 ASP N N 420 114.631 114.631 114.791 -0.160 17741 8140 1 14 . 1 1 90 90 ASP HA H 420 4.265 4.265 4.409 -0.144 17741 8141 1 14 . 1 1 90 90 ASP C C 420 177.962 177.962 177.597 0.365 17741 8142 1 14 . 1 1 90 90 ASP CA C 420 56.371 56.371 56.818 -0.447 17741 8143 1 14 . 1 1 90 90 ASP CB C 420 40.662 40.662 40.601 0.061 17741 8144 1 14 . 1 1 90 90 ASP H H 420 7.962 7.962 8.536 -0.574 17741 8145 1 14 . 1 1 91 91 GLU N N 421 119.501 119.501 117.869 1.632 17741 8146 1 14 . 1 1 91 91 GLU HA H 421 4.043 4.043 4.190 -0.147 17741 8147 1 14 . 1 1 91 91 GLU C C 421 178.599 178.599 178.719 -0.120 17741 8148 1 14 . 1 1 91 91 GLU CA C 421 58.113 58.113 58.318 -0.205 17741 8149 1 14 . 1 1 91 91 GLU CB C 421 30.721 30.721 29.936 0.785 17741 8150 1 14 . 1 1 91 91 GLU H H 421 7.661 7.661 7.855 -0.194 17741 8151 1 14 . 1 1 92 92 ILE N N 422 120.594 120.594 120.861 -0.267 17741 8152 1 14 . 1 1 92 92 ILE HA H 422 3.641 3.641 3.711 -0.070 17741 8153 1 14 . 1 1 92 92 ILE C C 422 177.752 177.752 177.654 0.098 17741 8154 1 14 . 1 1 92 92 ILE CA C 422 62.931 62.931 64.905 -1.974 17741 8155 1 14 . 1 1 92 92 ILE CB C 422 38.185 38.185 37.717 0.469 17741 8156 1 14 . 1 1 92 92 ILE H H 422 7.861 7.861 8.199 -0.338 17741 8157 1 14 . 1 1 93 93 MET N N 423 119.187 119.187 117.121 2.066 17741 8158 1 14 . 1 1 93 93 MET HA H 423 4.391 4.391 4.529 -0.138 17741 8159 1 14 . 1 1 93 93 MET C C 423 176.982 176.982 176.447 0.535 17741 8160 1 14 . 1 1 93 93 MET CA C 423 56.491 56.491 57.024 -0.533 17741 8161 1 14 . 1 1 93 93 MET CB C 423 32.584 32.584 32.312 0.272 17741 8162 1 14 . 1 1 93 93 MET H H 423 8.158 8.158 7.936 0.222 17741 8163 1 14 . 1 1 94 94 SER N N 424 114.933 114.933 113.717 1.216 17741 8164 1 14 . 1 1 94 94 SER HA H 424 4.394 4.394 4.616 -0.222 17741 8165 1 14 . 1 1 94 94 SER C C 424 175.238 175.238 175.219 0.019 17741 8166 1 14 . 1 1 94 94 SER CA C 424 59.423 59.423 58.176 1.246 17741 8167 1 14 . 1 1 94 94 SER CB C 424 63.695 63.695 63.050 0.645 17741 8168 1 14 . 1 1 94 94 SER H H 424 7.854 7.854 7.608 0.246 17741 8169 1 14 . 1 1 95 95 GLY N N 425 110.045 110.045 110.559 -0.514 17741 8170 1 14 . 1 1 95 95 GLY C C 425 174.194 174.194 174.634 -0.440 17741 8171 1 14 . 1 1 95 95 GLY CA C 425 45.432 45.432 45.428 0.004 17741 8172 1 14 . 1 1 95 95 GLY H H 425 8.061 8.061 8.834 -0.773 17741 8173 1 14 . 1 1 96 96 ARG N N 426 119.987 119.987 119.670 0.317 17741 8174 1 14 . 1 1 96 96 ARG HA H 426 4.475 4.475 4.505 -0.030 17741 8175 1 14 . 1 1 96 96 ARG C C 426 177.308 177.308 177.279 0.029 17741 8176 1 14 . 1 1 96 96 ARG CA C 426 56.195 56.195 57.634 -1.439 17741 8177 1 14 . 1 1 96 96 ARG CB C 426 30.354 30.354 30.506 -0.152 17741 8178 1 14 . 1 1 96 96 ARG H H 426 8.092 8.092 7.776 0.316 17741 8179 1 14 . 1 1 97 97 THR N N 427 114.398 114.398 113.452 0.946 17741 8180 1 14 . 1 1 97 97 THR HA H 427 4.298 4.298 4.665 -0.366 17741 8181 1 14 . 1 1 97 97 THR C C 427 174.913 174.913 174.721 0.192 17741 8182 1 14 . 1 1 97 97 THR CA C 427 62.673 62.673 61.732 0.941 17741 8183 1 14 . 1 1 97 97 THR CB C 427 69.473 69.473 69.351 0.122 17741 8184 1 14 . 1 1 97 97 THR H H 427 8.319 8.319 7.722 0.597 17741 8185 1 14 . 1 1 98 98 ASP N N 428 121.983 121.983 122.827 -0.844 17741 8186 1 14 . 1 1 98 98 ASP HA H 428 4.508 4.508 4.763 -0.255 17741 8187 1 14 . 1 1 98 98 ASP C C 428 176.956 176.956 177.476 -0.520 17741 8188 1 14 . 1 1 98 98 ASP CA C 428 55.433 55.433 57.884 -2.451 17741 8189 1 14 . 1 1 98 98 ASP CB C 428 40.746 40.746 40.450 0.296 17741 8190 1 14 . 1 1 98 98 ASP H H 428 8.488 8.488 8.794 -0.306 17741 8191 1 14 . 1 1 99 99 ARG N N 429 119.821 119.821 117.925 1.896 17741 8192 1 14 . 1 1 99 99 ARG HA H 429 4.277 4.277 4.320 -0.043 17741 8193 1 14 . 1 1 99 99 ARG C C 429 177.078 177.078 177.571 -0.493 17741 8194 1 14 . 1 1 99 99 ARG CA C 429 56.984 56.984 58.026 -1.042 17741 8195 1 14 . 1 1 99 99 ARG CB C 429 30.224 30.224 30.321 -0.097 17741 8196 1 14 . 1 1 99 99 ARG H H 429 8.088 8.088 8.083 0.005 17741 8197 1 14 . 1 1 100 100 LEU N N 430 120.887 120.887 120.140 0.747 17741 8198 1 14 . 1 1 100 100 LEU HA H 430 4.176 4.176 4.270 -0.094 17741 8199 1 14 . 1 1 100 100 LEU C C 430 177.732 177.732 178.752 -1.020 17741 8200 1 14 . 1 1 100 100 LEU CA C 430 56.324 56.324 57.898 -1.574 17741 8201 1 14 . 1 1 100 100 LEU CB C 430 42.262 42.262 41.929 0.333 17741 8202 1 14 . 1 1 100 100 LEU H H 430 7.945 7.945 7.849 0.096 17741 8203 1 14 . 1 1 101 101 GLU N N 431 119.799 119.799 118.727 1.072 17741 8204 1 14 . 1 1 101 101 GLU HA H 431 4.082 4.082 3.968 0.114 17741 8205 1 14 . 1 1 101 101 GLU C C 431 177.281 177.281 178.467 -1.186 17741 8206 1 14 . 1 1 101 101 GLU CA C 431 58.011 58.011 59.733 -1.722 17741 8207 1 14 . 1 1 101 101 GLU CB C 431 30.191 30.191 29.633 0.558 17741 8208 1 14 . 1 1 101 101 GLU H H 431 8.268 8.268 8.057 0.211 17741 8209 1 14 . 1 1 102 102 HIS N N 432 118.048 118.048 114.205 3.843 17741 8210 1 14 . 1 1 102 102 HIS HA H 432 4.584 4.584 4.365 0.219 17741 8211 1 14 . 1 1 102 102 HIS C C 432 175.678 175.678 177.572 -1.894 17741 8212 1 14 . 1 1 102 102 HIS CA C 432 56.571 56.571 58.386 -1.815 17741 8213 1 14 . 1 1 102 102 HIS CB C 432 29.352 29.352 29.700 -0.348 17741 8214 1 14 . 1 1 102 102 HIS H H 432 8.166 8.166 8.307 -0.141 17741 8215 1 14 . 1 1 103 103 LEU N N 433 122.228 122.228 117.935 4.293 17741 8216 1 14 . 1 1 103 103 LEU HA H 433 4.176 4.176 4.493 -0.317 17741 8217 1 14 . 1 1 103 103 LEU C C 433 177.904 177.904 178.439 -0.535 17741 8218 1 14 . 1 1 103 103 LEU CA C 433 56.237 56.237 56.526 -0.289 17741 8219 1 14 . 1 1 103 103 LEU CB C 433 42.305 42.305 41.996 0.309 17741 8220 1 14 . 1 1 103 103 LEU H H 433 8.072 8.072 7.181 0.891 17741 8221 1 14 . 1 1 104 104 GLU N N 434 119.413 119.413 118.587 0.826 17741 8222 1 14 . 1 1 104 104 GLU HA H 434 4.309 4.309 4.276 0.033 17741 8223 1 14 . 1 1 104 104 GLU C C 434 176.560 176.560 177.667 -1.107 17741 8224 1 14 . 1 1 104 104 GLU CA C 434 57.098 57.098 56.856 0.242 17741 8225 1 14 . 1 1 104 104 GLU CB C 434 30.301 30.301 29.068 1.233 17741 8226 1 14 . 1 1 104 104 GLU H H 434 8.331 8.331 8.425 -0.094 17741 8227 1 14 . 1 1 105 105 SER N N 435 115.859 115.859 113.455 2.404 17741 8228 1 14 . 1 1 105 105 SER HA H 435 4.443 4.443 4.372 0.071 17741 8229 1 14 . 1 1 105 105 SER C C 435 173.630 173.630 174.401 -0.771 17741 8230 1 14 . 1 1 105 105 SER CA C 435 58.591 58.591 59.288 -0.697 17741 8231 1 14 . 1 1 105 105 SER CB C 435 64.066 64.066 63.885 0.181 17741 8232 1 14 . 1 1 105 105 SER H H 435 7.976 7.976 7.780 0.196 17741 8233 1 15 . 1 1 5 5 ARG N N 335 123.531 123.531 120.254 3.277 17741 8234 1 15 . 1 1 5 5 ARG HA H 335 4.411 4.411 4.918 -0.507 17741 8235 1 15 . 1 1 5 5 ARG C C 335 176.473 176.473 175.350 1.123 17741 8236 1 15 . 1 1 5 5 ARG CA C 335 56.571 56.571 53.924 2.647 17741 8237 1 15 . 1 1 5 5 ARG CB C 335 31.352 31.352 32.389 -1.038 17741 8238 1 15 . 1 1 5 5 ARG H H 335 9.347 9.347 8.067 1.280 17741 8239 1 15 . 1 1 6 6 LEU N N 336 121.545 121.545 122.474 -0.929 17741 8240 1 15 . 1 1 6 6 LEU HA H 336 4.293 4.293 4.383 -0.090 17741 8241 1 15 . 1 1 6 6 LEU C C 336 178.837 178.837 177.806 1.031 17741 8242 1 15 . 1 1 6 6 LEU CA C 336 54.652 54.652 54.786 -0.134 17741 8243 1 15 . 1 1 6 6 LEU CB C 336 43.365 43.365 42.309 1.056 17741 8244 1 15 . 1 1 6 6 LEU H H 336 8.556 8.556 8.668 -0.112 17741 8245 1 15 . 1 1 7 7 LEU HA H 337 3.441 3.441 2.924 0.517 17741 8246 1 15 . 1 1 7 7 LEU C C 337 177.908 177.908 178.170 -0.262 17741 8247 1 15 . 1 1 7 7 LEU CA C 337 58.771 58.771 58.316 0.455 17741 8248 1 15 . 1 1 7 7 LEU CB C 337 40.192 40.192 41.638 -1.446 17741 8249 1 15 . 1 1 8 8 TRP N N 338 114.624 114.624 117.155 -2.531 17741 8250 1 15 . 1 1 8 8 TRP HA H 338 3.785 3.785 4.281 -0.496 17741 8251 1 15 . 1 1 8 8 TRP C C 338 175.318 175.318 177.656 -2.338 17741 8252 1 15 . 1 1 8 8 TRP CA C 338 59.891 59.891 59.750 0.141 17741 8253 1 15 . 1 1 8 8 TRP CB C 338 28.359 28.359 27.966 0.393 17741 8254 1 15 . 1 1 8 8 TRP H H 338 7.515 7.515 7.548 -0.033 17741 8255 1 15 . 1 1 9 9 ASP HA H 339 3.813 3.813 4.014 -0.201 17741 8256 1 15 . 1 1 9 9 ASP C C 339 177.355 177.355 177.881 -0.526 17741 8257 1 15 . 1 1 9 9 ASP CA C 339 56.291 56.291 56.676 -0.385 17741 8258 1 15 . 1 1 9 9 ASP CB C 339 41.591 41.591 40.025 1.566 17741 8259 1 15 . 1 1 10 10 TYR N N 340 120.906 120.906 120.126 0.780 17741 8260 1 15 . 1 1 10 10 TYR HA H 340 3.897 3.897 4.098 -0.201 17741 8261 1 15 . 1 1 10 10 TYR C C 340 177.011 177.011 177.351 -0.340 17741 8262 1 15 . 1 1 10 10 TYR CA C 340 61.913 61.913 60.969 0.944 17741 8263 1 15 . 1 1 10 10 TYR CB C 340 39.482 39.482 38.763 0.719 17741 8264 1 15 . 1 1 10 10 TYR H H 340 8.005 8.005 7.775 0.230 17741 8265 1 15 . 1 1 11 11 VAL N N 341 115.016 115.016 118.419 -3.403 17741 8266 1 15 . 1 1 11 11 VAL HA H 341 2.992 2.992 3.183 -0.191 17741 8267 1 15 . 1 1 11 11 VAL C C 341 176.751 176.751 177.101 -0.350 17741 8268 1 15 . 1 1 11 11 VAL CA C 341 66.910 66.910 66.337 0.573 17741 8269 1 15 . 1 1 11 11 VAL CB C 341 30.968 30.968 31.005 -0.037 17741 8270 1 15 . 1 1 11 11 VAL H H 341 8.287 8.287 7.837 0.450 17741 8271 1 15 . 1 1 12 12 TYR N N 342 119.030 119.030 119.407 -0.377 17741 8272 1 15 . 1 1 12 12 TYR HA H 342 3.641 3.641 3.842 -0.201 17741 8273 1 15 . 1 1 12 12 TYR C C 342 178.659 178.659 177.803 0.856 17741 8274 1 15 . 1 1 12 12 TYR CA C 342 63.010 63.010 62.465 0.545 17741 8275 1 15 . 1 1 12 12 TYR CB C 342 38.212 38.212 37.619 0.593 17741 8276 1 15 . 1 1 12 12 TYR H H 342 7.673 7.673 8.052 -0.379 17741 8277 1 15 . 1 1 13 13 GLN N N 343 119.113 119.113 118.684 0.429 17741 8278 1 15 . 1 1 13 13 GLN HA H 343 3.828 3.828 4.079 -0.251 17741 8279 1 15 . 1 1 13 13 GLN C C 343 179.955 179.955 177.515 2.440 17741 8280 1 15 . 1 1 13 13 GLN CA C 343 58.871 58.871 58.305 0.566 17741 8281 1 15 . 1 1 13 13 GLN CB C 343 27.514 27.514 27.759 -0.244 17741 8282 1 15 . 1 1 13 13 GLN H H 343 8.161 8.161 7.514 0.647 17741 8283 1 15 . 1 1 14 14 LEU N N 344 121.401 121.401 118.704 2.697 17741 8284 1 15 . 1 1 14 14 LEU HA H 344 3.611 3.611 3.914 -0.303 17741 8285 1 15 . 1 1 14 14 LEU C C 344 179.789 179.789 179.594 0.195 17741 8286 1 15 . 1 1 14 14 LEU CA C 344 58.043 58.043 56.717 1.326 17741 8287 1 15 . 1 1 14 14 LEU CB C 344 41.598 41.598 41.554 0.044 17741 8288 1 15 . 1 1 14 14 LEU H H 344 7.825 7.825 7.421 0.404 17741 8289 1 15 . 1 1 15 15 LEU N N 345 116.853 116.853 119.621 -2.768 17741 8290 1 15 . 1 1 15 15 LEU HA H 345 3.504 3.504 3.880 -0.376 17741 8291 1 15 . 1 1 15 15 LEU C C 345 178.149 178.149 178.711 -0.562 17741 8292 1 15 . 1 1 15 15 LEU CA C 345 56.473 56.473 56.400 0.073 17741 8293 1 15 . 1 1 15 15 LEU CB C 345 41.322 41.322 40.273 1.049 17741 8294 1 15 . 1 1 15 15 LEU H H 345 7.503 7.503 8.197 -0.694 17741 8295 1 15 . 1 1 16 16 SER N N 346 112.491 112.491 111.118 1.373 17741 8296 1 15 . 1 1 16 16 SER HA H 346 4.522 4.522 4.650 -0.128 17741 8297 1 15 . 1 1 16 16 SER C C 346 172.441 172.441 174.041 -1.600 17741 8298 1 15 . 1 1 16 16 SER CA C 346 58.859 58.859 58.529 0.330 17741 8299 1 15 . 1 1 16 16 SER CB C 346 63.987 63.987 63.953 0.034 17741 8300 1 15 . 1 1 16 16 SER H H 346 7.277 7.277 7.486 -0.209 17741 8301 1 15 . 1 1 17 17 ASP N N 347 122.161 122.161 120.746 1.415 17741 8302 1 15 . 1 1 17 17 ASP HA H 347 4.966 4.966 4.926 0.040 17741 8303 1 15 . 1 1 17 17 ASP C C 347 175.692 175.692 176.705 -1.013 17741 8304 1 15 . 1 1 17 17 ASP CA C 347 52.805 52.805 53.122 -0.317 17741 8305 1 15 . 1 1 17 17 ASP CB C 347 43.392 43.392 43.708 -0.316 17741 8306 1 15 . 1 1 17 17 ASP H H 347 7.345 7.345 7.475 -0.130 17741 8307 1 15 . 1 1 18 18 SER N N 348 120.164 120.164 120.851 -0.687 17741 8308 1 15 . 1 1 18 18 SER HA H 348 4.356 4.356 4.261 0.095 17741 8309 1 15 . 1 1 18 18 SER C C 348 176.200 176.200 176.160 0.040 17741 8310 1 15 . 1 1 18 18 SER CA C 348 61.207 61.207 60.873 0.334 17741 8311 1 15 . 1 1 18 18 SER CB C 348 63.226 63.226 63.185 0.041 17741 8312 1 15 . 1 1 18 18 SER H H 348 8.686 8.686 8.771 -0.085 17741 8313 1 15 . 1 1 19 19 ARG N N 349 122.701 122.701 121.362 1.339 17741 8314 1 15 . 1 1 19 19 ARG HA H 349 4.105 4.105 3.931 0.174 17741 8315 1 15 . 1 1 19 19 ARG C C 349 178.120 178.120 176.533 1.587 17741 8316 1 15 . 1 1 19 19 ARG CA C 349 58.604 58.604 57.775 0.829 17741 8317 1 15 . 1 1 19 19 ARG CB C 349 29.854 29.854 29.079 0.775 17741 8318 1 15 . 1 1 19 19 ARG H H 349 8.597 8.597 7.640 0.957 17741 8319 1 15 . 1 1 20 20 TYR N N 350 116.257 116.257 117.079 -0.822 17741 8320 1 15 . 1 1 20 20 TYR HA H 350 4.884 4.884 4.603 0.281 17741 8321 1 15 . 1 1 20 20 TYR C C 350 176.977 176.977 176.430 0.547 17741 8322 1 15 . 1 1 20 20 TYR CA C 350 58.758 58.758 57.038 1.720 17741 8323 1 15 . 1 1 20 20 TYR CB C 350 37.602 37.602 38.662 -1.060 17741 8324 1 15 . 1 1 20 20 TYR H H 350 8.285 8.285 7.324 0.961 17741 8325 1 15 . 1 1 21 21 GLU N N 351 120.807 120.807 121.042 -0.235 17741 8326 1 15 . 1 1 21 21 GLU HA H 351 4.454 4.454 4.348 0.106 17741 8327 1 15 . 1 1 21 21 GLU C C 351 176.277 176.277 177.037 -0.760 17741 8328 1 15 . 1 1 21 21 GLU CA C 351 59.135 59.135 58.538 0.597 17741 8329 1 15 . 1 1 21 21 GLU CB C 351 29.674 29.674 28.953 0.721 17741 8330 1 15 . 1 1 21 21 GLU H H 351 7.527 7.527 7.811 -0.284 17741 8331 1 15 . 1 1 22 22 ASN N N 352 114.501 114.501 115.311 -0.810 17741 8332 1 15 . 1 1 22 22 ASN HA H 352 4.471 4.471 4.573 -0.102 17741 8333 1 15 . 1 1 22 22 ASN C C 352 174.426 174.426 175.682 -1.256 17741 8334 1 15 . 1 1 22 22 ASN CA C 352 54.002 54.002 54.209 -0.207 17741 8335 1 15 . 1 1 22 22 ASN CB C 352 36.943 36.943 38.712 -1.768 17741 8336 1 15 . 1 1 22 22 ASN H H 352 8.647 8.647 7.832 0.815 17741 8337 1 15 . 1 1 23 23 PHE N N 353 115.528 115.528 115.882 -0.354 17741 8338 1 15 . 1 1 23 23 PHE HA H 353 4.751 4.751 4.822 -0.071 17741 8339 1 15 . 1 1 23 23 PHE C C 353 176.374 176.374 175.634 0.740 17741 8340 1 15 . 1 1 23 23 PHE CA C 353 59.617 59.617 58.121 1.496 17741 8341 1 15 . 1 1 23 23 PHE CB C 353 41.431 41.431 41.290 0.141 17741 8342 1 15 . 1 1 23 23 PHE H H 353 8.578 8.578 7.816 0.762 17741 8343 1 15 . 1 1 24 24 ILE N N 354 120.520 120.520 118.646 1.874 17741 8344 1 15 . 1 1 24 24 ILE HA H 354 5.063 5.063 4.988 0.075 17741 8345 1 15 . 1 1 24 24 ILE C C 354 170.331 170.331 172.898 -2.567 17741 8346 1 15 . 1 1 24 24 ILE CA C 354 59.835 59.835 60.688 -0.853 17741 8347 1 15 . 1 1 24 24 ILE CB C 354 40.605 40.605 41.846 -1.241 17741 8348 1 15 . 1 1 24 24 ILE H H 354 8.436 8.436 8.483 -0.047 17741 8349 1 15 . 1 1 25 25 ARG N N 355 121.401 121.401 120.975 0.426 17741 8350 1 15 . 1 1 25 25 ARG HA H 355 4.916 4.916 4.811 0.105 17741 8351 1 15 . 1 1 25 25 ARG C C 355 175.099 175.099 174.096 1.003 17741 8352 1 15 . 1 1 25 25 ARG CA C 355 54.461 54.461 54.938 -0.477 17741 8353 1 15 . 1 1 25 25 ARG CB C 355 33.662 33.662 33.570 0.092 17741 8354 1 15 . 1 1 25 25 ARG H H 355 8.668 8.668 8.800 -0.132 17741 8355 1 15 . 1 1 26 26 TRP N N 356 122.022 122.022 123.592 -1.570 17741 8356 1 15 . 1 1 26 26 TRP HA H 356 4.894 4.894 4.881 0.013 17741 8357 1 15 . 1 1 26 26 TRP C C 356 176.606 176.606 177.001 -0.395 17741 8358 1 15 . 1 1 26 26 TRP CA C 356 57.835 57.835 57.729 0.106 17741 8359 1 15 . 1 1 26 26 TRP CB C 356 30.564 30.564 29.648 0.916 17741 8360 1 15 . 1 1 26 26 TRP H H 356 9.149 9.149 9.010 0.139 17741 8361 1 15 . 1 1 27 27 GLU N N 357 125.415 125.415 124.084 1.331 17741 8362 1 15 . 1 1 27 27 GLU HA H 357 4.686 4.686 4.499 0.187 17741 8363 1 15 . 1 1 27 27 GLU C C 357 176.709 176.709 176.659 0.050 17741 8364 1 15 . 1 1 27 27 GLU CA C 357 56.939 56.939 57.858 -0.919 17741 8365 1 15 . 1 1 27 27 GLU CB C 357 31.545 31.545 30.944 0.601 17741 8366 1 15 . 1 1 27 27 GLU H H 357 9.524 9.524 9.064 0.460 17741 8367 1 15 . 1 1 28 28 ASP N N 358 116.214 116.214 120.896 -4.682 17741 8368 1 15 . 1 1 28 28 ASP HA H 358 4.759 4.759 4.925 -0.166 17741 8369 1 15 . 1 1 28 28 ASP C C 358 176.124 176.124 176.094 0.030 17741 8370 1 15 . 1 1 28 28 ASP CA C 358 53.481 53.481 53.486 -0.005 17741 8371 1 15 . 1 1 28 28 ASP CB C 358 41.921 41.921 42.201 -0.280 17741 8372 1 15 . 1 1 28 28 ASP H H 358 7.828 7.828 8.237 -0.409 17741 8373 1 15 . 1 1 29 29 LYS N N 359 127.750 127.750 124.013 3.737 17741 8374 1 15 . 1 1 29 29 LYS HA H 359 3.162 3.162 2.825 0.337 17741 8375 1 15 . 1 1 29 29 LYS C C 359 178.683 178.683 177.386 1.297 17741 8376 1 15 . 1 1 29 29 LYS CA C 359 60.173 60.173 59.900 0.273 17741 8377 1 15 . 1 1 29 29 LYS CB C 359 32.728 32.728 32.218 0.510 17741 8378 1 15 . 1 1 29 29 LYS H H 359 9.221 9.221 8.582 0.639 17741 8379 1 15 . 1 1 30 30 GLU N N 360 119.608 119.608 115.547 4.061 17741 8380 1 15 . 1 1 30 30 GLU HA H 360 3.923 3.923 4.085 -0.162 17741 8381 1 15 . 1 1 30 30 GLU C C 360 178.598 178.598 177.292 1.306 17741 8382 1 15 . 1 1 30 30 GLU CA C 360 59.512 59.512 58.253 1.259 17741 8383 1 15 . 1 1 30 30 GLU CB C 360 29.188 29.188 29.176 0.012 17741 8384 1 15 . 1 1 30 30 GLU H H 360 8.343 8.343 8.633 -0.290 17741 8385 1 15 . 1 1 31 31 SER N N 361 113.313 113.313 113.130 0.183 17741 8386 1 15 . 1 1 31 31 SER HA H 361 4.485 4.485 4.711 -0.226 17741 8387 1 15 . 1 1 31 31 SER C C 361 172.284 172.284 173.611 -1.327 17741 8388 1 15 . 1 1 31 31 SER CA C 361 58.745 58.745 57.557 1.188 17741 8389 1 15 . 1 1 31 31 SER CB C 361 63.728 63.728 63.971 -0.243 17741 8390 1 15 . 1 1 31 31 SER H H 361 7.466 7.466 7.693 -0.227 17741 8391 1 15 . 1 1 32 32 LYS N N 362 115.197 115.197 118.862 -3.665 17741 8392 1 15 . 1 1 32 32 LYS HA H 362 3.894 3.894 3.914 -0.020 17741 8393 1 15 . 1 1 32 32 LYS C C 362 175.489 175.489 174.872 0.617 17741 8394 1 15 . 1 1 32 32 LYS CA C 362 57.641 57.641 57.515 0.126 17741 8395 1 15 . 1 1 32 32 LYS CB C 362 29.811 29.811 29.973 -0.162 17741 8396 1 15 . 1 1 32 32 LYS H H 362 7.741 7.741 7.776 -0.035 17741 8397 1 15 . 1 1 33 33 ILE N N 363 118.359 118.359 119.320 -0.961 17741 8398 1 15 . 1 1 33 33 ILE HA H 363 5.356 5.356 5.066 0.290 17741 8399 1 15 . 1 1 33 33 ILE C C 363 177.019 177.019 175.761 1.258 17741 8400 1 15 . 1 1 33 33 ILE CA C 363 60.455 60.455 61.045 -0.590 17741 8401 1 15 . 1 1 33 33 ILE CB C 363 40.081 40.081 39.706 0.375 17741 8402 1 15 . 1 1 33 33 ILE H H 363 8.268 8.268 8.236 0.032 17741 8403 1 15 . 1 1 34 34 PHE N N 364 128.287 128.287 125.468 2.819 17741 8404 1 15 . 1 1 34 34 PHE HA H 364 5.576 5.576 5.695 -0.119 17741 8405 1 15 . 1 1 34 34 PHE C C 364 170.447 170.447 172.870 -2.423 17741 8406 1 15 . 1 1 34 34 PHE CA C 364 55.128 55.128 55.609 -0.481 17741 8407 1 15 . 1 1 34 34 PHE CB C 364 44.010 44.010 43.069 0.941 17741 8408 1 15 . 1 1 34 34 PHE H H 364 9.962 9.962 9.435 0.527 17741 8409 1 15 . 1 1 35 35 ARG N N 365 120.900 120.900 122.878 -1.978 17741 8410 1 15 . 1 1 35 35 ARG HA H 365 5.486 5.486 5.199 0.287 17741 8411 1 15 . 1 1 35 35 ARG C C 365 176.462 176.462 175.532 0.930 17741 8412 1 15 . 1 1 35 35 ARG CA C 365 53.609 53.609 53.672 -0.063 17741 8413 1 15 . 1 1 35 35 ARG CB C 365 36.518 36.518 33.071 3.447 17741 8414 1 15 . 1 1 35 35 ARG H H 365 9.427 9.427 9.394 0.033 17741 8415 1 15 . 1 1 36 36 ILE N N 366 125.534 125.534 128.254 -2.720 17741 8416 1 15 . 1 1 36 36 ILE HA H 366 4.209 4.209 4.150 0.059 17741 8417 1 15 . 1 1 36 36 ILE C C 366 173.899 173.899 175.458 -1.559 17741 8418 1 15 . 1 1 36 36 ILE CA C 366 63.033 63.033 62.897 0.136 17741 8419 1 15 . 1 1 36 36 ILE CB C 366 37.889 37.889 37.648 0.241 17741 8420 1 15 . 1 1 36 36 ILE H H 366 8.643 8.643 9.113 -0.470 17741 8421 1 15 . 1 1 37 37 VAL N N 367 129.194 129.194 127.948 1.246 17741 8422 1 15 . 1 1 37 37 VAL HA H 367 3.679 3.679 3.968 -0.289 17741 8423 1 15 . 1 1 37 37 VAL C C 367 175.919 175.919 176.413 -0.494 17741 8424 1 15 . 1 1 37 37 VAL CA C 367 64.068 64.068 63.770 0.298 17741 8425 1 15 . 1 1 37 37 VAL CB C 367 32.884 32.884 32.175 0.709 17741 8426 1 15 . 1 1 37 37 VAL H H 367 7.841 7.841 8.280 -0.439 17741 8427 1 15 . 1 1 38 38 ASP N N 368 114.969 114.969 118.680 -3.711 17741 8428 1 15 . 1 1 38 38 ASP HA H 368 5.222 5.222 5.015 0.207 17741 8429 1 15 . 1 1 38 38 ASP C C 368 173.227 173.227 174.600 -1.373 17741 8430 1 15 . 1 1 38 38 ASP CA C 368 50.238 50.238 51.221 -0.983 17741 8431 1 15 . 1 1 38 38 ASP CB C 368 42.181 42.181 42.236 -0.055 17741 8432 1 15 . 1 1 38 38 ASP H H 368 7.316 7.316 7.984 -0.668 17741 8433 1 15 . 1 1 39 39 PRO HA H 369 3.809 3.809 4.119 -0.310 17741 8434 1 15 . 1 1 39 39 PRO C C 369 177.958 177.958 178.410 -0.452 17741 8435 1 15 . 1 1 39 39 PRO CA C 369 65.612 65.612 64.927 0.685 17741 8436 1 15 . 1 1 39 39 PRO CB C 369 31.068 31.068 31.887 -0.819 17741 8437 1 15 . 1 1 40 40 ASN N N 370 115.480 115.480 116.736 -1.256 17741 8438 1 15 . 1 1 40 40 ASN HA H 370 4.604 4.604 4.440 0.164 17741 8439 1 15 . 1 1 40 40 ASN C C 370 178.566 178.566 177.294 1.272 17741 8440 1 15 . 1 1 40 40 ASN CA C 370 56.471 56.471 56.821 -0.350 17741 8441 1 15 . 1 1 40 40 ASN CB C 370 38.068 38.068 38.481 -0.413 17741 8442 1 15 . 1 1 40 40 ASN H H 370 8.094 8.094 8.221 -0.127 17741 8443 1 15 . 1 1 41 41 GLY N N 371 111.371 111.371 108.049 3.322 17741 8444 1 15 . 1 1 41 41 GLY C C 371 176.018 176.018 175.670 0.348 17741 8445 1 15 . 1 1 41 41 GLY CA C 371 47.862 47.862 46.268 1.594 17741 8446 1 15 . 1 1 41 41 GLY H H 371 8.632 8.632 8.253 0.379 17741 8447 1 15 . 1 1 42 42 LEU N N 372 122.901 122.901 122.028 0.873 17741 8448 1 15 . 1 1 42 42 LEU HA H 372 4.035 4.035 4.258 -0.223 17741 8449 1 15 . 1 1 42 42 LEU C C 372 177.704 177.704 178.625 -0.921 17741 8450 1 15 . 1 1 42 42 LEU CA C 372 57.913 57.913 56.963 0.950 17741 8451 1 15 . 1 1 42 42 LEU CB C 372 42.136 42.136 41.368 0.768 17741 8452 1 15 . 1 1 42 42 LEU H H 372 8.876 8.876 7.990 0.886 17741 8453 1 15 . 1 1 43 43 ALA N N 373 120.103 120.103 122.159 -2.056 17741 8454 1 15 . 1 1 43 43 ALA HA H 373 4.462 4.462 4.172 0.290 17741 8455 1 15 . 1 1 43 43 ALA C C 373 179.091 179.091 178.970 0.121 17741 8456 1 15 . 1 1 43 43 ALA CA C 373 55.441 55.441 55.466 -0.025 17741 8457 1 15 . 1 1 43 43 ALA CB C 373 18.098 18.098 18.494 -0.396 17741 8458 1 15 . 1 1 43 43 ALA H H 373 8.062 8.062 8.600 -0.538 17741 8459 1 15 . 1 1 44 44 ARG N N 374 118.071 118.071 118.793 -0.722 17741 8460 1 15 . 1 1 44 44 ARG HA H 374 4.117 4.117 4.071 0.046 17741 8461 1 15 . 1 1 44 44 ARG C C 374 179.414 179.414 178.441 0.973 17741 8462 1 15 . 1 1 44 44 ARG CA C 374 59.297 59.297 58.947 0.350 17741 8463 1 15 . 1 1 44 44 ARG CB C 374 30.069 30.069 29.678 0.391 17741 8464 1 15 . 1 1 44 44 ARG H H 374 7.725 7.725 7.789 -0.064 17741 8465 1 15 . 1 1 45 45 LEU N N 375 121.601 121.601 121.021 0.580 17741 8466 1 15 . 1 1 45 45 LEU HA H 375 4.015 4.015 4.220 -0.205 17741 8467 1 15 . 1 1 45 45 LEU C C 375 180.087 180.087 178.877 1.210 17741 8468 1 15 . 1 1 45 45 LEU CA C 375 58.553 58.553 57.976 0.577 17741 8469 1 15 . 1 1 45 45 LEU CB C 375 41.495 41.495 41.381 0.114 17741 8470 1 15 . 1 1 45 45 LEU H H 375 7.877 7.877 7.416 0.461 17741 8471 1 15 . 1 1 46 46 TRP N N 376 121.543 121.543 121.361 0.182 17741 8472 1 15 . 1 1 46 46 TRP HA H 376 4.333 4.333 3.850 0.483 17741 8473 1 15 . 1 1 46 46 TRP C C 376 177.572 177.572 178.429 -0.857 17741 8474 1 15 . 1 1 46 46 TRP CA C 376 59.091 59.091 59.333 -0.242 17741 8475 1 15 . 1 1 46 46 TRP CB C 376 30.305 30.305 29.706 0.599 17741 8476 1 15 . 1 1 46 46 TRP H H 376 8.615 8.615 8.418 0.197 17741 8477 1 15 . 1 1 47 47 GLY N N 377 105.532 105.532 105.295 0.237 17741 8478 1 15 . 1 1 47 47 GLY C C 377 176.057 176.057 176.076 -0.019 17741 8479 1 15 . 1 1 47 47 GLY CA C 377 48.035 48.035 46.799 1.236 17741 8480 1 15 . 1 1 47 47 GLY H H 377 8.877 8.877 8.907 -0.030 17741 8481 1 15 . 1 1 48 48 ASN N N 378 119.996 119.996 120.737 -0.741 17741 8482 1 15 . 1 1 48 48 ASN HA H 378 4.403 4.403 4.467 -0.064 17741 8483 1 15 . 1 1 48 48 ASN C C 378 178.112 178.112 177.581 0.531 17741 8484 1 15 . 1 1 48 48 ASN CA C 378 56.229 56.229 55.784 0.445 17741 8485 1 15 . 1 1 48 48 ASN CB C 378 38.272 38.272 38.288 -0.016 17741 8486 1 15 . 1 1 48 48 ASN H H 378 8.176 8.176 7.833 0.343 17741 8487 1 15 . 1 1 49 49 HIS N N 379 121.459 121.459 119.174 2.285 17741 8488 1 15 . 1 1 49 49 HIS HA H 379 4.129 4.129 4.338 -0.209 17741 8489 1 15 . 1 1 49 49 HIS C C 379 175.858 175.858 176.331 -0.473 17741 8490 1 15 . 1 1 49 49 HIS CA C 379 59.234 59.234 58.825 0.409 17741 8491 1 15 . 1 1 49 49 HIS CB C 379 29.473 29.473 29.768 -0.295 17741 8492 1 15 . 1 1 49 49 HIS H H 379 8.138 8.138 8.426 -0.288 17741 8493 1 15 . 1 1 50 50 LYS N N 380 115.130 115.130 114.643 0.487 17741 8494 1 15 . 1 1 50 50 LYS HA H 380 3.797 3.797 4.040 -0.243 17741 8495 1 15 . 1 1 50 50 LYS C C 380 175.468 175.468 175.328 0.140 17741 8496 1 15 . 1 1 50 50 LYS CA C 380 54.085 54.085 55.838 -1.753 17741 8497 1 15 . 1 1 50 50 LYS CB C 380 30.887 30.887 32.813 -1.926 17741 8498 1 15 . 1 1 50 50 LYS H H 380 7.552 7.552 7.243 0.309 17741 8499 1 15 . 1 1 51 51 ASN N N 381 116.632 116.632 115.506 1.126 17741 8500 1 15 . 1 1 51 51 ASN HA H 381 4.264 4.264 4.290 -0.026 17741 8501 1 15 . 1 1 51 51 ASN C C 381 174.332 174.332 173.956 0.376 17741 8502 1 15 . 1 1 51 51 ASN CA C 381 54.189 54.189 54.117 0.072 17741 8503 1 15 . 1 1 51 51 ASN CB C 381 37.343 37.343 36.634 0.709 17741 8504 1 15 . 1 1 51 51 ASN H H 381 7.715 7.715 7.866 -0.151 17741 8505 1 15 . 1 1 52 52 ARG N N 382 117.701 117.701 118.471 -0.770 17741 8506 1 15 . 1 1 52 52 ARG HA H 382 4.583 4.583 4.584 -0.001 17741 8507 1 15 . 1 1 52 52 ARG C C 382 176.172 176.172 177.244 -1.072 17741 8508 1 15 . 1 1 52 52 ARG CA C 382 54.167 54.167 54.023 0.144 17741 8509 1 15 . 1 1 52 52 ARG CB C 382 31.882 31.882 30.149 1.733 17741 8510 1 15 . 1 1 52 52 ARG H H 382 8.465 8.465 7.771 0.694 17741 8511 1 15 . 1 1 53 53 THR N N 383 114.338 114.338 120.068 -5.730 17741 8512 1 15 . 1 1 53 53 THR HA H 383 4.208 4.208 4.062 0.146 17741 8513 1 15 . 1 1 53 53 THR C C 383 174.496 174.496 174.713 -0.217 17741 8514 1 15 . 1 1 53 53 THR CA C 383 62.345 62.345 64.848 -2.503 17741 8515 1 15 . 1 1 53 53 THR CB C 383 69.699 69.699 68.993 0.706 17741 8516 1 15 . 1 1 53 53 THR H H 383 8.274 8.274 8.703 -0.429 17741 8517 1 15 . 1 1 54 54 ASN N N 384 119.031 119.031 116.747 2.284 17741 8518 1 15 . 1 1 54 54 ASN HA H 384 4.607 4.607 4.724 -0.117 17741 8519 1 15 . 1 1 54 54 ASN C C 384 174.829 174.829 174.465 0.364 17741 8520 1 15 . 1 1 54 54 ASN CA C 384 53.155 53.155 53.037 0.118 17741 8521 1 15 . 1 1 54 54 ASN CB C 384 37.871 37.871 38.233 -0.362 17741 8522 1 15 . 1 1 54 54 ASN H H 384 8.457 8.457 8.166 0.291 17741 8523 1 15 . 1 1 55 55 MET N N 385 119.922 119.922 121.018 -1.096 17741 8524 1 15 . 1 1 55 55 MET HA H 385 4.558 4.558 4.331 0.227 17741 8525 1 15 . 1 1 55 55 MET C C 385 174.921 174.921 175.294 -0.373 17741 8526 1 15 . 1 1 55 55 MET CA C 385 55.271 55.271 56.156 -0.885 17741 8527 1 15 . 1 1 55 55 MET CB C 385 30.991 30.991 32.606 -1.615 17741 8528 1 15 . 1 1 55 55 MET H H 385 8.073 8.073 7.369 0.704 17741 8529 1 15 . 1 1 56 56 THR N N 386 113.771 113.771 112.968 0.803 17741 8530 1 15 . 1 1 56 56 THR HA H 386 4.693 4.693 4.575 0.118 17741 8531 1 15 . 1 1 56 56 THR C C 386 175.459 175.459 174.591 0.868 17741 8532 1 15 . 1 1 56 56 THR CA C 386 59.043 59.043 60.575 -1.532 17741 8533 1 15 . 1 1 56 56 THR CB C 386 72.393 72.393 71.675 0.718 17741 8534 1 15 . 1 1 56 56 THR H H 386 7.076 7.076 7.850 -0.774 17741 8535 1 15 . 1 1 57 57 TYR N N 387 123.521 123.521 122.252 1.269 17741 8536 1 15 . 1 1 57 57 TYR HA H 387 4.127 4.127 4.268 -0.141 17741 8537 1 15 . 1 1 57 57 TYR C C 387 177.432 177.432 176.851 0.581 17741 8538 1 15 . 1 1 57 57 TYR CA C 387 62.527 62.527 60.902 1.625 17741 8539 1 15 . 1 1 57 57 TYR CB C 387 37.289 37.289 38.710 -1.421 17741 8540 1 15 . 1 1 57 57 TYR H H 387 9.726 9.726 8.802 0.924 17741 8541 1 15 . 1 1 58 58 GLU N N 388 121.083 121.083 119.732 1.351 17741 8542 1 15 . 1 1 58 58 GLU HA H 388 3.825 3.825 3.757 0.068 17741 8543 1 15 . 1 1 58 58 GLU C C 388 179.225 179.225 178.652 0.573 17741 8544 1 15 . 1 1 58 58 GLU CA C 388 60.476 60.476 59.943 0.533 17741 8545 1 15 . 1 1 58 58 GLU CB C 388 29.087 29.087 29.129 -0.042 17741 8546 1 15 . 1 1 58 58 GLU H H 388 8.843 8.843 7.994 0.849 17741 8547 1 15 . 1 1 59 59 LYS N N 389 119.209 119.209 118.332 0.877 17741 8548 1 15 . 1 1 59 59 LYS HA H 389 3.971 3.971 4.012 -0.041 17741 8549 1 15 . 1 1 59 59 LYS C C 389 179.944 179.944 179.105 0.839 17741 8550 1 15 . 1 1 59 59 LYS CA C 389 59.897 59.897 58.751 1.146 17741 8551 1 15 . 1 1 59 59 LYS CB C 389 33.359 33.359 32.015 1.344 17741 8552 1 15 . 1 1 59 59 LYS H H 389 7.605 7.605 7.503 0.102 17741 8553 1 15 . 1 1 60 60 MET N N 390 122.401 122.401 119.735 2.666 17741 8554 1 15 . 1 1 60 60 MET HA H 390 3.944 3.944 3.975 -0.031 17741 8555 1 15 . 1 1 60 60 MET C C 390 177.716 177.716 177.439 0.277 17741 8556 1 15 . 1 1 60 60 MET CA C 390 59.547 59.547 58.456 1.091 17741 8557 1 15 . 1 1 60 60 MET CB C 390 33.315 33.315 32.407 0.908 17741 8558 1 15 . 1 1 60 60 MET H H 390 8.229 8.229 7.369 0.860 17741 8559 1 15 . 1 1 61 61 SER N N 391 114.652 114.652 115.293 -0.641 17741 8560 1 15 . 1 1 61 61 SER HA H 391 3.771 3.771 3.703 0.068 17741 8561 1 15 . 1 1 61 61 SER C C 391 176.449 176.449 176.281 0.168 17741 8562 1 15 . 1 1 61 61 SER CA C 391 61.554 61.554 61.392 0.162 17741 8563 1 15 . 1 1 61 61 SER CB C 391 62.278 62.278 62.807 -0.529 17741 8564 1 15 . 1 1 61 61 SER H H 391 8.829 8.829 8.148 0.681 17741 8565 1 15 . 1 1 62 62 ARG N N 392 122.213 122.213 120.098 2.115 17741 8566 1 15 . 1 1 62 62 ARG HA H 392 3.945 3.945 3.807 0.138 17741 8567 1 15 . 1 1 62 62 ARG C C 392 178.600 178.600 178.306 0.294 17741 8568 1 15 . 1 1 62 62 ARG CA C 392 59.571 59.571 58.638 0.933 17741 8569 1 15 . 1 1 62 62 ARG CB C 392 29.914 29.914 29.281 0.633 17741 8570 1 15 . 1 1 62 62 ARG H H 392 7.413 7.413 8.290 -0.877 17741 8571 1 15 . 1 1 63 63 ALA N N 393 122.327 122.327 121.468 0.859 17741 8572 1 15 . 1 1 63 63 ALA HA H 393 4.157 4.157 3.724 0.433 17741 8573 1 15 . 1 1 63 63 ALA C C 393 180.147 180.147 179.107 1.040 17741 8574 1 15 . 1 1 63 63 ALA CA C 393 54.749 54.749 54.537 0.212 17741 8575 1 15 . 1 1 63 63 ALA CB C 393 18.529 18.529 17.846 0.683 17741 8576 1 15 . 1 1 63 63 ALA H H 393 7.256 7.256 7.246 0.010 17741 8577 1 15 . 1 1 64 64 LEU N N 394 117.582 117.582 117.790 -0.208 17741 8578 1 15 . 1 1 64 64 LEU HA H 394 3.769 3.769 3.466 0.303 17741 8579 1 15 . 1 1 64 64 LEU C C 394 178.139 178.139 178.716 -0.577 17741 8580 1 15 . 1 1 64 64 LEU CA C 394 58.012 58.012 57.194 0.818 17741 8581 1 15 . 1 1 64 64 LEU CB C 394 41.396 41.396 41.162 0.234 17741 8582 1 15 . 1 1 64 64 LEU H H 394 7.768 7.768 7.453 0.315 17741 8583 1 15 . 1 1 65 65 ARG N N 395 116.204 116.204 117.034 -0.830 17741 8584 1 15 . 1 1 65 65 ARG HA H 395 3.445 3.445 3.395 0.050 17741 8585 1 15 . 1 1 65 65 ARG C C 395 179.423 179.423 179.465 -0.042 17741 8586 1 15 . 1 1 65 65 ARG CA C 395 58.829 58.829 58.251 0.578 17741 8587 1 15 . 1 1 65 65 ARG CB C 395 29.776 29.776 29.283 0.493 17741 8588 1 15 . 1 1 65 65 ARG H H 395 7.595 7.595 8.230 -0.635 17741 8589 1 15 . 1 1 66 66 HIS N N 396 118.573 118.573 120.909 -2.336 17741 8590 1 15 . 1 1 66 66 HIS HA H 396 4.401 4.401 4.397 0.004 17741 8591 1 15 . 1 1 66 66 HIS C C 396 177.218 177.218 177.333 -0.115 17741 8592 1 15 . 1 1 66 66 HIS CA C 396 58.821 58.821 58.855 -0.035 17741 8593 1 15 . 1 1 66 66 HIS CB C 396 29.753 29.753 29.678 0.075 17741 8594 1 15 . 1 1 66 66 HIS H H 396 7.362 7.362 7.717 -0.355 17741 8595 1 15 . 1 1 67 67 TYR N N 397 115.773 115.773 119.075 -3.302 17741 8596 1 15 . 1 1 67 67 TYR HA H 397 4.259 4.259 4.005 0.254 17741 8597 1 15 . 1 1 67 67 TYR C C 397 178.802 178.802 178.072 0.730 17741 8598 1 15 . 1 1 67 67 TYR CA C 397 60.329 60.329 59.393 0.936 17741 8599 1 15 . 1 1 67 67 TYR CB C 397 37.379 37.379 36.793 0.586 17741 8600 1 15 . 1 1 67 67 TYR H H 397 7.568 7.568 7.976 -0.408 17741 8601 1 15 . 1 1 68 68 TYR N N 398 121.825 121.825 117.838 3.987 17741 8602 1 15 . 1 1 68 68 TYR HA H 398 5.413 5.413 4.780 0.633 17741 8603 1 15 . 1 1 68 68 TYR C C 398 181.169 181.169 178.278 2.891 17741 8604 1 15 . 1 1 68 68 TYR CA C 398 57.775 57.775 59.220 -1.445 17741 8605 1 15 . 1 1 68 68 TYR CB C 398 36.972 36.972 37.289 -0.317 17741 8606 1 15 . 1 1 68 68 TYR H H 398 8.116 8.116 7.523 0.593 17741 8607 1 15 . 1 1 69 69 LYS N N 399 120.934 120.934 117.083 3.851 17741 8608 1 15 . 1 1 69 69 LYS HA H 399 4.127 4.127 4.150 -0.023 17741 8609 1 15 . 1 1 69 69 LYS C C 399 177.928 177.928 177.896 0.032 17741 8610 1 15 . 1 1 69 69 LYS CA C 399 58.912 58.912 58.757 0.155 17741 8611 1 15 . 1 1 69 69 LYS CB C 399 32.188 32.188 32.253 -0.065 17741 8612 1 15 . 1 1 69 69 LYS H H 399 7.771 7.771 7.707 0.064 17741 8613 1 15 . 1 1 70 70 LEU N N 400 116.022 116.022 117.083 -1.061 17741 8614 1 15 . 1 1 70 70 LEU HA H 400 4.291 4.291 4.318 -0.027 17741 8615 1 15 . 1 1 70 70 LEU C C 400 175.827 175.827 176.119 -0.292 17741 8616 1 15 . 1 1 70 70 LEU CA C 400 54.675 54.675 54.344 0.331 17741 8617 1 15 . 1 1 70 70 LEU CB C 400 43.081 43.081 40.962 2.119 17741 8618 1 15 . 1 1 70 70 LEU H H 400 7.144 7.144 7.448 -0.304 17741 8619 1 15 . 1 1 71 71 ASN N N 401 115.201 115.201 114.584 0.617 17741 8620 1 15 . 1 1 71 71 ASN HA H 401 4.352 4.352 4.384 -0.032 17741 8621 1 15 . 1 1 71 71 ASN C C 401 173.517 173.517 174.675 -1.158 17741 8622 1 15 . 1 1 71 71 ASN CA C 401 54.602 54.602 54.972 -0.370 17741 8623 1 15 . 1 1 71 71 ASN CB C 401 37.381 37.381 37.317 0.064 17741 8624 1 15 . 1 1 71 71 ASN H H 401 8.047 8.047 7.686 0.361 17741 8625 1 15 . 1 1 72 72 ILE N N 402 113.907 113.907 115.918 -2.011 17741 8626 1 15 . 1 1 72 72 ILE HA H 402 4.059 4.059 4.028 0.031 17741 8627 1 15 . 1 1 72 72 ILE C C 402 176.279 176.279 175.503 0.776 17741 8628 1 15 . 1 1 72 72 ILE CA C 402 63.797 63.797 62.523 1.274 17741 8629 1 15 . 1 1 72 72 ILE CB C 402 40.395 40.395 40.022 0.373 17741 8630 1 15 . 1 1 72 72 ILE H H 402 7.986 7.986 8.398 -0.412 17741 8631 1 15 . 1 1 73 73 ILE N N 403 116.766 116.766 115.607 1.159 17741 8632 1 15 . 1 1 73 73 ILE HA H 403 5.042 5.042 4.576 0.466 17741 8633 1 15 . 1 1 73 73 ILE C C 403 173.945 173.945 174.277 -0.332 17741 8634 1 15 . 1 1 73 73 ILE CA C 403 59.247 59.247 59.375 -0.128 17741 8635 1 15 . 1 1 73 73 ILE CB C 403 43.414 43.414 42.059 1.355 17741 8636 1 15 . 1 1 73 73 ILE H H 403 7.042 7.042 7.122 -0.080 17741 8637 1 15 . 1 1 74 74 ARG N N 404 123.256 123.256 122.098 1.158 17741 8638 1 15 . 1 1 74 74 ARG HA H 404 4.751 4.751 4.608 0.143 17741 8639 1 15 . 1 1 74 74 ARG C C 404 174.757 174.757 174.052 0.705 17741 8640 1 15 . 1 1 74 74 ARG CA C 404 54.274 54.274 54.146 0.128 17741 8641 1 15 . 1 1 74 74 ARG CB C 404 34.492 34.492 34.280 0.212 17741 8642 1 15 . 1 1 74 74 ARG H H 404 8.931 8.931 8.912 0.019 17741 8643 1 15 . 1 1 75 75 LYS N N 405 125.627 125.627 121.692 3.935 17741 8644 1 15 . 1 1 75 75 LYS HA H 405 4.076 4.076 4.413 -0.337 17741 8645 1 15 . 1 1 75 75 LYS C C 405 176.481 176.481 176.170 0.311 17741 8646 1 15 . 1 1 75 75 LYS CA C 405 56.446 56.446 53.869 2.577 17741 8647 1 15 . 1 1 75 75 LYS CB C 405 32.758 32.758 33.548 -0.790 17741 8648 1 15 . 1 1 75 75 LYS H H 405 8.294 8.294 8.102 0.192 17741 8649 1 15 . 1 1 76 76 GLU N N 406 128.187 128.187 126.150 2.037 17741 8650 1 15 . 1 1 76 76 GLU HA H 406 4.447 4.447 4.518 -0.071 17741 8651 1 15 . 1 1 76 76 GLU C C 406 174.401 174.401 175.010 -0.609 17741 8652 1 15 . 1 1 76 76 GLU CA C 406 53.751 53.751 53.432 0.319 17741 8653 1 15 . 1 1 76 76 GLU CB C 406 29.951 29.951 28.140 1.811 17741 8654 1 15 . 1 1 76 76 GLU H H 406 8.016 8.016 8.101 -0.085 17741 8655 1 15 . 1 1 77 77 PRO HA H 407 4.288 4.288 4.350 -0.062 17741 8656 1 15 . 1 1 77 77 PRO C C 407 177.654 177.654 176.909 0.745 17741 8657 1 15 . 1 1 77 77 PRO CA C 407 63.433 63.433 63.046 0.387 17741 8658 1 15 . 1 1 77 77 PRO CB C 407 32.152 32.152 31.228 0.924 17741 8659 1 15 . 1 1 78 78 GLY N N 408 109.679 109.679 113.339 -3.660 17741 8660 1 15 . 1 1 78 78 GLY C C 408 173.976 173.976 174.136 -0.160 17741 8661 1 15 . 1 1 78 78 GLY CA C 408 45.539 45.539 44.857 0.682 17741 8662 1 15 . 1 1 78 78 GLY H H 408 8.514 8.514 8.524 -0.010 17741 8663 1 15 . 1 1 79 79 GLN N N 409 116.897 116.897 120.291 -3.394 17741 8664 1 15 . 1 1 79 79 GLN HA H 409 4.489 4.489 4.357 0.132 17741 8665 1 15 . 1 1 79 79 GLN C C 409 175.371 175.371 175.713 -0.342 17741 8666 1 15 . 1 1 79 79 GLN CA C 409 54.472 54.472 54.948 -0.476 17741 8667 1 15 . 1 1 79 79 GLN CB C 409 31.301 31.301 29.566 1.735 17741 8668 1 15 . 1 1 79 79 GLN H H 409 7.572 7.572 8.630 -1.058 17741 8669 1 15 . 1 1 80 80 ARG N N 410 120.458 120.458 119.240 1.218 17741 8670 1 15 . 1 1 80 80 ARG HA H 410 4.275 4.275 4.250 0.025 17741 8671 1 15 . 1 1 80 80 ARG C C 410 176.227 176.227 177.574 -1.347 17741 8672 1 15 . 1 1 80 80 ARG CA C 410 56.891 56.891 58.115 -1.224 17741 8673 1 15 . 1 1 80 80 ARG CB C 410 31.475 31.475 30.350 1.125 17741 8674 1 15 . 1 1 80 80 ARG H H 410 8.254 8.254 8.582 -0.328 17741 8675 1 15 . 1 1 81 81 LEU N N 411 119.424 119.424 119.981 -0.557 17741 8676 1 15 . 1 1 81 81 LEU HA H 411 4.048 4.048 4.510 -0.462 17741 8677 1 15 . 1 1 81 81 LEU C C 411 173.277 173.277 175.215 -1.938 17741 8678 1 15 . 1 1 81 81 LEU CA C 411 55.111 55.111 53.925 1.186 17741 8679 1 15 . 1 1 81 81 LEU CB C 411 40.298 40.298 41.226 -0.928 17741 8680 1 15 . 1 1 81 81 LEU H H 411 8.467 8.467 7.952 0.515 17741 8681 1 15 . 1 1 82 82 LEU N N 412 119.126 119.126 121.846 -2.720 17741 8682 1 15 . 1 1 82 82 LEU HA H 412 5.036 5.036 4.712 0.324 17741 8683 1 15 . 1 1 82 82 LEU C C 412 175.323 175.323 174.548 0.775 17741 8684 1 15 . 1 1 82 82 LEU CA C 412 53.175 53.175 53.485 -0.310 17741 8685 1 15 . 1 1 82 82 LEU CB C 412 45.482 45.482 43.080 2.402 17741 8686 1 15 . 1 1 82 82 LEU H H 412 6.769 6.769 7.120 -0.351 17741 8687 1 15 . 1 1 83 83 PHE N N 413 122.107 122.107 123.812 -1.705 17741 8688 1 15 . 1 1 83 83 PHE HA H 413 4.848 4.848 4.933 -0.085 17741 8689 1 15 . 1 1 83 83 PHE C C 413 172.764 172.764 173.649 -0.885 17741 8690 1 15 . 1 1 83 83 PHE CA C 413 55.848 55.848 56.150 -0.302 17741 8691 1 15 . 1 1 83 83 PHE CB C 413 44.675 44.675 42.963 1.712 17741 8692 1 15 . 1 1 83 83 PHE H H 413 8.648 8.648 8.987 -0.339 17741 8693 1 15 . 1 1 84 84 ARG N N 414 119.466 119.466 121.894 -2.428 17741 8694 1 15 . 1 1 84 84 ARG HA H 414 5.578 5.578 5.295 0.283 17741 8695 1 15 . 1 1 84 84 ARG C C 414 177.476 177.476 175.345 2.131 17741 8696 1 15 . 1 1 84 84 ARG CA C 414 54.198 54.198 54.194 0.004 17741 8697 1 15 . 1 1 84 84 ARG CB C 414 36.128 36.128 33.808 2.320 17741 8698 1 15 . 1 1 84 84 ARG H H 414 9.117 9.117 8.539 0.578 17741 8699 1 15 . 1 1 85 85 PHE N N 415 124.357 124.357 127.071 -2.714 17741 8700 1 15 . 1 1 85 85 PHE HA H 415 5.037 5.037 4.756 0.281 17741 8701 1 15 . 1 1 85 85 PHE C C 415 176.084 176.084 177.239 -1.155 17741 8702 1 15 . 1 1 85 85 PHE CA C 415 59.719 59.719 60.261 -0.542 17741 8703 1 15 . 1 1 85 85 PHE CB C 415 40.812 40.812 39.136 1.676 17741 8704 1 15 . 1 1 85 85 PHE H H 415 8.984 8.984 9.661 -0.677 17741 8705 1 15 . 1 1 86 86 MET N N 416 121.301 121.301 124.419 -3.118 17741 8706 1 15 . 1 1 86 86 MET HA H 416 4.670 4.670 4.203 0.467 17741 8707 1 15 . 1 1 86 86 MET C C 416 176.543 176.543 176.616 -0.073 17741 8708 1 15 . 1 1 86 86 MET CA C 416 54.863 54.863 59.074 -4.211 17741 8709 1 15 . 1 1 86 86 MET CB C 416 31.711 31.711 32.807 -1.097 17741 8710 1 15 . 1 1 86 86 MET H H 416 8.671 8.671 8.616 0.055 17741 8711 1 15 . 1 1 87 87 LYS N N 417 117.759 117.759 115.637 2.122 17741 8712 1 15 . 1 1 87 87 LYS HA H 417 4.856 4.856 4.662 0.194 17741 8713 1 15 . 1 1 87 87 LYS C C 417 175.445 175.445 175.660 -0.215 17741 8714 1 15 . 1 1 87 87 LYS CA C 417 54.550 54.550 55.015 -0.465 17741 8715 1 15 . 1 1 87 87 LYS CB C 417 37.828 37.828 36.731 1.097 17741 8716 1 15 . 1 1 87 87 LYS H H 417 7.656 7.656 7.631 0.025 17741 8717 1 15 . 1 1 88 88 THR N N 418 112.506 112.506 111.491 1.015 17741 8718 1 15 . 1 1 88 88 THR HA H 418 4.372 4.372 5.099 -0.727 17741 8719 1 15 . 1 1 88 88 THR C C 418 173.594 173.594 173.328 0.266 17741 8720 1 15 . 1 1 88 88 THR CA C 418 59.640 59.640 58.388 1.252 17741 8721 1 15 . 1 1 88 88 THR CB C 418 68.065 68.065 69.702 -1.637 17741 8722 1 15 . 1 1 88 88 THR H H 418 8.685 8.685 8.945 -0.260 17741 8723 1 15 . 1 1 89 89 PRO HA H 419 3.748 3.748 3.965 -0.217 17741 8724 1 15 . 1 1 89 89 PRO C C 419 177.219 177.219 178.517 -1.298 17741 8725 1 15 . 1 1 89 89 PRO CA C 419 65.592 65.592 66.138 -0.546 17741 8726 1 15 . 1 1 89 89 PRO CB C 419 31.739 31.739 31.583 0.156 17741 8727 1 15 . 1 1 90 90 ASP N N 420 114.631 114.631 115.861 -1.230 17741 8728 1 15 . 1 1 90 90 ASP HA H 420 4.265 4.265 4.375 -0.110 17741 8729 1 15 . 1 1 90 90 ASP C C 420 177.962 177.962 177.428 0.534 17741 8730 1 15 . 1 1 90 90 ASP CA C 420 56.371 56.371 56.972 -0.602 17741 8731 1 15 . 1 1 90 90 ASP CB C 420 40.662 40.662 40.471 0.191 17741 8732 1 15 . 1 1 90 90 ASP H H 420 7.962 7.962 8.657 -0.695 17741 8733 1 15 . 1 1 91 91 GLU N N 421 119.501 119.501 118.493 1.008 17741 8734 1 15 . 1 1 91 91 GLU HA H 421 4.043 4.043 4.151 -0.108 17741 8735 1 15 . 1 1 91 91 GLU C C 421 178.599 178.599 179.058 -0.459 17741 8736 1 15 . 1 1 91 91 GLU CA C 421 58.113 58.113 58.372 -0.259 17741 8737 1 15 . 1 1 91 91 GLU CB C 421 30.721 30.721 29.963 0.758 17741 8738 1 15 . 1 1 91 91 GLU H H 421 7.661 7.661 7.912 -0.251 17741 8739 1 15 . 1 1 92 92 ILE N N 422 120.594 120.594 120.720 -0.126 17741 8740 1 15 . 1 1 92 92 ILE HA H 422 3.641 3.641 3.697 -0.056 17741 8741 1 15 . 1 1 92 92 ILE C C 422 177.752 177.752 177.296 0.456 17741 8742 1 15 . 1 1 92 92 ILE CA C 422 62.931 62.931 64.802 -1.871 17741 8743 1 15 . 1 1 92 92 ILE CB C 422 38.185 38.185 38.027 0.158 17741 8744 1 15 . 1 1 92 92 ILE H H 422 7.861 7.861 8.027 -0.166 17741 8745 1 15 . 1 1 93 93 MET N N 423 119.187 119.187 115.318 3.869 17741 8746 1 15 . 1 1 93 93 MET HA H 423 4.391 4.391 4.588 -0.197 17741 8747 1 15 . 1 1 93 93 MET C C 423 176.982 176.982 176.453 0.529 17741 8748 1 15 . 1 1 93 93 MET CA C 423 56.491 56.491 56.673 -0.182 17741 8749 1 15 . 1 1 93 93 MET CB C 423 32.584 32.584 32.504 0.080 17741 8750 1 15 . 1 1 93 93 MET H H 423 8.158 8.158 8.106 0.052 17741 8751 1 15 . 1 1 94 94 SER N N 424 114.933 114.933 114.487 0.446 17741 8752 1 15 . 1 1 94 94 SER HA H 424 4.394 4.394 4.427 -0.033 17741 8753 1 15 . 1 1 94 94 SER C C 424 175.238 175.238 174.940 0.298 17741 8754 1 15 . 1 1 94 94 SER CA C 424 59.423 59.423 58.205 1.218 17741 8755 1 15 . 1 1 94 94 SER CB C 424 63.695 63.695 62.337 1.358 17741 8756 1 15 . 1 1 94 94 SER H H 424 7.854 7.854 7.513 0.341 17741 8757 1 15 . 1 1 95 95 GLY N N 425 110.045 110.045 109.736 0.309 17741 8758 1 15 . 1 1 95 95 GLY C C 425 174.194 174.194 175.626 -1.432 17741 8759 1 15 . 1 1 95 95 GLY CA C 425 45.432 45.432 45.285 0.147 17741 8760 1 15 . 1 1 95 95 GLY H H 425 8.061 8.061 8.415 -0.354 17741 8761 1 15 . 1 1 96 96 ARG N N 426 119.987 119.987 121.945 -1.958 17741 8762 1 15 . 1 1 96 96 ARG HA H 426 4.475 4.475 4.254 0.221 17741 8763 1 15 . 1 1 96 96 ARG C C 426 177.308 177.308 178.364 -1.056 17741 8764 1 15 . 1 1 96 96 ARG CA C 426 56.195 56.195 58.342 -2.147 17741 8765 1 15 . 1 1 96 96 ARG CB C 426 30.354 30.354 30.017 0.337 17741 8766 1 15 . 1 1 96 96 ARG H H 426 8.092 8.092 7.844 0.248 17741 8767 1 15 . 1 1 97 97 THR N N 427 114.398 114.398 111.529 2.869 17741 8768 1 15 . 1 1 97 97 THR HA H 427 4.298 4.298 4.395 -0.097 17741 8769 1 15 . 1 1 97 97 THR C C 427 174.913 174.913 175.521 -0.608 17741 8770 1 15 . 1 1 97 97 THR CA C 427 62.673 62.673 65.190 -2.517 17741 8771 1 15 . 1 1 97 97 THR CB C 427 69.473 69.473 68.731 0.742 17741 8772 1 15 . 1 1 97 97 THR H H 427 8.319 8.319 7.702 0.617 17741 8773 1 15 . 1 1 98 98 ASP N N 428 121.983 121.983 121.679 0.304 17741 8774 1 15 . 1 1 98 98 ASP HA H 428 4.508 4.508 4.423 0.085 17741 8775 1 15 . 1 1 98 98 ASP C C 428 176.956 176.956 177.569 -0.613 17741 8776 1 15 . 1 1 98 98 ASP CA C 428 55.433 55.433 57.067 -1.634 17741 8777 1 15 . 1 1 98 98 ASP CB C 428 40.746 40.746 40.873 -0.127 17741 8778 1 15 . 1 1 98 98 ASP H H 428 8.488 8.488 8.653 -0.165 17741 8779 1 15 . 1 1 99 99 ARG N N 429 119.821 119.821 116.318 3.503 17741 8780 1 15 . 1 1 99 99 ARG HA H 429 4.277 4.277 4.243 0.034 17741 8781 1 15 . 1 1 99 99 ARG C C 429 177.078 177.078 178.687 -1.609 17741 8782 1 15 . 1 1 99 99 ARG CA C 429 56.984 56.984 58.480 -1.496 17741 8783 1 15 . 1 1 99 99 ARG CB C 429 30.224 30.224 30.199 0.025 17741 8784 1 15 . 1 1 99 99 ARG H H 429 8.088 8.088 7.721 0.367 17741 8785 1 15 . 1 1 100 100 LEU N N 430 120.887 120.887 122.510 -1.623 17741 8786 1 15 . 1 1 100 100 LEU HA H 430 4.176 4.176 4.288 -0.112 17741 8787 1 15 . 1 1 100 100 LEU C C 430 177.732 177.732 179.172 -1.440 17741 8788 1 15 . 1 1 100 100 LEU CA C 430 56.324 56.324 57.957 -1.633 17741 8789 1 15 . 1 1 100 100 LEU CB C 430 42.262 42.262 42.137 0.125 17741 8790 1 15 . 1 1 100 100 LEU H H 430 7.945 7.945 7.942 0.003 17741 8791 1 15 . 1 1 101 101 GLU N N 431 119.799 119.799 116.304 3.495 17741 8792 1 15 . 1 1 101 101 GLU HA H 431 4.082 4.082 4.034 0.048 17741 8793 1 15 . 1 1 101 101 GLU C C 431 177.281 177.281 177.625 -0.344 17741 8794 1 15 . 1 1 101 101 GLU CA C 431 58.011 58.011 58.681 -0.670 17741 8795 1 15 . 1 1 101 101 GLU CB C 431 30.191 30.191 29.476 0.715 17741 8796 1 15 . 1 1 101 101 GLU H H 431 8.268 8.268 8.342 -0.074 17741 8797 1 15 . 1 1 102 102 HIS N N 432 118.048 118.048 115.163 2.885 17741 8798 1 15 . 1 1 102 102 HIS HA H 432 4.584 4.584 4.503 0.081 17741 8799 1 15 . 1 1 102 102 HIS C C 432 175.678 175.678 176.621 -0.943 17741 8800 1 15 . 1 1 102 102 HIS CA C 432 56.571 56.571 57.983 -1.412 17741 8801 1 15 . 1 1 102 102 HIS CB C 432 29.352 29.352 30.047 -0.695 17741 8802 1 15 . 1 1 102 102 HIS H H 432 8.166 8.166 8.037 0.129 17741 8803 1 15 . 1 1 103 103 LEU N N 433 122.228 122.228 120.169 2.059 17741 8804 1 15 . 1 1 103 103 LEU HA H 433 4.176 4.176 3.950 0.226 17741 8805 1 15 . 1 1 103 103 LEU C C 433 177.904 177.904 178.292 -0.388 17741 8806 1 15 . 1 1 103 103 LEU CA C 433 56.237 56.237 57.512 -1.275 17741 8807 1 15 . 1 1 103 103 LEU CB C 433 42.305 42.305 42.409 -0.104 17741 8808 1 15 . 1 1 103 103 LEU H H 433 8.072 8.072 7.855 0.217 17741 8809 1 15 . 1 1 104 104 GLU N N 434 119.413 119.413 116.955 2.458 17741 8810 1 15 . 1 1 104 104 GLU HA H 434 4.309 4.309 4.369 -0.060 17741 8811 1 15 . 1 1 104 104 GLU C C 434 176.560 176.560 176.726 -0.166 17741 8812 1 15 . 1 1 104 104 GLU CA C 434 57.098 57.098 56.616 0.482 17741 8813 1 15 . 1 1 104 104 GLU CB C 434 30.301 30.301 29.087 1.214 17741 8814 1 15 . 1 1 104 104 GLU H H 434 8.331 8.331 7.810 0.521 17741 8815 1 15 . 1 1 105 105 SER N N 435 115.859 115.859 114.456 1.403 17741 8816 1 15 . 1 1 105 105 SER HA H 435 4.443 4.443 4.195 0.248 17741 8817 1 15 . 1 1 105 105 SER C C 435 173.630 173.630 174.360 -0.730 17741 8818 1 15 . 1 1 105 105 SER CA C 435 58.591 58.591 57.894 0.697 17741 8819 1 15 . 1 1 105 105 SER CB C 435 64.066 64.066 62.807 1.259 17741 8820 1 15 . 1 1 105 105 SER H H 435 7.976 7.976 7.908 0.068 17741 8821 1 16 . 1 1 5 5 ARG N N 335 123.531 123.531 125.892 -2.361 17741 8822 1 16 . 1 1 5 5 ARG HA H 335 4.411 4.411 4.903 -0.492 17741 8823 1 16 . 1 1 5 5 ARG C C 335 176.473 176.473 175.385 1.088 17741 8824 1 16 . 1 1 5 5 ARG CA C 335 56.571 56.571 54.337 2.234 17741 8825 1 16 . 1 1 5 5 ARG CB C 335 31.352 31.352 33.651 -2.299 17741 8826 1 16 . 1 1 5 5 ARG H H 335 9.347 9.347 8.710 0.637 17741 8827 1 16 . 1 1 6 6 LEU N N 336 121.545 121.545 122.793 -1.248 17741 8828 1 16 . 1 1 6 6 LEU HA H 336 4.293 4.293 4.326 -0.033 17741 8829 1 16 . 1 1 6 6 LEU C C 336 178.837 178.837 177.109 1.728 17741 8830 1 16 . 1 1 6 6 LEU CA C 336 54.652 54.652 55.915 -1.263 17741 8831 1 16 . 1 1 6 6 LEU CB C 336 43.365 43.365 41.600 1.765 17741 8832 1 16 . 1 1 6 6 LEU H H 336 8.556 8.556 8.592 -0.036 17741 8833 1 16 . 1 1 7 7 LEU HA H 337 3.441 3.441 2.918 0.523 17741 8834 1 16 . 1 1 7 7 LEU C C 337 177.908 177.908 178.311 -0.403 17741 8835 1 16 . 1 1 7 7 LEU CA C 337 58.771 58.771 58.696 0.075 17741 8836 1 16 . 1 1 7 7 LEU CB C 337 40.192 40.192 41.689 -1.497 17741 8837 1 16 . 1 1 8 8 TRP N N 338 114.624 114.624 116.579 -1.955 17741 8838 1 16 . 1 1 8 8 TRP HA H 338 3.785 3.785 4.267 -0.482 17741 8839 1 16 . 1 1 8 8 TRP C C 338 175.318 175.318 177.782 -2.464 17741 8840 1 16 . 1 1 8 8 TRP CA C 338 59.891 59.891 59.898 -0.007 17741 8841 1 16 . 1 1 8 8 TRP CB C 338 28.359 28.359 28.183 0.176 17741 8842 1 16 . 1 1 8 8 TRP H H 338 7.515 7.515 7.281 0.234 17741 8843 1 16 . 1 1 9 9 ASP HA H 339 3.813 3.813 4.327 -0.514 17741 8844 1 16 . 1 1 9 9 ASP C C 339 177.355 177.355 177.662 -0.307 17741 8845 1 16 . 1 1 9 9 ASP CA C 339 56.291 56.291 56.088 0.203 17741 8846 1 16 . 1 1 9 9 ASP CB C 339 41.591 41.591 39.919 1.672 17741 8847 1 16 . 1 1 10 10 TYR N N 340 120.906 120.906 120.619 0.287 17741 8848 1 16 . 1 1 10 10 TYR HA H 340 3.897 3.897 4.074 -0.177 17741 8849 1 16 . 1 1 10 10 TYR C C 340 177.011 177.011 177.385 -0.374 17741 8850 1 16 . 1 1 10 10 TYR CA C 340 61.913 61.913 61.112 0.801 17741 8851 1 16 . 1 1 10 10 TYR CB C 340 39.482 39.482 38.500 0.982 17741 8852 1 16 . 1 1 10 10 TYR H H 340 8.005 8.005 7.925 0.080 17741 8853 1 16 . 1 1 11 11 VAL N N 341 115.016 115.016 118.771 -3.755 17741 8854 1 16 . 1 1 11 11 VAL HA H 341 2.992 2.992 3.256 -0.264 17741 8855 1 16 . 1 1 11 11 VAL C C 341 176.751 176.751 177.070 -0.319 17741 8856 1 16 . 1 1 11 11 VAL CA C 341 66.910 66.910 65.295 1.615 17741 8857 1 16 . 1 1 11 11 VAL CB C 341 30.968 30.968 30.213 0.755 17741 8858 1 16 . 1 1 11 11 VAL H H 341 8.287 8.287 7.992 0.295 17741 8859 1 16 . 1 1 12 12 TYR N N 342 119.030 119.030 119.527 -0.497 17741 8860 1 16 . 1 1 12 12 TYR HA H 342 3.641 3.641 3.886 -0.245 17741 8861 1 16 . 1 1 12 12 TYR C C 342 178.659 178.659 177.835 0.824 17741 8862 1 16 . 1 1 12 12 TYR CA C 342 63.010 63.010 62.462 0.548 17741 8863 1 16 . 1 1 12 12 TYR CB C 342 38.212 38.212 37.417 0.795 17741 8864 1 16 . 1 1 12 12 TYR H H 342 7.673 7.673 7.853 -0.180 17741 8865 1 16 . 1 1 13 13 GLN N N 343 119.113 119.113 119.084 0.029 17741 8866 1 16 . 1 1 13 13 GLN HA H 343 3.828 3.828 4.195 -0.367 17741 8867 1 16 . 1 1 13 13 GLN C C 343 179.955 179.955 177.178 2.777 17741 8868 1 16 . 1 1 13 13 GLN CA C 343 58.871 58.871 58.104 0.767 17741 8869 1 16 . 1 1 13 13 GLN CB C 343 27.514 27.514 28.091 -0.577 17741 8870 1 16 . 1 1 13 13 GLN H H 343 8.161 8.161 7.611 0.550 17741 8871 1 16 . 1 1 14 14 LEU N N 344 121.401 121.401 118.652 2.749 17741 8872 1 16 . 1 1 14 14 LEU HA H 344 3.611 3.611 3.932 -0.321 17741 8873 1 16 . 1 1 14 14 LEU C C 344 179.789 179.789 179.531 0.258 17741 8874 1 16 . 1 1 14 14 LEU CA C 344 58.043 58.043 56.679 1.364 17741 8875 1 16 . 1 1 14 14 LEU CB C 344 41.598 41.598 41.565 0.034 17741 8876 1 16 . 1 1 14 14 LEU H H 344 7.825 7.825 7.351 0.474 17741 8877 1 16 . 1 1 15 15 LEU N N 345 116.853 116.853 119.185 -2.332 17741 8878 1 16 . 1 1 15 15 LEU HA H 345 3.504 3.504 3.892 -0.388 17741 8879 1 16 . 1 1 15 15 LEU C C 345 178.149 178.149 178.089 0.060 17741 8880 1 16 . 1 1 15 15 LEU CA C 345 56.473 56.473 56.515 -0.042 17741 8881 1 16 . 1 1 15 15 LEU CB C 345 41.322 41.322 40.448 0.874 17741 8882 1 16 . 1 1 15 15 LEU H H 345 7.503 7.503 8.262 -0.759 17741 8883 1 16 . 1 1 16 16 SER N N 346 112.491 112.491 110.445 2.046 17741 8884 1 16 . 1 1 16 16 SER HA H 346 4.522 4.522 4.628 -0.106 17741 8885 1 16 . 1 1 16 16 SER C C 346 172.441 172.441 174.469 -2.028 17741 8886 1 16 . 1 1 16 16 SER CA C 346 58.859 58.859 58.967 -0.108 17741 8887 1 16 . 1 1 16 16 SER CB C 346 63.987 63.987 63.953 0.034 17741 8888 1 16 . 1 1 16 16 SER H H 346 7.277 7.277 7.520 -0.243 17741 8889 1 16 . 1 1 17 17 ASP N N 347 122.161 122.161 121.992 0.169 17741 8890 1 16 . 1 1 17 17 ASP HA H 347 4.966 4.966 4.876 0.090 17741 8891 1 16 . 1 1 17 17 ASP C C 347 175.692 175.692 176.027 -0.335 17741 8892 1 16 . 1 1 17 17 ASP CA C 347 52.805 52.805 53.455 -0.650 17741 8893 1 16 . 1 1 17 17 ASP CB C 347 43.392 43.392 43.741 -0.349 17741 8894 1 16 . 1 1 17 17 ASP H H 347 7.345 7.345 7.408 -0.063 17741 8895 1 16 . 1 1 18 18 SER N N 348 120.164 120.164 121.934 -1.770 17741 8896 1 16 . 1 1 18 18 SER HA H 348 4.356 4.356 4.405 -0.049 17741 8897 1 16 . 1 1 18 18 SER C C 348 176.200 176.200 176.272 -0.072 17741 8898 1 16 . 1 1 18 18 SER CA C 348 61.207 61.207 59.810 1.397 17741 8899 1 16 . 1 1 18 18 SER CB C 348 63.226 63.226 63.304 -0.078 17741 8900 1 16 . 1 1 18 18 SER H H 348 8.686 8.686 8.903 -0.217 17741 8901 1 16 . 1 1 19 19 ARG N N 349 122.701 122.701 120.690 2.011 17741 8902 1 16 . 1 1 19 19 ARG HA H 349 4.105 4.105 3.971 0.134 17741 8903 1 16 . 1 1 19 19 ARG C C 349 178.120 178.120 176.767 1.353 17741 8904 1 16 . 1 1 19 19 ARG CA C 349 58.604 58.604 58.108 0.496 17741 8905 1 16 . 1 1 19 19 ARG CB C 349 29.854 29.854 29.546 0.308 17741 8906 1 16 . 1 1 19 19 ARG H H 349 8.597 8.597 8.658 -0.061 17741 8907 1 16 . 1 1 20 20 TYR N N 350 116.257 116.257 116.245 0.012 17741 8908 1 16 . 1 1 20 20 TYR HA H 350 4.884 4.884 4.690 0.194 17741 8909 1 16 . 1 1 20 20 TYR C C 350 176.977 176.977 175.265 1.712 17741 8910 1 16 . 1 1 20 20 TYR CA C 350 58.758 58.758 56.897 1.861 17741 8911 1 16 . 1 1 20 20 TYR CB C 350 37.602 37.602 38.200 -0.598 17741 8912 1 16 . 1 1 20 20 TYR H H 350 8.285 8.285 7.558 0.727 17741 8913 1 16 . 1 1 21 21 GLU N N 351 120.807 120.807 120.900 -0.093 17741 8914 1 16 . 1 1 21 21 GLU HA H 351 4.454 4.454 4.376 0.078 17741 8915 1 16 . 1 1 21 21 GLU C C 351 176.277 176.277 177.314 -1.037 17741 8916 1 16 . 1 1 21 21 GLU CA C 351 59.135 59.135 58.381 0.754 17741 8917 1 16 . 1 1 21 21 GLU CB C 351 29.674 29.674 28.892 0.782 17741 8918 1 16 . 1 1 21 21 GLU H H 351 7.527 7.527 7.536 -0.009 17741 8919 1 16 . 1 1 22 22 ASN N N 352 114.501 114.501 116.295 -1.794 17741 8920 1 16 . 1 1 22 22 ASN HA H 352 4.471 4.471 4.550 -0.079 17741 8921 1 16 . 1 1 22 22 ASN C C 352 174.426 174.426 175.759 -1.333 17741 8922 1 16 . 1 1 22 22 ASN CA C 352 54.002 54.002 54.728 -0.726 17741 8923 1 16 . 1 1 22 22 ASN CB C 352 36.943 36.943 38.679 -1.736 17741 8924 1 16 . 1 1 22 22 ASN H H 352 8.647 8.647 8.119 0.528 17741 8925 1 16 . 1 1 23 23 PHE N N 353 115.528 115.528 116.252 -0.724 17741 8926 1 16 . 1 1 23 23 PHE HA H 353 4.751 4.751 4.766 -0.015 17741 8927 1 16 . 1 1 23 23 PHE C C 353 176.374 176.374 175.832 0.542 17741 8928 1 16 . 1 1 23 23 PHE CA C 353 59.617 59.617 57.775 1.842 17741 8929 1 16 . 1 1 23 23 PHE CB C 353 41.431 41.431 40.920 0.511 17741 8930 1 16 . 1 1 23 23 PHE H H 353 8.578 8.578 7.722 0.856 17741 8931 1 16 . 1 1 24 24 ILE N N 354 120.520 120.520 118.522 1.998 17741 8932 1 16 . 1 1 24 24 ILE HA H 354 5.063 5.063 4.991 0.072 17741 8933 1 16 . 1 1 24 24 ILE C C 354 170.331 170.331 172.917 -2.586 17741 8934 1 16 . 1 1 24 24 ILE CA C 354 59.835 59.835 60.742 -0.907 17741 8935 1 16 . 1 1 24 24 ILE CB C 354 40.605 40.605 41.934 -1.329 17741 8936 1 16 . 1 1 24 24 ILE H H 354 8.436 8.436 8.541 -0.105 17741 8937 1 16 . 1 1 25 25 ARG N N 355 121.401 121.401 121.663 -0.262 17741 8938 1 16 . 1 1 25 25 ARG HA H 355 4.916 4.916 4.812 0.104 17741 8939 1 16 . 1 1 25 25 ARG C C 355 175.099 175.099 174.082 1.017 17741 8940 1 16 . 1 1 25 25 ARG CA C 355 54.461 54.461 54.927 -0.466 17741 8941 1 16 . 1 1 25 25 ARG CB C 355 33.662 33.662 33.792 -0.130 17741 8942 1 16 . 1 1 25 25 ARG H H 355 8.668 8.668 9.111 -0.444 17741 8943 1 16 . 1 1 26 26 TRP N N 356 122.022 122.022 123.758 -1.736 17741 8944 1 16 . 1 1 26 26 TRP HA H 356 4.894 4.894 4.882 0.012 17741 8945 1 16 . 1 1 26 26 TRP C C 356 176.606 176.606 176.956 -0.350 17741 8946 1 16 . 1 1 26 26 TRP CA C 356 57.835 57.835 57.669 0.166 17741 8947 1 16 . 1 1 26 26 TRP CB C 356 30.564 30.564 29.569 0.995 17741 8948 1 16 . 1 1 26 26 TRP H H 356 9.149 9.149 8.977 0.172 17741 8949 1 16 . 1 1 27 27 GLU N N 357 125.415 125.415 123.813 1.602 17741 8950 1 16 . 1 1 27 27 GLU HA H 357 4.686 4.686 4.429 0.257 17741 8951 1 16 . 1 1 27 27 GLU C C 357 176.709 176.709 176.559 0.150 17741 8952 1 16 . 1 1 27 27 GLU CA C 357 56.939 56.939 58.123 -1.184 17741 8953 1 16 . 1 1 27 27 GLU CB C 357 31.545 31.545 30.828 0.717 17741 8954 1 16 . 1 1 27 27 GLU H H 357 9.524 9.524 8.908 0.616 17741 8955 1 16 . 1 1 28 28 ASP N N 358 116.214 116.214 120.848 -4.634 17741 8956 1 16 . 1 1 28 28 ASP HA H 358 4.759 4.759 4.909 -0.150 17741 8957 1 16 . 1 1 28 28 ASP C C 358 176.124 176.124 175.738 0.386 17741 8958 1 16 . 1 1 28 28 ASP CA C 358 53.481 53.481 53.818 -0.337 17741 8959 1 16 . 1 1 28 28 ASP CB C 358 41.921 41.921 41.787 0.134 17741 8960 1 16 . 1 1 28 28 ASP H H 358 7.828 7.828 8.397 -0.569 17741 8961 1 16 . 1 1 29 29 LYS N N 359 127.750 127.750 124.465 3.285 17741 8962 1 16 . 1 1 29 29 LYS HA H 359 3.162 3.162 2.852 0.310 17741 8963 1 16 . 1 1 29 29 LYS C C 359 178.683 178.683 177.318 1.365 17741 8964 1 16 . 1 1 29 29 LYS CA C 359 60.173 60.173 59.709 0.464 17741 8965 1 16 . 1 1 29 29 LYS CB C 359 32.728 32.728 32.077 0.651 17741 8966 1 16 . 1 1 29 29 LYS H H 359 9.221 9.221 8.684 0.537 17741 8967 1 16 . 1 1 30 30 GLU N N 360 119.608 119.608 115.576 4.032 17741 8968 1 16 . 1 1 30 30 GLU HA H 360 3.923 3.923 4.015 -0.092 17741 8969 1 16 . 1 1 30 30 GLU C C 360 178.598 178.598 177.495 1.103 17741 8970 1 16 . 1 1 30 30 GLU CA C 360 59.512 59.512 58.492 1.020 17741 8971 1 16 . 1 1 30 30 GLU CB C 360 29.188 29.188 29.370 -0.182 17741 8972 1 16 . 1 1 30 30 GLU H H 360 8.343 8.343 8.561 -0.218 17741 8973 1 16 . 1 1 31 31 SER N N 361 113.313 113.313 113.183 0.130 17741 8974 1 16 . 1 1 31 31 SER HA H 361 4.485 4.485 4.615 -0.130 17741 8975 1 16 . 1 1 31 31 SER C C 361 172.284 172.284 173.655 -1.371 17741 8976 1 16 . 1 1 31 31 SER CA C 361 58.745 58.745 58.366 0.379 17741 8977 1 16 . 1 1 31 31 SER CB C 361 63.728 63.728 63.830 -0.102 17741 8978 1 16 . 1 1 31 31 SER H H 361 7.466 7.466 7.573 -0.107 17741 8979 1 16 . 1 1 32 32 LYS N N 362 115.197 115.197 117.848 -2.651 17741 8980 1 16 . 1 1 32 32 LYS HA H 362 3.894 3.894 3.837 0.057 17741 8981 1 16 . 1 1 32 32 LYS C C 362 175.489 175.489 174.980 0.509 17741 8982 1 16 . 1 1 32 32 LYS CA C 362 57.641 57.641 57.340 0.301 17741 8983 1 16 . 1 1 32 32 LYS CB C 362 29.811 29.811 29.920 -0.109 17741 8984 1 16 . 1 1 32 32 LYS H H 362 7.741 7.741 7.815 -0.074 17741 8985 1 16 . 1 1 33 33 ILE N N 363 118.359 118.359 119.405 -1.046 17741 8986 1 16 . 1 1 33 33 ILE HA H 363 5.356 5.356 5.026 0.330 17741 8987 1 16 . 1 1 33 33 ILE C C 363 177.019 177.019 175.702 1.317 17741 8988 1 16 . 1 1 33 33 ILE CA C 363 60.455 60.455 61.175 -0.720 17741 8989 1 16 . 1 1 33 33 ILE CB C 363 40.081 40.081 39.641 0.440 17741 8990 1 16 . 1 1 33 33 ILE H H 363 8.268 8.268 8.360 -0.092 17741 8991 1 16 . 1 1 34 34 PHE N N 364 128.287 128.287 125.577 2.710 17741 8992 1 16 . 1 1 34 34 PHE HA H 364 5.576 5.576 5.722 -0.146 17741 8993 1 16 . 1 1 34 34 PHE C C 364 170.447 170.447 173.000 -2.553 17741 8994 1 16 . 1 1 34 34 PHE CA C 364 55.128 55.128 55.454 -0.326 17741 8995 1 16 . 1 1 34 34 PHE CB C 364 44.010 44.010 42.879 1.131 17741 8996 1 16 . 1 1 34 34 PHE H H 364 9.962 9.962 9.559 0.403 17741 8997 1 16 . 1 1 35 35 ARG N N 365 120.900 120.900 122.374 -1.474 17741 8998 1 16 . 1 1 35 35 ARG HA H 365 5.486 5.486 5.119 0.367 17741 8999 1 16 . 1 1 35 35 ARG C C 365 176.462 176.462 175.333 1.129 17741 9000 1 16 . 1 1 35 35 ARG CA C 365 53.609 53.609 53.834 -0.225 17741 9001 1 16 . 1 1 35 35 ARG CB C 365 36.518 36.518 33.081 3.437 17741 9002 1 16 . 1 1 35 35 ARG H H 365 9.427 9.427 9.345 0.082 17741 9003 1 16 . 1 1 36 36 ILE N N 366 125.534 125.534 127.710 -2.176 17741 9004 1 16 . 1 1 36 36 ILE HA H 366 4.209 4.209 4.172 0.037 17741 9005 1 16 . 1 1 36 36 ILE C C 366 173.899 173.899 175.432 -1.533 17741 9006 1 16 . 1 1 36 36 ILE CA C 366 63.033 63.033 62.562 0.471 17741 9007 1 16 . 1 1 36 36 ILE CB C 366 37.889 37.889 37.963 -0.074 17741 9008 1 16 . 1 1 36 36 ILE H H 366 8.643 8.643 8.968 -0.325 17741 9009 1 16 . 1 1 37 37 VAL N N 367 129.194 129.194 128.351 0.843 17741 9010 1 16 . 1 1 37 37 VAL HA H 367 3.679 3.679 3.953 -0.274 17741 9011 1 16 . 1 1 37 37 VAL C C 367 175.919 175.919 176.123 -0.204 17741 9012 1 16 . 1 1 37 37 VAL CA C 367 64.068 64.068 64.394 -0.326 17741 9013 1 16 . 1 1 37 37 VAL CB C 367 32.884 32.884 32.615 0.269 17741 9014 1 16 . 1 1 37 37 VAL H H 367 7.841 7.841 8.443 -0.602 17741 9015 1 16 . 1 1 38 38 ASP N N 368 114.969 114.969 117.464 -2.495 17741 9016 1 16 . 1 1 38 38 ASP HA H 368 5.222 5.222 5.024 0.198 17741 9017 1 16 . 1 1 38 38 ASP C C 368 173.227 173.227 174.483 -1.256 17741 9018 1 16 . 1 1 38 38 ASP CA C 368 50.238 50.238 51.196 -0.958 17741 9019 1 16 . 1 1 38 38 ASP CB C 368 42.181 42.181 42.810 -0.629 17741 9020 1 16 . 1 1 38 38 ASP H H 368 7.316 7.316 8.082 -0.766 17741 9021 1 16 . 1 1 39 39 PRO HA H 369 3.809 3.809 4.148 -0.339 17741 9022 1 16 . 1 1 39 39 PRO C C 369 177.958 177.958 178.311 -0.353 17741 9023 1 16 . 1 1 39 39 PRO CA C 369 65.612 65.612 65.082 0.530 17741 9024 1 16 . 1 1 39 39 PRO CB C 369 31.068 31.068 31.727 -0.659 17741 9025 1 16 . 1 1 40 40 ASN N N 370 115.480 115.480 116.790 -1.310 17741 9026 1 16 . 1 1 40 40 ASN HA H 370 4.604 4.604 4.497 0.107 17741 9027 1 16 . 1 1 40 40 ASN C C 370 178.566 178.566 177.605 0.961 17741 9028 1 16 . 1 1 40 40 ASN CA C 370 56.471 56.471 56.202 0.269 17741 9029 1 16 . 1 1 40 40 ASN CB C 370 38.068 38.068 38.253 -0.185 17741 9030 1 16 . 1 1 40 40 ASN H H 370 8.094 8.094 8.436 -0.342 17741 9031 1 16 . 1 1 41 41 GLY N N 371 111.371 111.371 107.967 3.404 17741 9032 1 16 . 1 1 41 41 GLY C C 371 176.018 176.018 175.645 0.373 17741 9033 1 16 . 1 1 41 41 GLY CA C 371 47.862 47.862 46.220 1.642 17741 9034 1 16 . 1 1 41 41 GLY H H 371 8.632 8.632 9.036 -0.404 17741 9035 1 16 . 1 1 42 42 LEU N N 372 122.901 122.901 122.336 0.565 17741 9036 1 16 . 1 1 42 42 LEU HA H 372 4.035 4.035 4.230 -0.195 17741 9037 1 16 . 1 1 42 42 LEU C C 372 177.704 177.704 178.605 -0.901 17741 9038 1 16 . 1 1 42 42 LEU CA C 372 57.913 57.913 57.038 0.875 17741 9039 1 16 . 1 1 42 42 LEU CB C 372 42.136 42.136 41.341 0.795 17741 9040 1 16 . 1 1 42 42 LEU H H 372 8.876 8.876 7.697 1.179 17741 9041 1 16 . 1 1 43 43 ALA N N 373 120.103 120.103 121.661 -1.558 17741 9042 1 16 . 1 1 43 43 ALA HA H 373 4.462 4.462 4.236 0.226 17741 9043 1 16 . 1 1 43 43 ALA C C 373 179.091 179.091 179.031 0.060 17741 9044 1 16 . 1 1 43 43 ALA CA C 373 55.441 55.441 55.358 0.083 17741 9045 1 16 . 1 1 43 43 ALA CB C 373 18.098 18.098 18.535 -0.437 17741 9046 1 16 . 1 1 43 43 ALA H H 373 8.062 8.062 8.708 -0.646 17741 9047 1 16 . 1 1 44 44 ARG N N 374 118.071 118.071 119.211 -1.140 17741 9048 1 16 . 1 1 44 44 ARG HA H 374 4.117 4.117 4.074 0.043 17741 9049 1 16 . 1 1 44 44 ARG C C 374 179.414 179.414 178.304 1.110 17741 9050 1 16 . 1 1 44 44 ARG CA C 374 59.297 59.297 59.158 0.139 17741 9051 1 16 . 1 1 44 44 ARG CB C 374 30.069 30.069 29.830 0.239 17741 9052 1 16 . 1 1 44 44 ARG H H 374 7.725 7.725 7.748 -0.023 17741 9053 1 16 . 1 1 45 45 LEU N N 375 121.601 121.601 121.269 0.332 17741 9054 1 16 . 1 1 45 45 LEU HA H 375 4.015 4.015 4.190 -0.175 17741 9055 1 16 . 1 1 45 45 LEU C C 375 180.087 180.087 178.903 1.184 17741 9056 1 16 . 1 1 45 45 LEU CA C 375 58.553 58.553 58.079 0.474 17741 9057 1 16 . 1 1 45 45 LEU CB C 375 41.495 41.495 41.306 0.189 17741 9058 1 16 . 1 1 45 45 LEU H H 375 7.877 7.877 7.509 0.368 17741 9059 1 16 . 1 1 46 46 TRP N N 376 121.543 121.543 121.172 0.371 17741 9060 1 16 . 1 1 46 46 TRP HA H 376 4.333 4.333 3.884 0.449 17741 9061 1 16 . 1 1 46 46 TRP C C 376 177.572 177.572 178.395 -0.823 17741 9062 1 16 . 1 1 46 46 TRP CA C 376 59.091 59.091 59.390 -0.299 17741 9063 1 16 . 1 1 46 46 TRP CB C 376 30.305 30.305 29.695 0.610 17741 9064 1 16 . 1 1 46 46 TRP H H 376 8.615 8.615 8.669 -0.055 17741 9065 1 16 . 1 1 47 47 GLY N N 377 105.532 105.532 105.783 -0.251 17741 9066 1 16 . 1 1 47 47 GLY C C 377 176.057 176.057 176.033 0.024 17741 9067 1 16 . 1 1 47 47 GLY CA C 377 48.035 48.035 46.993 1.042 17741 9068 1 16 . 1 1 47 47 GLY H H 377 8.877 8.877 8.962 -0.085 17741 9069 1 16 . 1 1 48 48 ASN N N 378 119.996 119.996 119.657 0.339 17741 9070 1 16 . 1 1 48 48 ASN HA H 378 4.403 4.403 4.471 -0.068 17741 9071 1 16 . 1 1 48 48 ASN C C 378 178.112 178.112 177.141 0.971 17741 9072 1 16 . 1 1 48 48 ASN CA C 378 56.229 56.229 55.749 0.480 17741 9073 1 16 . 1 1 48 48 ASN CB C 378 38.272 38.272 38.311 -0.039 17741 9074 1 16 . 1 1 48 48 ASN H H 378 8.176 8.176 8.014 0.162 17741 9075 1 16 . 1 1 49 49 HIS N N 379 121.459 121.459 119.408 2.051 17741 9076 1 16 . 1 1 49 49 HIS HA H 379 4.129 4.129 4.292 -0.163 17741 9077 1 16 . 1 1 49 49 HIS C C 379 175.858 175.858 176.294 -0.436 17741 9078 1 16 . 1 1 49 49 HIS CA C 379 59.234 59.234 58.690 0.544 17741 9079 1 16 . 1 1 49 49 HIS CB C 379 29.473 29.473 29.972 -0.499 17741 9080 1 16 . 1 1 49 49 HIS H H 379 8.138 8.138 8.064 0.074 17741 9081 1 16 . 1 1 50 50 LYS N N 380 115.130 115.130 116.343 -1.213 17741 9082 1 16 . 1 1 50 50 LYS HA H 380 3.797 3.797 4.016 -0.219 17741 9083 1 16 . 1 1 50 50 LYS C C 380 175.468 175.468 175.383 0.085 17741 9084 1 16 . 1 1 50 50 LYS CA C 380 54.085 54.085 55.819 -1.734 17741 9085 1 16 . 1 1 50 50 LYS CB C 380 30.887 30.887 32.525 -1.638 17741 9086 1 16 . 1 1 50 50 LYS H H 380 7.552 7.552 7.754 -0.202 17741 9087 1 16 . 1 1 51 51 ASN N N 381 116.632 116.632 113.419 3.213 17741 9088 1 16 . 1 1 51 51 ASN HA H 381 4.264 4.264 4.332 -0.068 17741 9089 1 16 . 1 1 51 51 ASN C C 381 174.332 174.332 174.131 0.201 17741 9090 1 16 . 1 1 51 51 ASN CA C 381 54.189 54.189 54.243 -0.054 17741 9091 1 16 . 1 1 51 51 ASN CB C 381 37.343 37.343 36.891 0.452 17741 9092 1 16 . 1 1 51 51 ASN H H 381 7.715 7.715 7.710 0.006 17741 9093 1 16 . 1 1 52 52 ARG N N 382 117.701 117.701 118.310 -0.609 17741 9094 1 16 . 1 1 52 52 ARG HA H 382 4.583 4.583 4.682 -0.099 17741 9095 1 16 . 1 1 52 52 ARG C C 382 176.172 176.172 176.044 0.128 17741 9096 1 16 . 1 1 52 52 ARG CA C 382 54.167 54.167 53.892 0.274 17741 9097 1 16 . 1 1 52 52 ARG CB C 382 31.882 31.882 31.657 0.225 17741 9098 1 16 . 1 1 52 52 ARG H H 382 8.465 8.465 8.191 0.274 17741 9099 1 16 . 1 1 53 53 THR N N 383 114.338 114.338 117.760 -3.422 17741 9100 1 16 . 1 1 53 53 THR HA H 383 4.208 4.208 4.237 -0.029 17741 9101 1 16 . 1 1 53 53 THR C C 383 174.496 174.496 175.132 -0.636 17741 9102 1 16 . 1 1 53 53 THR CA C 383 62.345 62.345 64.056 -1.711 17741 9103 1 16 . 1 1 53 53 THR CB C 383 69.699 69.699 69.248 0.451 17741 9104 1 16 . 1 1 53 53 THR H H 383 8.274 8.274 8.457 -0.183 17741 9105 1 16 . 1 1 54 54 ASN N N 384 119.031 119.031 119.050 -0.019 17741 9106 1 16 . 1 1 54 54 ASN HA H 384 4.607 4.607 4.680 -0.073 17741 9107 1 16 . 1 1 54 54 ASN C C 384 174.829 174.829 174.500 0.329 17741 9108 1 16 . 1 1 54 54 ASN CA C 384 53.155 53.155 53.034 0.121 17741 9109 1 16 . 1 1 54 54 ASN CB C 384 37.871 37.871 38.981 -1.110 17741 9110 1 16 . 1 1 54 54 ASN H H 384 8.457 8.457 8.102 0.355 17741 9111 1 16 . 1 1 55 55 MET N N 385 119.922 119.922 120.550 -0.628 17741 9112 1 16 . 1 1 55 55 MET HA H 385 4.558 4.558 4.368 0.190 17741 9113 1 16 . 1 1 55 55 MET C C 385 174.921 174.921 175.250 -0.329 17741 9114 1 16 . 1 1 55 55 MET CA C 385 55.271 55.271 55.624 -0.353 17741 9115 1 16 . 1 1 55 55 MET CB C 385 30.991 30.991 32.300 -1.309 17741 9116 1 16 . 1 1 55 55 MET H H 385 8.073 8.073 7.683 0.390 17741 9117 1 16 . 1 1 56 56 THR N N 386 113.771 113.771 118.680 -4.909 17741 9118 1 16 . 1 1 56 56 THR HA H 386 4.693 4.693 4.664 0.029 17741 9119 1 16 . 1 1 56 56 THR C C 386 175.459 175.459 174.953 0.506 17741 9120 1 16 . 1 1 56 56 THR CA C 386 59.043 59.043 59.165 -0.122 17741 9121 1 16 . 1 1 56 56 THR CB C 386 72.393 72.393 71.186 1.207 17741 9122 1 16 . 1 1 56 56 THR H H 386 7.076 7.076 7.778 -0.702 17741 9123 1 16 . 1 1 57 57 TYR N N 387 123.521 123.521 121.359 2.162 17741 9124 1 16 . 1 1 57 57 TYR HA H 387 4.127 4.127 4.253 -0.126 17741 9125 1 16 . 1 1 57 57 TYR C C 387 177.432 177.432 177.147 0.285 17741 9126 1 16 . 1 1 57 57 TYR CA C 387 62.527 62.527 61.067 1.460 17741 9127 1 16 . 1 1 57 57 TYR CB C 387 37.289 37.289 38.536 -1.248 17741 9128 1 16 . 1 1 57 57 TYR H H 387 9.726 9.726 8.918 0.808 17741 9129 1 16 . 1 1 58 58 GLU N N 388 121.083 121.083 119.276 1.807 17741 9130 1 16 . 1 1 58 58 GLU HA H 388 3.825 3.825 3.789 0.036 17741 9131 1 16 . 1 1 58 58 GLU C C 388 179.225 179.225 178.602 0.623 17741 9132 1 16 . 1 1 58 58 GLU CA C 388 60.476 60.476 59.886 0.590 17741 9133 1 16 . 1 1 58 58 GLU CB C 388 29.087 29.087 29.277 -0.190 17741 9134 1 16 . 1 1 58 58 GLU H H 388 8.843 8.843 8.052 0.791 17741 9135 1 16 . 1 1 59 59 LYS N N 389 119.209 119.209 116.988 2.221 17741 9136 1 16 . 1 1 59 59 LYS HA H 389 3.971 3.971 4.071 -0.100 17741 9137 1 16 . 1 1 59 59 LYS C C 389 179.944 179.944 178.980 0.964 17741 9138 1 16 . 1 1 59 59 LYS CA C 389 59.897 59.897 58.166 1.731 17741 9139 1 16 . 1 1 59 59 LYS CB C 389 33.359 33.359 31.831 1.528 17741 9140 1 16 . 1 1 59 59 LYS H H 389 7.605 7.605 7.501 0.104 17741 9141 1 16 . 1 1 60 60 MET N N 390 122.401 122.401 121.768 0.633 17741 9142 1 16 . 1 1 60 60 MET HA H 390 3.944 3.944 4.034 -0.090 17741 9143 1 16 . 1 1 60 60 MET C C 390 177.716 177.716 177.367 0.349 17741 9144 1 16 . 1 1 60 60 MET CA C 390 59.547 59.547 58.906 0.641 17741 9145 1 16 . 1 1 60 60 MET CB C 390 33.315 33.315 32.336 0.979 17741 9146 1 16 . 1 1 60 60 MET H H 390 8.229 8.229 7.666 0.563 17741 9147 1 16 . 1 1 61 61 SER N N 391 114.652 114.652 114.494 0.158 17741 9148 1 16 . 1 1 61 61 SER HA H 391 3.771 3.771 3.802 -0.031 17741 9149 1 16 . 1 1 61 61 SER C C 391 176.449 176.449 176.018 0.431 17741 9150 1 16 . 1 1 61 61 SER CA C 391 61.554 61.554 61.859 -0.305 17741 9151 1 16 . 1 1 61 61 SER CB C 391 62.278 62.278 62.794 -0.516 17741 9152 1 16 . 1 1 61 61 SER H H 391 8.829 8.829 8.256 0.573 17741 9153 1 16 . 1 1 62 62 ARG N N 392 122.213 122.213 121.208 1.005 17741 9154 1 16 . 1 1 62 62 ARG HA H 392 3.945 3.945 3.951 -0.006 17741 9155 1 16 . 1 1 62 62 ARG C C 392 178.600 178.600 177.869 0.731 17741 9156 1 16 . 1 1 62 62 ARG CA C 392 59.571 59.571 58.527 1.044 17741 9157 1 16 . 1 1 62 62 ARG CB C 392 29.914 29.914 29.072 0.842 17741 9158 1 16 . 1 1 62 62 ARG H H 392 7.413 7.413 7.816 -0.403 17741 9159 1 16 . 1 1 63 63 ALA N N 393 122.327 122.327 122.206 0.121 17741 9160 1 16 . 1 1 63 63 ALA HA H 393 4.157 4.157 3.816 0.341 17741 9161 1 16 . 1 1 63 63 ALA C C 393 180.147 180.147 179.096 1.051 17741 9162 1 16 . 1 1 63 63 ALA CA C 393 54.749 54.749 54.359 0.390 17741 9163 1 16 . 1 1 63 63 ALA CB C 393 18.529 18.529 17.858 0.671 17741 9164 1 16 . 1 1 63 63 ALA H H 393 7.256 7.256 7.224 0.032 17741 9165 1 16 . 1 1 64 64 LEU N N 394 117.582 117.582 118.419 -0.837 17741 9166 1 16 . 1 1 64 64 LEU HA H 394 3.769 3.769 3.451 0.318 17741 9167 1 16 . 1 1 64 64 LEU C C 394 178.139 178.139 178.729 -0.590 17741 9168 1 16 . 1 1 64 64 LEU CA C 394 58.012 58.012 57.404 0.608 17741 9169 1 16 . 1 1 64 64 LEU CB C 394 41.396 41.396 41.117 0.279 17741 9170 1 16 . 1 1 64 64 LEU H H 394 7.768 7.768 7.779 -0.011 17741 9171 1 16 . 1 1 65 65 ARG N N 395 116.204 116.204 116.493 -0.289 17741 9172 1 16 . 1 1 65 65 ARG HA H 395 3.445 3.445 3.315 0.130 17741 9173 1 16 . 1 1 65 65 ARG C C 395 179.423 179.423 179.453 -0.030 17741 9174 1 16 . 1 1 65 65 ARG CA C 395 58.829 58.829 58.182 0.647 17741 9175 1 16 . 1 1 65 65 ARG CB C 395 29.776 29.776 29.172 0.604 17741 9176 1 16 . 1 1 65 65 ARG H H 395 7.595 7.595 8.234 -0.639 17741 9177 1 16 . 1 1 66 66 HIS N N 396 118.573 118.573 120.798 -2.225 17741 9178 1 16 . 1 1 66 66 HIS HA H 396 4.401 4.401 4.399 0.002 17741 9179 1 16 . 1 1 66 66 HIS C C 396 177.218 177.218 177.412 -0.194 17741 9180 1 16 . 1 1 66 66 HIS CA C 396 58.821 58.821 58.954 -0.133 17741 9181 1 16 . 1 1 66 66 HIS CB C 396 29.753 29.753 29.743 0.010 17741 9182 1 16 . 1 1 66 66 HIS H H 396 7.362 7.362 7.501 -0.139 17741 9183 1 16 . 1 1 67 67 TYR N N 397 115.773 115.773 119.459 -3.686 17741 9184 1 16 . 1 1 67 67 TYR HA H 397 4.259 4.259 4.109 0.150 17741 9185 1 16 . 1 1 67 67 TYR C C 397 178.802 178.802 178.285 0.517 17741 9186 1 16 . 1 1 67 67 TYR CA C 397 60.329 60.329 59.761 0.568 17741 9187 1 16 . 1 1 67 67 TYR CB C 397 37.379 37.379 36.771 0.608 17741 9188 1 16 . 1 1 67 67 TYR H H 397 7.568 7.568 7.974 -0.406 17741 9189 1 16 . 1 1 68 68 TYR N N 398 121.825 121.825 117.977 3.848 17741 9190 1 16 . 1 1 68 68 TYR HA H 398 5.413 5.413 4.642 0.771 17741 9191 1 16 . 1 1 68 68 TYR C C 398 181.169 181.169 178.832 2.337 17741 9192 1 16 . 1 1 68 68 TYR CA C 398 57.775 57.775 59.587 -1.812 17741 9193 1 16 . 1 1 68 68 TYR CB C 398 36.972 36.972 37.203 -0.230 17741 9194 1 16 . 1 1 68 68 TYR H H 398 8.116 8.116 7.530 0.586 17741 9195 1 16 . 1 1 69 69 LYS N N 399 120.934 120.934 119.042 1.892 17741 9196 1 16 . 1 1 69 69 LYS HA H 399 4.127 4.127 4.150 -0.023 17741 9197 1 16 . 1 1 69 69 LYS C C 399 177.928 177.928 177.609 0.319 17741 9198 1 16 . 1 1 69 69 LYS CA C 399 58.912 58.912 58.938 -0.026 17741 9199 1 16 . 1 1 69 69 LYS CB C 399 32.188 32.188 32.172 0.016 17741 9200 1 16 . 1 1 69 69 LYS H H 399 7.771 7.771 8.128 -0.357 17741 9201 1 16 . 1 1 70 70 LEU N N 400 116.022 116.022 117.588 -1.566 17741 9202 1 16 . 1 1 70 70 LEU HA H 400 4.291 4.291 4.340 -0.049 17741 9203 1 16 . 1 1 70 70 LEU C C 400 175.827 175.827 176.110 -0.283 17741 9204 1 16 . 1 1 70 70 LEU CA C 400 54.675 54.675 54.370 0.305 17741 9205 1 16 . 1 1 70 70 LEU CB C 400 43.081 43.081 40.899 2.182 17741 9206 1 16 . 1 1 70 70 LEU H H 400 7.144 7.144 7.532 -0.388 17741 9207 1 16 . 1 1 71 71 ASN N N 401 115.201 115.201 114.999 0.202 17741 9208 1 16 . 1 1 71 71 ASN HA H 401 4.352 4.352 4.373 -0.021 17741 9209 1 16 . 1 1 71 71 ASN C C 401 173.517 173.517 174.657 -1.140 17741 9210 1 16 . 1 1 71 71 ASN CA C 401 54.602 54.602 54.989 -0.387 17741 9211 1 16 . 1 1 71 71 ASN CB C 401 37.381 37.381 37.224 0.157 17741 9212 1 16 . 1 1 71 71 ASN H H 401 8.047 8.047 7.627 0.420 17741 9213 1 16 . 1 1 72 72 ILE N N 402 113.907 113.907 117.819 -3.912 17741 9214 1 16 . 1 1 72 72 ILE HA H 402 4.059 4.059 4.021 0.038 17741 9215 1 16 . 1 1 72 72 ILE C C 402 176.279 176.279 175.103 1.176 17741 9216 1 16 . 1 1 72 72 ILE CA C 402 63.797 63.797 62.992 0.805 17741 9217 1 16 . 1 1 72 72 ILE CB C 402 40.395 40.395 39.900 0.495 17741 9218 1 16 . 1 1 72 72 ILE H H 402 7.986 7.986 8.578 -0.592 17741 9219 1 16 . 1 1 73 73 ILE N N 403 116.766 116.766 116.010 0.756 17741 9220 1 16 . 1 1 73 73 ILE HA H 403 5.042 5.042 4.667 0.375 17741 9221 1 16 . 1 1 73 73 ILE C C 403 173.945 173.945 174.334 -0.389 17741 9222 1 16 . 1 1 73 73 ILE CA C 403 59.247 59.247 59.426 -0.179 17741 9223 1 16 . 1 1 73 73 ILE CB C 403 43.414 43.414 41.937 1.477 17741 9224 1 16 . 1 1 73 73 ILE H H 403 7.042 7.042 7.150 -0.108 17741 9225 1 16 . 1 1 74 74 ARG N N 404 123.256 123.256 121.579 1.677 17741 9226 1 16 . 1 1 74 74 ARG HA H 404 4.751 4.751 4.498 0.253 17741 9227 1 16 . 1 1 74 74 ARG C C 404 174.757 174.757 173.733 1.024 17741 9228 1 16 . 1 1 74 74 ARG CA C 404 54.274 54.274 54.526 -0.253 17741 9229 1 16 . 1 1 74 74 ARG CB C 404 34.492 34.492 33.621 0.871 17741 9230 1 16 . 1 1 74 74 ARG H H 404 8.931 8.931 9.294 -0.363 17741 9231 1 16 . 1 1 75 75 LYS N N 405 125.627 125.627 121.903 3.724 17741 9232 1 16 . 1 1 75 75 LYS HA H 405 4.076 4.076 4.418 -0.342 17741 9233 1 16 . 1 1 75 75 LYS C C 405 176.481 176.481 176.154 0.327 17741 9234 1 16 . 1 1 75 75 LYS CA C 405 56.446 56.446 53.967 2.479 17741 9235 1 16 . 1 1 75 75 LYS CB C 405 32.758 32.758 33.554 -0.796 17741 9236 1 16 . 1 1 75 75 LYS H H 405 8.294 8.294 8.133 0.161 17741 9237 1 16 . 1 1 76 76 GLU N N 406 128.187 128.187 126.036 2.151 17741 9238 1 16 . 1 1 76 76 GLU HA H 406 4.447 4.447 4.490 -0.043 17741 9239 1 16 . 1 1 76 76 GLU C C 406 174.401 174.401 175.028 -0.627 17741 9240 1 16 . 1 1 76 76 GLU CA C 406 53.751 53.751 53.444 0.307 17741 9241 1 16 . 1 1 76 76 GLU CB C 406 29.951 29.951 28.169 1.782 17741 9242 1 16 . 1 1 76 76 GLU H H 406 8.016 8.016 8.110 -0.094 17741 9243 1 16 . 1 1 77 77 PRO HA H 407 4.288 4.288 4.339 -0.051 17741 9244 1 16 . 1 1 77 77 PRO C C 407 177.654 177.654 176.888 0.766 17741 9245 1 16 . 1 1 77 77 PRO CA C 407 63.433 63.433 63.086 0.347 17741 9246 1 16 . 1 1 77 77 PRO CB C 407 32.152 32.152 31.014 1.138 17741 9247 1 16 . 1 1 78 78 GLY N N 408 109.679 109.679 113.928 -4.249 17741 9248 1 16 . 1 1 78 78 GLY C C 408 173.976 173.976 174.573 -0.597 17741 9249 1 16 . 1 1 78 78 GLY CA C 408 45.539 45.539 44.800 0.739 17741 9250 1 16 . 1 1 78 78 GLY H H 408 8.514 8.514 8.477 0.037 17741 9251 1 16 . 1 1 79 79 GLN N N 409 116.897 116.897 120.719 -3.822 17741 9252 1 16 . 1 1 79 79 GLN HA H 409 4.489 4.489 4.274 0.215 17741 9253 1 16 . 1 1 79 79 GLN C C 409 175.371 175.371 175.874 -0.503 17741 9254 1 16 . 1 1 79 79 GLN CA C 409 54.472 54.472 55.711 -1.239 17741 9255 1 16 . 1 1 79 79 GLN CB C 409 31.301 31.301 29.474 1.827 17741 9256 1 16 . 1 1 79 79 GLN H H 409 7.572 7.572 8.593 -1.021 17741 9257 1 16 . 1 1 80 80 ARG N N 410 120.458 120.458 119.458 1.000 17741 9258 1 16 . 1 1 80 80 ARG HA H 410 4.275 4.275 4.233 0.042 17741 9259 1 16 . 1 1 80 80 ARG C C 410 176.227 176.227 177.677 -1.450 17741 9260 1 16 . 1 1 80 80 ARG CA C 410 56.891 56.891 57.687 -0.796 17741 9261 1 16 . 1 1 80 80 ARG CB C 410 31.475 31.475 29.742 1.733 17741 9262 1 16 . 1 1 80 80 ARG H H 410 8.254 8.254 8.555 -0.301 17741 9263 1 16 . 1 1 81 81 LEU N N 411 119.424 119.424 120.682 -1.258 17741 9264 1 16 . 1 1 81 81 LEU HA H 411 4.048 4.048 4.555 -0.507 17741 9265 1 16 . 1 1 81 81 LEU C C 411 173.277 173.277 175.469 -2.192 17741 9266 1 16 . 1 1 81 81 LEU CA C 411 55.111 55.111 53.846 1.265 17741 9267 1 16 . 1 1 81 81 LEU CB C 411 40.298 40.298 41.172 -0.874 17741 9268 1 16 . 1 1 81 81 LEU H H 411 8.467 8.467 7.989 0.477 17741 9269 1 16 . 1 1 82 82 LEU N N 412 119.126 119.126 121.801 -2.675 17741 9270 1 16 . 1 1 82 82 LEU HA H 412 5.036 5.036 4.650 0.386 17741 9271 1 16 . 1 1 82 82 LEU C C 412 175.323 175.323 174.556 0.767 17741 9272 1 16 . 1 1 82 82 LEU CA C 412 53.175 53.175 53.564 -0.389 17741 9273 1 16 . 1 1 82 82 LEU CB C 412 45.482 45.482 43.015 2.467 17741 9274 1 16 . 1 1 82 82 LEU H H 412 6.769 6.769 7.142 -0.373 17741 9275 1 16 . 1 1 83 83 PHE N N 413 122.107 122.107 123.890 -1.783 17741 9276 1 16 . 1 1 83 83 PHE HA H 413 4.848 4.848 4.907 -0.059 17741 9277 1 16 . 1 1 83 83 PHE C C 413 172.764 172.764 173.599 -0.835 17741 9278 1 16 . 1 1 83 83 PHE CA C 413 55.848 55.848 56.224 -0.376 17741 9279 1 16 . 1 1 83 83 PHE CB C 413 44.675 44.675 43.017 1.658 17741 9280 1 16 . 1 1 83 83 PHE H H 413 8.648 8.648 9.071 -0.423 17741 9281 1 16 . 1 1 84 84 ARG N N 414 119.466 119.466 121.774 -2.308 17741 9282 1 16 . 1 1 84 84 ARG HA H 414 5.578 5.578 5.212 0.366 17741 9283 1 16 . 1 1 84 84 ARG C C 414 177.476 177.476 175.085 2.391 17741 9284 1 16 . 1 1 84 84 ARG CA C 414 54.198 54.198 54.312 -0.114 17741 9285 1 16 . 1 1 84 84 ARG CB C 414 36.128 36.128 33.732 2.396 17741 9286 1 16 . 1 1 84 84 ARG H H 414 9.117 9.117 8.823 0.294 17741 9287 1 16 . 1 1 85 85 PHE N N 415 124.357 124.357 127.306 -2.949 17741 9288 1 16 . 1 1 85 85 PHE HA H 415 5.037 5.037 4.720 0.317 17741 9289 1 16 . 1 1 85 85 PHE C C 415 176.084 176.084 176.081 0.003 17741 9290 1 16 . 1 1 85 85 PHE CA C 415 59.719 59.719 60.411 -0.692 17741 9291 1 16 . 1 1 85 85 PHE CB C 415 40.812 40.812 39.149 1.663 17741 9292 1 16 . 1 1 85 85 PHE H H 415 8.984 8.984 9.557 -0.573 17741 9293 1 16 . 1 1 86 86 MET N N 416 121.301 121.301 123.860 -2.559 17741 9294 1 16 . 1 1 86 86 MET HA H 416 4.670 4.670 4.256 0.414 17741 9295 1 16 . 1 1 86 86 MET C C 416 176.543 176.543 176.850 -0.307 17741 9296 1 16 . 1 1 86 86 MET CA C 416 54.863 54.863 57.290 -2.427 17741 9297 1 16 . 1 1 86 86 MET CB C 416 31.711 31.711 32.505 -0.794 17741 9298 1 16 . 1 1 86 86 MET H H 416 8.671 8.671 8.514 0.157 17741 9299 1 16 . 1 1 87 87 LYS N N 417 117.759 117.759 115.482 2.277 17741 9300 1 16 . 1 1 87 87 LYS HA H 417 4.856 4.856 4.639 0.217 17741 9301 1 16 . 1 1 87 87 LYS C C 417 175.445 175.445 175.741 -0.296 17741 9302 1 16 . 1 1 87 87 LYS CA C 417 54.550 54.550 54.587 -0.037 17741 9303 1 16 . 1 1 87 87 LYS CB C 417 37.828 37.828 36.449 1.379 17741 9304 1 16 . 1 1 87 87 LYS H H 417 7.656 7.656 7.651 0.005 17741 9305 1 16 . 1 1 88 88 THR N N 418 112.506 112.506 112.531 -0.025 17741 9306 1 16 . 1 1 88 88 THR HA H 418 4.372 4.372 4.982 -0.610 17741 9307 1 16 . 1 1 88 88 THR C C 418 173.594 173.594 173.393 0.201 17741 9308 1 16 . 1 1 88 88 THR CA C 418 59.640 59.640 58.758 0.882 17741 9309 1 16 . 1 1 88 88 THR CB C 418 68.065 68.065 69.209 -1.144 17741 9310 1 16 . 1 1 88 88 THR H H 418 8.685 8.685 8.826 -0.141 17741 9311 1 16 . 1 1 89 89 PRO HA H 419 3.748 3.748 4.057 -0.309 17741 9312 1 16 . 1 1 89 89 PRO C C 419 177.219 177.219 178.612 -1.393 17741 9313 1 16 . 1 1 89 89 PRO CA C 419 65.592 65.592 66.692 -1.100 17741 9314 1 16 . 1 1 89 89 PRO CB C 419 31.739 31.739 31.780 -0.041 17741 9315 1 16 . 1 1 90 90 ASP N N 420 114.631 114.631 115.214 -0.583 17741 9316 1 16 . 1 1 90 90 ASP HA H 420 4.265 4.265 4.411 -0.146 17741 9317 1 16 . 1 1 90 90 ASP C C 420 177.962 177.962 177.271 0.691 17741 9318 1 16 . 1 1 90 90 ASP CA C 420 56.371 56.371 56.778 -0.407 17741 9319 1 16 . 1 1 90 90 ASP CB C 420 40.662 40.662 40.513 0.149 17741 9320 1 16 . 1 1 90 90 ASP H H 420 7.962 7.962 8.645 -0.683 17741 9321 1 16 . 1 1 91 91 GLU N N 421 119.501 119.501 118.303 1.198 17741 9322 1 16 . 1 1 91 91 GLU HA H 421 4.043 4.043 4.126 -0.083 17741 9323 1 16 . 1 1 91 91 GLU C C 421 178.599 178.599 178.757 -0.158 17741 9324 1 16 . 1 1 91 91 GLU CA C 421 58.113 58.113 58.804 -0.691 17741 9325 1 16 . 1 1 91 91 GLU CB C 421 30.721 30.721 30.111 0.610 17741 9326 1 16 . 1 1 91 91 GLU H H 421 7.661 7.661 7.616 0.045 17741 9327 1 16 . 1 1 92 92 ILE N N 422 120.594 120.594 120.566 0.028 17741 9328 1 16 . 1 1 92 92 ILE HA H 422 3.641 3.641 3.765 -0.124 17741 9329 1 16 . 1 1 92 92 ILE C C 422 177.752 177.752 177.497 0.255 17741 9330 1 16 . 1 1 92 92 ILE CA C 422 62.931 62.931 64.712 -1.781 17741 9331 1 16 . 1 1 92 92 ILE CB C 422 38.185 38.185 38.078 0.107 17741 9332 1 16 . 1 1 92 92 ILE H H 422 7.861 7.861 8.297 -0.436 17741 9333 1 16 . 1 1 93 93 MET N N 423 119.187 119.187 116.142 3.045 17741 9334 1 16 . 1 1 93 93 MET HA H 423 4.391 4.391 4.400 -0.009 17741 9335 1 16 . 1 1 93 93 MET C C 423 176.982 176.982 176.265 0.717 17741 9336 1 16 . 1 1 93 93 MET CA C 423 56.491 56.491 56.766 -0.275 17741 9337 1 16 . 1 1 93 93 MET CB C 423 32.584 32.584 32.194 0.390 17741 9338 1 16 . 1 1 93 93 MET H H 423 8.158 8.158 8.145 0.013 17741 9339 1 16 . 1 1 94 94 SER N N 424 114.933 114.933 113.324 1.609 17741 9340 1 16 . 1 1 94 94 SER HA H 424 4.394 4.394 4.399 -0.005 17741 9341 1 16 . 1 1 94 94 SER C C 424 175.238 175.238 175.448 -0.210 17741 9342 1 16 . 1 1 94 94 SER CA C 424 59.423 59.423 58.848 0.575 17741 9343 1 16 . 1 1 94 94 SER CB C 424 63.695 63.695 62.821 0.874 17741 9344 1 16 . 1 1 94 94 SER H H 424 7.854 7.854 7.625 0.229 17741 9345 1 16 . 1 1 95 95 GLY N N 425 110.045 110.045 110.570 -0.525 17741 9346 1 16 . 1 1 95 95 GLY C C 425 174.194 174.194 175.391 -1.197 17741 9347 1 16 . 1 1 95 95 GLY CA C 425 45.432 45.432 45.146 0.286 17741 9348 1 16 . 1 1 95 95 GLY H H 425 8.061 8.061 7.960 0.101 17741 9349 1 16 . 1 1 96 96 ARG N N 426 119.987 119.987 121.425 -1.438 17741 9350 1 16 . 1 1 96 96 ARG HA H 426 4.475 4.475 4.225 0.250 17741 9351 1 16 . 1 1 96 96 ARG C C 426 177.308 177.308 178.121 -0.813 17741 9352 1 16 . 1 1 96 96 ARG CA C 426 56.195 56.195 58.357 -2.162 17741 9353 1 16 . 1 1 96 96 ARG CB C 426 30.354 30.354 30.100 0.254 17741 9354 1 16 . 1 1 96 96 ARG H H 426 8.092 8.092 7.771 0.321 17741 9355 1 16 . 1 1 97 97 THR N N 427 114.398 114.398 111.314 3.084 17741 9356 1 16 . 1 1 97 97 THR HA H 427 4.298 4.298 4.456 -0.158 17741 9357 1 16 . 1 1 97 97 THR C C 427 174.913 174.913 175.853 -0.940 17741 9358 1 16 . 1 1 97 97 THR CA C 427 62.673 62.673 64.663 -1.990 17741 9359 1 16 . 1 1 97 97 THR CB C 427 69.473 69.473 68.602 0.871 17741 9360 1 16 . 1 1 97 97 THR H H 427 8.319 8.319 7.819 0.500 17741 9361 1 16 . 1 1 98 98 ASP N N 428 121.983 121.983 121.701 0.282 17741 9362 1 16 . 1 1 98 98 ASP HA H 428 4.508 4.508 4.419 0.089 17741 9363 1 16 . 1 1 98 98 ASP C C 428 176.956 176.956 177.536 -0.580 17741 9364 1 16 . 1 1 98 98 ASP CA C 428 55.433 55.433 58.295 -2.862 17741 9365 1 16 . 1 1 98 98 ASP CB C 428 40.746 40.746 40.484 0.262 17741 9366 1 16 . 1 1 98 98 ASP H H 428 8.488 8.488 8.940 -0.452 17741 9367 1 16 . 1 1 99 99 ARG N N 429 119.821 119.821 117.927 1.894 17741 9368 1 16 . 1 1 99 99 ARG HA H 429 4.277 4.277 4.235 0.042 17741 9369 1 16 . 1 1 99 99 ARG C C 429 177.078 177.078 178.686 -1.608 17741 9370 1 16 . 1 1 99 99 ARG CA C 429 56.984 56.984 58.101 -1.117 17741 9371 1 16 . 1 1 99 99 ARG CB C 429 30.224 30.224 30.476 -0.252 17741 9372 1 16 . 1 1 99 99 ARG H H 429 8.088 8.088 7.627 0.461 17741 9373 1 16 . 1 1 100 100 LEU N N 430 120.887 120.887 122.095 -1.208 17741 9374 1 16 . 1 1 100 100 LEU HA H 430 4.176 4.176 4.208 -0.032 17741 9375 1 16 . 1 1 100 100 LEU C C 430 177.732 177.732 178.834 -1.102 17741 9376 1 16 . 1 1 100 100 LEU CA C 430 56.324 56.324 58.259 -1.935 17741 9377 1 16 . 1 1 100 100 LEU CB C 430 42.262 42.262 41.948 0.314 17741 9378 1 16 . 1 1 100 100 LEU H H 430 7.945 7.945 7.917 0.028 17741 9379 1 16 . 1 1 101 101 GLU N N 431 119.799 119.799 118.774 1.025 17741 9380 1 16 . 1 1 101 101 GLU HA H 431 4.082 4.082 3.926 0.156 17741 9381 1 16 . 1 1 101 101 GLU C C 431 177.281 177.281 178.641 -1.360 17741 9382 1 16 . 1 1 101 101 GLU CA C 431 58.011 58.011 59.592 -1.581 17741 9383 1 16 . 1 1 101 101 GLU CB C 431 30.191 30.191 29.895 0.296 17741 9384 1 16 . 1 1 101 101 GLU H H 431 8.268 8.268 8.646 -0.378 17741 9385 1 16 . 1 1 102 102 HIS N N 432 118.048 118.048 115.456 2.592 17741 9386 1 16 . 1 1 102 102 HIS HA H 432 4.584 4.584 4.398 0.186 17741 9387 1 16 . 1 1 102 102 HIS C C 432 175.678 175.678 176.881 -1.203 17741 9388 1 16 . 1 1 102 102 HIS CA C 432 56.571 56.571 58.426 -1.855 17741 9389 1 16 . 1 1 102 102 HIS CB C 432 29.352 29.352 29.889 -0.537 17741 9390 1 16 . 1 1 102 102 HIS H H 432 8.166 8.166 8.123 0.043 17741 9391 1 16 . 1 1 103 103 LEU N N 433 122.228 122.228 117.517 4.711 17741 9392 1 16 . 1 1 103 103 LEU HA H 433 4.176 4.176 4.258 -0.082 17741 9393 1 16 . 1 1 103 103 LEU C C 433 177.904 177.904 178.994 -1.090 17741 9394 1 16 . 1 1 103 103 LEU CA C 433 56.237 56.237 56.894 -0.657 17741 9395 1 16 . 1 1 103 103 LEU CB C 433 42.305 42.305 42.373 -0.068 17741 9396 1 16 . 1 1 103 103 LEU H H 433 8.072 8.072 7.748 0.324 17741 9397 1 16 . 1 1 104 104 GLU N N 434 119.413 119.413 117.872 1.541 17741 9398 1 16 . 1 1 104 104 GLU HA H 434 4.309 4.309 4.233 0.076 17741 9399 1 16 . 1 1 104 104 GLU C C 434 176.560 176.560 176.968 -0.408 17741 9400 1 16 . 1 1 104 104 GLU CA C 434 57.098 57.098 57.361 -0.263 17741 9401 1 16 . 1 1 104 104 GLU CB C 434 30.301 30.301 28.752 1.549 17741 9402 1 16 . 1 1 104 104 GLU H H 434 8.331 8.331 8.513 -0.182 17741 9403 1 16 . 1 1 105 105 SER N N 435 115.859 115.859 112.727 3.132 17741 9404 1 16 . 1 1 105 105 SER HA H 435 4.443 4.443 4.338 0.105 17741 9405 1 16 . 1 1 105 105 SER C C 435 173.630 173.630 174.809 -1.179 17741 9406 1 16 . 1 1 105 105 SER CA C 435 58.591 58.591 59.548 -0.957 17741 9407 1 16 . 1 1 105 105 SER CB C 435 64.066 64.066 63.367 0.699 17741 9408 1 16 . 1 1 105 105 SER H H 435 7.976 7.976 7.550 0.426 17741 9409 1 17 . 1 1 5 5 ARG N N 335 123.531 123.531 125.983 -2.452 17741 9410 1 17 . 1 1 5 5 ARG HA H 335 4.411 4.411 4.355 0.056 17741 9411 1 17 . 1 1 5 5 ARG C C 335 176.473 176.473 175.947 0.526 17741 9412 1 17 . 1 1 5 5 ARG CA C 335 56.571 56.571 54.955 1.616 17741 9413 1 17 . 1 1 5 5 ARG CB C 335 31.352 31.352 31.437 -0.085 17741 9414 1 17 . 1 1 5 5 ARG H H 335 9.347 9.347 8.952 0.395 17741 9415 1 17 . 1 1 6 6 LEU N N 336 121.545 121.545 122.208 -0.663 17741 9416 1 17 . 1 1 6 6 LEU HA H 336 4.293 4.293 4.230 0.063 17741 9417 1 17 . 1 1 6 6 LEU C C 336 178.837 178.837 178.335 0.502 17741 9418 1 17 . 1 1 6 6 LEU CA C 336 54.652 54.652 55.611 -0.959 17741 9419 1 17 . 1 1 6 6 LEU CB C 336 43.365 43.365 41.688 1.677 17741 9420 1 17 . 1 1 6 6 LEU H H 336 8.556 8.556 8.399 0.157 17741 9421 1 17 . 1 1 7 7 LEU HA H 337 3.441 3.441 2.938 0.503 17741 9422 1 17 . 1 1 7 7 LEU C C 337 177.908 177.908 178.257 -0.349 17741 9423 1 17 . 1 1 7 7 LEU CA C 337 58.771 58.771 58.586 0.185 17741 9424 1 17 . 1 1 7 7 LEU CB C 337 40.192 40.192 41.656 -1.464 17741 9425 1 17 . 1 1 8 8 TRP N N 338 114.624 114.624 116.866 -2.242 17741 9426 1 17 . 1 1 8 8 TRP HA H 338 3.785 3.785 4.254 -0.469 17741 9427 1 17 . 1 1 8 8 TRP C C 338 175.318 175.318 177.826 -2.508 17741 9428 1 17 . 1 1 8 8 TRP CA C 338 59.891 59.891 59.630 0.260 17741 9429 1 17 . 1 1 8 8 TRP CB C 338 28.359 28.359 28.074 0.285 17741 9430 1 17 . 1 1 8 8 TRP H H 338 7.515 7.515 7.243 0.272 17741 9431 1 17 . 1 1 9 9 ASP HA H 339 3.813 3.813 4.507 -0.694 17741 9432 1 17 . 1 1 9 9 ASP C C 339 177.355 177.355 177.861 -0.506 17741 9433 1 17 . 1 1 9 9 ASP CA C 339 56.291 56.291 56.742 -0.451 17741 9434 1 17 . 1 1 9 9 ASP CB C 339 41.591 41.591 40.075 1.516 17741 9435 1 17 . 1 1 10 10 TYR N N 340 120.906 120.906 120.832 0.074 17741 9436 1 17 . 1 1 10 10 TYR HA H 340 3.897 3.897 4.052 -0.155 17741 9437 1 17 . 1 1 10 10 TYR C C 340 177.011 177.011 177.584 -0.573 17741 9438 1 17 . 1 1 10 10 TYR CA C 340 61.913 61.913 60.953 0.960 17741 9439 1 17 . 1 1 10 10 TYR CB C 340 39.482 39.482 38.509 0.973 17741 9440 1 17 . 1 1 10 10 TYR H H 340 8.005 8.005 8.008 -0.003 17741 9441 1 17 . 1 1 11 11 VAL N N 341 115.016 115.016 117.812 -2.796 17741 9442 1 17 . 1 1 11 11 VAL HA H 341 2.992 2.992 3.151 -0.159 17741 9443 1 17 . 1 1 11 11 VAL C C 341 176.751 176.751 176.965 -0.214 17741 9444 1 17 . 1 1 11 11 VAL CA C 341 66.910 66.910 66.164 0.746 17741 9445 1 17 . 1 1 11 11 VAL CB C 341 30.968 30.968 30.970 -0.002 17741 9446 1 17 . 1 1 11 11 VAL H H 341 8.287 8.287 7.907 0.380 17741 9447 1 17 . 1 1 12 12 TYR N N 342 119.030 119.030 118.846 0.184 17741 9448 1 17 . 1 1 12 12 TYR HA H 342 3.641 3.641 3.929 -0.288 17741 9449 1 17 . 1 1 12 12 TYR C C 342 178.659 178.659 178.188 0.471 17741 9450 1 17 . 1 1 12 12 TYR CA C 342 63.010 63.010 62.207 0.803 17741 9451 1 17 . 1 1 12 12 TYR CB C 342 38.212 38.212 37.312 0.900 17741 9452 1 17 . 1 1 12 12 TYR H H 342 7.673 7.673 7.531 0.142 17741 9453 1 17 . 1 1 13 13 GLN N N 343 119.113 119.113 117.665 1.448 17741 9454 1 17 . 1 1 13 13 GLN HA H 343 3.828 3.828 4.009 -0.181 17741 9455 1 17 . 1 1 13 13 GLN C C 343 179.955 179.955 178.354 1.601 17741 9456 1 17 . 1 1 13 13 GLN CA C 343 58.871 58.871 58.720 0.151 17741 9457 1 17 . 1 1 13 13 GLN CB C 343 27.514 27.514 28.099 -0.585 17741 9458 1 17 . 1 1 13 13 GLN H H 343 8.161 8.161 7.579 0.582 17741 9459 1 17 . 1 1 14 14 LEU N N 344 121.401 121.401 118.147 3.254 17741 9460 1 17 . 1 1 14 14 LEU HA H 344 3.611 3.611 4.015 -0.404 17741 9461 1 17 . 1 1 14 14 LEU C C 344 179.789 179.789 179.042 0.747 17741 9462 1 17 . 1 1 14 14 LEU CA C 344 58.043 58.043 57.001 1.042 17741 9463 1 17 . 1 1 14 14 LEU CB C 344 41.598 41.598 40.963 0.635 17741 9464 1 17 . 1 1 14 14 LEU H H 344 7.825 7.825 7.308 0.517 17741 9465 1 17 . 1 1 15 15 LEU N N 345 116.853 116.853 118.690 -1.837 17741 9466 1 17 . 1 1 15 15 LEU HA H 345 3.504 3.504 3.870 -0.366 17741 9467 1 17 . 1 1 15 15 LEU C C 345 178.149 178.149 179.159 -1.010 17741 9468 1 17 . 1 1 15 15 LEU CA C 345 56.473 56.473 56.603 -0.130 17741 9469 1 17 . 1 1 15 15 LEU CB C 345 41.322 41.322 40.892 0.430 17741 9470 1 17 . 1 1 15 15 LEU H H 345 7.503 7.503 7.948 -0.445 17741 9471 1 17 . 1 1 16 16 SER N N 346 112.491 112.491 112.285 0.206 17741 9472 1 17 . 1 1 16 16 SER HA H 346 4.522 4.522 4.617 -0.095 17741 9473 1 17 . 1 1 16 16 SER C C 346 172.441 172.441 174.296 -1.855 17741 9474 1 17 . 1 1 16 16 SER CA C 346 58.859 58.859 60.082 -1.223 17741 9475 1 17 . 1 1 16 16 SER CB C 346 63.987 63.987 64.041 -0.054 17741 9476 1 17 . 1 1 16 16 SER H H 346 7.277 7.277 8.158 -0.881 17741 9477 1 17 . 1 1 17 17 ASP N N 347 122.161 122.161 121.073 1.088 17741 9478 1 17 . 1 1 17 17 ASP HA H 347 4.966 4.966 4.916 0.050 17741 9479 1 17 . 1 1 17 17 ASP C C 347 175.692 175.692 176.633 -0.941 17741 9480 1 17 . 1 1 17 17 ASP CA C 347 52.805 52.805 52.907 -0.102 17741 9481 1 17 . 1 1 17 17 ASP CB C 347 43.392 43.392 43.116 0.276 17741 9482 1 17 . 1 1 17 17 ASP H H 347 7.345 7.345 7.890 -0.545 17741 9483 1 17 . 1 1 18 18 SER N N 348 120.164 120.164 121.823 -1.659 17741 9484 1 17 . 1 1 18 18 SER HA H 348 4.356 4.356 4.338 0.018 17741 9485 1 17 . 1 1 18 18 SER C C 348 176.200 176.200 176.338 -0.138 17741 9486 1 17 . 1 1 18 18 SER CA C 348 61.207 61.207 60.789 0.418 17741 9487 1 17 . 1 1 18 18 SER CB C 348 63.226 63.226 63.451 -0.225 17741 9488 1 17 . 1 1 18 18 SER H H 348 8.686 8.686 8.921 -0.235 17741 9489 1 17 . 1 1 19 19 ARG N N 349 122.701 122.701 121.137 1.564 17741 9490 1 17 . 1 1 19 19 ARG HA H 349 4.105 4.105 3.891 0.214 17741 9491 1 17 . 1 1 19 19 ARG C C 349 178.120 178.120 176.626 1.494 17741 9492 1 17 . 1 1 19 19 ARG CA C 349 58.604 58.604 58.194 0.410 17741 9493 1 17 . 1 1 19 19 ARG CB C 349 29.854 29.854 29.180 0.674 17741 9494 1 17 . 1 1 19 19 ARG H H 349 8.597 8.597 7.712 0.885 17741 9495 1 17 . 1 1 20 20 TYR N N 350 116.257 116.257 115.046 1.211 17741 9496 1 17 . 1 1 20 20 TYR HA H 350 4.884 4.884 4.918 -0.034 17741 9497 1 17 . 1 1 20 20 TYR C C 350 176.977 176.977 176.321 0.656 17741 9498 1 17 . 1 1 20 20 TYR CA C 350 58.758 58.758 56.492 2.266 17741 9499 1 17 . 1 1 20 20 TYR CB C 350 37.602 37.602 38.797 -1.195 17741 9500 1 17 . 1 1 20 20 TYR H H 350 8.285 8.285 7.493 0.792 17741 9501 1 17 . 1 1 21 21 GLU N N 351 120.807 120.807 121.632 -0.825 17741 9502 1 17 . 1 1 21 21 GLU HA H 351 4.454 4.454 4.350 0.104 17741 9503 1 17 . 1 1 21 21 GLU C C 351 176.277 176.277 177.534 -1.257 17741 9504 1 17 . 1 1 21 21 GLU CA C 351 59.135 59.135 58.806 0.329 17741 9505 1 17 . 1 1 21 21 GLU CB C 351 29.674 29.674 29.272 0.402 17741 9506 1 17 . 1 1 21 21 GLU H H 351 7.527 7.527 7.916 -0.389 17741 9507 1 17 . 1 1 22 22 ASN N N 352 114.501 114.501 116.674 -2.173 17741 9508 1 17 . 1 1 22 22 ASN HA H 352 4.471 4.471 4.465 0.006 17741 9509 1 17 . 1 1 22 22 ASN C C 352 174.426 174.426 175.788 -1.362 17741 9510 1 17 . 1 1 22 22 ASN CA C 352 54.002 54.002 54.292 -0.290 17741 9511 1 17 . 1 1 22 22 ASN CB C 352 36.943 36.943 37.577 -0.633 17741 9512 1 17 . 1 1 22 22 ASN H H 352 8.647 8.647 8.208 0.439 17741 9513 1 17 . 1 1 23 23 PHE N N 353 115.528 115.528 117.375 -1.847 17741 9514 1 17 . 1 1 23 23 PHE HA H 353 4.751 4.751 4.803 -0.052 17741 9515 1 17 . 1 1 23 23 PHE C C 353 176.374 176.374 175.529 0.845 17741 9516 1 17 . 1 1 23 23 PHE CA C 353 59.617 59.617 58.290 1.327 17741 9517 1 17 . 1 1 23 23 PHE CB C 353 41.431 41.431 41.513 -0.082 17741 9518 1 17 . 1 1 23 23 PHE H H 353 8.578 8.578 7.780 0.798 17741 9519 1 17 . 1 1 24 24 ILE N N 354 120.520 120.520 118.564 1.956 17741 9520 1 17 . 1 1 24 24 ILE HA H 354 5.063 5.063 5.057 0.006 17741 9521 1 17 . 1 1 24 24 ILE C C 354 170.331 170.331 172.945 -2.614 17741 9522 1 17 . 1 1 24 24 ILE CA C 354 59.835 59.835 60.655 -0.820 17741 9523 1 17 . 1 1 24 24 ILE CB C 354 40.605 40.605 41.796 -1.191 17741 9524 1 17 . 1 1 24 24 ILE H H 354 8.436 8.436 8.391 0.045 17741 9525 1 17 . 1 1 25 25 ARG N N 355 121.401 121.401 120.519 0.882 17741 9526 1 17 . 1 1 25 25 ARG HA H 355 4.916 4.916 4.820 0.096 17741 9527 1 17 . 1 1 25 25 ARG C C 355 175.099 175.099 174.186 0.913 17741 9528 1 17 . 1 1 25 25 ARG CA C 355 54.461 54.461 54.922 -0.461 17741 9529 1 17 . 1 1 25 25 ARG CB C 355 33.662 33.662 33.397 0.265 17741 9530 1 17 . 1 1 25 25 ARG H H 355 8.668 8.668 8.760 -0.092 17741 9531 1 17 . 1 1 26 26 TRP N N 356 122.022 122.022 123.511 -1.489 17741 9532 1 17 . 1 1 26 26 TRP HA H 356 4.894 4.894 4.893 0.001 17741 9533 1 17 . 1 1 26 26 TRP C C 356 176.606 176.606 176.975 -0.369 17741 9534 1 17 . 1 1 26 26 TRP CA C 356 57.835 57.835 57.617 0.218 17741 9535 1 17 . 1 1 26 26 TRP CB C 356 30.564 30.564 29.728 0.836 17741 9536 1 17 . 1 1 26 26 TRP H H 356 9.149 9.149 9.028 0.121 17741 9537 1 17 . 1 1 27 27 GLU N N 357 125.415 125.415 124.799 0.616 17741 9538 1 17 . 1 1 27 27 GLU HA H 357 4.686 4.686 4.464 0.222 17741 9539 1 17 . 1 1 27 27 GLU C C 357 176.709 176.709 176.201 0.508 17741 9540 1 17 . 1 1 27 27 GLU CA C 357 56.939 56.939 58.022 -1.083 17741 9541 1 17 . 1 1 27 27 GLU CB C 357 31.545 31.545 31.074 0.471 17741 9542 1 17 . 1 1 27 27 GLU H H 357 9.524 9.524 8.920 0.604 17741 9543 1 17 . 1 1 28 28 ASP N N 358 116.214 116.214 119.130 -2.916 17741 9544 1 17 . 1 1 28 28 ASP HA H 358 4.759 4.759 4.846 -0.087 17741 9545 1 17 . 1 1 28 28 ASP C C 358 176.124 176.124 175.443 0.681 17741 9546 1 17 . 1 1 28 28 ASP CA C 358 53.481 53.481 53.868 -0.387 17741 9547 1 17 . 1 1 28 28 ASP CB C 358 41.921 41.921 42.505 -0.584 17741 9548 1 17 . 1 1 28 28 ASP H H 358 7.828 7.828 8.197 -0.369 17741 9549 1 17 . 1 1 29 29 LYS N N 359 127.750 127.750 124.689 3.061 17741 9550 1 17 . 1 1 29 29 LYS HA H 359 3.162 3.162 2.853 0.309 17741 9551 1 17 . 1 1 29 29 LYS C C 359 178.683 178.683 177.345 1.338 17741 9552 1 17 . 1 1 29 29 LYS CA C 359 60.173 60.173 58.841 1.332 17741 9553 1 17 . 1 1 29 29 LYS CB C 359 32.728 32.728 32.055 0.673 17741 9554 1 17 . 1 1 29 29 LYS H H 359 9.221 9.221 8.453 0.768 17741 9555 1 17 . 1 1 30 30 GLU N N 360 119.608 119.608 115.364 4.244 17741 9556 1 17 . 1 1 30 30 GLU HA H 360 3.923 3.923 4.113 -0.190 17741 9557 1 17 . 1 1 30 30 GLU C C 360 178.598 178.598 177.781 0.817 17741 9558 1 17 . 1 1 30 30 GLU CA C 360 59.512 59.512 57.612 1.900 17741 9559 1 17 . 1 1 30 30 GLU CB C 360 29.188 29.188 28.922 0.266 17741 9560 1 17 . 1 1 30 30 GLU H H 360 8.343 8.343 8.560 -0.217 17741 9561 1 17 . 1 1 31 31 SER N N 361 113.313 113.313 114.352 -1.039 17741 9562 1 17 . 1 1 31 31 SER HA H 361 4.485 4.485 4.448 0.037 17741 9563 1 17 . 1 1 31 31 SER C C 361 172.284 172.284 173.616 -1.332 17741 9564 1 17 . 1 1 31 31 SER CA C 361 58.745 58.745 58.289 0.456 17741 9565 1 17 . 1 1 31 31 SER CB C 361 63.728 63.728 63.417 0.311 17741 9566 1 17 . 1 1 31 31 SER H H 361 7.466 7.466 7.582 -0.116 17741 9567 1 17 . 1 1 32 32 LYS N N 362 115.197 115.197 118.707 -3.510 17741 9568 1 17 . 1 1 32 32 LYS HA H 362 3.894 3.894 3.864 0.030 17741 9569 1 17 . 1 1 32 32 LYS C C 362 175.489 175.489 175.135 0.354 17741 9570 1 17 . 1 1 32 32 LYS CA C 362 57.641 57.641 57.363 0.278 17741 9571 1 17 . 1 1 32 32 LYS CB C 362 29.811 29.811 30.237 -0.426 17741 9572 1 17 . 1 1 32 32 LYS H H 362 7.741 7.741 7.634 0.107 17741 9573 1 17 . 1 1 33 33 ILE N N 363 118.359 118.359 119.182 -0.823 17741 9574 1 17 . 1 1 33 33 ILE HA H 363 5.356 5.356 5.197 0.159 17741 9575 1 17 . 1 1 33 33 ILE C C 363 177.019 177.019 175.527 1.492 17741 9576 1 17 . 1 1 33 33 ILE CA C 363 60.455 60.455 60.802 -0.347 17741 9577 1 17 . 1 1 33 33 ILE CB C 363 40.081 40.081 39.738 0.343 17741 9578 1 17 . 1 1 33 33 ILE H H 363 8.268 8.268 8.442 -0.174 17741 9579 1 17 . 1 1 34 34 PHE N N 364 128.287 128.287 125.398 2.889 17741 9580 1 17 . 1 1 34 34 PHE HA H 364 5.576 5.576 5.742 -0.166 17741 9581 1 17 . 1 1 34 34 PHE C C 364 170.447 170.447 172.918 -2.471 17741 9582 1 17 . 1 1 34 34 PHE CA C 364 55.128 55.128 55.456 -0.328 17741 9583 1 17 . 1 1 34 34 PHE CB C 364 44.010 44.010 43.081 0.929 17741 9584 1 17 . 1 1 34 34 PHE H H 364 9.962 9.962 9.507 0.455 17741 9585 1 17 . 1 1 35 35 ARG N N 365 120.900 120.900 121.779 -0.879 17741 9586 1 17 . 1 1 35 35 ARG HA H 365 5.486 5.486 5.145 0.341 17741 9587 1 17 . 1 1 35 35 ARG C C 365 176.462 176.462 175.582 0.880 17741 9588 1 17 . 1 1 35 35 ARG CA C 365 53.609 53.609 53.726 -0.117 17741 9589 1 17 . 1 1 35 35 ARG CB C 365 36.518 36.518 33.017 3.501 17741 9590 1 17 . 1 1 35 35 ARG H H 365 9.427 9.427 9.312 0.115 17741 9591 1 17 . 1 1 36 36 ILE N N 366 125.534 125.534 128.745 -3.211 17741 9592 1 17 . 1 1 36 36 ILE HA H 366 4.209 4.209 4.168 0.041 17741 9593 1 17 . 1 1 36 36 ILE C C 366 173.899 173.899 174.969 -1.070 17741 9594 1 17 . 1 1 36 36 ILE CA C 366 63.033 63.033 63.139 -0.106 17741 9595 1 17 . 1 1 36 36 ILE CB C 366 37.889 37.889 37.541 0.348 17741 9596 1 17 . 1 1 36 36 ILE H H 366 8.643 8.643 9.140 -0.497 17741 9597 1 17 . 1 1 37 37 VAL N N 367 129.194 129.194 126.193 3.001 17741 9598 1 17 . 1 1 37 37 VAL HA H 367 3.679 3.679 4.047 -0.368 17741 9599 1 17 . 1 1 37 37 VAL C C 367 175.919 175.919 176.027 -0.108 17741 9600 1 17 . 1 1 37 37 VAL CA C 367 64.068 64.068 64.336 -0.268 17741 9601 1 17 . 1 1 37 37 VAL CB C 367 32.884 32.884 32.388 0.496 17741 9602 1 17 . 1 1 37 37 VAL H H 367 7.841 7.841 8.403 -0.562 17741 9603 1 17 . 1 1 38 38 ASP N N 368 114.969 114.969 118.268 -3.299 17741 9604 1 17 . 1 1 38 38 ASP HA H 368 5.222 5.222 5.068 0.154 17741 9605 1 17 . 1 1 38 38 ASP C C 368 173.227 173.227 174.557 -1.330 17741 9606 1 17 . 1 1 38 38 ASP CA C 368 50.238 50.238 50.953 -0.716 17741 9607 1 17 . 1 1 38 38 ASP CB C 368 42.181 42.181 42.143 0.038 17741 9608 1 17 . 1 1 38 38 ASP H H 368 7.316 7.316 8.107 -0.791 17741 9609 1 17 . 1 1 39 39 PRO HA H 369 3.809 3.809 4.050 -0.240 17741 9610 1 17 . 1 1 39 39 PRO C C 369 177.958 177.958 178.474 -0.516 17741 9611 1 17 . 1 1 39 39 PRO CA C 369 65.612 65.612 64.869 0.743 17741 9612 1 17 . 1 1 39 39 PRO CB C 369 31.068 31.068 31.843 -0.775 17741 9613 1 17 . 1 1 40 40 ASN N N 370 115.480 115.480 117.500 -2.020 17741 9614 1 17 . 1 1 40 40 ASN HA H 370 4.604 4.604 4.485 0.119 17741 9615 1 17 . 1 1 40 40 ASN C C 370 178.566 178.566 177.682 0.884 17741 9616 1 17 . 1 1 40 40 ASN CA C 370 56.471 56.471 56.528 -0.056 17741 9617 1 17 . 1 1 40 40 ASN CB C 370 38.068 38.068 38.325 -0.257 17741 9618 1 17 . 1 1 40 40 ASN H H 370 8.094 8.094 8.132 -0.038 17741 9619 1 17 . 1 1 41 41 GLY N N 371 111.371 111.371 107.776 3.595 17741 9620 1 17 . 1 1 41 41 GLY C C 371 176.018 176.018 175.672 0.346 17741 9621 1 17 . 1 1 41 41 GLY CA C 371 47.862 47.862 46.243 1.619 17741 9622 1 17 . 1 1 41 41 GLY H H 371 8.632 8.632 8.535 0.097 17741 9623 1 17 . 1 1 42 42 LEU N N 372 122.901 122.901 122.659 0.242 17741 9624 1 17 . 1 1 42 42 LEU HA H 372 4.035 4.035 4.083 -0.048 17741 9625 1 17 . 1 1 42 42 LEU C C 372 177.704 177.704 178.308 -0.604 17741 9626 1 17 . 1 1 42 42 LEU CA C 372 57.913 57.913 56.699 1.214 17741 9627 1 17 . 1 1 42 42 LEU CB C 372 42.136 42.136 41.287 0.849 17741 9628 1 17 . 1 1 42 42 LEU H H 372 8.876 8.876 7.978 0.898 17741 9629 1 17 . 1 1 43 43 ALA N N 373 120.103 120.103 121.795 -1.692 17741 9630 1 17 . 1 1 43 43 ALA HA H 373 4.462 4.462 4.238 0.224 17741 9631 1 17 . 1 1 43 43 ALA C C 373 179.091 179.091 179.038 0.053 17741 9632 1 17 . 1 1 43 43 ALA CA C 373 55.441 55.441 55.356 0.085 17741 9633 1 17 . 1 1 43 43 ALA CB C 373 18.098 18.098 18.531 -0.433 17741 9634 1 17 . 1 1 43 43 ALA H H 373 8.062 8.062 8.659 -0.597 17741 9635 1 17 . 1 1 44 44 ARG N N 374 118.071 118.071 118.938 -0.867 17741 9636 1 17 . 1 1 44 44 ARG HA H 374 4.117 4.117 4.070 0.047 17741 9637 1 17 . 1 1 44 44 ARG C C 374 179.414 179.414 178.334 1.080 17741 9638 1 17 . 1 1 44 44 ARG CA C 374 59.297 59.297 59.107 0.190 17741 9639 1 17 . 1 1 44 44 ARG CB C 374 30.069 30.069 29.849 0.220 17741 9640 1 17 . 1 1 44 44 ARG H H 374 7.725 7.725 7.675 0.050 17741 9641 1 17 . 1 1 45 45 LEU N N 375 121.601 121.601 121.489 0.112 17741 9642 1 17 . 1 1 45 45 LEU HA H 375 4.015 4.015 4.192 -0.177 17741 9643 1 17 . 1 1 45 45 LEU C C 375 180.087 180.087 178.804 1.283 17741 9644 1 17 . 1 1 45 45 LEU CA C 375 58.553 58.553 58.144 0.409 17741 9645 1 17 . 1 1 45 45 LEU CB C 375 41.495 41.495 41.362 0.133 17741 9646 1 17 . 1 1 45 45 LEU H H 375 7.877 7.877 7.519 0.358 17741 9647 1 17 . 1 1 46 46 TRP N N 376 121.543 121.543 121.189 0.354 17741 9648 1 17 . 1 1 46 46 TRP HA H 376 4.333 4.333 3.885 0.448 17741 9649 1 17 . 1 1 46 46 TRP C C 376 177.572 177.572 178.397 -0.825 17741 9650 1 17 . 1 1 46 46 TRP CA C 376 59.091 59.091 59.405 -0.314 17741 9651 1 17 . 1 1 46 46 TRP CB C 376 30.305 30.305 29.644 0.661 17741 9652 1 17 . 1 1 46 46 TRP H H 376 8.615 8.615 8.693 -0.078 17741 9653 1 17 . 1 1 47 47 GLY N N 377 105.532 105.532 105.521 0.011 17741 9654 1 17 . 1 1 47 47 GLY C C 377 176.057 176.057 175.987 0.070 17741 9655 1 17 . 1 1 47 47 GLY CA C 377 48.035 48.035 46.974 1.061 17741 9656 1 17 . 1 1 47 47 GLY H H 377 8.877 8.877 8.903 -0.026 17741 9657 1 17 . 1 1 48 48 ASN N N 378 119.996 119.996 120.721 -0.725 17741 9658 1 17 . 1 1 48 48 ASN HA H 378 4.403 4.403 4.410 -0.007 17741 9659 1 17 . 1 1 48 48 ASN C C 378 178.112 178.112 177.536 0.576 17741 9660 1 17 . 1 1 48 48 ASN CA C 378 56.229 56.229 55.841 0.388 17741 9661 1 17 . 1 1 48 48 ASN CB C 378 38.272 38.272 38.317 -0.045 17741 9662 1 17 . 1 1 48 48 ASN H H 378 8.176 8.176 7.839 0.337 17741 9663 1 17 . 1 1 49 49 HIS N N 379 121.459 121.459 119.125 2.334 17741 9664 1 17 . 1 1 49 49 HIS HA H 379 4.129 4.129 4.230 -0.101 17741 9665 1 17 . 1 1 49 49 HIS C C 379 175.858 175.858 176.066 -0.208 17741 9666 1 17 . 1 1 49 49 HIS CA C 379 59.234 59.234 58.634 0.600 17741 9667 1 17 . 1 1 49 49 HIS CB C 379 29.473 29.473 29.630 -0.157 17741 9668 1 17 . 1 1 49 49 HIS H H 379 8.138 8.138 8.040 0.098 17741 9669 1 17 . 1 1 50 50 LYS N N 380 115.130 115.130 115.503 -0.373 17741 9670 1 17 . 1 1 50 50 LYS HA H 380 3.797 3.797 3.996 -0.199 17741 9671 1 17 . 1 1 50 50 LYS C C 380 175.468 175.468 175.453 0.015 17741 9672 1 17 . 1 1 50 50 LYS CA C 380 54.085 54.085 55.718 -1.633 17741 9673 1 17 . 1 1 50 50 LYS CB C 380 30.887 30.887 32.706 -1.819 17741 9674 1 17 . 1 1 50 50 LYS H H 380 7.552 7.552 7.399 0.153 17741 9675 1 17 . 1 1 51 51 ASN N N 381 116.632 116.632 115.880 0.752 17741 9676 1 17 . 1 1 51 51 ASN HA H 381 4.264 4.264 4.263 0.001 17741 9677 1 17 . 1 1 51 51 ASN C C 381 174.332 174.332 173.727 0.605 17741 9678 1 17 . 1 1 51 51 ASN CA C 381 54.189 54.189 54.020 0.169 17741 9679 1 17 . 1 1 51 51 ASN CB C 381 37.343 37.343 37.793 -0.450 17741 9680 1 17 . 1 1 51 51 ASN H H 381 7.715 7.715 7.681 0.034 17741 9681 1 17 . 1 1 52 52 ARG N N 382 117.701 117.701 118.579 -0.878 17741 9682 1 17 . 1 1 52 52 ARG HA H 382 4.583 4.583 4.663 -0.080 17741 9683 1 17 . 1 1 52 52 ARG C C 382 176.172 176.172 175.989 0.183 17741 9684 1 17 . 1 1 52 52 ARG CA C 382 54.167 54.167 53.939 0.228 17741 9685 1 17 . 1 1 52 52 ARG CB C 382 31.882 31.882 31.255 0.627 17741 9686 1 17 . 1 1 52 52 ARG H H 382 8.465 8.465 8.224 0.241 17741 9687 1 17 . 1 1 53 53 THR N N 383 114.338 114.338 117.976 -3.638 17741 9688 1 17 . 1 1 53 53 THR HA H 383 4.208 4.208 4.139 0.069 17741 9689 1 17 . 1 1 53 53 THR C C 383 174.496 174.496 175.613 -1.117 17741 9690 1 17 . 1 1 53 53 THR CA C 383 62.345 62.345 64.814 -2.469 17741 9691 1 17 . 1 1 53 53 THR CB C 383 69.699 69.699 68.963 0.736 17741 9692 1 17 . 1 1 53 53 THR H H 383 8.274 8.274 8.646 -0.372 17741 9693 1 17 . 1 1 54 54 ASN N N 384 119.031 119.031 120.064 -1.033 17741 9694 1 17 . 1 1 54 54 ASN HA H 384 4.607 4.607 4.757 -0.150 17741 9695 1 17 . 1 1 54 54 ASN C C 384 174.829 174.829 173.767 1.062 17741 9696 1 17 . 1 1 54 54 ASN CA C 384 53.155 53.155 52.850 0.305 17741 9697 1 17 . 1 1 54 54 ASN CB C 384 37.871 37.871 37.496 0.375 17741 9698 1 17 . 1 1 54 54 ASN H H 384 8.457 8.457 8.441 0.016 17741 9699 1 17 . 1 1 55 55 MET N N 385 119.922 119.922 121.146 -1.224 17741 9700 1 17 . 1 1 55 55 MET HA H 385 4.558 4.558 4.581 -0.023 17741 9701 1 17 . 1 1 55 55 MET C C 385 174.921 174.921 174.463 0.458 17741 9702 1 17 . 1 1 55 55 MET CA C 385 55.271 55.271 54.602 0.669 17741 9703 1 17 . 1 1 55 55 MET CB C 385 30.991 30.991 34.357 -3.366 17741 9704 1 17 . 1 1 55 55 MET H H 385 8.073 8.073 7.465 0.608 17741 9705 1 17 . 1 1 56 56 THR N N 386 113.771 113.771 116.794 -3.023 17741 9706 1 17 . 1 1 56 56 THR HA H 386 4.693 4.693 4.652 0.041 17741 9707 1 17 . 1 1 56 56 THR C C 386 175.459 175.459 174.449 1.010 17741 9708 1 17 . 1 1 56 56 THR CA C 386 59.043 59.043 59.621 -0.578 17741 9709 1 17 . 1 1 56 56 THR CB C 386 72.393 72.393 72.195 0.198 17741 9710 1 17 . 1 1 56 56 THR H H 386 7.076 7.076 8.288 -1.212 17741 9711 1 17 . 1 1 57 57 TYR N N 387 123.521 123.521 122.419 1.102 17741 9712 1 17 . 1 1 57 57 TYR HA H 387 4.127 4.127 4.215 -0.088 17741 9713 1 17 . 1 1 57 57 TYR C C 387 177.432 177.432 177.251 0.181 17741 9714 1 17 . 1 1 57 57 TYR CA C 387 62.527 62.527 61.517 1.010 17741 9715 1 17 . 1 1 57 57 TYR CB C 387 37.289 37.289 38.768 -1.479 17741 9716 1 17 . 1 1 57 57 TYR H H 387 9.726 9.726 8.929 0.797 17741 9717 1 17 . 1 1 58 58 GLU N N 388 121.083 121.083 120.023 1.060 17741 9718 1 17 . 1 1 58 58 GLU HA H 388 3.825 3.825 3.851 -0.026 17741 9719 1 17 . 1 1 58 58 GLU C C 388 179.225 179.225 178.752 0.473 17741 9720 1 17 . 1 1 58 58 GLU CA C 388 60.476 60.476 60.148 0.328 17741 9721 1 17 . 1 1 58 58 GLU CB C 388 29.087 29.087 28.845 0.242 17741 9722 1 17 . 1 1 58 58 GLU H H 388 8.843 8.843 8.785 0.058 17741 9723 1 17 . 1 1 59 59 LYS N N 389 119.209 119.209 119.206 0.003 17741 9724 1 17 . 1 1 59 59 LYS HA H 389 3.971 3.971 3.947 0.024 17741 9725 1 17 . 1 1 59 59 LYS C C 389 179.944 179.944 179.015 0.929 17741 9726 1 17 . 1 1 59 59 LYS CA C 389 59.897 59.897 59.117 0.780 17741 9727 1 17 . 1 1 59 59 LYS CB C 389 33.359 33.359 32.027 1.332 17741 9728 1 17 . 1 1 59 59 LYS H H 389 7.605 7.605 7.526 0.079 17741 9729 1 17 . 1 1 60 60 MET N N 390 122.401 122.401 120.151 2.250 17741 9730 1 17 . 1 1 60 60 MET HA H 390 3.944 3.944 3.854 0.090 17741 9731 1 17 . 1 1 60 60 MET C C 390 177.716 177.716 177.434 0.282 17741 9732 1 17 . 1 1 60 60 MET CA C 390 59.547 59.547 59.204 0.343 17741 9733 1 17 . 1 1 60 60 MET CB C 390 33.315 33.315 32.172 1.143 17741 9734 1 17 . 1 1 60 60 MET H H 390 8.229 8.229 7.583 0.646 17741 9735 1 17 . 1 1 61 61 SER N N 391 114.652 114.652 114.744 -0.092 17741 9736 1 17 . 1 1 61 61 SER HA H 391 3.771 3.771 3.773 -0.002 17741 9737 1 17 . 1 1 61 61 SER C C 391 176.449 176.449 176.309 0.140 17741 9738 1 17 . 1 1 61 61 SER CA C 391 61.554 61.554 61.508 0.046 17741 9739 1 17 . 1 1 61 61 SER CB C 391 62.278 62.278 62.746 -0.468 17741 9740 1 17 . 1 1 61 61 SER H H 391 8.829 8.829 8.205 0.624 17741 9741 1 17 . 1 1 62 62 ARG N N 392 122.213 122.213 120.798 1.415 17741 9742 1 17 . 1 1 62 62 ARG HA H 392 3.945 3.945 3.802 0.143 17741 9743 1 17 . 1 1 62 62 ARG C C 392 178.600 178.600 178.430 0.170 17741 9744 1 17 . 1 1 62 62 ARG CA C 392 59.571 59.571 58.752 0.819 17741 9745 1 17 . 1 1 62 62 ARG CB C 392 29.914 29.914 29.506 0.408 17741 9746 1 17 . 1 1 62 62 ARG H H 392 7.413 7.413 8.076 -0.663 17741 9747 1 17 . 1 1 63 63 ALA N N 393 122.327 122.327 122.447 -0.120 17741 9748 1 17 . 1 1 63 63 ALA HA H 393 4.157 4.157 3.755 0.402 17741 9749 1 17 . 1 1 63 63 ALA C C 393 180.147 180.147 179.335 0.812 17741 9750 1 17 . 1 1 63 63 ALA CA C 393 54.749 54.749 54.666 0.083 17741 9751 1 17 . 1 1 63 63 ALA CB C 393 18.529 18.529 17.721 0.808 17741 9752 1 17 . 1 1 63 63 ALA H H 393 7.256 7.256 7.653 -0.397 17741 9753 1 17 . 1 1 64 64 LEU N N 394 117.582 117.582 118.070 -0.488 17741 9754 1 17 . 1 1 64 64 LEU HA H 394 3.769 3.769 3.419 0.350 17741 9755 1 17 . 1 1 64 64 LEU C C 394 178.139 178.139 178.792 -0.653 17741 9756 1 17 . 1 1 64 64 LEU CA C 394 58.012 58.012 57.331 0.681 17741 9757 1 17 . 1 1 64 64 LEU CB C 394 41.396 41.396 41.067 0.329 17741 9758 1 17 . 1 1 64 64 LEU H H 394 7.768 7.768 8.085 -0.317 17741 9759 1 17 . 1 1 65 65 ARG N N 395 116.204 116.204 117.067 -0.863 17741 9760 1 17 . 1 1 65 65 ARG HA H 395 3.445 3.445 3.323 0.122 17741 9761 1 17 . 1 1 65 65 ARG C C 395 179.423 179.423 179.505 -0.082 17741 9762 1 17 . 1 1 65 65 ARG CA C 395 58.829 58.829 58.179 0.650 17741 9763 1 17 . 1 1 65 65 ARG CB C 395 29.776 29.776 29.052 0.724 17741 9764 1 17 . 1 1 65 65 ARG H H 395 7.595 7.595 8.106 -0.511 17741 9765 1 17 . 1 1 66 66 HIS N N 396 118.573 118.573 120.960 -2.387 17741 9766 1 17 . 1 1 66 66 HIS HA H 396 4.401 4.401 4.349 0.052 17741 9767 1 17 . 1 1 66 66 HIS C C 396 177.218 177.218 177.533 -0.315 17741 9768 1 17 . 1 1 66 66 HIS CA C 396 58.821 58.821 59.207 -0.386 17741 9769 1 17 . 1 1 66 66 HIS CB C 396 29.753 29.753 29.671 0.082 17741 9770 1 17 . 1 1 66 66 HIS H H 396 7.362 7.362 8.020 -0.658 17741 9771 1 17 . 1 1 67 67 TYR N N 397 115.773 115.773 119.099 -3.326 17741 9772 1 17 . 1 1 67 67 TYR HA H 397 4.259 4.259 4.102 0.157 17741 9773 1 17 . 1 1 67 67 TYR C C 397 178.802 178.802 178.250 0.552 17741 9774 1 17 . 1 1 67 67 TYR CA C 397 60.329 60.329 59.687 0.642 17741 9775 1 17 . 1 1 67 67 TYR CB C 397 37.379 37.379 36.719 0.660 17741 9776 1 17 . 1 1 67 67 TYR H H 397 7.568 7.568 8.018 -0.450 17741 9777 1 17 . 1 1 68 68 TYR N N 398 121.825 121.825 118.323 3.502 17741 9778 1 17 . 1 1 68 68 TYR HA H 398 5.413 5.413 4.670 0.743 17741 9779 1 17 . 1 1 68 68 TYR C C 398 181.169 181.169 178.790 2.379 17741 9780 1 17 . 1 1 68 68 TYR CA C 398 57.775 57.775 59.632 -1.857 17741 9781 1 17 . 1 1 68 68 TYR CB C 398 36.972 36.972 37.158 -0.186 17741 9782 1 17 . 1 1 68 68 TYR H H 398 8.116 8.116 7.349 0.767 17741 9783 1 17 . 1 1 69 69 LYS N N 399 120.934 120.934 118.507 2.427 17741 9784 1 17 . 1 1 69 69 LYS HA H 399 4.127 4.127 4.125 0.002 17741 9785 1 17 . 1 1 69 69 LYS C C 399 177.928 177.928 178.015 -0.087 17741 9786 1 17 . 1 1 69 69 LYS CA C 399 58.912 58.912 59.011 -0.099 17741 9787 1 17 . 1 1 69 69 LYS CB C 399 32.188 32.188 31.946 0.242 17741 9788 1 17 . 1 1 69 69 LYS H H 399 7.771 7.771 8.238 -0.467 17741 9789 1 17 . 1 1 70 70 LEU N N 400 116.022 116.022 117.006 -0.984 17741 9790 1 17 . 1 1 70 70 LEU HA H 400 4.291 4.291 4.321 -0.030 17741 9791 1 17 . 1 1 70 70 LEU C C 400 175.827 175.827 176.210 -0.383 17741 9792 1 17 . 1 1 70 70 LEU CA C 400 54.675 54.675 54.462 0.213 17741 9793 1 17 . 1 1 70 70 LEU CB C 400 43.081 43.081 41.171 1.910 17741 9794 1 17 . 1 1 70 70 LEU H H 400 7.144 7.144 7.542 -0.398 17741 9795 1 17 . 1 1 71 71 ASN N N 401 115.201 115.201 115.594 -0.393 17741 9796 1 17 . 1 1 71 71 ASN HA H 401 4.352 4.352 4.393 -0.041 17741 9797 1 17 . 1 1 71 71 ASN C C 401 173.517 173.517 174.731 -1.214 17741 9798 1 17 . 1 1 71 71 ASN CA C 401 54.602 54.602 54.715 -0.113 17741 9799 1 17 . 1 1 71 71 ASN CB C 401 37.381 37.381 37.119 0.262 17741 9800 1 17 . 1 1 71 71 ASN H H 401 8.047 8.047 7.781 0.266 17741 9801 1 17 . 1 1 72 72 ILE N N 402 113.907 113.907 117.154 -3.247 17741 9802 1 17 . 1 1 72 72 ILE HA H 402 4.059 4.059 4.005 0.054 17741 9803 1 17 . 1 1 72 72 ILE C C 402 176.279 176.279 175.339 0.940 17741 9804 1 17 . 1 1 72 72 ILE CA C 402 63.797 63.797 63.102 0.695 17741 9805 1 17 . 1 1 72 72 ILE CB C 402 40.395 40.395 39.595 0.800 17741 9806 1 17 . 1 1 72 72 ILE H H 402 7.986 7.986 8.604 -0.618 17741 9807 1 17 . 1 1 73 73 ILE N N 403 116.766 116.766 115.577 1.189 17741 9808 1 17 . 1 1 73 73 ILE HA H 403 5.042 5.042 4.684 0.358 17741 9809 1 17 . 1 1 73 73 ILE C C 403 173.945 173.945 174.294 -0.349 17741 9810 1 17 . 1 1 73 73 ILE CA C 403 59.247 59.247 59.330 -0.083 17741 9811 1 17 . 1 1 73 73 ILE CB C 403 43.414 43.414 42.042 1.372 17741 9812 1 17 . 1 1 73 73 ILE H H 403 7.042 7.042 7.212 -0.170 17741 9813 1 17 . 1 1 74 74 ARG N N 404 123.256 123.256 120.379 2.877 17741 9814 1 17 . 1 1 74 74 ARG HA H 404 4.751 4.751 4.408 0.343 17741 9815 1 17 . 1 1 74 74 ARG C C 404 174.757 174.757 173.672 1.085 17741 9816 1 17 . 1 1 74 74 ARG CA C 404 54.274 54.274 54.612 -0.338 17741 9817 1 17 . 1 1 74 74 ARG CB C 404 34.492 34.492 33.484 1.008 17741 9818 1 17 . 1 1 74 74 ARG H H 404 8.931 8.931 9.160 -0.229 17741 9819 1 17 . 1 1 75 75 LYS N N 405 125.627 125.627 121.259 4.368 17741 9820 1 17 . 1 1 75 75 LYS HA H 405 4.076 4.076 4.470 -0.394 17741 9821 1 17 . 1 1 75 75 LYS C C 405 176.481 176.481 176.001 0.480 17741 9822 1 17 . 1 1 75 75 LYS CA C 405 56.446 56.446 53.900 2.546 17741 9823 1 17 . 1 1 75 75 LYS CB C 405 32.758 32.758 33.864 -1.107 17741 9824 1 17 . 1 1 75 75 LYS H H 405 8.294 8.294 8.099 0.195 17741 9825 1 17 . 1 1 76 76 GLU N N 406 128.187 128.187 125.719 2.468 17741 9826 1 17 . 1 1 76 76 GLU HA H 406 4.447 4.447 4.552 -0.105 17741 9827 1 17 . 1 1 76 76 GLU C C 406 174.401 174.401 174.960 -0.559 17741 9828 1 17 . 1 1 76 76 GLU CA C 406 53.751 53.751 53.240 0.511 17741 9829 1 17 . 1 1 76 76 GLU CB C 406 29.951 29.951 28.256 1.694 17741 9830 1 17 . 1 1 76 76 GLU H H 406 8.016 8.016 8.058 -0.042 17741 9831 1 17 . 1 1 77 77 PRO HA H 407 4.288 4.288 4.343 -0.055 17741 9832 1 17 . 1 1 77 77 PRO C C 407 177.654 177.654 176.844 0.810 17741 9833 1 17 . 1 1 77 77 PRO CA C 407 63.433 63.433 63.099 0.334 17741 9834 1 17 . 1 1 77 77 PRO CB C 407 32.152 32.152 31.055 1.097 17741 9835 1 17 . 1 1 78 78 GLY N N 408 109.679 109.679 113.970 -4.291 17741 9836 1 17 . 1 1 78 78 GLY C C 408 173.976 173.976 174.503 -0.527 17741 9837 1 17 . 1 1 78 78 GLY CA C 408 45.539 45.539 44.766 0.773 17741 9838 1 17 . 1 1 78 78 GLY H H 408 8.514 8.514 8.499 0.015 17741 9839 1 17 . 1 1 79 79 GLN N N 409 116.897 116.897 120.688 -3.791 17741 9840 1 17 . 1 1 79 79 GLN HA H 409 4.489 4.489 4.372 0.117 17741 9841 1 17 . 1 1 79 79 GLN C C 409 175.371 175.371 175.819 -0.448 17741 9842 1 17 . 1 1 79 79 GLN CA C 409 54.472 54.472 55.356 -0.884 17741 9843 1 17 . 1 1 79 79 GLN CB C 409 31.301 31.301 29.420 1.881 17741 9844 1 17 . 1 1 79 79 GLN H H 409 7.572 7.572 8.783 -1.211 17741 9845 1 17 . 1 1 80 80 ARG N N 410 120.458 120.458 118.921 1.537 17741 9846 1 17 . 1 1 80 80 ARG HA H 410 4.275 4.275 4.219 0.056 17741 9847 1 17 . 1 1 80 80 ARG C C 410 176.227 176.227 177.409 -1.182 17741 9848 1 17 . 1 1 80 80 ARG CA C 410 56.891 56.891 57.858 -0.967 17741 9849 1 17 . 1 1 80 80 ARG CB C 410 31.475 31.475 29.950 1.525 17741 9850 1 17 . 1 1 80 80 ARG H H 410 8.254 8.254 8.484 -0.230 17741 9851 1 17 . 1 1 81 81 LEU N N 411 119.424 119.424 120.375 -0.951 17741 9852 1 17 . 1 1 81 81 LEU HA H 411 4.048 4.048 4.535 -0.487 17741 9853 1 17 . 1 1 81 81 LEU C C 411 173.277 173.277 175.343 -2.066 17741 9854 1 17 . 1 1 81 81 LEU CA C 411 55.111 55.111 53.648 1.464 17741 9855 1 17 . 1 1 81 81 LEU CB C 411 40.298 40.298 41.514 -1.216 17741 9856 1 17 . 1 1 81 81 LEU H H 411 8.467 8.467 7.926 0.541 17741 9857 1 17 . 1 1 82 82 LEU N N 412 119.126 119.126 122.019 -2.893 17741 9858 1 17 . 1 1 82 82 LEU HA H 412 5.036 5.036 4.794 0.242 17741 9859 1 17 . 1 1 82 82 LEU C C 412 175.323 175.323 174.683 0.640 17741 9860 1 17 . 1 1 82 82 LEU CA C 412 53.175 53.175 53.606 -0.431 17741 9861 1 17 . 1 1 82 82 LEU CB C 412 45.482 45.482 42.849 2.633 17741 9862 1 17 . 1 1 82 82 LEU H H 412 6.769 6.769 7.153 -0.384 17741 9863 1 17 . 1 1 83 83 PHE N N 413 122.107 122.107 123.862 -1.755 17741 9864 1 17 . 1 1 83 83 PHE HA H 413 4.848 4.848 4.897 -0.049 17741 9865 1 17 . 1 1 83 83 PHE C C 413 172.764 172.764 173.603 -0.839 17741 9866 1 17 . 1 1 83 83 PHE CA C 413 55.848 55.848 56.185 -0.337 17741 9867 1 17 . 1 1 83 83 PHE CB C 413 44.675 44.675 43.044 1.631 17741 9868 1 17 . 1 1 83 83 PHE H H 413 8.648 8.648 8.989 -0.341 17741 9869 1 17 . 1 1 84 84 ARG N N 414 119.466 119.466 121.936 -2.470 17741 9870 1 17 . 1 1 84 84 ARG HA H 414 5.578 5.578 5.436 0.142 17741 9871 1 17 . 1 1 84 84 ARG C C 414 177.476 177.476 175.347 2.129 17741 9872 1 17 . 1 1 84 84 ARG CA C 414 54.198 54.198 54.214 -0.016 17741 9873 1 17 . 1 1 84 84 ARG CB C 414 36.128 36.128 33.621 2.507 17741 9874 1 17 . 1 1 84 84 ARG H H 414 9.117 9.117 8.692 0.425 17741 9875 1 17 . 1 1 85 85 PHE N N 415 124.357 124.357 128.241 -3.884 17741 9876 1 17 . 1 1 85 85 PHE HA H 415 5.037 5.037 4.764 0.273 17741 9877 1 17 . 1 1 85 85 PHE C C 415 176.084 176.084 176.334 -0.250 17741 9878 1 17 . 1 1 85 85 PHE CA C 415 59.719 59.719 59.896 -0.177 17741 9879 1 17 . 1 1 85 85 PHE CB C 415 40.812 40.812 39.302 1.510 17741 9880 1 17 . 1 1 85 85 PHE H H 415 8.984 8.984 9.728 -0.744 17741 9881 1 17 . 1 1 86 86 MET N N 416 121.301 121.301 124.021 -2.720 17741 9882 1 17 . 1 1 86 86 MET HA H 416 4.670 4.670 4.251 0.419 17741 9883 1 17 . 1 1 86 86 MET C C 416 176.543 176.543 176.576 -0.033 17741 9884 1 17 . 1 1 86 86 MET CA C 416 54.863 54.863 57.270 -2.408 17741 9885 1 17 . 1 1 86 86 MET CB C 416 31.711 31.711 32.303 -0.593 17741 9886 1 17 . 1 1 86 86 MET H H 416 8.671 8.671 8.875 -0.204 17741 9887 1 17 . 1 1 87 87 LYS N N 417 117.759 117.759 116.481 1.278 17741 9888 1 17 . 1 1 87 87 LYS HA H 417 4.856 4.856 4.652 0.204 17741 9889 1 17 . 1 1 87 87 LYS C C 417 175.445 175.445 174.944 0.501 17741 9890 1 17 . 1 1 87 87 LYS CA C 417 54.550 54.550 54.579 -0.029 17741 9891 1 17 . 1 1 87 87 LYS CB C 417 37.828 37.828 36.570 1.258 17741 9892 1 17 . 1 1 87 87 LYS H H 417 7.656 7.656 7.764 -0.108 17741 9893 1 17 . 1 1 88 88 THR N N 418 112.506 112.506 110.756 1.750 17741 9894 1 17 . 1 1 88 88 THR HA H 418 4.372 4.372 5.029 -0.657 17741 9895 1 17 . 1 1 88 88 THR C C 418 173.594 173.594 173.573 0.021 17741 9896 1 17 . 1 1 88 88 THR CA C 418 59.640 59.640 58.583 1.057 17741 9897 1 17 . 1 1 88 88 THR CB C 418 68.065 68.065 69.323 -1.258 17741 9898 1 17 . 1 1 88 88 THR H H 418 8.685 8.685 7.986 0.699 17741 9899 1 17 . 1 1 89 89 PRO HA H 419 3.748 3.748 3.975 -0.227 17741 9900 1 17 . 1 1 89 89 PRO C C 419 177.219 177.219 178.726 -1.507 17741 9901 1 17 . 1 1 89 89 PRO CA C 419 65.592 65.592 66.237 -0.645 17741 9902 1 17 . 1 1 89 89 PRO CB C 419 31.739 31.739 31.891 -0.152 17741 9903 1 17 . 1 1 90 90 ASP N N 420 114.631 114.631 115.519 -0.888 17741 9904 1 17 . 1 1 90 90 ASP HA H 420 4.265 4.265 4.429 -0.164 17741 9905 1 17 . 1 1 90 90 ASP C C 420 177.962 177.962 177.805 0.157 17741 9906 1 17 . 1 1 90 90 ASP CA C 420 56.371 56.371 56.957 -0.586 17741 9907 1 17 . 1 1 90 90 ASP CB C 420 40.662 40.662 40.713 -0.051 17741 9908 1 17 . 1 1 90 90 ASP H H 420 7.962 7.962 8.553 -0.591 17741 9909 1 17 . 1 1 91 91 GLU N N 421 119.501 119.501 118.631 0.870 17741 9910 1 17 . 1 1 91 91 GLU HA H 421 4.043 4.043 4.135 -0.092 17741 9911 1 17 . 1 1 91 91 GLU C C 421 178.599 178.599 178.754 -0.155 17741 9912 1 17 . 1 1 91 91 GLU CA C 421 58.113 58.113 58.490 -0.378 17741 9913 1 17 . 1 1 91 91 GLU CB C 421 30.721 30.721 29.904 0.817 17741 9914 1 17 . 1 1 91 91 GLU H H 421 7.661 7.661 7.865 -0.204 17741 9915 1 17 . 1 1 92 92 ILE N N 422 120.594 120.594 120.474 0.120 17741 9916 1 17 . 1 1 92 92 ILE HA H 422 3.641 3.641 3.764 -0.123 17741 9917 1 17 . 1 1 92 92 ILE C C 422 177.752 177.752 177.773 -0.021 17741 9918 1 17 . 1 1 92 92 ILE CA C 422 62.931 62.931 64.697 -1.766 17741 9919 1 17 . 1 1 92 92 ILE CB C 422 38.185 38.185 37.861 0.325 17741 9920 1 17 . 1 1 92 92 ILE H H 422 7.861 7.861 8.155 -0.294 17741 9921 1 17 . 1 1 93 93 MET N N 423 119.187 119.187 116.274 2.913 17741 9922 1 17 . 1 1 93 93 MET HA H 423 4.391 4.391 4.420 -0.029 17741 9923 1 17 . 1 1 93 93 MET C C 423 176.982 176.982 176.391 0.591 17741 9924 1 17 . 1 1 93 93 MET CA C 423 56.491 56.491 56.677 -0.186 17741 9925 1 17 . 1 1 93 93 MET CB C 423 32.584 32.584 32.150 0.434 17741 9926 1 17 . 1 1 93 93 MET H H 423 8.158 8.158 8.191 -0.033 17741 9927 1 17 . 1 1 94 94 SER N N 424 114.933 114.933 113.411 1.522 17741 9928 1 17 . 1 1 94 94 SER HA H 424 4.394 4.394 4.368 0.026 17741 9929 1 17 . 1 1 94 94 SER C C 424 175.238 175.238 175.493 -0.255 17741 9930 1 17 . 1 1 94 94 SER CA C 424 59.423 59.423 59.060 0.363 17741 9931 1 17 . 1 1 94 94 SER CB C 424 63.695 63.695 62.978 0.717 17741 9932 1 17 . 1 1 94 94 SER H H 424 7.854 7.854 7.646 0.208 17741 9933 1 17 . 1 1 95 95 GLY N N 425 110.045 110.045 110.218 -0.173 17741 9934 1 17 . 1 1 95 95 GLY C C 425 174.194 174.194 175.704 -1.510 17741 9935 1 17 . 1 1 95 95 GLY CA C 425 45.432 45.432 45.118 0.314 17741 9936 1 17 . 1 1 95 95 GLY H H 425 8.061 8.061 7.851 0.210 17741 9937 1 17 . 1 1 96 96 ARG N N 426 119.987 119.987 121.505 -1.518 17741 9938 1 17 . 1 1 96 96 ARG HA H 426 4.475 4.475 4.110 0.365 17741 9939 1 17 . 1 1 96 96 ARG C C 426 177.308 177.308 178.028 -0.720 17741 9940 1 17 . 1 1 96 96 ARG CA C 426 56.195 56.195 58.372 -2.177 17741 9941 1 17 . 1 1 96 96 ARG CB C 426 30.354 30.354 30.125 0.229 17741 9942 1 17 . 1 1 96 96 ARG H H 426 8.092 8.092 7.767 0.325 17741 9943 1 17 . 1 1 97 97 THR N N 427 114.398 114.398 113.781 0.617 17741 9944 1 17 . 1 1 97 97 THR HA H 427 4.298 4.298 4.509 -0.211 17741 9945 1 17 . 1 1 97 97 THR C C 427 174.913 174.913 174.798 0.115 17741 9946 1 17 . 1 1 97 97 THR CA C 427 62.673 62.673 62.073 0.600 17741 9947 1 17 . 1 1 97 97 THR CB C 427 69.473 69.473 68.592 0.881 17741 9948 1 17 . 1 1 97 97 THR H H 427 8.319 8.319 7.703 0.616 17741 9949 1 17 . 1 1 98 98 ASP N N 428 121.983 121.983 122.264 -0.281 17741 9950 1 17 . 1 1 98 98 ASP HA H 428 4.508 4.508 4.854 -0.346 17741 9951 1 17 . 1 1 98 98 ASP C C 428 176.956 176.956 177.247 -0.291 17741 9952 1 17 . 1 1 98 98 ASP CA C 428 55.433 55.433 56.672 -1.239 17741 9953 1 17 . 1 1 98 98 ASP CB C 428 40.746 40.746 41.074 -0.328 17741 9954 1 17 . 1 1 98 98 ASP H H 428 8.488 8.488 8.740 -0.252 17741 9955 1 17 . 1 1 99 99 ARG N N 429 119.821 119.821 117.649 2.172 17741 9956 1 17 . 1 1 99 99 ARG HA H 429 4.277 4.277 4.224 0.053 17741 9957 1 17 . 1 1 99 99 ARG C C 429 177.078 177.078 178.843 -1.765 17741 9958 1 17 . 1 1 99 99 ARG CA C 429 56.984 56.984 59.017 -2.033 17741 9959 1 17 . 1 1 99 99 ARG CB C 429 30.224 30.224 30.378 -0.154 17741 9960 1 17 . 1 1 99 99 ARG H H 429 8.088 8.088 7.803 0.285 17741 9961 1 17 . 1 1 100 100 LEU N N 430 120.887 120.887 120.901 -0.014 17741 9962 1 17 . 1 1 100 100 LEU HA H 430 4.176 4.176 4.211 -0.035 17741 9963 1 17 . 1 1 100 100 LEU C C 430 177.732 177.732 178.541 -0.809 17741 9964 1 17 . 1 1 100 100 LEU CA C 430 56.324 56.324 57.910 -1.586 17741 9965 1 17 . 1 1 100 100 LEU CB C 430 42.262 42.262 41.907 0.355 17741 9966 1 17 . 1 1 100 100 LEU H H 430 7.945 7.945 8.143 -0.198 17741 9967 1 17 . 1 1 101 101 GLU N N 431 119.799 119.799 117.205 2.594 17741 9968 1 17 . 1 1 101 101 GLU HA H 431 4.082 4.082 3.952 0.130 17741 9969 1 17 . 1 1 101 101 GLU C C 431 177.281 177.281 178.437 -1.156 17741 9970 1 17 . 1 1 101 101 GLU CA C 431 58.011 58.011 59.074 -1.063 17741 9971 1 17 . 1 1 101 101 GLU CB C 431 30.191 30.191 29.212 0.979 17741 9972 1 17 . 1 1 101 101 GLU H H 431 8.268 8.268 8.139 0.129 17741 9973 1 17 . 1 1 102 102 HIS N N 432 118.048 118.048 114.836 3.212 17741 9974 1 17 . 1 1 102 102 HIS HA H 432 4.584 4.584 4.599 -0.015 17741 9975 1 17 . 1 1 102 102 HIS C C 432 175.678 175.678 176.745 -1.067 17741 9976 1 17 . 1 1 102 102 HIS CA C 432 56.571 56.571 58.132 -1.561 17741 9977 1 17 . 1 1 102 102 HIS CB C 432 29.352 29.352 31.176 -1.824 17741 9978 1 17 . 1 1 102 102 HIS H H 432 8.166 8.166 7.982 0.184 17741 9979 1 17 . 1 1 103 103 LEU N N 433 122.228 122.228 116.642 5.586 17741 9980 1 17 . 1 1 103 103 LEU HA H 433 4.176 4.176 4.609 -0.433 17741 9981 1 17 . 1 1 103 103 LEU C C 433 177.904 177.904 179.036 -1.132 17741 9982 1 17 . 1 1 103 103 LEU CA C 433 56.237 56.237 57.133 -0.896 17741 9983 1 17 . 1 1 103 103 LEU CB C 433 42.305 42.305 42.339 -0.034 17741 9984 1 17 . 1 1 103 103 LEU H H 433 8.072 8.072 7.497 0.575 17741 9985 1 17 . 1 1 104 104 GLU N N 434 119.413 119.413 120.178 -0.765 17741 9986 1 17 . 1 1 104 104 GLU HA H 434 4.309 4.309 4.175 0.134 17741 9987 1 17 . 1 1 104 104 GLU C C 434 176.560 176.560 178.671 -2.111 17741 9988 1 17 . 1 1 104 104 GLU CA C 434 57.098 57.098 58.546 -1.448 17741 9989 1 17 . 1 1 104 104 GLU CB C 434 30.301 30.301 29.366 0.935 17741 9990 1 17 . 1 1 104 104 GLU H H 434 8.331 8.331 8.656 -0.325 17741 9991 1 17 . 1 1 105 105 SER N N 435 115.859 115.859 112.730 3.129 17741 9992 1 17 . 1 1 105 105 SER HA H 435 4.443 4.443 4.162 0.281 17741 9993 1 17 . 1 1 105 105 SER C C 435 173.630 173.630 174.723 -1.093 17741 9994 1 17 . 1 1 105 105 SER CA C 435 58.591 58.591 60.358 -1.767 17741 9995 1 17 . 1 1 105 105 SER CB C 435 64.066 64.066 63.056 1.010 17741 9996 1 17 . 1 1 105 105 SER H H 435 7.976 7.976 8.524 -0.548 17741 9997 1 18 . 1 1 5 5 ARG N N 335 123.531 123.531 120.069 3.462 17741 9998 1 18 . 1 1 5 5 ARG HA H 335 4.411 4.411 4.346 0.065 17741 9999 1 18 . 1 1 5 5 ARG C C 335 176.473 176.473 177.226 -0.753 17741 10000 1 18 . 1 1 5 5 ARG CA C 335 56.571 56.571 55.494 1.077 17741 10001 1 18 . 1 1 5 5 ARG CB C 335 31.352 31.352 30.618 0.734 17741 10002 1 18 . 1 1 5 5 ARG H H 335 9.347 9.347 8.406 0.941 17741 10003 1 18 . 1 1 6 6 LEU N N 336 121.545 121.545 123.419 -1.874 17741 10004 1 18 . 1 1 6 6 LEU HA H 336 4.293 4.293 4.230 0.063 17741 10005 1 18 . 1 1 6 6 LEU C C 336 178.837 178.837 178.345 0.492 17741 10006 1 18 . 1 1 6 6 LEU CA C 336 54.652 54.652 55.591 -0.939 17741 10007 1 18 . 1 1 6 6 LEU CB C 336 43.365 43.365 41.878 1.487 17741 10008 1 18 . 1 1 6 6 LEU H H 336 8.556 8.556 8.488 0.068 17741 10009 1 18 . 1 1 7 7 LEU HA H 337 3.441 3.441 2.982 0.459 17741 10010 1 18 . 1 1 7 7 LEU C C 337 177.908 177.908 178.347 -0.439 17741 10011 1 18 . 1 1 7 7 LEU CA C 337 58.771 58.771 58.366 0.405 17741 10012 1 18 . 1 1 7 7 LEU CB C 337 40.192 40.192 41.659 -1.467 17741 10013 1 18 . 1 1 8 8 TRP N N 338 114.624 114.624 117.303 -2.679 17741 10014 1 18 . 1 1 8 8 TRP HA H 338 3.785 3.785 4.326 -0.541 17741 10015 1 18 . 1 1 8 8 TRP C C 338 175.318 175.318 177.678 -2.360 17741 10016 1 18 . 1 1 8 8 TRP CA C 338 59.891 59.891 59.783 0.107 17741 10017 1 18 . 1 1 8 8 TRP CB C 338 28.359 28.359 28.011 0.348 17741 10018 1 18 . 1 1 8 8 TRP H H 338 7.515 7.515 7.686 -0.171 17741 10019 1 18 . 1 1 9 9 ASP HA H 339 3.813 3.813 4.079 -0.266 17741 10020 1 18 . 1 1 9 9 ASP C C 339 177.355 177.355 177.957 -0.602 17741 10021 1 18 . 1 1 9 9 ASP CA C 339 56.291 56.291 56.828 -0.537 17741 10022 1 18 . 1 1 9 9 ASP CB C 339 41.591 41.591 40.199 1.392 17741 10023 1 18 . 1 1 10 10 TYR N N 340 120.906 120.906 120.242 0.664 17741 10024 1 18 . 1 1 10 10 TYR HA H 340 3.897 3.897 4.109 -0.212 17741 10025 1 18 . 1 1 10 10 TYR C C 340 177.011 177.011 177.581 -0.570 17741 10026 1 18 . 1 1 10 10 TYR CA C 340 61.913 61.913 60.761 1.152 17741 10027 1 18 . 1 1 10 10 TYR CB C 340 39.482 39.482 38.716 0.766 17741 10028 1 18 . 1 1 10 10 TYR H H 340 8.005 8.005 7.875 0.130 17741 10029 1 18 . 1 1 11 11 VAL N N 341 115.016 115.016 118.592 -3.576 17741 10030 1 18 . 1 1 11 11 VAL HA H 341 2.992 2.992 3.217 -0.225 17741 10031 1 18 . 1 1 11 11 VAL C C 341 176.751 176.751 177.197 -0.446 17741 10032 1 18 . 1 1 11 11 VAL CA C 341 66.910 66.910 65.991 0.919 17741 10033 1 18 . 1 1 11 11 VAL CB C 341 30.968 30.968 30.096 0.872 17741 10034 1 18 . 1 1 11 11 VAL H H 341 8.287 8.287 7.915 0.372 17741 10035 1 18 . 1 1 12 12 TYR N N 342 119.030 119.030 120.364 -1.334 17741 10036 1 18 . 1 1 12 12 TYR HA H 342 3.641 3.641 3.897 -0.256 17741 10037 1 18 . 1 1 12 12 TYR C C 342 178.659 178.659 177.940 0.719 17741 10038 1 18 . 1 1 12 12 TYR CA C 342 63.010 63.010 62.539 0.471 17741 10039 1 18 . 1 1 12 12 TYR CB C 342 38.212 38.212 37.488 0.724 17741 10040 1 18 . 1 1 12 12 TYR H H 342 7.673 7.673 7.934 -0.261 17741 10041 1 18 . 1 1 13 13 GLN N N 343 119.113 119.113 118.714 0.399 17741 10042 1 18 . 1 1 13 13 GLN HA H 343 3.828 3.828 4.125 -0.297 17741 10043 1 18 . 1 1 13 13 GLN C C 343 179.955 179.955 177.231 2.724 17741 10044 1 18 . 1 1 13 13 GLN CA C 343 58.871 58.871 58.227 0.644 17741 10045 1 18 . 1 1 13 13 GLN CB C 343 27.514 27.514 27.987 -0.473 17741 10046 1 18 . 1 1 13 13 GLN H H 343 8.161 8.161 7.618 0.543 17741 10047 1 18 . 1 1 14 14 LEU N N 344 121.401 121.401 118.478 2.923 17741 10048 1 18 . 1 1 14 14 LEU HA H 344 3.611 3.611 3.864 -0.253 17741 10049 1 18 . 1 1 14 14 LEU C C 344 179.789 179.789 179.558 0.231 17741 10050 1 18 . 1 1 14 14 LEU CA C 344 58.043 58.043 56.715 1.327 17741 10051 1 18 . 1 1 14 14 LEU CB C 344 41.598 41.598 41.570 0.028 17741 10052 1 18 . 1 1 14 14 LEU H H 344 7.825 7.825 7.314 0.511 17741 10053 1 18 . 1 1 15 15 LEU N N 345 116.853 116.853 119.038 -2.185 17741 10054 1 18 . 1 1 15 15 LEU HA H 345 3.504 3.504 3.827 -0.323 17741 10055 1 18 . 1 1 15 15 LEU C C 345 178.149 178.149 178.584 -0.435 17741 10056 1 18 . 1 1 15 15 LEU CA C 345 56.473 56.473 56.432 0.041 17741 10057 1 18 . 1 1 15 15 LEU CB C 345 41.322 41.322 40.126 1.196 17741 10058 1 18 . 1 1 15 15 LEU H H 345 7.503 7.503 8.380 -0.877 17741 10059 1 18 . 1 1 16 16 SER N N 346 112.491 112.491 111.225 1.266 17741 10060 1 18 . 1 1 16 16 SER HA H 346 4.522 4.522 4.645 -0.123 17741 10061 1 18 . 1 1 16 16 SER C C 346 172.441 172.441 174.025 -1.584 17741 10062 1 18 . 1 1 16 16 SER CA C 346 58.859 58.859 58.523 0.336 17741 10063 1 18 . 1 1 16 16 SER CB C 346 63.987 63.987 63.808 0.179 17741 10064 1 18 . 1 1 16 16 SER H H 346 7.277 7.277 7.465 -0.188 17741 10065 1 18 . 1 1 17 17 ASP N N 347 122.161 122.161 121.131 1.030 17741 10066 1 18 . 1 1 17 17 ASP HA H 347 4.966 4.966 4.883 0.083 17741 10067 1 18 . 1 1 17 17 ASP C C 347 175.692 175.692 176.797 -1.105 17741 10068 1 18 . 1 1 17 17 ASP CA C 347 52.805 52.805 53.125 -0.320 17741 10069 1 18 . 1 1 17 17 ASP CB C 347 43.392 43.392 43.394 -0.002 17741 10070 1 18 . 1 1 17 17 ASP H H 347 7.345 7.345 7.478 -0.133 17741 10071 1 18 . 1 1 18 18 SER N N 348 120.164 120.164 121.685 -1.521 17741 10072 1 18 . 1 1 18 18 SER HA H 348 4.356 4.356 4.274 0.082 17741 10073 1 18 . 1 1 18 18 SER C C 348 176.200 176.200 176.270 -0.070 17741 10074 1 18 . 1 1 18 18 SER CA C 348 61.207 61.207 60.939 0.268 17741 10075 1 18 . 1 1 18 18 SER CB C 348 63.226 63.226 63.218 0.008 17741 10076 1 18 . 1 1 18 18 SER H H 348 8.686 8.686 8.889 -0.203 17741 10077 1 18 . 1 1 19 19 ARG N N 349 122.701 122.701 122.115 0.586 17741 10078 1 18 . 1 1 19 19 ARG HA H 349 4.105 4.105 3.945 0.160 17741 10079 1 18 . 1 1 19 19 ARG C C 349 178.120 178.120 176.978 1.142 17741 10080 1 18 . 1 1 19 19 ARG CA C 349 58.604 58.604 58.272 0.332 17741 10081 1 18 . 1 1 19 19 ARG CB C 349 29.854 29.854 29.473 0.381 17741 10082 1 18 . 1 1 19 19 ARG H H 349 8.597 8.597 8.350 0.247 17741 10083 1 18 . 1 1 20 20 TYR N N 350 116.257 116.257 116.630 -0.373 17741 10084 1 18 . 1 1 20 20 TYR HA H 350 4.884 4.884 4.625 0.259 17741 10085 1 18 . 1 1 20 20 TYR C C 350 176.977 176.977 175.578 1.399 17741 10086 1 18 . 1 1 20 20 TYR CA C 350 58.758 58.758 56.895 1.863 17741 10087 1 18 . 1 1 20 20 TYR CB C 350 37.602 37.602 38.800 -1.198 17741 10088 1 18 . 1 1 20 20 TYR H H 350 8.285 8.285 7.481 0.804 17741 10089 1 18 . 1 1 21 21 GLU N N 351 120.807 120.807 120.090 0.717 17741 10090 1 18 . 1 1 21 21 GLU HA H 351 4.454 4.454 4.367 0.087 17741 10091 1 18 . 1 1 21 21 GLU C C 351 176.277 176.277 177.024 -0.747 17741 10092 1 18 . 1 1 21 21 GLU CA C 351 59.135 59.135 58.201 0.934 17741 10093 1 18 . 1 1 21 21 GLU CB C 351 29.674 29.674 29.012 0.661 17741 10094 1 18 . 1 1 21 21 GLU H H 351 7.527 7.527 7.654 -0.127 17741 10095 1 18 . 1 1 22 22 ASN N N 352 114.501 114.501 115.835 -1.334 17741 10096 1 18 . 1 1 22 22 ASN HA H 352 4.471 4.471 4.542 -0.071 17741 10097 1 18 . 1 1 22 22 ASN C C 352 174.426 174.426 175.853 -1.427 17741 10098 1 18 . 1 1 22 22 ASN CA C 352 54.002 54.002 54.687 -0.685 17741 10099 1 18 . 1 1 22 22 ASN CB C 352 36.943 36.943 38.579 -1.636 17741 10100 1 18 . 1 1 22 22 ASN H H 352 8.647 8.647 7.957 0.690 17741 10101 1 18 . 1 1 23 23 PHE N N 353 115.528 115.528 115.756 -0.228 17741 10102 1 18 . 1 1 23 23 PHE HA H 353 4.751 4.751 4.771 -0.020 17741 10103 1 18 . 1 1 23 23 PHE C C 353 176.374 176.374 175.848 0.526 17741 10104 1 18 . 1 1 23 23 PHE CA C 353 59.617 59.617 58.091 1.526 17741 10105 1 18 . 1 1 23 23 PHE CB C 353 41.431 41.431 40.966 0.465 17741 10106 1 18 . 1 1 23 23 PHE H H 353 8.578 8.578 7.721 0.857 17741 10107 1 18 . 1 1 24 24 ILE N N 354 120.520 120.520 118.483 2.037 17741 10108 1 18 . 1 1 24 24 ILE HA H 354 5.063 5.063 4.976 0.087 17741 10109 1 18 . 1 1 24 24 ILE C C 354 170.331 170.331 172.956 -2.625 17741 10110 1 18 . 1 1 24 24 ILE CA C 354 59.835 59.835 60.753 -0.918 17741 10111 1 18 . 1 1 24 24 ILE CB C 354 40.605 40.605 41.874 -1.269 17741 10112 1 18 . 1 1 24 24 ILE H H 354 8.436 8.436 8.592 -0.156 17741 10113 1 18 . 1 1 25 25 ARG N N 355 121.401 121.401 121.960 -0.559 17741 10114 1 18 . 1 1 25 25 ARG HA H 355 4.916 4.916 4.796 0.120 17741 10115 1 18 . 1 1 25 25 ARG C C 355 175.099 175.099 174.078 1.021 17741 10116 1 18 . 1 1 25 25 ARG CA C 355 54.461 54.461 54.982 -0.521 17741 10117 1 18 . 1 1 25 25 ARG CB C 355 33.662 33.662 33.721 -0.059 17741 10118 1 18 . 1 1 25 25 ARG H H 355 8.668 8.668 9.013 -0.345 17741 10119 1 18 . 1 1 26 26 TRP N N 356 122.022 122.022 124.152 -2.130 17741 10120 1 18 . 1 1 26 26 TRP HA H 356 4.894 4.894 4.875 0.019 17741 10121 1 18 . 1 1 26 26 TRP C C 356 176.606 176.606 176.957 -0.351 17741 10122 1 18 . 1 1 26 26 TRP CA C 356 57.835 57.835 57.613 0.222 17741 10123 1 18 . 1 1 26 26 TRP CB C 356 30.564 30.564 29.498 1.066 17741 10124 1 18 . 1 1 26 26 TRP H H 356 9.149 9.149 8.992 0.157 17741 10125 1 18 . 1 1 27 27 GLU N N 357 125.415 125.415 125.641 -0.226 17741 10126 1 18 . 1 1 27 27 GLU HA H 357 4.686 4.686 4.381 0.305 17741 10127 1 18 . 1 1 27 27 GLU C C 357 176.709 176.709 176.266 0.443 17741 10128 1 18 . 1 1 27 27 GLU CA C 357 56.939 56.939 58.322 -1.383 17741 10129 1 18 . 1 1 27 27 GLU CB C 357 31.545 31.545 30.736 0.809 17741 10130 1 18 . 1 1 27 27 GLU H H 357 9.524 9.524 8.695 0.829 17741 10131 1 18 . 1 1 28 28 ASP N N 358 116.214 116.214 118.732 -2.518 17741 10132 1 18 . 1 1 28 28 ASP HA H 358 4.759 4.759 4.939 -0.180 17741 10133 1 18 . 1 1 28 28 ASP C C 358 176.124 176.124 175.684 0.440 17741 10134 1 18 . 1 1 28 28 ASP CA C 358 53.481 53.481 53.124 0.356 17741 10135 1 18 . 1 1 28 28 ASP CB C 358 41.921 41.921 42.587 -0.666 17741 10136 1 18 . 1 1 28 28 ASP H H 358 7.828 7.828 8.442 -0.614 17741 10137 1 18 . 1 1 29 29 LYS N N 359 127.750 127.750 125.424 2.326 17741 10138 1 18 . 1 1 29 29 LYS HA H 359 3.162 3.162 2.938 0.224 17741 10139 1 18 . 1 1 29 29 LYS C C 359 178.683 178.683 178.126 0.557 17741 10140 1 18 . 1 1 29 29 LYS CA C 359 60.173 60.173 59.013 1.160 17741 10141 1 18 . 1 1 29 29 LYS CB C 359 32.728 32.728 32.125 0.603 17741 10142 1 18 . 1 1 29 29 LYS H H 359 9.221 9.221 8.595 0.626 17741 10143 1 18 . 1 1 30 30 GLU N N 360 119.608 119.608 116.340 3.268 17741 10144 1 18 . 1 1 30 30 GLU HA H 360 3.923 3.923 4.062 -0.139 17741 10145 1 18 . 1 1 30 30 GLU C C 360 178.598 178.598 177.086 1.512 17741 10146 1 18 . 1 1 30 30 GLU CA C 360 59.512 59.512 57.953 1.559 17741 10147 1 18 . 1 1 30 30 GLU CB C 360 29.188 29.188 29.408 -0.220 17741 10148 1 18 . 1 1 30 30 GLU H H 360 8.343 8.343 8.509 -0.166 17741 10149 1 18 . 1 1 31 31 SER N N 361 113.313 113.313 113.047 0.266 17741 10150 1 18 . 1 1 31 31 SER HA H 361 4.485 4.485 4.570 -0.085 17741 10151 1 18 . 1 1 31 31 SER C C 361 172.284 172.284 173.410 -1.126 17741 10152 1 18 . 1 1 31 31 SER CA C 361 58.745 58.745 58.419 0.326 17741 10153 1 18 . 1 1 31 31 SER CB C 361 63.728 63.728 63.667 0.061 17741 10154 1 18 . 1 1 31 31 SER H H 361 7.466 7.466 7.623 -0.157 17741 10155 1 18 . 1 1 32 32 LYS N N 362 115.197 115.197 118.109 -2.912 17741 10156 1 18 . 1 1 32 32 LYS HA H 362 3.894 3.894 3.760 0.134 17741 10157 1 18 . 1 1 32 32 LYS C C 362 175.489 175.489 175.135 0.354 17741 10158 1 18 . 1 1 32 32 LYS CA C 362 57.641 57.641 57.385 0.256 17741 10159 1 18 . 1 1 32 32 LYS CB C 362 29.811 29.811 29.960 -0.149 17741 10160 1 18 . 1 1 32 32 LYS H H 362 7.741 7.741 7.507 0.234 17741 10161 1 18 . 1 1 33 33 ILE N N 363 118.359 118.359 119.059 -0.700 17741 10162 1 18 . 1 1 33 33 ILE HA H 363 5.356 5.356 5.109 0.247 17741 10163 1 18 . 1 1 33 33 ILE C C 363 177.019 177.019 175.557 1.462 17741 10164 1 18 . 1 1 33 33 ILE CA C 363 60.455 60.455 61.016 -0.561 17741 10165 1 18 . 1 1 33 33 ILE CB C 363 40.081 40.081 40.148 -0.067 17741 10166 1 18 . 1 1 33 33 ILE H H 363 8.268 8.268 8.393 -0.125 17741 10167 1 18 . 1 1 34 34 PHE N N 364 128.287 128.287 125.450 2.837 17741 10168 1 18 . 1 1 34 34 PHE HA H 364 5.576 5.576 5.727 -0.151 17741 10169 1 18 . 1 1 34 34 PHE C C 364 170.447 170.447 172.936 -2.489 17741 10170 1 18 . 1 1 34 34 PHE CA C 364 55.128 55.128 55.642 -0.515 17741 10171 1 18 . 1 1 34 34 PHE CB C 364 44.010 44.010 42.949 1.061 17741 10172 1 18 . 1 1 34 34 PHE H H 364 9.962 9.962 9.462 0.500 17741 10173 1 18 . 1 1 35 35 ARG N N 365 120.900 120.900 122.545 -1.645 17741 10174 1 18 . 1 1 35 35 ARG HA H 365 5.486 5.486 5.189 0.297 17741 10175 1 18 . 1 1 35 35 ARG C C 365 176.462 176.462 175.421 1.041 17741 10176 1 18 . 1 1 35 35 ARG CA C 365 53.609 53.609 53.751 -0.142 17741 10177 1 18 . 1 1 35 35 ARG CB C 365 36.518 36.518 33.100 3.418 17741 10178 1 18 . 1 1 35 35 ARG H H 365 9.427 9.427 9.307 0.120 17741 10179 1 18 . 1 1 36 36 ILE N N 366 125.534 125.534 127.623 -2.089 17741 10180 1 18 . 1 1 36 36 ILE HA H 366 4.209 4.209 4.193 0.016 17741 10181 1 18 . 1 1 36 36 ILE C C 366 173.899 173.899 175.623 -1.724 17741 10182 1 18 . 1 1 36 36 ILE CA C 366 63.033 63.033 62.572 0.461 17741 10183 1 18 . 1 1 36 36 ILE CB C 366 37.889 37.889 37.847 0.042 17741 10184 1 18 . 1 1 36 36 ILE H H 366 8.643 8.643 9.006 -0.363 17741 10185 1 18 . 1 1 37 37 VAL N N 367 129.194 129.194 127.884 1.310 17741 10186 1 18 . 1 1 37 37 VAL HA H 367 3.679 3.679 3.940 -0.261 17741 10187 1 18 . 1 1 37 37 VAL C C 367 175.919 175.919 176.315 -0.396 17741 10188 1 18 . 1 1 37 37 VAL CA C 367 64.068 64.068 64.275 -0.207 17741 10189 1 18 . 1 1 37 37 VAL CB C 367 32.884 32.884 32.421 0.463 17741 10190 1 18 . 1 1 37 37 VAL H H 367 7.841 7.841 8.439 -0.598 17741 10191 1 18 . 1 1 38 38 ASP N N 368 114.969 114.969 117.504 -2.535 17741 10192 1 18 . 1 1 38 38 ASP HA H 368 5.222 5.222 5.085 0.137 17741 10193 1 18 . 1 1 38 38 ASP C C 368 173.227 173.227 174.602 -1.375 17741 10194 1 18 . 1 1 38 38 ASP CA C 368 50.238 50.238 51.134 -0.896 17741 10195 1 18 . 1 1 38 38 ASP CB C 368 42.181 42.181 42.685 -0.504 17741 10196 1 18 . 1 1 38 38 ASP H H 368 7.316 7.316 8.069 -0.753 17741 10197 1 18 . 1 1 39 39 PRO HA H 369 3.809 3.809 4.112 -0.303 17741 10198 1 18 . 1 1 39 39 PRO C C 369 177.958 177.958 178.518 -0.560 17741 10199 1 18 . 1 1 39 39 PRO CA C 369 65.612 65.612 65.053 0.559 17741 10200 1 18 . 1 1 39 39 PRO CB C 369 31.068 31.068 31.807 -0.739 17741 10201 1 18 . 1 1 40 40 ASN N N 370 115.480 115.480 117.704 -2.224 17741 10202 1 18 . 1 1 40 40 ASN HA H 370 4.604 4.604 4.494 0.110 17741 10203 1 18 . 1 1 40 40 ASN C C 370 178.566 178.566 177.800 0.766 17741 10204 1 18 . 1 1 40 40 ASN CA C 370 56.471 56.471 56.424 0.047 17741 10205 1 18 . 1 1 40 40 ASN CB C 370 38.068 38.068 38.201 -0.133 17741 10206 1 18 . 1 1 40 40 ASN H H 370 8.094 8.094 8.012 0.082 17741 10207 1 18 . 1 1 41 41 GLY N N 371 111.371 111.371 107.862 3.509 17741 10208 1 18 . 1 1 41 41 GLY C C 371 176.018 176.018 175.693 0.325 17741 10209 1 18 . 1 1 41 41 GLY CA C 371 47.862 47.862 46.245 1.617 17741 10210 1 18 . 1 1 41 41 GLY H H 371 8.632 8.632 9.171 -0.539 17741 10211 1 18 . 1 1 42 42 LEU N N 372 122.901 122.901 122.300 0.601 17741 10212 1 18 . 1 1 42 42 LEU HA H 372 4.035 4.035 4.199 -0.164 17741 10213 1 18 . 1 1 42 42 LEU C C 372 177.704 177.704 178.615 -0.911 17741 10214 1 18 . 1 1 42 42 LEU CA C 372 57.913 57.913 56.960 0.953 17741 10215 1 18 . 1 1 42 42 LEU CB C 372 42.136 42.136 41.316 0.820 17741 10216 1 18 . 1 1 42 42 LEU H H 372 8.876 8.876 7.907 0.969 17741 10217 1 18 . 1 1 43 43 ALA N N 373 120.103 120.103 121.975 -1.872 17741 10218 1 18 . 1 1 43 43 ALA HA H 373 4.462 4.462 4.166 0.296 17741 10219 1 18 . 1 1 43 43 ALA C C 373 179.091 179.091 179.078 0.013 17741 10220 1 18 . 1 1 43 43 ALA CA C 373 55.441 55.441 55.395 0.047 17741 10221 1 18 . 1 1 43 43 ALA CB C 373 18.098 18.098 18.527 -0.429 17741 10222 1 18 . 1 1 43 43 ALA H H 373 8.062 8.062 8.633 -0.571 17741 10223 1 18 . 1 1 44 44 ARG N N 374 118.071 118.071 118.674 -0.603 17741 10224 1 18 . 1 1 44 44 ARG HA H 374 4.117 4.117 4.085 0.032 17741 10225 1 18 . 1 1 44 44 ARG C C 374 179.414 179.414 178.319 1.095 17741 10226 1 18 . 1 1 44 44 ARG CA C 374 59.297 59.297 59.117 0.180 17741 10227 1 18 . 1 1 44 44 ARG CB C 374 30.069 30.069 29.824 0.245 17741 10228 1 18 . 1 1 44 44 ARG H H 374 7.725 7.725 7.604 0.121 17741 10229 1 18 . 1 1 45 45 LEU N N 375 121.601 121.601 120.914 0.687 17741 10230 1 18 . 1 1 45 45 LEU HA H 375 4.015 4.015 4.185 -0.170 17741 10231 1 18 . 1 1 45 45 LEU C C 375 180.087 180.087 178.884 1.203 17741 10232 1 18 . 1 1 45 45 LEU CA C 375 58.553 58.553 57.628 0.925 17741 10233 1 18 . 1 1 45 45 LEU CB C 375 41.495 41.495 41.390 0.105 17741 10234 1 18 . 1 1 45 45 LEU H H 375 7.877 7.877 7.277 0.600 17741 10235 1 18 . 1 1 46 46 TRP N N 376 121.543 121.543 121.359 0.184 17741 10236 1 18 . 1 1 46 46 TRP HA H 376 4.333 4.333 3.894 0.439 17741 10237 1 18 . 1 1 46 46 TRP C C 376 177.572 177.572 178.409 -0.837 17741 10238 1 18 . 1 1 46 46 TRP CA C 376 59.091 59.091 59.386 -0.295 17741 10239 1 18 . 1 1 46 46 TRP CB C 376 30.305 30.305 29.680 0.625 17741 10240 1 18 . 1 1 46 46 TRP H H 376 8.615 8.615 8.354 0.261 17741 10241 1 18 . 1 1 47 47 GLY N N 377 105.532 105.532 105.442 0.090 17741 10242 1 18 . 1 1 47 47 GLY C C 377 176.057 176.057 176.069 -0.012 17741 10243 1 18 . 1 1 47 47 GLY CA C 377 48.035 48.035 46.880 1.155 17741 10244 1 18 . 1 1 47 47 GLY H H 377 8.877 8.877 8.955 -0.078 17741 10245 1 18 . 1 1 48 48 ASN N N 378 119.996 119.996 119.451 0.545 17741 10246 1 18 . 1 1 48 48 ASN HA H 378 4.403 4.403 4.509 -0.106 17741 10247 1 18 . 1 1 48 48 ASN C C 378 178.112 178.112 176.687 1.425 17741 10248 1 18 . 1 1 48 48 ASN CA C 378 56.229 56.229 55.386 0.843 17741 10249 1 18 . 1 1 48 48 ASN CB C 378 38.272 38.272 38.414 -0.142 17741 10250 1 18 . 1 1 48 48 ASN H H 378 8.176 8.176 8.021 0.155 17741 10251 1 18 . 1 1 49 49 HIS N N 379 121.459 121.459 118.897 2.562 17741 10252 1 18 . 1 1 49 49 HIS HA H 379 4.129 4.129 4.367 -0.238 17741 10253 1 18 . 1 1 49 49 HIS C C 379 175.858 175.858 176.524 -0.666 17741 10254 1 18 . 1 1 49 49 HIS CA C 379 59.234 59.234 58.586 0.648 17741 10255 1 18 . 1 1 49 49 HIS CB C 379 29.473 29.473 30.047 -0.575 17741 10256 1 18 . 1 1 49 49 HIS H H 379 8.138 8.138 8.167 -0.029 17741 10257 1 18 . 1 1 50 50 LYS N N 380 115.130 115.130 115.867 -0.737 17741 10258 1 18 . 1 1 50 50 LYS HA H 380 3.797 3.797 3.936 -0.139 17741 10259 1 18 . 1 1 50 50 LYS C C 380 175.468 175.468 175.713 -0.245 17741 10260 1 18 . 1 1 50 50 LYS CA C 380 54.085 54.085 55.943 -1.858 17741 10261 1 18 . 1 1 50 50 LYS CB C 380 30.887 30.887 32.542 -1.655 17741 10262 1 18 . 1 1 50 50 LYS H H 380 7.552 7.552 7.908 -0.356 17741 10263 1 18 . 1 1 51 51 ASN N N 381 116.632 116.632 114.478 2.154 17741 10264 1 18 . 1 1 51 51 ASN HA H 381 4.264 4.264 4.252 0.012 17741 10265 1 18 . 1 1 51 51 ASN C C 381 174.332 174.332 173.762 0.570 17741 10266 1 18 . 1 1 51 51 ASN CA C 381 54.189 54.189 54.237 -0.048 17741 10267 1 18 . 1 1 51 51 ASN CB C 381 37.343 37.343 37.023 0.320 17741 10268 1 18 . 1 1 51 51 ASN H H 381 7.715 7.715 7.869 -0.154 17741 10269 1 18 . 1 1 52 52 ARG N N 382 117.701 117.701 118.933 -1.232 17741 10270 1 18 . 1 1 52 52 ARG HA H 382 4.583 4.583 4.574 0.009 17741 10271 1 18 . 1 1 52 52 ARG C C 382 176.172 176.172 176.572 -0.400 17741 10272 1 18 . 1 1 52 52 ARG CA C 382 54.167 54.167 54.003 0.164 17741 10273 1 18 . 1 1 52 52 ARG CB C 382 31.882 31.882 30.817 1.065 17741 10274 1 18 . 1 1 52 52 ARG H H 382 8.465 8.465 7.877 0.588 17741 10275 1 18 . 1 1 53 53 THR N N 383 114.338 114.338 118.290 -3.952 17741 10276 1 18 . 1 1 53 53 THR HA H 383 4.208 4.208 4.135 0.073 17741 10277 1 18 . 1 1 53 53 THR C C 383 174.496 174.496 175.256 -0.760 17741 10278 1 18 . 1 1 53 53 THR CA C 383 62.345 62.345 64.833 -2.488 17741 10279 1 18 . 1 1 53 53 THR CB C 383 69.699 69.699 68.942 0.757 17741 10280 1 18 . 1 1 53 53 THR H H 383 8.274 8.274 8.603 -0.329 17741 10281 1 18 . 1 1 54 54 ASN N N 384 119.031 119.031 120.325 -1.294 17741 10282 1 18 . 1 1 54 54 ASN HA H 384 4.607 4.607 4.751 -0.144 17741 10283 1 18 . 1 1 54 54 ASN C C 384 174.829 174.829 173.609 1.220 17741 10284 1 18 . 1 1 54 54 ASN CA C 384 53.155 53.155 52.429 0.726 17741 10285 1 18 . 1 1 54 54 ASN CB C 384 37.871 37.871 38.108 -0.237 17741 10286 1 18 . 1 1 54 54 ASN H H 384 8.457 8.457 8.347 0.110 17741 10287 1 18 . 1 1 55 55 MET N N 385 119.922 119.922 120.722 -0.800 17741 10288 1 18 . 1 1 55 55 MET HA H 385 4.558 4.558 4.682 -0.124 17741 10289 1 18 . 1 1 55 55 MET C C 385 174.921 174.921 174.718 0.203 17741 10290 1 18 . 1 1 55 55 MET CA C 385 55.271 55.271 54.564 0.707 17741 10291 1 18 . 1 1 55 55 MET CB C 385 30.991 30.991 34.000 -3.009 17741 10292 1 18 . 1 1 55 55 MET H H 385 8.073 8.073 7.561 0.512 17741 10293 1 18 . 1 1 56 56 THR N N 386 113.771 113.771 113.618 0.153 17741 10294 1 18 . 1 1 56 56 THR HA H 386 4.693 4.693 4.613 0.080 17741 10295 1 18 . 1 1 56 56 THR C C 386 175.459 175.459 174.089 1.370 17741 10296 1 18 . 1 1 56 56 THR CA C 386 59.043 59.043 60.373 -1.330 17741 10297 1 18 . 1 1 56 56 THR CB C 386 72.393 72.393 71.437 0.956 17741 10298 1 18 . 1 1 56 56 THR H H 386 7.076 7.076 8.332 -1.256 17741 10299 1 18 . 1 1 57 57 TYR N N 387 123.521 123.521 122.026 1.495 17741 10300 1 18 . 1 1 57 57 TYR HA H 387 4.127 4.127 4.278 -0.151 17741 10301 1 18 . 1 1 57 57 TYR C C 387 177.432 177.432 176.971 0.461 17741 10302 1 18 . 1 1 57 57 TYR CA C 387 62.527 62.527 60.969 1.558 17741 10303 1 18 . 1 1 57 57 TYR CB C 387 37.289 37.289 38.941 -1.652 17741 10304 1 18 . 1 1 57 57 TYR H H 387 9.726 9.726 8.907 0.819 17741 10305 1 18 . 1 1 58 58 GLU N N 388 121.083 121.083 120.477 0.606 17741 10306 1 18 . 1 1 58 58 GLU HA H 388 3.825 3.825 3.818 0.007 17741 10307 1 18 . 1 1 58 58 GLU C C 388 179.225 179.225 178.678 0.547 17741 10308 1 18 . 1 1 58 58 GLU CA C 388 60.476 60.476 59.636 0.840 17741 10309 1 18 . 1 1 58 58 GLU CB C 388 29.087 29.087 29.250 -0.163 17741 10310 1 18 . 1 1 58 58 GLU H H 388 8.843 8.843 8.014 0.829 17741 10311 1 18 . 1 1 59 59 LYS N N 389 119.209 119.209 118.347 0.862 17741 10312 1 18 . 1 1 59 59 LYS HA H 389 3.971 3.971 4.035 -0.064 17741 10313 1 18 . 1 1 59 59 LYS C C 389 179.944 179.944 179.200 0.744 17741 10314 1 18 . 1 1 59 59 LYS CA C 389 59.897 59.897 58.718 1.179 17741 10315 1 18 . 1 1 59 59 LYS CB C 389 33.359 33.359 32.039 1.320 17741 10316 1 18 . 1 1 59 59 LYS H H 389 7.605 7.605 7.525 0.080 17741 10317 1 18 . 1 1 60 60 MET N N 390 122.401 122.401 119.307 3.094 17741 10318 1 18 . 1 1 60 60 MET HA H 390 3.944 3.944 4.009 -0.065 17741 10319 1 18 . 1 1 60 60 MET C C 390 177.716 177.716 177.163 0.553 17741 10320 1 18 . 1 1 60 60 MET CA C 390 59.547 59.547 58.460 1.087 17741 10321 1 18 . 1 1 60 60 MET CB C 390 33.315 33.315 32.651 0.664 17741 10322 1 18 . 1 1 60 60 MET H H 390 8.229 8.229 7.373 0.856 17741 10323 1 18 . 1 1 61 61 SER N N 391 114.652 114.652 115.298 -0.646 17741 10324 1 18 . 1 1 61 61 SER HA H 391 3.771 3.771 3.827 -0.056 17741 10325 1 18 . 1 1 61 61 SER C C 391 176.449 176.449 176.541 -0.092 17741 10326 1 18 . 1 1 61 61 SER CA C 391 61.554 61.554 61.014 0.540 17741 10327 1 18 . 1 1 61 61 SER CB C 391 62.278 62.278 62.635 -0.357 17741 10328 1 18 . 1 1 61 61 SER H H 391 8.829 8.829 8.068 0.761 17741 10329 1 18 . 1 1 62 62 ARG N N 392 122.213 122.213 121.787 0.426 17741 10330 1 18 . 1 1 62 62 ARG HA H 392 3.945 3.945 3.861 0.084 17741 10331 1 18 . 1 1 62 62 ARG C C 392 178.600 178.600 178.296 0.304 17741 10332 1 18 . 1 1 62 62 ARG CA C 392 59.571 59.571 58.777 0.794 17741 10333 1 18 . 1 1 62 62 ARG CB C 392 29.914 29.914 29.210 0.704 17741 10334 1 18 . 1 1 62 62 ARG H H 392 7.413 7.413 8.488 -1.075 17741 10335 1 18 . 1 1 63 63 ALA N N 393 122.327 122.327 121.410 0.917 17741 10336 1 18 . 1 1 63 63 ALA HA H 393 4.157 4.157 3.809 0.348 17741 10337 1 18 . 1 1 63 63 ALA C C 393 180.147 180.147 179.339 0.808 17741 10338 1 18 . 1 1 63 63 ALA CA C 393 54.749 54.749 54.420 0.328 17741 10339 1 18 . 1 1 63 63 ALA CB C 393 18.529 18.529 17.756 0.773 17741 10340 1 18 . 1 1 63 63 ALA H H 393 7.256 7.256 7.315 -0.059 17741 10341 1 18 . 1 1 64 64 LEU N N 394 117.582 117.582 118.082 -0.500 17741 10342 1 18 . 1 1 64 64 LEU HA H 394 3.769 3.769 3.449 0.320 17741 10343 1 18 . 1 1 64 64 LEU C C 394 178.139 178.139 178.701 -0.562 17741 10344 1 18 . 1 1 64 64 LEU CA C 394 58.012 58.012 57.230 0.782 17741 10345 1 18 . 1 1 64 64 LEU CB C 394 41.396 41.396 41.199 0.197 17741 10346 1 18 . 1 1 64 64 LEU H H 394 7.768 7.768 7.448 0.320 17741 10347 1 18 . 1 1 65 65 ARG N N 395 116.204 116.204 116.901 -0.697 17741 10348 1 18 . 1 1 65 65 ARG HA H 395 3.445 3.445 3.178 0.267 17741 10349 1 18 . 1 1 65 65 ARG C C 395 179.423 179.423 178.809 0.614 17741 10350 1 18 . 1 1 65 65 ARG CA C 395 58.829 58.829 58.564 0.265 17741 10351 1 18 . 1 1 65 65 ARG CB C 395 29.776 29.776 29.493 0.283 17741 10352 1 18 . 1 1 65 65 ARG H H 395 7.595 7.595 8.141 -0.546 17741 10353 1 18 . 1 1 66 66 HIS N N 396 118.573 118.573 119.096 -0.523 17741 10354 1 18 . 1 1 66 66 HIS HA H 396 4.401 4.401 4.345 0.056 17741 10355 1 18 . 1 1 66 66 HIS C C 396 177.218 177.218 177.742 -0.524 17741 10356 1 18 . 1 1 66 66 HIS CA C 396 58.821 58.821 58.802 0.019 17741 10357 1 18 . 1 1 66 66 HIS CB C 396 29.753 29.753 29.869 -0.116 17741 10358 1 18 . 1 1 66 66 HIS H H 396 7.362 7.362 7.450 -0.088 17741 10359 1 18 . 1 1 67 67 TYR N N 397 115.773 115.773 118.717 -2.944 17741 10360 1 18 . 1 1 67 67 TYR HA H 397 4.259 4.259 4.018 0.241 17741 10361 1 18 . 1 1 67 67 TYR C C 397 178.802 178.802 177.942 0.860 17741 10362 1 18 . 1 1 67 67 TYR CA C 397 60.329 60.329 59.280 1.049 17741 10363 1 18 . 1 1 67 67 TYR CB C 397 37.379 37.379 36.735 0.644 17741 10364 1 18 . 1 1 67 67 TYR H H 397 7.568 7.568 7.920 -0.352 17741 10365 1 18 . 1 1 68 68 TYR N N 398 121.825 121.825 118.148 3.677 17741 10366 1 18 . 1 1 68 68 TYR HA H 398 5.413 5.413 4.748 0.665 17741 10367 1 18 . 1 1 68 68 TYR C C 398 181.169 181.169 178.787 2.382 17741 10368 1 18 . 1 1 68 68 TYR CA C 398 57.775 57.775 59.591 -1.816 17741 10369 1 18 . 1 1 68 68 TYR CB C 398 36.972 36.972 37.200 -0.228 17741 10370 1 18 . 1 1 68 68 TYR H H 398 8.116 8.116 7.288 0.828 17741 10371 1 18 . 1 1 69 69 LYS N N 399 120.934 120.934 118.811 2.123 17741 10372 1 18 . 1 1 69 69 LYS HA H 399 4.127 4.127 4.156 -0.029 17741 10373 1 18 . 1 1 69 69 LYS C C 399 177.928 177.928 178.202 -0.274 17741 10374 1 18 . 1 1 69 69 LYS CA C 399 58.912 58.912 58.738 0.174 17741 10375 1 18 . 1 1 69 69 LYS CB C 399 32.188 32.188 32.021 0.167 17741 10376 1 18 . 1 1 69 69 LYS H H 399 7.771 7.771 8.245 -0.474 17741 10377 1 18 . 1 1 70 70 LEU N N 400 116.022 116.022 117.699 -1.677 17741 10378 1 18 . 1 1 70 70 LEU HA H 400 4.291 4.291 4.287 0.004 17741 10379 1 18 . 1 1 70 70 LEU C C 400 175.827 175.827 176.173 -0.346 17741 10380 1 18 . 1 1 70 70 LEU CA C 400 54.675 54.675 54.471 0.203 17741 10381 1 18 . 1 1 70 70 LEU CB C 400 43.081 43.081 40.848 2.233 17741 10382 1 18 . 1 1 70 70 LEU H H 400 7.144 7.144 7.504 -0.360 17741 10383 1 18 . 1 1 71 71 ASN N N 401 115.201 115.201 114.505 0.696 17741 10384 1 18 . 1 1 71 71 ASN HA H 401 4.352 4.352 4.382 -0.030 17741 10385 1 18 . 1 1 71 71 ASN C C 401 173.517 173.517 174.497 -0.980 17741 10386 1 18 . 1 1 71 71 ASN CA C 401 54.602 54.602 55.021 -0.419 17741 10387 1 18 . 1 1 71 71 ASN CB C 401 37.381 37.381 37.055 0.326 17741 10388 1 18 . 1 1 71 71 ASN H H 401 8.047 8.047 7.635 0.412 17741 10389 1 18 . 1 1 72 72 ILE N N 402 113.907 113.907 116.005 -2.098 17741 10390 1 18 . 1 1 72 72 ILE HA H 402 4.059 4.059 4.035 0.024 17741 10391 1 18 . 1 1 72 72 ILE C C 402 176.279 176.279 175.636 0.643 17741 10392 1 18 . 1 1 72 72 ILE CA C 402 63.797 63.797 62.690 1.107 17741 10393 1 18 . 1 1 72 72 ILE CB C 402 40.395 40.395 39.828 0.567 17741 10394 1 18 . 1 1 72 72 ILE H H 402 7.986 7.986 8.441 -0.455 17741 10395 1 18 . 1 1 73 73 ILE N N 403 116.766 116.766 115.527 1.239 17741 10396 1 18 . 1 1 73 73 ILE HA H 403 5.042 5.042 4.631 0.411 17741 10397 1 18 . 1 1 73 73 ILE C C 403 173.945 173.945 174.354 -0.409 17741 10398 1 18 . 1 1 73 73 ILE CA C 403 59.247 59.247 59.304 -0.057 17741 10399 1 18 . 1 1 73 73 ILE CB C 403 43.414 43.414 41.909 1.505 17741 10400 1 18 . 1 1 73 73 ILE H H 403 7.042 7.042 7.147 -0.105 17741 10401 1 18 . 1 1 74 74 ARG N N 404 123.256 123.256 120.813 2.443 17741 10402 1 18 . 1 1 74 74 ARG HA H 404 4.751 4.751 4.570 0.181 17741 10403 1 18 . 1 1 74 74 ARG C C 404 174.757 174.757 173.804 0.953 17741 10404 1 18 . 1 1 74 74 ARG CA C 404 54.274 54.274 54.577 -0.303 17741 10405 1 18 . 1 1 74 74 ARG CB C 404 34.492 34.492 33.483 1.009 17741 10406 1 18 . 1 1 74 74 ARG H H 404 8.931 8.931 9.143 -0.212 17741 10407 1 18 . 1 1 75 75 LYS N N 405 125.627 125.627 121.373 4.254 17741 10408 1 18 . 1 1 75 75 LYS HA H 405 4.076 4.076 4.432 -0.356 17741 10409 1 18 . 1 1 75 75 LYS C C 405 176.481 176.481 176.029 0.452 17741 10410 1 18 . 1 1 75 75 LYS CA C 405 56.446 56.446 53.836 2.610 17741 10411 1 18 . 1 1 75 75 LYS CB C 405 32.758 32.758 33.796 -1.038 17741 10412 1 18 . 1 1 75 75 LYS H H 405 8.294 8.294 8.100 0.194 17741 10413 1 18 . 1 1 76 76 GLU N N 406 128.187 128.187 125.971 2.216 17741 10414 1 18 . 1 1 76 76 GLU HA H 406 4.447 4.447 4.517 -0.070 17741 10415 1 18 . 1 1 76 76 GLU C C 406 174.401 174.401 175.007 -0.606 17741 10416 1 18 . 1 1 76 76 GLU CA C 406 53.751 53.751 53.355 0.396 17741 10417 1 18 . 1 1 76 76 GLU CB C 406 29.951 29.951 28.206 1.745 17741 10418 1 18 . 1 1 76 76 GLU H H 406 8.016 8.016 8.054 -0.038 17741 10419 1 18 . 1 1 77 77 PRO HA H 407 4.288 4.288 4.346 -0.058 17741 10420 1 18 . 1 1 77 77 PRO C C 407 177.654 177.654 176.842 0.812 17741 10421 1 18 . 1 1 77 77 PRO CA C 407 63.433 63.433 63.044 0.389 17741 10422 1 18 . 1 1 77 77 PRO CB C 407 32.152 32.152 31.053 1.099 17741 10423 1 18 . 1 1 78 78 GLY N N 408 109.679 109.679 113.411 -3.732 17741 10424 1 18 . 1 1 78 78 GLY C C 408 173.976 173.976 174.237 -0.261 17741 10425 1 18 . 1 1 78 78 GLY CA C 408 45.539 45.539 44.823 0.716 17741 10426 1 18 . 1 1 78 78 GLY H H 408 8.514 8.514 8.465 0.049 17741 10427 1 18 . 1 1 79 79 GLN N N 409 116.897 116.897 120.182 -3.285 17741 10428 1 18 . 1 1 79 79 GLN HA H 409 4.489 4.489 4.434 0.054 17741 10429 1 18 . 1 1 79 79 GLN C C 409 175.371 175.371 175.698 -0.327 17741 10430 1 18 . 1 1 79 79 GLN CA C 409 54.472 54.472 55.045 -0.574 17741 10431 1 18 . 1 1 79 79 GLN CB C 409 31.301 31.301 29.474 1.827 17741 10432 1 18 . 1 1 79 79 GLN H H 409 7.572 7.572 8.642 -1.070 17741 10433 1 18 . 1 1 80 80 ARG N N 410 120.458 120.458 120.015 0.443 17741 10434 1 18 . 1 1 80 80 ARG HA H 410 4.275 4.275 4.167 0.108 17741 10435 1 18 . 1 1 80 80 ARG C C 410 176.227 176.227 177.130 -0.903 17741 10436 1 18 . 1 1 80 80 ARG CA C 410 56.891 56.891 58.259 -1.368 17741 10437 1 18 . 1 1 80 80 ARG CB C 410 31.475 31.475 30.236 1.239 17741 10438 1 18 . 1 1 80 80 ARG H H 410 8.254 8.254 8.674 -0.420 17741 10439 1 18 . 1 1 81 81 LEU N N 411 119.424 119.424 120.748 -1.324 17741 10440 1 18 . 1 1 81 81 LEU HA H 411 4.048 4.048 4.513 -0.465 17741 10441 1 18 . 1 1 81 81 LEU C C 411 173.277 173.277 175.000 -1.723 17741 10442 1 18 . 1 1 81 81 LEU CA C 411 55.111 55.111 53.712 1.399 17741 10443 1 18 . 1 1 81 81 LEU CB C 411 40.298 40.298 41.939 -1.641 17741 10444 1 18 . 1 1 81 81 LEU H H 411 8.467 8.467 7.923 0.544 17741 10445 1 18 . 1 1 82 82 LEU N N 412 119.126 119.126 122.055 -2.929 17741 10446 1 18 . 1 1 82 82 LEU HA H 412 5.036 5.036 4.712 0.324 17741 10447 1 18 . 1 1 82 82 LEU C C 412 175.323 175.323 174.446 0.877 17741 10448 1 18 . 1 1 82 82 LEU CA C 412 53.175 53.175 53.506 -0.331 17741 10449 1 18 . 1 1 82 82 LEU CB C 412 45.482 45.482 43.097 2.385 17741 10450 1 18 . 1 1 82 82 LEU H H 412 6.769 6.769 7.159 -0.390 17741 10451 1 18 . 1 1 83 83 PHE N N 413 122.107 122.107 123.972 -1.865 17741 10452 1 18 . 1 1 83 83 PHE HA H 413 4.848 4.848 4.932 -0.084 17741 10453 1 18 . 1 1 83 83 PHE C C 413 172.764 172.764 173.648 -0.884 17741 10454 1 18 . 1 1 83 83 PHE CA C 413 55.848 55.848 56.130 -0.282 17741 10455 1 18 . 1 1 83 83 PHE CB C 413 44.675 44.675 42.991 1.684 17741 10456 1 18 . 1 1 83 83 PHE H H 413 8.648 8.648 9.106 -0.458 17741 10457 1 18 . 1 1 84 84 ARG N N 414 119.466 119.466 122.019 -2.553 17741 10458 1 18 . 1 1 84 84 ARG HA H 414 5.578 5.578 5.328 0.250 17741 10459 1 18 . 1 1 84 84 ARG C C 414 177.476 177.476 175.245 2.231 17741 10460 1 18 . 1 1 84 84 ARG CA C 414 54.198 54.198 54.306 -0.108 17741 10461 1 18 . 1 1 84 84 ARG CB C 414 36.128 36.128 33.883 2.245 17741 10462 1 18 . 1 1 84 84 ARG H H 414 9.117 9.117 8.520 0.597 17741 10463 1 18 . 1 1 85 85 PHE N N 415 124.357 124.357 127.397 -3.040 17741 10464 1 18 . 1 1 85 85 PHE HA H 415 5.037 5.037 4.716 0.321 17741 10465 1 18 . 1 1 85 85 PHE C C 415 176.084 176.084 176.034 0.050 17741 10466 1 18 . 1 1 85 85 PHE CA C 415 59.719 59.719 60.532 -0.813 17741 10467 1 18 . 1 1 85 85 PHE CB C 415 40.812 40.812 39.202 1.610 17741 10468 1 18 . 1 1 85 85 PHE H H 415 8.984 8.984 9.604 -0.620 17741 10469 1 18 . 1 1 86 86 MET N N 416 121.301 121.301 122.787 -1.486 17741 10470 1 18 . 1 1 86 86 MET HA H 416 4.670 4.670 4.228 0.442 17741 10471 1 18 . 1 1 86 86 MET C C 416 176.543 176.543 176.636 -0.093 17741 10472 1 18 . 1 1 86 86 MET CA C 416 54.863 54.863 57.467 -2.603 17741 10473 1 18 . 1 1 86 86 MET CB C 416 31.711 31.711 32.507 -0.796 17741 10474 1 18 . 1 1 86 86 MET H H 416 8.671 8.671 8.582 0.089 17741 10475 1 18 . 1 1 87 87 LYS N N 417 117.759 117.759 115.671 2.088 17741 10476 1 18 . 1 1 87 87 LYS HA H 417 4.856 4.856 4.738 0.118 17741 10477 1 18 . 1 1 87 87 LYS C C 417 175.445 175.445 175.675 -0.230 17741 10478 1 18 . 1 1 87 87 LYS CA C 417 54.550 54.550 54.643 -0.093 17741 10479 1 18 . 1 1 87 87 LYS CB C 417 37.828 37.828 36.514 1.314 17741 10480 1 18 . 1 1 87 87 LYS H H 417 7.656 7.656 7.702 -0.046 17741 10481 1 18 . 1 1 88 88 THR N N 418 112.506 112.506 112.409 0.097 17741 10482 1 18 . 1 1 88 88 THR HA H 418 4.372 4.372 4.980 -0.608 17741 10483 1 18 . 1 1 88 88 THR C C 418 173.594 173.594 173.716 -0.122 17741 10484 1 18 . 1 1 88 88 THR CA C 418 59.640 59.640 58.617 1.023 17741 10485 1 18 . 1 1 88 88 THR CB C 418 68.065 68.065 68.958 -0.893 17741 10486 1 18 . 1 1 88 88 THR H H 418 8.685 8.685 9.332 -0.647 17741 10487 1 18 . 1 1 89 89 PRO HA H 419 3.748 3.748 3.866 -0.118 17741 10488 1 18 . 1 1 89 89 PRO C C 419 177.219 177.219 178.537 -1.318 17741 10489 1 18 . 1 1 89 89 PRO CA C 419 65.592 65.592 66.377 -0.785 17741 10490 1 18 . 1 1 89 89 PRO CB C 419 31.739 31.739 31.746 -0.007 17741 10491 1 18 . 1 1 90 90 ASP N N 420 114.631 114.631 115.908 -1.277 17741 10492 1 18 . 1 1 90 90 ASP HA H 420 4.265 4.265 4.393 -0.128 17741 10493 1 18 . 1 1 90 90 ASP C C 420 177.962 177.962 177.655 0.307 17741 10494 1 18 . 1 1 90 90 ASP CA C 420 56.371 56.371 56.470 -0.099 17741 10495 1 18 . 1 1 90 90 ASP CB C 420 40.662 40.662 40.633 0.029 17741 10496 1 18 . 1 1 90 90 ASP H H 420 7.962 7.962 8.592 -0.630 17741 10497 1 18 . 1 1 91 91 GLU N N 421 119.501 119.501 118.520 0.981 17741 10498 1 18 . 1 1 91 91 GLU HA H 421 4.043 4.043 4.122 -0.078 17741 10499 1 18 . 1 1 91 91 GLU C C 421 178.599 178.599 179.190 -0.591 17741 10500 1 18 . 1 1 91 91 GLU CA C 421 58.113 58.113 58.686 -0.573 17741 10501 1 18 . 1 1 91 91 GLU CB C 421 30.721 30.721 30.079 0.642 17741 10502 1 18 . 1 1 91 91 GLU H H 421 7.661 7.661 7.806 -0.145 17741 10503 1 18 . 1 1 92 92 ILE N N 422 120.594 120.594 120.983 -0.389 17741 10504 1 18 . 1 1 92 92 ILE HA H 422 3.641 3.641 3.703 -0.062 17741 10505 1 18 . 1 1 92 92 ILE C C 422 177.752 177.752 177.245 0.507 17741 10506 1 18 . 1 1 92 92 ILE CA C 422 62.931 62.931 64.832 -1.901 17741 10507 1 18 . 1 1 92 92 ILE CB C 422 38.185 38.185 37.961 0.224 17741 10508 1 18 . 1 1 92 92 ILE H H 422 7.861 7.861 8.152 -0.291 17741 10509 1 18 . 1 1 93 93 MET N N 423 119.187 119.187 116.274 2.913 17741 10510 1 18 . 1 1 93 93 MET HA H 423 4.391 4.391 4.426 -0.035 17741 10511 1 18 . 1 1 93 93 MET C C 423 176.982 176.982 177.416 -0.434 17741 10512 1 18 . 1 1 93 93 MET CA C 423 56.491 56.491 56.901 -0.410 17741 10513 1 18 . 1 1 93 93 MET CB C 423 32.584 32.584 31.959 0.625 17741 10514 1 18 . 1 1 93 93 MET H H 423 8.158 8.158 8.324 -0.166 17741 10515 1 18 . 1 1 94 94 SER N N 424 114.933 114.933 115.514 -0.581 17741 10516 1 18 . 1 1 94 94 SER HA H 424 4.394 4.394 4.368 0.026 17741 10517 1 18 . 1 1 94 94 SER C C 424 175.238 175.238 174.835 0.403 17741 10518 1 18 . 1 1 94 94 SER CA C 424 59.423 59.423 57.907 1.516 17741 10519 1 18 . 1 1 94 94 SER CB C 424 63.695 63.695 61.631 2.064 17741 10520 1 18 . 1 1 94 94 SER H H 424 7.854 7.854 7.724 0.130 17741 10521 1 18 . 1 1 95 95 GLY N N 425 110.045 110.045 109.961 0.084 17741 10522 1 18 . 1 1 95 95 GLY C C 425 174.194 174.194 176.001 -1.807 17741 10523 1 18 . 1 1 95 95 GLY CA C 425 45.432 45.432 45.358 0.074 17741 10524 1 18 . 1 1 95 95 GLY H H 425 8.061 8.061 7.808 0.253 17741 10525 1 18 . 1 1 96 96 ARG N N 426 119.987 119.987 121.736 -1.749 17741 10526 1 18 . 1 1 96 96 ARG HA H 426 4.475 4.475 4.065 0.410 17741 10527 1 18 . 1 1 96 96 ARG C C 426 177.308 177.308 177.663 -0.355 17741 10528 1 18 . 1 1 96 96 ARG CA C 426 56.195 56.195 58.496 -2.301 17741 10529 1 18 . 1 1 96 96 ARG CB C 426 30.354 30.354 30.143 0.211 17741 10530 1 18 . 1 1 96 96 ARG H H 426 8.092 8.092 7.855 0.237 17741 10531 1 18 . 1 1 97 97 THR N N 427 114.398 114.398 110.581 3.817 17741 10532 1 18 . 1 1 97 97 THR HA H 427 4.298 4.298 4.491 -0.193 17741 10533 1 18 . 1 1 97 97 THR C C 427 174.913 174.913 174.960 -0.047 17741 10534 1 18 . 1 1 97 97 THR CA C 427 62.673 62.673 61.398 1.275 17741 10535 1 18 . 1 1 97 97 THR CB C 427 69.473 69.473 68.766 0.707 17741 10536 1 18 . 1 1 97 97 THR H H 427 8.319 8.319 7.635 0.684 17741 10537 1 18 . 1 1 98 98 ASP N N 428 121.983 121.983 122.562 -0.579 17741 10538 1 18 . 1 1 98 98 ASP HA H 428 4.508 4.508 4.519 -0.011 17741 10539 1 18 . 1 1 98 98 ASP C C 428 176.956 176.956 177.868 -0.912 17741 10540 1 18 . 1 1 98 98 ASP CA C 428 55.433 55.433 57.177 -1.744 17741 10541 1 18 . 1 1 98 98 ASP CB C 428 40.746 40.746 41.074 -0.328 17741 10542 1 18 . 1 1 98 98 ASP H H 428 8.488 8.488 7.607 0.881 17741 10543 1 18 . 1 1 99 99 ARG N N 429 119.821 119.821 118.943 0.878 17741 10544 1 18 . 1 1 99 99 ARG HA H 429 4.277 4.277 4.058 0.219 17741 10545 1 18 . 1 1 99 99 ARG C C 429 177.078 177.078 178.856 -1.778 17741 10546 1 18 . 1 1 99 99 ARG CA C 429 56.984 56.984 58.735 -1.751 17741 10547 1 18 . 1 1 99 99 ARG CB C 429 30.224 30.224 30.098 0.126 17741 10548 1 18 . 1 1 99 99 ARG H H 429 8.088 8.088 7.721 0.367 17741 10549 1 18 . 1 1 100 100 LEU N N 430 120.887 120.887 121.025 -0.138 17741 10550 1 18 . 1 1 100 100 LEU HA H 430 4.176 4.176 4.233 -0.057 17741 10551 1 18 . 1 1 100 100 LEU C C 430 177.732 177.732 178.675 -0.943 17741 10552 1 18 . 1 1 100 100 LEU CA C 430 56.324 56.324 58.078 -1.754 17741 10553 1 18 . 1 1 100 100 LEU CB C 430 42.262 42.262 42.044 0.218 17741 10554 1 18 . 1 1 100 100 LEU H H 430 7.945 7.945 8.155 -0.210 17741 10555 1 18 . 1 1 101 101 GLU N N 431 119.799 119.799 117.390 2.409 17741 10556 1 18 . 1 1 101 101 GLU HA H 431 4.082 4.082 4.112 -0.030 17741 10557 1 18 . 1 1 101 101 GLU C C 431 177.281 177.281 178.314 -1.033 17741 10558 1 18 . 1 1 101 101 GLU CA C 431 58.011 58.011 58.926 -0.915 17741 10559 1 18 . 1 1 101 101 GLU CB C 431 30.191 30.191 29.602 0.589 17741 10560 1 18 . 1 1 101 101 GLU H H 431 8.268 8.268 8.086 0.182 17741 10561 1 18 . 1 1 102 102 HIS N N 432 118.048 118.048 115.713 2.335 17741 10562 1 18 . 1 1 102 102 HIS HA H 432 4.584 4.584 4.510 0.074 17741 10563 1 18 . 1 1 102 102 HIS C C 432 175.678 175.678 176.915 -1.237 17741 10564 1 18 . 1 1 102 102 HIS CA C 432 56.571 56.571 58.092 -1.521 17741 10565 1 18 . 1 1 102 102 HIS CB C 432 29.352 29.352 30.392 -1.040 17741 10566 1 18 . 1 1 102 102 HIS H H 432 8.166 8.166 8.174 -0.008 17741 10567 1 18 . 1 1 103 103 LEU N N 433 122.228 122.228 116.704 5.524 17741 10568 1 18 . 1 1 103 103 LEU HA H 433 4.176 4.176 4.118 0.058 17741 10569 1 18 . 1 1 103 103 LEU C C 433 177.904 177.904 178.246 -0.342 17741 10570 1 18 . 1 1 103 103 LEU CA C 433 56.237 56.237 56.498 -0.261 17741 10571 1 18 . 1 1 103 103 LEU CB C 433 42.305 42.305 41.981 0.324 17741 10572 1 18 . 1 1 103 103 LEU H H 433 8.072 8.072 7.786 0.286 17741 10573 1 18 . 1 1 104 104 GLU N N 434 119.413 119.413 117.538 1.875 17741 10574 1 18 . 1 1 104 104 GLU HA H 434 4.309 4.309 4.172 0.137 17741 10575 1 18 . 1 1 104 104 GLU C C 434 176.560 176.560 177.154 -0.594 17741 10576 1 18 . 1 1 104 104 GLU CA C 434 57.098 57.098 57.609 -0.511 17741 10577 1 18 . 1 1 104 104 GLU CB C 434 30.301 30.301 29.901 0.400 17741 10578 1 18 . 1 1 104 104 GLU H H 434 8.331 8.331 7.911 0.420 17741 10579 1 18 . 1 1 105 105 SER N N 435 115.859 115.859 115.090 0.769 17741 10580 1 18 . 1 1 105 105 SER HA H 435 4.443 4.443 4.290 0.153 17741 10581 1 18 . 1 1 105 105 SER C C 435 173.630 173.630 173.966 -0.336 17741 10582 1 18 . 1 1 105 105 SER CA C 435 58.591 58.591 59.261 -0.670 17741 10583 1 18 . 1 1 105 105 SER CB C 435 64.066 64.066 64.064 0.002 17741 10584 1 18 . 1 1 105 105 SER H H 435 7.976 7.976 7.437 0.539 17741 10585 1 19 . 1 1 5 5 ARG N N 335 123.531 123.531 121.223 2.308 17741 10586 1 19 . 1 1 5 5 ARG HA H 335 4.411 4.411 4.549 -0.138 17741 10587 1 19 . 1 1 5 5 ARG C C 335 176.473 176.473 175.661 0.812 17741 10588 1 19 . 1 1 5 5 ARG CA C 335 56.571 56.571 54.960 1.611 17741 10589 1 19 . 1 1 5 5 ARG CB C 335 31.352 31.352 31.375 -0.023 17741 10590 1 19 . 1 1 5 5 ARG H H 335 9.347 9.347 8.355 0.992 17741 10591 1 19 . 1 1 6 6 LEU N N 336 121.545 121.545 122.125 -0.580 17741 10592 1 19 . 1 1 6 6 LEU HA H 336 4.293 4.293 4.283 0.010 17741 10593 1 19 . 1 1 6 6 LEU C C 336 178.837 178.837 177.617 1.220 17741 10594 1 19 . 1 1 6 6 LEU CA C 336 54.652 54.652 55.285 -0.633 17741 10595 1 19 . 1 1 6 6 LEU CB C 336 43.365 43.365 41.771 1.594 17741 10596 1 19 . 1 1 6 6 LEU H H 336 8.556 8.556 8.528 0.028 17741 10597 1 19 . 1 1 7 7 LEU HA H 337 3.441 3.441 3.067 0.374 17741 10598 1 19 . 1 1 7 7 LEU C C 337 177.908 177.908 178.319 -0.411 17741 10599 1 19 . 1 1 7 7 LEU CA C 337 58.771 58.771 58.854 -0.083 17741 10600 1 19 . 1 1 7 7 LEU CB C 337 40.192 40.192 41.819 -1.627 17741 10601 1 19 . 1 1 8 8 TRP N N 338 114.624 114.624 116.172 -1.548 17741 10602 1 19 . 1 1 8 8 TRP HA H 338 3.785 3.785 4.295 -0.510 17741 10603 1 19 . 1 1 8 8 TRP C C 338 175.318 175.318 177.807 -2.489 17741 10604 1 19 . 1 1 8 8 TRP CA C 338 59.891 59.891 59.792 0.099 17741 10605 1 19 . 1 1 8 8 TRP CB C 338 28.359 28.359 28.277 0.082 17741 10606 1 19 . 1 1 8 8 TRP H H 338 7.515 7.515 7.311 0.204 17741 10607 1 19 . 1 1 9 9 ASP HA H 339 3.813 3.813 4.388 -0.575 17741 10608 1 19 . 1 1 9 9 ASP C C 339 177.355 177.355 177.779 -0.424 17741 10609 1 19 . 1 1 9 9 ASP CA C 339 56.291 56.291 56.700 -0.409 17741 10610 1 19 . 1 1 9 9 ASP CB C 339 41.591 41.591 40.371 1.220 17741 10611 1 19 . 1 1 10 10 TYR N N 340 120.906 120.906 120.594 0.312 17741 10612 1 19 . 1 1 10 10 TYR HA H 340 3.897 3.897 4.078 -0.181 17741 10613 1 19 . 1 1 10 10 TYR C C 340 177.011 177.011 177.262 -0.251 17741 10614 1 19 . 1 1 10 10 TYR CA C 340 61.913 61.913 60.979 0.934 17741 10615 1 19 . 1 1 10 10 TYR CB C 340 39.482 39.482 38.728 0.754 17741 10616 1 19 . 1 1 10 10 TYR H H 340 8.005 8.005 8.038 -0.033 17741 10617 1 19 . 1 1 11 11 VAL N N 341 115.016 115.016 118.236 -3.220 17741 10618 1 19 . 1 1 11 11 VAL HA H 341 2.992 2.992 3.174 -0.182 17741 10619 1 19 . 1 1 11 11 VAL C C 341 176.751 176.751 177.039 -0.288 17741 10620 1 19 . 1 1 11 11 VAL CA C 341 66.910 66.910 66.500 0.410 17741 10621 1 19 . 1 1 11 11 VAL CB C 341 30.968 30.968 30.995 -0.027 17741 10622 1 19 . 1 1 11 11 VAL H H 341 8.287 8.287 8.124 0.163 17741 10623 1 19 . 1 1 12 12 TYR N N 342 119.030 119.030 119.512 -0.482 17741 10624 1 19 . 1 1 12 12 TYR HA H 342 3.641 3.641 3.860 -0.219 17741 10625 1 19 . 1 1 12 12 TYR C C 342 178.659 178.659 177.826 0.833 17741 10626 1 19 . 1 1 12 12 TYR CA C 342 63.010 63.010 62.305 0.705 17741 10627 1 19 . 1 1 12 12 TYR CB C 342 38.212 38.212 37.713 0.499 17741 10628 1 19 . 1 1 12 12 TYR H H 342 7.673 7.673 7.930 -0.257 17741 10629 1 19 . 1 1 13 13 GLN N N 343 119.113 119.113 118.642 0.471 17741 10630 1 19 . 1 1 13 13 GLN HA H 343 3.828 3.828 4.134 -0.306 17741 10631 1 19 . 1 1 13 13 GLN C C 343 179.955 179.955 178.190 1.765 17741 10632 1 19 . 1 1 13 13 GLN CA C 343 58.871 58.871 58.228 0.643 17741 10633 1 19 . 1 1 13 13 GLN CB C 343 27.514 27.514 27.955 -0.441 17741 10634 1 19 . 1 1 13 13 GLN H H 343 8.161 8.161 7.512 0.649 17741 10635 1 19 . 1 1 14 14 LEU N N 344 121.401 121.401 120.776 0.625 17741 10636 1 19 . 1 1 14 14 LEU HA H 344 3.611 3.611 4.001 -0.390 17741 10637 1 19 . 1 1 14 14 LEU C C 344 179.789 179.789 179.376 0.413 17741 10638 1 19 . 1 1 14 14 LEU CA C 344 58.043 58.043 57.033 1.010 17741 10639 1 19 . 1 1 14 14 LEU CB C 344 41.598 41.598 41.526 0.072 17741 10640 1 19 . 1 1 14 14 LEU H H 344 7.825 7.825 7.577 0.248 17741 10641 1 19 . 1 1 15 15 LEU N N 345 116.853 116.853 118.028 -1.175 17741 10642 1 19 . 1 1 15 15 LEU HA H 345 3.504 3.504 3.855 -0.351 17741 10643 1 19 . 1 1 15 15 LEU C C 345 178.149 178.149 178.131 0.018 17741 10644 1 19 . 1 1 15 15 LEU CA C 345 56.473 56.473 56.322 0.152 17741 10645 1 19 . 1 1 15 15 LEU CB C 345 41.322 41.322 40.208 1.114 17741 10646 1 19 . 1 1 15 15 LEU H H 345 7.503 7.503 8.363 -0.860 17741 10647 1 19 . 1 1 16 16 SER N N 346 112.491 112.491 111.296 1.195 17741 10648 1 19 . 1 1 16 16 SER HA H 346 4.522 4.522 4.642 -0.120 17741 10649 1 19 . 1 1 16 16 SER C C 346 172.441 172.441 174.030 -1.589 17741 10650 1 19 . 1 1 16 16 SER CA C 346 58.859 58.859 58.267 0.592 17741 10651 1 19 . 1 1 16 16 SER CB C 346 63.987 63.987 63.925 0.062 17741 10652 1 19 . 1 1 16 16 SER H H 346 7.277 7.277 7.328 -0.051 17741 10653 1 19 . 1 1 17 17 ASP N N 347 122.161 122.161 121.122 1.039 17741 10654 1 19 . 1 1 17 17 ASP HA H 347 4.966 4.966 4.855 0.111 17741 10655 1 19 . 1 1 17 17 ASP C C 347 175.692 175.692 176.263 -0.571 17741 10656 1 19 . 1 1 17 17 ASP CA C 347 52.805 52.805 53.251 -0.446 17741 10657 1 19 . 1 1 17 17 ASP CB C 347 43.392 43.392 43.147 0.245 17741 10658 1 19 . 1 1 17 17 ASP H H 347 7.345 7.345 7.488 -0.143 17741 10659 1 19 . 1 1 18 18 SER N N 348 120.164 120.164 122.515 -2.351 17741 10660 1 19 . 1 1 18 18 SER HA H 348 4.356 4.356 4.287 0.069 17741 10661 1 19 . 1 1 18 18 SER C C 348 176.200 176.200 175.443 0.757 17741 10662 1 19 . 1 1 18 18 SER CA C 348 61.207 61.207 59.360 1.847 17741 10663 1 19 . 1 1 18 18 SER CB C 348 63.226 63.226 63.271 -0.045 17741 10664 1 19 . 1 1 18 18 SER H H 348 8.686 8.686 8.863 -0.177 17741 10665 1 19 . 1 1 19 19 ARG N N 349 122.701 122.701 118.845 3.856 17741 10666 1 19 . 1 1 19 19 ARG HA H 349 4.105 4.105 3.960 0.145 17741 10667 1 19 . 1 1 19 19 ARG C C 349 178.120 178.120 177.199 0.921 17741 10668 1 19 . 1 1 19 19 ARG CA C 349 58.604 58.604 57.801 0.803 17741 10669 1 19 . 1 1 19 19 ARG CB C 349 29.854 29.854 29.576 0.278 17741 10670 1 19 . 1 1 19 19 ARG H H 349 8.597 8.597 7.789 0.808 17741 10671 1 19 . 1 1 20 20 TYR N N 350 116.257 116.257 116.325 -0.068 17741 10672 1 19 . 1 1 20 20 TYR HA H 350 4.884 4.884 4.595 0.289 17741 10673 1 19 . 1 1 20 20 TYR C C 350 176.977 176.977 175.569 1.408 17741 10674 1 19 . 1 1 20 20 TYR CA C 350 58.758 58.758 56.806 1.952 17741 10675 1 19 . 1 1 20 20 TYR CB C 350 37.602 37.602 38.142 -0.541 17741 10676 1 19 . 1 1 20 20 TYR H H 350 8.285 8.285 7.632 0.653 17741 10677 1 19 . 1 1 21 21 GLU N N 351 120.807 120.807 120.491 0.316 17741 10678 1 19 . 1 1 21 21 GLU HA H 351 4.454 4.454 4.448 0.006 17741 10679 1 19 . 1 1 21 21 GLU C C 351 176.277 176.277 177.709 -1.432 17741 10680 1 19 . 1 1 21 21 GLU CA C 351 59.135 59.135 58.320 0.815 17741 10681 1 19 . 1 1 21 21 GLU CB C 351 29.674 29.674 28.648 1.026 17741 10682 1 19 . 1 1 21 21 GLU H H 351 7.527 7.527 7.455 0.072 17741 10683 1 19 . 1 1 22 22 ASN N N 352 114.501 114.501 115.464 -0.963 17741 10684 1 19 . 1 1 22 22 ASN HA H 352 4.471 4.471 4.556 -0.085 17741 10685 1 19 . 1 1 22 22 ASN C C 352 174.426 174.426 175.824 -1.398 17741 10686 1 19 . 1 1 22 22 ASN CA C 352 54.002 54.002 54.776 -0.774 17741 10687 1 19 . 1 1 22 22 ASN CB C 352 36.943 36.943 38.508 -1.565 17741 10688 1 19 . 1 1 22 22 ASN H H 352 8.647 8.647 8.051 0.596 17741 10689 1 19 . 1 1 23 23 PHE N N 353 115.528 115.528 115.632 -0.104 17741 10690 1 19 . 1 1 23 23 PHE HA H 353 4.751 4.751 4.757 -0.006 17741 10691 1 19 . 1 1 23 23 PHE C C 353 176.374 176.374 175.750 0.624 17741 10692 1 19 . 1 1 23 23 PHE CA C 353 59.617 59.617 57.992 1.625 17741 10693 1 19 . 1 1 23 23 PHE CB C 353 41.431 41.431 41.000 0.431 17741 10694 1 19 . 1 1 23 23 PHE H H 353 8.578 8.578 7.713 0.865 17741 10695 1 19 . 1 1 24 24 ILE N N 354 120.520 120.520 118.555 1.965 17741 10696 1 19 . 1 1 24 24 ILE HA H 354 5.063 5.063 5.047 0.016 17741 10697 1 19 . 1 1 24 24 ILE C C 354 170.331 170.331 172.959 -2.628 17741 10698 1 19 . 1 1 24 24 ILE CA C 354 59.835 59.835 60.785 -0.950 17741 10699 1 19 . 1 1 24 24 ILE CB C 354 40.605 40.605 41.821 -1.216 17741 10700 1 19 . 1 1 24 24 ILE H H 354 8.436 8.436 8.410 0.026 17741 10701 1 19 . 1 1 25 25 ARG N N 355 121.401 121.401 121.700 -0.299 17741 10702 1 19 . 1 1 25 25 ARG HA H 355 4.916 4.916 4.817 0.099 17741 10703 1 19 . 1 1 25 25 ARG C C 355 175.099 175.099 174.006 1.093 17741 10704 1 19 . 1 1 25 25 ARG CA C 355 54.461 54.461 54.936 -0.475 17741 10705 1 19 . 1 1 25 25 ARG CB C 355 33.662 33.662 33.741 -0.079 17741 10706 1 19 . 1 1 25 25 ARG H H 355 8.668 8.668 8.947 -0.279 17741 10707 1 19 . 1 1 26 26 TRP N N 356 122.022 122.022 123.846 -1.824 17741 10708 1 19 . 1 1 26 26 TRP HA H 356 4.894 4.894 4.894 0.000 17741 10709 1 19 . 1 1 26 26 TRP C C 356 176.606 176.606 176.953 -0.347 17741 10710 1 19 . 1 1 26 26 TRP CA C 356 57.835 57.835 57.471 0.364 17741 10711 1 19 . 1 1 26 26 TRP CB C 356 30.564 30.564 29.552 1.012 17741 10712 1 19 . 1 1 26 26 TRP H H 356 9.149 9.149 9.000 0.149 17741 10713 1 19 . 1 1 27 27 GLU N N 357 125.415 125.415 125.440 -0.025 17741 10714 1 19 . 1 1 27 27 GLU HA H 357 4.686 4.686 4.378 0.308 17741 10715 1 19 . 1 1 27 27 GLU C C 357 176.709 176.709 176.277 0.432 17741 10716 1 19 . 1 1 27 27 GLU CA C 357 56.939 56.939 58.195 -1.256 17741 10717 1 19 . 1 1 27 27 GLU CB C 357 31.545 31.545 30.655 0.890 17741 10718 1 19 . 1 1 27 27 GLU H H 357 9.524 9.524 8.655 0.869 17741 10719 1 19 . 1 1 28 28 ASP N N 358 116.214 116.214 118.894 -2.680 17741 10720 1 19 . 1 1 28 28 ASP HA H 358 4.759 4.759 4.866 -0.107 17741 10721 1 19 . 1 1 28 28 ASP C C 358 176.124 176.124 175.503 0.621 17741 10722 1 19 . 1 1 28 28 ASP CA C 358 53.481 53.481 53.322 0.159 17741 10723 1 19 . 1 1 28 28 ASP CB C 358 41.921 41.921 42.341 -0.420 17741 10724 1 19 . 1 1 28 28 ASP H H 358 7.828 7.828 8.168 -0.340 17741 10725 1 19 . 1 1 29 29 LYS N N 359 127.750 127.750 125.618 2.132 17741 10726 1 19 . 1 1 29 29 LYS HA H 359 3.162 3.162 2.942 0.220 17741 10727 1 19 . 1 1 29 29 LYS C C 359 178.683 178.683 178.068 0.615 17741 10728 1 19 . 1 1 29 29 LYS CA C 359 60.173 60.173 58.777 1.396 17741 10729 1 19 . 1 1 29 29 LYS CB C 359 32.728 32.728 32.135 0.593 17741 10730 1 19 . 1 1 29 29 LYS H H 359 9.221 9.221 8.622 0.599 17741 10731 1 19 . 1 1 30 30 GLU N N 360 119.608 119.608 117.338 2.270 17741 10732 1 19 . 1 1 30 30 GLU HA H 360 3.923 3.923 4.075 -0.152 17741 10733 1 19 . 1 1 30 30 GLU C C 360 178.598 178.598 177.652 0.946 17741 10734 1 19 . 1 1 30 30 GLU CA C 360 59.512 59.512 58.009 1.503 17741 10735 1 19 . 1 1 30 30 GLU CB C 360 29.188 29.188 29.262 -0.074 17741 10736 1 19 . 1 1 30 30 GLU H H 360 8.343 8.343 8.239 0.104 17741 10737 1 19 . 1 1 31 31 SER N N 361 113.313 113.313 113.583 -0.270 17741 10738 1 19 . 1 1 31 31 SER HA H 361 4.485 4.485 4.591 -0.106 17741 10739 1 19 . 1 1 31 31 SER C C 361 172.284 172.284 173.354 -1.070 17741 10740 1 19 . 1 1 31 31 SER CA C 361 58.745 58.745 58.332 0.413 17741 10741 1 19 . 1 1 31 31 SER CB C 361 63.728 63.728 63.787 -0.059 17741 10742 1 19 . 1 1 31 31 SER H H 361 7.466 7.466 8.098 -0.632 17741 10743 1 19 . 1 1 32 32 LYS N N 362 115.197 115.197 118.620 -3.423 17741 10744 1 19 . 1 1 32 32 LYS HA H 362 3.894 3.894 3.774 0.120 17741 10745 1 19 . 1 1 32 32 LYS C C 362 175.489 175.489 174.870 0.619 17741 10746 1 19 . 1 1 32 32 LYS CA C 362 57.641 57.641 57.453 0.188 17741 10747 1 19 . 1 1 32 32 LYS CB C 362 29.811 29.811 30.069 -0.258 17741 10748 1 19 . 1 1 32 32 LYS H H 362 7.741 7.741 7.412 0.329 17741 10749 1 19 . 1 1 33 33 ILE N N 363 118.359 118.359 118.972 -0.613 17741 10750 1 19 . 1 1 33 33 ILE HA H 363 5.356 5.356 5.198 0.158 17741 10751 1 19 . 1 1 33 33 ILE C C 363 177.019 177.019 175.558 1.461 17741 10752 1 19 . 1 1 33 33 ILE CA C 363 60.455 60.455 60.802 -0.347 17741 10753 1 19 . 1 1 33 33 ILE CB C 363 40.081 40.081 40.238 -0.157 17741 10754 1 19 . 1 1 33 33 ILE H H 363 8.268 8.268 8.513 -0.245 17741 10755 1 19 . 1 1 34 34 PHE N N 364 128.287 128.287 125.294 2.993 17741 10756 1 19 . 1 1 34 34 PHE HA H 364 5.576 5.576 5.697 -0.121 17741 10757 1 19 . 1 1 34 34 PHE C C 364 170.447 170.447 172.937 -2.490 17741 10758 1 19 . 1 1 34 34 PHE CA C 364 55.128 55.128 55.562 -0.434 17741 10759 1 19 . 1 1 34 34 PHE CB C 364 44.010 44.010 42.916 1.094 17741 10760 1 19 . 1 1 34 34 PHE H H 364 9.962 9.962 9.498 0.464 17741 10761 1 19 . 1 1 35 35 ARG N N 365 120.900 120.900 122.175 -1.275 17741 10762 1 19 . 1 1 35 35 ARG HA H 365 5.486 5.486 5.066 0.420 17741 10763 1 19 . 1 1 35 35 ARG C C 365 176.462 176.462 175.495 0.967 17741 10764 1 19 . 1 1 35 35 ARG CA C 365 53.609 53.609 53.741 -0.132 17741 10765 1 19 . 1 1 35 35 ARG CB C 365 36.518 36.518 32.774 3.744 17741 10766 1 19 . 1 1 35 35 ARG H H 365 9.427 9.427 9.299 0.128 17741 10767 1 19 . 1 1 36 36 ILE N N 366 125.534 125.534 128.316 -2.782 17741 10768 1 19 . 1 1 36 36 ILE HA H 366 4.209 4.209 4.173 0.036 17741 10769 1 19 . 1 1 36 36 ILE C C 366 173.899 173.899 175.465 -1.566 17741 10770 1 19 . 1 1 36 36 ILE CA C 366 63.033 63.033 62.617 0.416 17741 10771 1 19 . 1 1 36 36 ILE CB C 366 37.889 37.889 37.489 0.400 17741 10772 1 19 . 1 1 36 36 ILE H H 366 8.643 8.643 9.115 -0.472 17741 10773 1 19 . 1 1 37 37 VAL N N 367 129.194 129.194 127.336 1.858 17741 10774 1 19 . 1 1 37 37 VAL HA H 367 3.679 3.679 3.926 -0.247 17741 10775 1 19 . 1 1 37 37 VAL C C 367 175.919 175.919 176.386 -0.467 17741 10776 1 19 . 1 1 37 37 VAL CA C 367 64.068 64.068 63.897 0.171 17741 10777 1 19 . 1 1 37 37 VAL CB C 367 32.884 32.884 32.110 0.774 17741 10778 1 19 . 1 1 37 37 VAL H H 367 7.841 7.841 8.235 -0.394 17741 10779 1 19 . 1 1 38 38 ASP N N 368 114.969 114.969 118.079 -3.110 17741 10780 1 19 . 1 1 38 38 ASP HA H 368 5.222 5.222 4.990 0.232 17741 10781 1 19 . 1 1 38 38 ASP C C 368 173.227 173.227 174.558 -1.331 17741 10782 1 19 . 1 1 38 38 ASP CA C 368 50.238 50.238 51.504 -1.266 17741 10783 1 19 . 1 1 38 38 ASP CB C 368 42.181 42.181 42.661 -0.480 17741 10784 1 19 . 1 1 38 38 ASP H H 368 7.316 7.316 7.934 -0.618 17741 10785 1 19 . 1 1 39 39 PRO HA H 369 3.809 3.809 4.052 -0.243 17741 10786 1 19 . 1 1 39 39 PRO C C 369 177.958 177.958 178.243 -0.285 17741 10787 1 19 . 1 1 39 39 PRO CA C 369 65.612 65.612 65.019 0.593 17741 10788 1 19 . 1 1 39 39 PRO CB C 369 31.068 31.068 31.659 -0.591 17741 10789 1 19 . 1 1 40 40 ASN N N 370 115.480 115.480 116.815 -1.335 17741 10790 1 19 . 1 1 40 40 ASN HA H 370 4.604 4.604 4.412 0.192 17741 10791 1 19 . 1 1 40 40 ASN C C 370 178.566 178.566 177.513 1.053 17741 10792 1 19 . 1 1 40 40 ASN CA C 370 56.471 56.471 57.043 -0.572 17741 10793 1 19 . 1 1 40 40 ASN CB C 370 38.068 38.068 38.069 -0.001 17741 10794 1 19 . 1 1 40 40 ASN H H 370 8.094 8.094 8.390 -0.296 17741 10795 1 19 . 1 1 41 41 GLY N N 371 111.371 111.371 107.705 3.666 17741 10796 1 19 . 1 1 41 41 GLY C C 371 176.018 176.018 175.716 0.302 17741 10797 1 19 . 1 1 41 41 GLY CA C 371 47.862 47.862 46.214 1.648 17741 10798 1 19 . 1 1 41 41 GLY H H 371 8.632 8.632 8.946 -0.314 17741 10799 1 19 . 1 1 42 42 LEU N N 372 122.901 122.901 122.174 0.727 17741 10800 1 19 . 1 1 42 42 LEU HA H 372 4.035 4.035 4.220 -0.185 17741 10801 1 19 . 1 1 42 42 LEU C C 372 177.704 177.704 178.669 -0.965 17741 10802 1 19 . 1 1 42 42 LEU CA C 372 57.913 57.913 56.953 0.960 17741 10803 1 19 . 1 1 42 42 LEU CB C 372 42.136 42.136 41.330 0.806 17741 10804 1 19 . 1 1 42 42 LEU H H 372 8.876 8.876 7.817 1.059 17741 10805 1 19 . 1 1 43 43 ALA N N 373 120.103 120.103 121.983 -1.880 17741 10806 1 19 . 1 1 43 43 ALA HA H 373 4.462 4.462 4.182 0.280 17741 10807 1 19 . 1 1 43 43 ALA C C 373 179.091 179.091 179.088 0.003 17741 10808 1 19 . 1 1 43 43 ALA CA C 373 55.441 55.441 55.394 0.047 17741 10809 1 19 . 1 1 43 43 ALA CB C 373 18.098 18.098 18.533 -0.435 17741 10810 1 19 . 1 1 43 43 ALA H H 373 8.062 8.062 8.671 -0.609 17741 10811 1 19 . 1 1 44 44 ARG N N 374 118.071 118.071 119.038 -0.967 17741 10812 1 19 . 1 1 44 44 ARG HA H 374 4.117 4.117 4.081 0.036 17741 10813 1 19 . 1 1 44 44 ARG C C 374 179.414 179.414 178.426 0.988 17741 10814 1 19 . 1 1 44 44 ARG CA C 374 59.297 59.297 58.960 0.337 17741 10815 1 19 . 1 1 44 44 ARG CB C 374 30.069 30.069 29.717 0.352 17741 10816 1 19 . 1 1 44 44 ARG H H 374 7.725 7.725 7.691 0.034 17741 10817 1 19 . 1 1 45 45 LEU N N 375 121.601 121.601 120.934 0.667 17741 10818 1 19 . 1 1 45 45 LEU HA H 375 4.015 4.015 4.206 -0.191 17741 10819 1 19 . 1 1 45 45 LEU C C 375 180.087 180.087 178.953 1.134 17741 10820 1 19 . 1 1 45 45 LEU CA C 375 58.553 58.553 58.248 0.305 17741 10821 1 19 . 1 1 45 45 LEU CB C 375 41.495 41.495 41.373 0.122 17741 10822 1 19 . 1 1 45 45 LEU H H 375 7.877 7.877 7.460 0.417 17741 10823 1 19 . 1 1 46 46 TRP N N 376 121.543 121.543 121.142 0.401 17741 10824 1 19 . 1 1 46 46 TRP HA H 376 4.333 4.333 3.940 0.393 17741 10825 1 19 . 1 1 46 46 TRP C C 376 177.572 177.572 178.466 -0.894 17741 10826 1 19 . 1 1 46 46 TRP CA C 376 59.091 59.091 59.259 -0.168 17741 10827 1 19 . 1 1 46 46 TRP CB C 376 30.305 30.305 29.766 0.539 17741 10828 1 19 . 1 1 46 46 TRP H H 376 8.615 8.615 8.256 0.359 17741 10829 1 19 . 1 1 47 47 GLY N N 377 105.532 105.532 105.689 -0.157 17741 10830 1 19 . 1 1 47 47 GLY C C 377 176.057 176.057 176.013 0.044 17741 10831 1 19 . 1 1 47 47 GLY CA C 377 48.035 48.035 46.640 1.395 17741 10832 1 19 . 1 1 47 47 GLY H H 377 8.877 8.877 8.830 0.047 17741 10833 1 19 . 1 1 48 48 ASN N N 378 119.996 119.996 119.647 0.349 17741 10834 1 19 . 1 1 48 48 ASN HA H 378 4.403 4.403 4.495 -0.092 17741 10835 1 19 . 1 1 48 48 ASN C C 378 178.112 178.112 176.714 1.398 17741 10836 1 19 . 1 1 48 48 ASN CA C 378 56.229 56.229 55.916 0.313 17741 10837 1 19 . 1 1 48 48 ASN CB C 378 38.272 38.272 38.677 -0.405 17741 10838 1 19 . 1 1 48 48 ASN H H 378 8.176 8.176 8.050 0.126 17741 10839 1 19 . 1 1 49 49 HIS N N 379 121.459 121.459 118.776 2.683 17741 10840 1 19 . 1 1 49 49 HIS HA H 379 4.129 4.129 4.366 -0.237 17741 10841 1 19 . 1 1 49 49 HIS C C 379 175.858 175.858 176.348 -0.490 17741 10842 1 19 . 1 1 49 49 HIS CA C 379 59.234 59.234 58.791 0.443 17741 10843 1 19 . 1 1 49 49 HIS CB C 379 29.473 29.473 29.905 -0.432 17741 10844 1 19 . 1 1 49 49 HIS H H 379 8.138 8.138 8.459 -0.321 17741 10845 1 19 . 1 1 50 50 LYS N N 380 115.130 115.130 116.148 -1.018 17741 10846 1 19 . 1 1 50 50 LYS HA H 380 3.797 3.797 4.007 -0.210 17741 10847 1 19 . 1 1 50 50 LYS C C 380 175.468 175.468 175.615 -0.147 17741 10848 1 19 . 1 1 50 50 LYS CA C 380 54.085 54.085 55.693 -1.608 17741 10849 1 19 . 1 1 50 50 LYS CB C 380 30.887 30.887 32.766 -1.879 17741 10850 1 19 . 1 1 50 50 LYS H H 380 7.552 7.552 7.646 -0.094 17741 10851 1 19 . 1 1 51 51 ASN N N 381 116.632 116.632 117.809 -1.177 17741 10852 1 19 . 1 1 51 51 ASN HA H 381 4.264 4.264 4.284 -0.020 17741 10853 1 19 . 1 1 51 51 ASN C C 381 174.332 174.332 173.800 0.532 17741 10854 1 19 . 1 1 51 51 ASN CA C 381 54.189 54.189 53.931 0.258 17741 10855 1 19 . 1 1 51 51 ASN CB C 381 37.343 37.343 37.499 -0.156 17741 10856 1 19 . 1 1 51 51 ASN H H 381 7.715 7.715 7.801 -0.086 17741 10857 1 19 . 1 1 52 52 ARG N N 382 117.701 117.701 119.335 -1.634 17741 10858 1 19 . 1 1 52 52 ARG HA H 382 4.583 4.583 4.643 -0.060 17741 10859 1 19 . 1 1 52 52 ARG C C 382 176.172 176.172 177.114 -0.942 17741 10860 1 19 . 1 1 52 52 ARG CA C 382 54.167 54.167 54.131 0.036 17741 10861 1 19 . 1 1 52 52 ARG CB C 382 31.882 31.882 30.834 1.048 17741 10862 1 19 . 1 1 52 52 ARG H H 382 8.465 8.465 7.875 0.590 17741 10863 1 19 . 1 1 53 53 THR N N 383 114.338 114.338 119.506 -5.168 17741 10864 1 19 . 1 1 53 53 THR HA H 383 4.208 4.208 4.094 0.114 17741 10865 1 19 . 1 1 53 53 THR C C 383 174.496 174.496 175.159 -0.663 17741 10866 1 19 . 1 1 53 53 THR CA C 383 62.345 62.345 64.661 -2.316 17741 10867 1 19 . 1 1 53 53 THR CB C 383 69.699 69.699 68.917 0.782 17741 10868 1 19 . 1 1 53 53 THR H H 383 8.274 8.274 8.751 -0.477 17741 10869 1 19 . 1 1 54 54 ASN N N 384 119.031 119.031 118.200 0.831 17741 10870 1 19 . 1 1 54 54 ASN HA H 384 4.607 4.607 4.771 -0.164 17741 10871 1 19 . 1 1 54 54 ASN C C 384 174.829 174.829 173.627 1.202 17741 10872 1 19 . 1 1 54 54 ASN CA C 384 53.155 53.155 52.934 0.221 17741 10873 1 19 . 1 1 54 54 ASN CB C 384 37.871 37.871 38.425 -0.554 17741 10874 1 19 . 1 1 54 54 ASN H H 384 8.457 8.457 8.176 0.281 17741 10875 1 19 . 1 1 55 55 MET N N 385 119.922 119.922 119.427 0.495 17741 10876 1 19 . 1 1 55 55 MET HA H 385 4.558 4.558 4.434 0.124 17741 10877 1 19 . 1 1 55 55 MET C C 385 174.921 174.921 175.093 -0.172 17741 10878 1 19 . 1 1 55 55 MET CA C 385 55.271 55.271 56.278 -1.007 17741 10879 1 19 . 1 1 55 55 MET CB C 385 30.991 30.991 32.923 -1.932 17741 10880 1 19 . 1 1 55 55 MET H H 385 8.073 8.073 7.418 0.655 17741 10881 1 19 . 1 1 56 56 THR N N 386 113.771 113.771 114.188 -0.417 17741 10882 1 19 . 1 1 56 56 THR HA H 386 4.693 4.693 4.626 0.067 17741 10883 1 19 . 1 1 56 56 THR C C 386 175.459 175.459 174.637 0.822 17741 10884 1 19 . 1 1 56 56 THR CA C 386 59.043 59.043 60.096 -1.053 17741 10885 1 19 . 1 1 56 56 THR CB C 386 72.393 72.393 71.972 0.421 17741 10886 1 19 . 1 1 56 56 THR H H 386 7.076 7.076 7.672 -0.596 17741 10887 1 19 . 1 1 57 57 TYR N N 387 123.521 123.521 122.187 1.334 17741 10888 1 19 . 1 1 57 57 TYR HA H 387 4.127 4.127 4.196 -0.069 17741 10889 1 19 . 1 1 57 57 TYR C C 387 177.432 177.432 176.998 0.434 17741 10890 1 19 . 1 1 57 57 TYR CA C 387 62.527 62.527 61.168 1.359 17741 10891 1 19 . 1 1 57 57 TYR CB C 387 37.289 37.289 38.445 -1.156 17741 10892 1 19 . 1 1 57 57 TYR H H 387 9.726 9.726 8.853 0.873 17741 10893 1 19 . 1 1 58 58 GLU N N 388 121.083 121.083 119.681 1.402 17741 10894 1 19 . 1 1 58 58 GLU HA H 388 3.825 3.825 3.816 0.009 17741 10895 1 19 . 1 1 58 58 GLU C C 388 179.225 179.225 178.922 0.303 17741 10896 1 19 . 1 1 58 58 GLU CA C 388 60.476 60.476 60.187 0.289 17741 10897 1 19 . 1 1 58 58 GLU CB C 388 29.087 29.087 28.866 0.221 17741 10898 1 19 . 1 1 58 58 GLU H H 388 8.843 8.843 8.817 0.026 17741 10899 1 19 . 1 1 59 59 LYS N N 389 119.209 119.209 119.354 -0.145 17741 10900 1 19 . 1 1 59 59 LYS HA H 389 3.971 3.971 4.000 -0.029 17741 10901 1 19 . 1 1 59 59 LYS C C 389 179.944 179.944 178.952 0.992 17741 10902 1 19 . 1 1 59 59 LYS CA C 389 59.897 59.897 58.803 1.094 17741 10903 1 19 . 1 1 59 59 LYS CB C 389 33.359 33.359 31.990 1.369 17741 10904 1 19 . 1 1 59 59 LYS H H 389 7.605 7.605 8.016 -0.411 17741 10905 1 19 . 1 1 60 60 MET N N 390 122.401 122.401 120.079 2.322 17741 10906 1 19 . 1 1 60 60 MET HA H 390 3.944 3.944 3.857 0.087 17741 10907 1 19 . 1 1 60 60 MET C C 390 177.716 177.716 177.333 0.383 17741 10908 1 19 . 1 1 60 60 MET CA C 390 59.547 59.547 59.064 0.483 17741 10909 1 19 . 1 1 60 60 MET CB C 390 33.315 33.315 32.244 1.071 17741 10910 1 19 . 1 1 60 60 MET H H 390 8.229 8.229 7.514 0.715 17741 10911 1 19 . 1 1 61 61 SER N N 391 114.652 114.652 114.793 -0.141 17741 10912 1 19 . 1 1 61 61 SER HA H 391 3.771 3.771 3.699 0.072 17741 10913 1 19 . 1 1 61 61 SER C C 391 176.449 176.449 176.270 0.179 17741 10914 1 19 . 1 1 61 61 SER CA C 391 61.554 61.554 61.215 0.339 17741 10915 1 19 . 1 1 61 61 SER CB C 391 62.278 62.278 62.717 -0.439 17741 10916 1 19 . 1 1 61 61 SER H H 391 8.829 8.829 8.133 0.696 17741 10917 1 19 . 1 1 62 62 ARG N N 392 122.213 122.213 120.173 2.040 17741 10918 1 19 . 1 1 62 62 ARG HA H 392 3.945 3.945 3.844 0.101 17741 10919 1 19 . 1 1 62 62 ARG C C 392 178.600 178.600 178.285 0.315 17741 10920 1 19 . 1 1 62 62 ARG CA C 392 59.571 59.571 58.553 1.018 17741 10921 1 19 . 1 1 62 62 ARG CB C 392 29.914 29.914 29.222 0.692 17741 10922 1 19 . 1 1 62 62 ARG H H 392 7.413 7.413 7.885 -0.472 17741 10923 1 19 . 1 1 63 63 ALA N N 393 122.327 122.327 121.817 0.510 17741 10924 1 19 . 1 1 63 63 ALA HA H 393 4.157 4.157 3.737 0.420 17741 10925 1 19 . 1 1 63 63 ALA C C 393 180.147 180.147 179.135 1.012 17741 10926 1 19 . 1 1 63 63 ALA CA C 393 54.749 54.749 54.581 0.168 17741 10927 1 19 . 1 1 63 63 ALA CB C 393 18.529 18.529 17.884 0.645 17741 10928 1 19 . 1 1 63 63 ALA H H 393 7.256 7.256 7.348 -0.092 17741 10929 1 19 . 1 1 64 64 LEU N N 394 117.582 117.582 117.992 -0.410 17741 10930 1 19 . 1 1 64 64 LEU HA H 394 3.769 3.769 3.495 0.274 17741 10931 1 19 . 1 1 64 64 LEU C C 394 178.139 178.139 178.690 -0.551 17741 10932 1 19 . 1 1 64 64 LEU CA C 394 58.012 58.012 57.206 0.806 17741 10933 1 19 . 1 1 64 64 LEU CB C 394 41.396 41.396 41.185 0.211 17741 10934 1 19 . 1 1 64 64 LEU H H 394 7.768 7.768 7.544 0.224 17741 10935 1 19 . 1 1 65 65 ARG N N 395 116.204 116.204 117.162 -0.958 17741 10936 1 19 . 1 1 65 65 ARG HA H 395 3.445 3.445 3.277 0.168 17741 10937 1 19 . 1 1 65 65 ARG C C 395 179.423 179.423 178.801 0.622 17741 10938 1 19 . 1 1 65 65 ARG CA C 395 58.829 58.829 58.270 0.559 17741 10939 1 19 . 1 1 65 65 ARG CB C 395 29.776 29.776 29.145 0.631 17741 10940 1 19 . 1 1 65 65 ARG H H 395 7.595 7.595 8.213 -0.618 17741 10941 1 19 . 1 1 66 66 HIS N N 396 118.573 118.573 119.346 -0.773 17741 10942 1 19 . 1 1 66 66 HIS HA H 396 4.401 4.401 4.297 0.104 17741 10943 1 19 . 1 1 66 66 HIS C C 396 177.218 177.218 177.815 -0.597 17741 10944 1 19 . 1 1 66 66 HIS CA C 396 58.821 58.821 59.073 -0.252 17741 10945 1 19 . 1 1 66 66 HIS CB C 396 29.753 29.753 29.746 0.007 17741 10946 1 19 . 1 1 66 66 HIS H H 396 7.362 7.362 7.895 -0.533 17741 10947 1 19 . 1 1 67 67 TYR N N 397 115.773 115.773 118.778 -3.005 17741 10948 1 19 . 1 1 67 67 TYR HA H 397 4.259 4.259 4.113 0.146 17741 10949 1 19 . 1 1 67 67 TYR C C 397 178.802 178.802 178.189 0.613 17741 10950 1 19 . 1 1 67 67 TYR CA C 397 60.329 60.329 59.569 0.759 17741 10951 1 19 . 1 1 67 67 TYR CB C 397 37.379 37.379 36.664 0.715 17741 10952 1 19 . 1 1 67 67 TYR H H 397 7.568 7.568 7.846 -0.278 17741 10953 1 19 . 1 1 68 68 TYR N N 398 121.825 121.825 118.988 2.837 17741 10954 1 19 . 1 1 68 68 TYR HA H 398 5.413 5.413 5.081 0.332 17741 10955 1 19 . 1 1 68 68 TYR C C 398 181.169 181.169 179.055 2.114 17741 10956 1 19 . 1 1 68 68 TYR CA C 398 57.775 57.775 58.699 -0.924 17741 10957 1 19 . 1 1 68 68 TYR CB C 398 36.972 36.972 37.430 -0.458 17741 10958 1 19 . 1 1 68 68 TYR H H 398 8.116 8.116 7.495 0.621 17741 10959 1 19 . 1 1 69 69 LYS N N 399 120.934 120.934 118.497 2.437 17741 10960 1 19 . 1 1 69 69 LYS HA H 399 4.127 4.127 4.203 -0.076 17741 10961 1 19 . 1 1 69 69 LYS C C 399 177.928 177.928 178.105 -0.177 17741 10962 1 19 . 1 1 69 69 LYS CA C 399 58.912 58.912 58.765 0.147 17741 10963 1 19 . 1 1 69 69 LYS CB C 399 32.188 32.188 32.367 -0.179 17741 10964 1 19 . 1 1 69 69 LYS H H 399 7.771 7.771 7.597 0.174 17741 10965 1 19 . 1 1 70 70 LEU N N 400 116.022 116.022 118.243 -2.221 17741 10966 1 19 . 1 1 70 70 LEU HA H 400 4.291 4.291 4.296 -0.005 17741 10967 1 19 . 1 1 70 70 LEU C C 400 175.827 175.827 175.945 -0.118 17741 10968 1 19 . 1 1 70 70 LEU CA C 400 54.675 54.675 54.450 0.225 17741 10969 1 19 . 1 1 70 70 LEU CB C 400 43.081 43.081 40.914 2.167 17741 10970 1 19 . 1 1 70 70 LEU H H 400 7.144 7.144 7.665 -0.521 17741 10971 1 19 . 1 1 71 71 ASN N N 401 115.201 115.201 113.424 1.777 17741 10972 1 19 . 1 1 71 71 ASN HA H 401 4.352 4.352 4.379 -0.027 17741 10973 1 19 . 1 1 71 71 ASN C C 401 173.517 173.517 174.950 -1.433 17741 10974 1 19 . 1 1 71 71 ASN CA C 401 54.602 54.602 54.949 -0.346 17741 10975 1 19 . 1 1 71 71 ASN CB C 401 37.381 37.381 36.554 0.827 17741 10976 1 19 . 1 1 71 71 ASN H H 401 8.047 8.047 7.703 0.344 17741 10977 1 19 . 1 1 72 72 ILE N N 402 113.907 113.907 115.282 -1.375 17741 10978 1 19 . 1 1 72 72 ILE HA H 402 4.059 4.059 3.971 0.088 17741 10979 1 19 . 1 1 72 72 ILE C C 402 176.279 176.279 175.568 0.711 17741 10980 1 19 . 1 1 72 72 ILE CA C 402 63.797 63.797 62.842 0.955 17741 10981 1 19 . 1 1 72 72 ILE CB C 402 40.395 40.395 39.556 0.839 17741 10982 1 19 . 1 1 72 72 ILE H H 402 7.986 7.986 8.369 -0.383 17741 10983 1 19 . 1 1 73 73 ILE N N 403 116.766 116.766 116.091 0.675 17741 10984 1 19 . 1 1 73 73 ILE HA H 403 5.042 5.042 4.809 0.233 17741 10985 1 19 . 1 1 73 73 ILE C C 403 173.945 173.945 174.213 -0.268 17741 10986 1 19 . 1 1 73 73 ILE CA C 403 59.247 59.247 59.337 -0.090 17741 10987 1 19 . 1 1 73 73 ILE CB C 403 43.414 43.414 42.213 1.201 17741 10988 1 19 . 1 1 73 73 ILE H H 403 7.042 7.042 7.443 -0.401 17741 10989 1 19 . 1 1 74 74 ARG N N 404 123.256 123.256 122.698 0.558 17741 10990 1 19 . 1 1 74 74 ARG HA H 404 4.751 4.751 4.641 0.110 17741 10991 1 19 . 1 1 74 74 ARG C C 404 174.757 174.757 174.014 0.743 17741 10992 1 19 . 1 1 74 74 ARG CA C 404 54.274 54.274 54.193 0.081 17741 10993 1 19 . 1 1 74 74 ARG CB C 404 34.492 34.492 34.512 -0.020 17741 10994 1 19 . 1 1 74 74 ARG H H 404 8.931 8.931 9.299 -0.368 17741 10995 1 19 . 1 1 75 75 LYS N N 405 125.627 125.627 121.628 3.999 17741 10996 1 19 . 1 1 75 75 LYS HA H 405 4.076 4.076 4.377 -0.301 17741 10997 1 19 . 1 1 75 75 LYS C C 405 176.481 176.481 176.085 0.396 17741 10998 1 19 . 1 1 75 75 LYS CA C 405 56.446 56.446 53.981 2.465 17741 10999 1 19 . 1 1 75 75 LYS CB C 405 32.758 32.758 33.752 -0.994 17741 11000 1 19 . 1 1 75 75 LYS H H 405 8.294 8.294 8.098 0.196 17741 11001 1 19 . 1 1 76 76 GLU N N 406 128.187 128.187 125.602 2.585 17741 11002 1 19 . 1 1 76 76 GLU HA H 406 4.447 4.447 4.494 -0.047 17741 11003 1 19 . 1 1 76 76 GLU C C 406 174.401 174.401 175.066 -0.665 17741 11004 1 19 . 1 1 76 76 GLU CA C 406 53.751 53.751 53.418 0.333 17741 11005 1 19 . 1 1 76 76 GLU CB C 406 29.951 29.951 28.060 1.891 17741 11006 1 19 . 1 1 76 76 GLU H H 406 8.016 8.016 8.299 -0.283 17741 11007 1 19 . 1 1 77 77 PRO HA H 407 4.288 4.288 4.362 -0.074 17741 11008 1 19 . 1 1 77 77 PRO C C 407 177.654 177.654 177.039 0.615 17741 11009 1 19 . 1 1 77 77 PRO CA C 407 63.433 63.433 62.878 0.555 17741 11010 1 19 . 1 1 77 77 PRO CB C 407 32.152 32.152 30.929 1.223 17741 11011 1 19 . 1 1 78 78 GLY N N 408 109.679 109.679 113.447 -3.768 17741 11012 1 19 . 1 1 78 78 GLY C C 408 173.976 173.976 173.864 0.112 17741 11013 1 19 . 1 1 78 78 GLY CA C 408 45.539 45.539 45.055 0.484 17741 11014 1 19 . 1 1 78 78 GLY H H 408 8.514 8.514 8.619 -0.105 17741 11015 1 19 . 1 1 79 79 GLN N N 409 116.897 116.897 118.166 -1.269 17741 11016 1 19 . 1 1 79 79 GLN HA H 409 4.489 4.489 4.514 -0.025 17741 11017 1 19 . 1 1 79 79 GLN C C 409 175.371 175.371 175.114 0.257 17741 11018 1 19 . 1 1 79 79 GLN CA C 409 54.472 54.472 54.421 0.051 17741 11019 1 19 . 1 1 79 79 GLN CB C 409 31.301 31.301 30.625 0.676 17741 11020 1 19 . 1 1 79 79 GLN H H 409 7.572 7.572 8.556 -0.984 17741 11021 1 19 . 1 1 80 80 ARG N N 410 120.458 120.458 119.020 1.438 17741 11022 1 19 . 1 1 80 80 ARG HA H 410 4.275 4.275 4.411 -0.136 17741 11023 1 19 . 1 1 80 80 ARG C C 410 176.227 176.227 177.209 -0.982 17741 11024 1 19 . 1 1 80 80 ARG CA C 410 56.891 56.891 57.152 -0.261 17741 11025 1 19 . 1 1 80 80 ARG CB C 410 31.475 31.475 30.748 0.727 17741 11026 1 19 . 1 1 80 80 ARG H H 410 8.254 8.254 8.416 -0.162 17741 11027 1 19 . 1 1 81 81 LEU N N 411 119.424 119.424 120.066 -0.642 17741 11028 1 19 . 1 1 81 81 LEU HA H 411 4.048 4.048 4.501 -0.453 17741 11029 1 19 . 1 1 81 81 LEU C C 411 173.277 173.277 175.232 -1.955 17741 11030 1 19 . 1 1 81 81 LEU CA C 411 55.111 55.111 53.870 1.240 17741 11031 1 19 . 1 1 81 81 LEU CB C 411 40.298 40.298 41.380 -1.082 17741 11032 1 19 . 1 1 81 81 LEU H H 411 8.467 8.467 7.997 0.470 17741 11033 1 19 . 1 1 82 82 LEU N N 412 119.126 119.126 121.751 -2.625 17741 11034 1 19 . 1 1 82 82 LEU HA H 412 5.036 5.036 4.692 0.344 17741 11035 1 19 . 1 1 82 82 LEU C C 412 175.323 175.323 174.703 0.620 17741 11036 1 19 . 1 1 82 82 LEU CA C 412 53.175 53.175 53.590 -0.415 17741 11037 1 19 . 1 1 82 82 LEU CB C 412 45.482 45.482 43.019 2.463 17741 11038 1 19 . 1 1 82 82 LEU H H 412 6.769 6.769 7.161 -0.392 17741 11039 1 19 . 1 1 83 83 PHE N N 413 122.107 122.107 123.325 -1.218 17741 11040 1 19 . 1 1 83 83 PHE HA H 413 4.848 4.848 4.846 0.002 17741 11041 1 19 . 1 1 83 83 PHE C C 413 172.764 172.764 173.546 -0.782 17741 11042 1 19 . 1 1 83 83 PHE CA C 413 55.848 55.848 56.305 -0.457 17741 11043 1 19 . 1 1 83 83 PHE CB C 413 44.675 44.675 43.034 1.641 17741 11044 1 19 . 1 1 83 83 PHE H H 413 8.648 8.648 9.019 -0.371 17741 11045 1 19 . 1 1 84 84 ARG N N 414 119.466 119.466 121.663 -2.197 17741 11046 1 19 . 1 1 84 84 ARG HA H 414 5.578 5.578 5.225 0.353 17741 11047 1 19 . 1 1 84 84 ARG C C 414 177.476 177.476 175.103 2.373 17741 11048 1 19 . 1 1 84 84 ARG CA C 414 54.198 54.198 54.126 0.072 17741 11049 1 19 . 1 1 84 84 ARG CB C 414 36.128 36.128 33.198 2.930 17741 11050 1 19 . 1 1 84 84 ARG H H 414 9.117 9.117 9.030 0.087 17741 11051 1 19 . 1 1 85 85 PHE N N 415 124.357 124.357 128.330 -3.973 17741 11052 1 19 . 1 1 85 85 PHE HA H 415 5.037 5.037 4.842 0.195 17741 11053 1 19 . 1 1 85 85 PHE C C 415 176.084 176.084 176.485 -0.401 17741 11054 1 19 . 1 1 85 85 PHE CA C 415 59.719 59.719 59.686 0.033 17741 11055 1 19 . 1 1 85 85 PHE CB C 415 40.812 40.812 39.144 1.668 17741 11056 1 19 . 1 1 85 85 PHE H H 415 8.984 8.984 9.627 -0.643 17741 11057 1 19 . 1 1 86 86 MET N N 416 121.301 121.301 124.964 -3.663 17741 11058 1 19 . 1 1 86 86 MET HA H 416 4.670 4.670 4.198 0.472 17741 11059 1 19 . 1 1 86 86 MET C C 416 176.543 176.543 176.419 0.124 17741 11060 1 19 . 1 1 86 86 MET CA C 416 54.863 54.863 58.573 -3.710 17741 11061 1 19 . 1 1 86 86 MET CB C 416 31.711 31.711 33.100 -1.389 17741 11062 1 19 . 1 1 86 86 MET H H 416 8.671 8.671 8.603 0.068 17741 11063 1 19 . 1 1 87 87 LYS N N 417 117.759 117.759 116.181 1.578 17741 11064 1 19 . 1 1 87 87 LYS HA H 417 4.856 4.856 4.692 0.164 17741 11065 1 19 . 1 1 87 87 LYS C C 417 175.445 175.445 175.054 0.391 17741 11066 1 19 . 1 1 87 87 LYS CA C 417 54.550 54.550 54.775 -0.225 17741 11067 1 19 . 1 1 87 87 LYS CB C 417 37.828 37.828 36.338 1.490 17741 11068 1 19 . 1 1 87 87 LYS H H 417 7.656 7.656 7.606 0.050 17741 11069 1 19 . 1 1 88 88 THR N N 418 112.506 112.506 113.148 -0.642 17741 11070 1 19 . 1 1 88 88 THR HA H 418 4.372 4.372 5.093 -0.721 17741 11071 1 19 . 1 1 88 88 THR C C 418 173.594 173.594 174.112 -0.518 17741 11072 1 19 . 1 1 88 88 THR CA C 418 59.640 59.640 58.717 0.923 17741 11073 1 19 . 1 1 88 88 THR CB C 418 68.065 68.065 68.708 -0.643 17741 11074 1 19 . 1 1 88 88 THR H H 418 8.685 8.685 8.608 0.077 17741 11075 1 19 . 1 1 89 89 PRO HA H 419 3.748 3.748 3.830 -0.082 17741 11076 1 19 . 1 1 89 89 PRO C C 419 177.219 177.219 178.570 -1.351 17741 11077 1 19 . 1 1 89 89 PRO CA C 419 65.592 65.592 66.653 -1.061 17741 11078 1 19 . 1 1 89 89 PRO CB C 419 31.739 31.739 31.786 -0.047 17741 11079 1 19 . 1 1 90 90 ASP N N 420 114.631 114.631 115.028 -0.397 17741 11080 1 19 . 1 1 90 90 ASP HA H 420 4.265 4.265 4.403 -0.138 17741 11081 1 19 . 1 1 90 90 ASP C C 420 177.962 177.962 177.378 0.584 17741 11082 1 19 . 1 1 90 90 ASP CA C 420 56.371 56.371 56.971 -0.600 17741 11083 1 19 . 1 1 90 90 ASP CB C 420 40.662 40.662 40.689 -0.027 17741 11084 1 19 . 1 1 90 90 ASP H H 420 7.962 7.962 8.623 -0.661 17741 11085 1 19 . 1 1 91 91 GLU N N 421 119.501 119.501 118.102 1.399 17741 11086 1 19 . 1 1 91 91 GLU HA H 421 4.043 4.043 4.076 -0.033 17741 11087 1 19 . 1 1 91 91 GLU C C 421 178.599 178.599 179.011 -0.412 17741 11088 1 19 . 1 1 91 91 GLU CA C 421 58.113 58.113 58.559 -0.446 17741 11089 1 19 . 1 1 91 91 GLU CB C 421 30.721 30.721 29.921 0.800 17741 11090 1 19 . 1 1 91 91 GLU H H 421 7.661 7.661 7.692 -0.031 17741 11091 1 19 . 1 1 92 92 ILE N N 422 120.594 120.594 120.489 0.105 17741 11092 1 19 . 1 1 92 92 ILE HA H 422 3.641 3.641 3.607 0.034 17741 11093 1 19 . 1 1 92 92 ILE C C 422 177.752 177.752 178.115 -0.363 17741 11094 1 19 . 1 1 92 92 ILE CA C 422 62.931 62.931 65.325 -2.394 17741 11095 1 19 . 1 1 92 92 ILE CB C 422 38.185 38.185 37.803 0.382 17741 11096 1 19 . 1 1 92 92 ILE H H 422 7.861 7.861 8.223 -0.362 17741 11097 1 19 . 1 1 93 93 MET N N 423 119.187 119.187 115.636 3.551 17741 11098 1 19 . 1 1 93 93 MET HA H 423 4.391 4.391 4.351 0.040 17741 11099 1 19 . 1 1 93 93 MET C C 423 176.982 176.982 176.912 0.070 17741 11100 1 19 . 1 1 93 93 MET CA C 423 56.491 56.491 57.056 -0.565 17741 11101 1 19 . 1 1 93 93 MET CB C 423 32.584 32.584 32.072 0.512 17741 11102 1 19 . 1 1 93 93 MET H H 423 8.158 8.158 8.368 -0.210 17741 11103 1 19 . 1 1 94 94 SER N N 424 114.933 114.933 113.565 1.368 17741 11104 1 19 . 1 1 94 94 SER HA H 424 4.394 4.394 4.315 0.079 17741 11105 1 19 . 1 1 94 94 SER C C 424 175.238 175.238 174.615 0.623 17741 11106 1 19 . 1 1 94 94 SER CA C 424 59.423 59.423 58.568 0.855 17741 11107 1 19 . 1 1 94 94 SER CB C 424 63.695 63.695 63.062 0.633 17741 11108 1 19 . 1 1 94 94 SER H H 424 7.854 7.854 7.440 0.414 17741 11109 1 19 . 1 1 95 95 GLY N N 425 110.045 110.045 108.218 1.827 17741 11110 1 19 . 1 1 95 95 GLY C C 425 174.194 174.194 176.399 -2.205 17741 11111 1 19 . 1 1 95 95 GLY CA C 425 45.432 45.432 45.346 0.086 17741 11112 1 19 . 1 1 95 95 GLY H H 425 8.061 8.061 7.477 0.584 17741 11113 1 19 . 1 1 96 96 ARG N N 426 119.987 119.987 123.185 -3.198 17741 11114 1 19 . 1 1 96 96 ARG HA H 426 4.475 4.475 4.087 0.388 17741 11115 1 19 . 1 1 96 96 ARG C C 426 177.308 177.308 177.729 -0.421 17741 11116 1 19 . 1 1 96 96 ARG CA C 426 56.195 56.195 58.801 -2.606 17741 11117 1 19 . 1 1 96 96 ARG CB C 426 30.354 30.354 30.325 0.029 17741 11118 1 19 . 1 1 96 96 ARG H H 426 8.092 8.092 8.119 -0.027 17741 11119 1 19 . 1 1 97 97 THR N N 427 114.398 114.398 111.125 3.273 17741 11120 1 19 . 1 1 97 97 THR HA H 427 4.298 4.298 4.537 -0.239 17741 11121 1 19 . 1 1 97 97 THR C C 427 174.913 174.913 174.541 0.372 17741 11122 1 19 . 1 1 97 97 THR CA C 427 62.673 62.673 60.898 1.775 17741 11123 1 19 . 1 1 97 97 THR CB C 427 69.473 69.473 68.750 0.723 17741 11124 1 19 . 1 1 97 97 THR H H 427 8.319 8.319 7.623 0.696 17741 11125 1 19 . 1 1 98 98 ASP N N 428 121.983 121.983 123.003 -1.020 17741 11126 1 19 . 1 1 98 98 ASP HA H 428 4.508 4.508 4.531 -0.023 17741 11127 1 19 . 1 1 98 98 ASP C C 428 176.956 176.956 177.416 -0.460 17741 11128 1 19 . 1 1 98 98 ASP CA C 428 55.433 55.433 57.363 -1.930 17741 11129 1 19 . 1 1 98 98 ASP CB C 428 40.746 40.746 41.324 -0.578 17741 11130 1 19 . 1 1 98 98 ASP H H 428 8.488 8.488 7.948 0.540 17741 11131 1 19 . 1 1 99 99 ARG N N 429 119.821 119.821 117.375 2.446 17741 11132 1 19 . 1 1 99 99 ARG HA H 429 4.277 4.277 4.230 0.047 17741 11133 1 19 . 1 1 99 99 ARG C C 429 177.078 177.078 179.103 -2.025 17741 11134 1 19 . 1 1 99 99 ARG CA C 429 56.984 56.984 58.106 -1.122 17741 11135 1 19 . 1 1 99 99 ARG CB C 429 30.224 30.224 30.165 0.059 17741 11136 1 19 . 1 1 99 99 ARG H H 429 8.088 8.088 7.827 0.261 17741 11137 1 19 . 1 1 100 100 LEU N N 430 120.887 120.887 121.771 -0.884 17741 11138 1 19 . 1 1 100 100 LEU HA H 430 4.176 4.176 4.228 -0.052 17741 11139 1 19 . 1 1 100 100 LEU C C 430 177.732 177.732 178.406 -0.674 17741 11140 1 19 . 1 1 100 100 LEU CA C 430 56.324 56.324 58.031 -1.707 17741 11141 1 19 . 1 1 100 100 LEU CB C 430 42.262 42.262 42.027 0.235 17741 11142 1 19 . 1 1 100 100 LEU H H 430 7.945 7.945 7.992 -0.047 17741 11143 1 19 . 1 1 101 101 GLU N N 431 119.799 119.799 116.551 3.248 17741 11144 1 19 . 1 1 101 101 GLU HA H 431 4.082 4.082 4.057 0.025 17741 11145 1 19 . 1 1 101 101 GLU C C 431 177.281 177.281 178.072 -0.791 17741 11146 1 19 . 1 1 101 101 GLU CA C 431 58.011 58.011 58.833 -0.822 17741 11147 1 19 . 1 1 101 101 GLU CB C 431 30.191 30.191 29.343 0.848 17741 11148 1 19 . 1 1 101 101 GLU H H 431 8.268 8.268 7.950 0.318 17741 11149 1 19 . 1 1 102 102 HIS N N 432 118.048 118.048 116.283 1.765 17741 11150 1 19 . 1 1 102 102 HIS HA H 432 4.584 4.584 4.502 0.082 17741 11151 1 19 . 1 1 102 102 HIS C C 432 175.678 175.678 177.696 -2.018 17741 11152 1 19 . 1 1 102 102 HIS CA C 432 56.571 56.571 58.567 -1.996 17741 11153 1 19 . 1 1 102 102 HIS CB C 432 29.352 29.352 30.784 -1.432 17741 11154 1 19 . 1 1 102 102 HIS H H 432 8.166 8.166 7.850 0.316 17741 11155 1 19 . 1 1 103 103 LEU N N 433 122.228 122.228 119.343 2.885 17741 11156 1 19 . 1 1 103 103 LEU HA H 433 4.176 4.176 4.339 -0.163 17741 11157 1 19 . 1 1 103 103 LEU C C 433 177.904 177.904 178.522 -0.618 17741 11158 1 19 . 1 1 103 103 LEU CA C 433 56.237 56.237 57.733 -1.496 17741 11159 1 19 . 1 1 103 103 LEU CB C 433 42.305 42.305 41.930 0.375 17741 11160 1 19 . 1 1 103 103 LEU H H 433 8.072 8.072 7.684 0.388 17741 11161 1 19 . 1 1 104 104 GLU N N 434 119.413 119.413 115.626 3.787 17741 11162 1 19 . 1 1 104 104 GLU HA H 434 4.309 4.309 4.353 -0.044 17741 11163 1 19 . 1 1 104 104 GLU C C 434 176.560 176.560 176.287 0.273 17741 11164 1 19 . 1 1 104 104 GLU CA C 434 57.098 57.098 56.659 0.439 17741 11165 1 19 . 1 1 104 104 GLU CB C 434 30.301 30.301 29.066 1.235 17741 11166 1 19 . 1 1 104 104 GLU H H 434 8.331 8.331 7.992 0.339 17741 11167 1 19 . 1 1 105 105 SER N N 435 115.859 115.859 113.283 2.576 17741 11168 1 19 . 1 1 105 105 SER HA H 435 4.443 4.443 4.523 -0.080 17741 11169 1 19 . 1 1 105 105 SER C C 435 173.630 173.630 175.213 -1.583 17741 11170 1 19 . 1 1 105 105 SER CA C 435 58.591 58.591 58.431 0.161 17741 11171 1 19 . 1 1 105 105 SER CB C 435 64.066 64.066 64.444 -0.377 17741 11172 1 19 . 1 1 105 105 SER H H 435 7.976 7.976 7.639 0.337 17741 11173 1 20 . 1 1 5 5 ARG N N 335 123.531 123.531 121.578 1.953 17741 11174 1 20 . 1 1 5 5 ARG HA H 335 4.411 4.411 4.369 0.042 17741 11175 1 20 . 1 1 5 5 ARG C C 335 176.473 176.473 176.751 -0.278 17741 11176 1 20 . 1 1 5 5 ARG CA C 335 56.571 56.571 55.782 0.789 17741 11177 1 20 . 1 1 5 5 ARG CB C 335 31.352 31.352 30.543 0.809 17741 11178 1 20 . 1 1 5 5 ARG H H 335 9.347 9.347 8.510 0.837 17741 11179 1 20 . 1 1 6 6 LEU N N 336 121.545 121.545 123.981 -2.436 17741 11180 1 20 . 1 1 6 6 LEU HA H 336 4.293 4.293 4.217 0.076 17741 11181 1 20 . 1 1 6 6 LEU C C 336 178.837 178.837 178.045 0.792 17741 11182 1 20 . 1 1 6 6 LEU CA C 336 54.652 54.652 55.553 -0.901 17741 11183 1 20 . 1 1 6 6 LEU CB C 336 43.365 43.365 41.790 1.575 17741 11184 1 20 . 1 1 6 6 LEU H H 336 8.556 8.556 8.592 -0.036 17741 11185 1 20 . 1 1 7 7 LEU HA H 337 3.441 3.441 3.020 0.421 17741 11186 1 20 . 1 1 7 7 LEU C C 337 177.908 177.908 178.443 -0.535 17741 11187 1 20 . 1 1 7 7 LEU CA C 337 58.771 58.771 58.430 0.341 17741 11188 1 20 . 1 1 7 7 LEU CB C 337 40.192 40.192 41.602 -1.410 17741 11189 1 20 . 1 1 8 8 TRP N N 338 114.624 114.624 117.324 -2.700 17741 11190 1 20 . 1 1 8 8 TRP HA H 338 3.785 3.785 4.287 -0.502 17741 11191 1 20 . 1 1 8 8 TRP C C 338 175.318 175.318 177.734 -2.416 17741 11192 1 20 . 1 1 8 8 TRP CA C 338 59.891 59.891 59.970 -0.079 17741 11193 1 20 . 1 1 8 8 TRP CB C 338 28.359 28.359 27.864 0.495 17741 11194 1 20 . 1 1 8 8 TRP H H 338 7.515 7.515 8.018 -0.503 17741 11195 1 20 . 1 1 9 9 ASP HA H 339 3.813 3.813 4.209 -0.396 17741 11196 1 20 . 1 1 9 9 ASP C C 339 177.355 177.355 178.003 -0.648 17741 11197 1 20 . 1 1 9 9 ASP CA C 339 56.291 56.291 56.702 -0.411 17741 11198 1 20 . 1 1 9 9 ASP CB C 339 41.591 41.591 40.234 1.357 17741 11199 1 20 . 1 1 10 10 TYR N N 340 120.906 120.906 120.167 0.739 17741 11200 1 20 . 1 1 10 10 TYR HA H 340 3.897 3.897 4.071 -0.174 17741 11201 1 20 . 1 1 10 10 TYR C C 340 177.011 177.011 177.288 -0.277 17741 11202 1 20 . 1 1 10 10 TYR CA C 340 61.913 61.913 60.826 1.087 17741 11203 1 20 . 1 1 10 10 TYR CB C 340 39.482 39.482 38.794 0.688 17741 11204 1 20 . 1 1 10 10 TYR H H 340 8.005 8.005 8.042 -0.037 17741 11205 1 20 . 1 1 11 11 VAL N N 341 115.016 115.016 118.302 -3.286 17741 11206 1 20 . 1 1 11 11 VAL HA H 341 2.992 2.992 3.129 -0.137 17741 11207 1 20 . 1 1 11 11 VAL C C 341 176.751 176.751 177.100 -0.349 17741 11208 1 20 . 1 1 11 11 VAL CA C 341 66.910 66.910 66.421 0.489 17741 11209 1 20 . 1 1 11 11 VAL CB C 341 30.968 30.968 30.917 0.051 17741 11210 1 20 . 1 1 11 11 VAL H H 341 8.287 8.287 8.010 0.277 17741 11211 1 20 . 1 1 12 12 TYR N N 342 119.030 119.030 119.637 -0.607 17741 11212 1 20 . 1 1 12 12 TYR HA H 342 3.641 3.641 3.891 -0.250 17741 11213 1 20 . 1 1 12 12 TYR C C 342 178.659 178.659 177.920 0.739 17741 11214 1 20 . 1 1 12 12 TYR CA C 342 63.010 63.010 62.304 0.706 17741 11215 1 20 . 1 1 12 12 TYR CB C 342 38.212 38.212 37.532 0.680 17741 11216 1 20 . 1 1 12 12 TYR H H 342 7.673 7.673 8.046 -0.373 17741 11217 1 20 . 1 1 13 13 GLN N N 343 119.113 119.113 119.133 -0.020 17741 11218 1 20 . 1 1 13 13 GLN HA H 343 3.828 3.828 4.124 -0.296 17741 11219 1 20 . 1 1 13 13 GLN C C 343 179.955 179.955 177.960 1.995 17741 11220 1 20 . 1 1 13 13 GLN CA C 343 58.871 58.871 58.518 0.353 17741 11221 1 20 . 1 1 13 13 GLN CB C 343 27.514 27.514 27.869 -0.355 17741 11222 1 20 . 1 1 13 13 GLN H H 343 8.161 8.161 7.679 0.482 17741 11223 1 20 . 1 1 14 14 LEU N N 344 121.401 121.401 119.719 1.682 17741 11224 1 20 . 1 1 14 14 LEU HA H 344 3.611 3.611 4.070 -0.459 17741 11225 1 20 . 1 1 14 14 LEU C C 344 179.789 179.789 178.666 1.123 17741 11226 1 20 . 1 1 14 14 LEU CA C 344 58.043 58.043 56.860 1.183 17741 11227 1 20 . 1 1 14 14 LEU CB C 344 41.598 41.598 41.340 0.258 17741 11228 1 20 . 1 1 14 14 LEU H H 344 7.825 7.825 7.445 0.380 17741 11229 1 20 . 1 1 15 15 LEU N N 345 116.853 116.853 117.205 -0.352 17741 11230 1 20 . 1 1 15 15 LEU HA H 345 3.504 3.504 3.807 -0.303 17741 11231 1 20 . 1 1 15 15 LEU C C 345 178.149 178.149 179.343 -1.194 17741 11232 1 20 . 1 1 15 15 LEU CA C 345 56.473 56.473 56.552 -0.079 17741 11233 1 20 . 1 1 15 15 LEU CB C 345 41.322 41.322 40.580 0.742 17741 11234 1 20 . 1 1 15 15 LEU H H 345 7.503 7.503 8.199 -0.696 17741 11235 1 20 . 1 1 16 16 SER N N 346 112.491 112.491 112.485 0.006 17741 11236 1 20 . 1 1 16 16 SER HA H 346 4.522 4.522 4.558 -0.036 17741 11237 1 20 . 1 1 16 16 SER C C 346 172.441 172.441 174.761 -2.320 17741 11238 1 20 . 1 1 16 16 SER CA C 346 58.859 58.859 59.889 -1.030 17741 11239 1 20 . 1 1 16 16 SER CB C 346 63.987 63.987 64.159 -0.172 17741 11240 1 20 . 1 1 16 16 SER H H 346 7.277 7.277 7.467 -0.190 17741 11241 1 20 . 1 1 17 17 ASP N N 347 122.161 122.161 120.948 1.213 17741 11242 1 20 . 1 1 17 17 ASP HA H 347 4.966 4.966 4.825 0.141 17741 11243 1 20 . 1 1 17 17 ASP C C 347 175.692 175.692 176.733 -1.041 17741 11244 1 20 . 1 1 17 17 ASP CA C 347 52.805 52.805 54.135 -1.330 17741 11245 1 20 . 1 1 17 17 ASP CB C 347 43.392 43.392 42.601 0.791 17741 11246 1 20 . 1 1 17 17 ASP H H 347 7.345 7.345 7.933 -0.588 17741 11247 1 20 . 1 1 18 18 SER N N 348 120.164 120.164 122.587 -2.423 17741 11248 1 20 . 1 1 18 18 SER HA H 348 4.356 4.356 4.275 0.081 17741 11249 1 20 . 1 1 18 18 SER C C 348 176.200 176.200 176.069 0.131 17741 11250 1 20 . 1 1 18 18 SER CA C 348 61.207 61.207 59.854 1.353 17741 11251 1 20 . 1 1 18 18 SER CB C 348 63.226 63.226 63.211 0.016 17741 11252 1 20 . 1 1 18 18 SER H H 348 8.686 8.686 8.816 -0.130 17741 11253 1 20 . 1 1 19 19 ARG N N 349 122.701 122.701 120.922 1.779 17741 11254 1 20 . 1 1 19 19 ARG HA H 349 4.105 4.105 3.981 0.124 17741 11255 1 20 . 1 1 19 19 ARG C C 349 178.120 178.120 176.637 1.483 17741 11256 1 20 . 1 1 19 19 ARG CA C 349 58.604 58.604 57.937 0.667 17741 11257 1 20 . 1 1 19 19 ARG CB C 349 29.854 29.854 29.481 0.373 17741 11258 1 20 . 1 1 19 19 ARG H H 349 8.597 8.597 7.803 0.794 17741 11259 1 20 . 1 1 20 20 TYR N N 350 116.257 116.257 116.679 -0.422 17741 11260 1 20 . 1 1 20 20 TYR HA H 350 4.884 4.884 4.721 0.163 17741 11261 1 20 . 1 1 20 20 TYR C C 350 176.977 176.977 175.972 1.005 17741 11262 1 20 . 1 1 20 20 TYR CA C 350 58.758 58.758 56.797 1.961 17741 11263 1 20 . 1 1 20 20 TYR CB C 350 37.602 37.602 38.213 -0.611 17741 11264 1 20 . 1 1 20 20 TYR H H 350 8.285 8.285 7.635 0.650 17741 11265 1 20 . 1 1 21 21 GLU N N 351 120.807 120.807 121.937 -1.130 17741 11266 1 20 . 1 1 21 21 GLU HA H 351 4.454 4.454 4.298 0.156 17741 11267 1 20 . 1 1 21 21 GLU C C 351 176.277 176.277 177.936 -1.659 17741 11268 1 20 . 1 1 21 21 GLU CA C 351 59.135 59.135 58.886 0.249 17741 11269 1 20 . 1 1 21 21 GLU CB C 351 29.674 29.674 28.887 0.787 17741 11270 1 20 . 1 1 21 21 GLU H H 351 7.527 7.527 7.540 -0.013 17741 11271 1 20 . 1 1 22 22 ASN N N 352 114.501 114.501 116.524 -2.023 17741 11272 1 20 . 1 1 22 22 ASN HA H 352 4.471 4.471 4.534 -0.063 17741 11273 1 20 . 1 1 22 22 ASN C C 352 174.426 174.426 175.797 -1.371 17741 11274 1 20 . 1 1 22 22 ASN CA C 352 54.002 54.002 54.516 -0.513 17741 11275 1 20 . 1 1 22 22 ASN CB C 352 36.943 36.943 38.512 -1.569 17741 11276 1 20 . 1 1 22 22 ASN H H 352 8.647 8.647 8.138 0.509 17741 11277 1 20 . 1 1 23 23 PHE N N 353 115.528 115.528 115.907 -0.379 17741 11278 1 20 . 1 1 23 23 PHE HA H 353 4.751 4.751 4.801 -0.050 17741 11279 1 20 . 1 1 23 23 PHE C C 353 176.374 176.374 175.555 0.819 17741 11280 1 20 . 1 1 23 23 PHE CA C 353 59.617 59.617 58.256 1.361 17741 11281 1 20 . 1 1 23 23 PHE CB C 353 41.431 41.431 41.211 0.220 17741 11282 1 20 . 1 1 23 23 PHE H H 353 8.578 8.578 7.805 0.773 17741 11283 1 20 . 1 1 24 24 ILE N N 354 120.520 120.520 118.632 1.888 17741 11284 1 20 . 1 1 24 24 ILE HA H 354 5.063 5.063 4.999 0.064 17741 11285 1 20 . 1 1 24 24 ILE C C 354 170.331 170.331 172.924 -2.593 17741 11286 1 20 . 1 1 24 24 ILE CA C 354 59.835 59.835 60.701 -0.866 17741 11287 1 20 . 1 1 24 24 ILE CB C 354 40.605 40.605 41.673 -1.068 17741 11288 1 20 . 1 1 24 24 ILE H H 354 8.436 8.436 8.397 0.039 17741 11289 1 20 . 1 1 25 25 ARG N N 355 121.401 121.401 120.016 1.385 17741 11290 1 20 . 1 1 25 25 ARG HA H 355 4.916 4.916 4.769 0.147 17741 11291 1 20 . 1 1 25 25 ARG C C 355 175.099 175.099 174.266 0.833 17741 11292 1 20 . 1 1 25 25 ARG CA C 355 54.461 54.461 55.027 -0.566 17741 11293 1 20 . 1 1 25 25 ARG CB C 355 33.662 33.662 33.007 0.655 17741 11294 1 20 . 1 1 25 25 ARG H H 355 8.668 8.668 8.677 -0.009 17741 11295 1 20 . 1 1 26 26 TRP N N 356 122.022 122.022 123.225 -1.203 17741 11296 1 20 . 1 1 26 26 TRP HA H 356 4.894 4.894 4.838 0.056 17741 11297 1 20 . 1 1 26 26 TRP C C 356 176.606 176.606 176.979 -0.373 17741 11298 1 20 . 1 1 26 26 TRP CA C 356 57.835 57.835 57.986 -0.151 17741 11299 1 20 . 1 1 26 26 TRP CB C 356 30.564 30.564 29.665 0.899 17741 11300 1 20 . 1 1 26 26 TRP H H 356 9.149 9.149 8.973 0.176 17741 11301 1 20 . 1 1 27 27 GLU N N 357 125.415 125.415 124.474 0.941 17741 11302 1 20 . 1 1 27 27 GLU HA H 357 4.686 4.686 4.478 0.208 17741 11303 1 20 . 1 1 27 27 GLU C C 357 176.709 176.709 176.123 0.586 17741 11304 1 20 . 1 1 27 27 GLU CA C 357 56.939 56.939 58.055 -1.116 17741 11305 1 20 . 1 1 27 27 GLU CB C 357 31.545 31.545 31.281 0.264 17741 11306 1 20 . 1 1 27 27 GLU H H 357 9.524 9.524 8.908 0.616 17741 11307 1 20 . 1 1 28 28 ASP N N 358 116.214 116.214 119.436 -3.222 17741 11308 1 20 . 1 1 28 28 ASP HA H 358 4.759 4.759 4.857 -0.098 17741 11309 1 20 . 1 1 28 28 ASP C C 358 176.124 176.124 175.581 0.543 17741 11310 1 20 . 1 1 28 28 ASP CA C 358 53.481 53.481 53.788 -0.307 17741 11311 1 20 . 1 1 28 28 ASP CB C 358 41.921 41.921 42.319 -0.398 17741 11312 1 20 . 1 1 28 28 ASP H H 358 7.828 7.828 8.275 -0.447 17741 11313 1 20 . 1 1 29 29 LYS N N 359 127.750 127.750 124.736 3.014 17741 11314 1 20 . 1 1 29 29 LYS HA H 359 3.162 3.162 2.856 0.306 17741 11315 1 20 . 1 1 29 29 LYS C C 359 178.683 178.683 177.428 1.255 17741 11316 1 20 . 1 1 29 29 LYS CA C 359 60.173 60.173 59.131 1.042 17741 11317 1 20 . 1 1 29 29 LYS CB C 359 32.728 32.728 32.113 0.615 17741 11318 1 20 . 1 1 29 29 LYS H H 359 9.221 9.221 8.507 0.714 17741 11319 1 20 . 1 1 30 30 GLU N N 360 119.608 119.608 116.996 2.612 17741 11320 1 20 . 1 1 30 30 GLU HA H 360 3.923 3.923 4.045 -0.122 17741 11321 1 20 . 1 1 30 30 GLU C C 360 178.598 178.598 177.897 0.701 17741 11322 1 20 . 1 1 30 30 GLU CA C 360 59.512 59.512 58.442 1.070 17741 11323 1 20 . 1 1 30 30 GLU CB C 360 29.188 29.188 28.836 0.352 17741 11324 1 20 . 1 1 30 30 GLU H H 360 8.343 8.343 8.603 -0.260 17741 11325 1 20 . 1 1 31 31 SER N N 361 113.313 113.313 113.094 0.219 17741 11326 1 20 . 1 1 31 31 SER HA H 361 4.485 4.485 4.469 0.016 17741 11327 1 20 . 1 1 31 31 SER C C 361 172.284 172.284 173.119 -0.835 17741 11328 1 20 . 1 1 31 31 SER CA C 361 58.745 58.745 58.664 0.081 17741 11329 1 20 . 1 1 31 31 SER CB C 361 63.728 63.728 63.431 0.297 17741 11330 1 20 . 1 1 31 31 SER H H 361 7.466 7.466 7.640 -0.174 17741 11331 1 20 . 1 1 32 32 LYS N N 362 115.197 115.197 117.430 -2.233 17741 11332 1 20 . 1 1 32 32 LYS HA H 362 3.894 3.894 3.865 0.029 17741 11333 1 20 . 1 1 32 32 LYS C C 362 175.489 175.489 175.437 0.052 17741 11334 1 20 . 1 1 32 32 LYS CA C 362 57.641 57.641 57.403 0.238 17741 11335 1 20 . 1 1 32 32 LYS CB C 362 29.811 29.811 30.001 -0.190 17741 11336 1 20 . 1 1 32 32 LYS H H 362 7.741 7.741 7.577 0.164 17741 11337 1 20 . 1 1 33 33 ILE N N 363 118.359 118.359 119.646 -1.287 17741 11338 1 20 . 1 1 33 33 ILE HA H 363 5.356 5.356 5.063 0.293 17741 11339 1 20 . 1 1 33 33 ILE C C 363 177.019 177.019 175.712 1.307 17741 11340 1 20 . 1 1 33 33 ILE CA C 363 60.455 60.455 61.125 -0.670 17741 11341 1 20 . 1 1 33 33 ILE CB C 363 40.081 40.081 39.431 0.650 17741 11342 1 20 . 1 1 33 33 ILE H H 363 8.268 8.268 8.341 -0.073 17741 11343 1 20 . 1 1 34 34 PHE N N 364 128.287 128.287 125.668 2.619 17741 11344 1 20 . 1 1 34 34 PHE HA H 364 5.576 5.576 5.657 -0.081 17741 11345 1 20 . 1 1 34 34 PHE C C 364 170.447 170.447 172.894 -2.447 17741 11346 1 20 . 1 1 34 34 PHE CA C 364 55.128 55.128 55.379 -0.251 17741 11347 1 20 . 1 1 34 34 PHE CB C 364 44.010 44.010 42.925 1.085 17741 11348 1 20 . 1 1 34 34 PHE H H 364 9.962 9.962 9.384 0.578 17741 11349 1 20 . 1 1 35 35 ARG N N 365 120.900 120.900 121.760 -0.860 17741 11350 1 20 . 1 1 35 35 ARG HA H 365 5.486 5.486 5.203 0.283 17741 11351 1 20 . 1 1 35 35 ARG C C 365 176.462 176.462 175.472 0.990 17741 11352 1 20 . 1 1 35 35 ARG CA C 365 53.609 53.609 53.753 -0.144 17741 11353 1 20 . 1 1 35 35 ARG CB C 365 36.518 36.518 33.283 3.235 17741 11354 1 20 . 1 1 35 35 ARG H H 365 9.427 9.427 9.400 0.027 17741 11355 1 20 . 1 1 36 36 ILE N N 366 125.534 125.534 128.579 -3.045 17741 11356 1 20 . 1 1 36 36 ILE HA H 366 4.209 4.209 4.153 0.056 17741 11357 1 20 . 1 1 36 36 ILE C C 366 173.899 173.899 174.987 -1.088 17741 11358 1 20 . 1 1 36 36 ILE CA C 366 63.033 63.033 63.050 -0.017 17741 11359 1 20 . 1 1 36 36 ILE CB C 366 37.889 37.889 37.770 0.119 17741 11360 1 20 . 1 1 36 36 ILE H H 366 8.643 8.643 9.100 -0.457 17741 11361 1 20 . 1 1 37 37 VAL N N 367 129.194 129.194 127.804 1.390 17741 11362 1 20 . 1 1 37 37 VAL HA H 367 3.679 3.679 4.003 -0.324 17741 11363 1 20 . 1 1 37 37 VAL C C 367 175.919 175.919 176.183 -0.264 17741 11364 1 20 . 1 1 37 37 VAL CA C 367 64.068 64.068 64.573 -0.505 17741 11365 1 20 . 1 1 37 37 VAL CB C 367 32.884 32.884 32.486 0.398 17741 11366 1 20 . 1 1 37 37 VAL H H 367 7.841 7.841 8.441 -0.600 17741 11367 1 20 . 1 1 38 38 ASP N N 368 114.969 114.969 118.006 -3.037 17741 11368 1 20 . 1 1 38 38 ASP HA H 368 5.222 5.222 5.066 0.156 17741 11369 1 20 . 1 1 38 38 ASP C C 368 173.227 173.227 174.637 -1.410 17741 11370 1 20 . 1 1 38 38 ASP CA C 368 50.238 50.238 50.989 -0.751 17741 11371 1 20 . 1 1 38 38 ASP CB C 368 42.181 42.181 41.765 0.416 17741 11372 1 20 . 1 1 38 38 ASP H H 368 7.316 7.316 7.995 -0.679 17741 11373 1 20 . 1 1 39 39 PRO HA H 369 3.809 3.809 4.139 -0.330 17741 11374 1 20 . 1 1 39 39 PRO C C 369 177.958 177.958 178.559 -0.601 17741 11375 1 20 . 1 1 39 39 PRO CA C 369 65.612 65.612 64.970 0.642 17741 11376 1 20 . 1 1 39 39 PRO CB C 369 31.068 31.068 31.980 -0.912 17741 11377 1 20 . 1 1 40 40 ASN N N 370 115.480 115.480 117.688 -2.208 17741 11378 1 20 . 1 1 40 40 ASN HA H 370 4.604 4.604 4.494 0.110 17741 11379 1 20 . 1 1 40 40 ASN C C 370 178.566 178.566 177.782 0.784 17741 11380 1 20 . 1 1 40 40 ASN CA C 370 56.471 56.471 56.504 -0.033 17741 11381 1 20 . 1 1 40 40 ASN CB C 370 38.068 38.068 38.331 -0.263 17741 11382 1 20 . 1 1 40 40 ASN H H 370 8.094 8.094 8.123 -0.029 17741 11383 1 20 . 1 1 41 41 GLY N N 371 111.371 111.371 107.912 3.459 17741 11384 1 20 . 1 1 41 41 GLY C C 371 176.018 176.018 175.667 0.351 17741 11385 1 20 . 1 1 41 41 GLY CA C 371 47.862 47.862 46.222 1.640 17741 11386 1 20 . 1 1 41 41 GLY H H 371 8.632 8.632 8.757 -0.125 17741 11387 1 20 . 1 1 42 42 LEU N N 372 122.901 122.901 122.199 0.702 17741 11388 1 20 . 1 1 42 42 LEU HA H 372 4.035 4.035 4.204 -0.169 17741 11389 1 20 . 1 1 42 42 LEU C C 372 177.704 177.704 178.640 -0.936 17741 11390 1 20 . 1 1 42 42 LEU CA C 372 57.913 57.913 56.988 0.925 17741 11391 1 20 . 1 1 42 42 LEU CB C 372 42.136 42.136 41.317 0.819 17741 11392 1 20 . 1 1 42 42 LEU H H 372 8.876 8.876 7.879 0.997 17741 11393 1 20 . 1 1 43 43 ALA N N 373 120.103 120.103 121.797 -1.694 17741 11394 1 20 . 1 1 43 43 ALA HA H 373 4.462 4.462 4.164 0.298 17741 11395 1 20 . 1 1 43 43 ALA C C 373 179.091 179.091 179.077 0.014 17741 11396 1 20 . 1 1 43 43 ALA CA C 373 55.441 55.441 55.317 0.124 17741 11397 1 20 . 1 1 43 43 ALA CB C 373 18.098 18.098 18.602 -0.504 17741 11398 1 20 . 1 1 43 43 ALA H H 373 8.062 8.062 8.570 -0.508 17741 11399 1 20 . 1 1 44 44 ARG N N 374 118.071 118.071 118.796 -0.725 17741 11400 1 20 . 1 1 44 44 ARG HA H 374 4.117 4.117 4.133 -0.016 17741 11401 1 20 . 1 1 44 44 ARG C C 374 179.414 179.414 178.509 0.905 17741 11402 1 20 . 1 1 44 44 ARG CA C 374 59.297 59.297 58.809 0.488 17741 11403 1 20 . 1 1 44 44 ARG CB C 374 30.069 30.069 29.747 0.322 17741 11404 1 20 . 1 1 44 44 ARG H H 374 7.725 7.725 7.594 0.131 17741 11405 1 20 . 1 1 45 45 LEU N N 375 121.601 121.601 121.066 0.535 17741 11406 1 20 . 1 1 45 45 LEU HA H 375 4.015 4.015 4.193 -0.178 17741 11407 1 20 . 1 1 45 45 LEU C C 375 180.087 180.087 178.865 1.222 17741 11408 1 20 . 1 1 45 45 LEU CA C 375 58.553 58.553 58.147 0.407 17741 11409 1 20 . 1 1 45 45 LEU CB C 375 41.495 41.495 41.261 0.234 17741 11410 1 20 . 1 1 45 45 LEU H H 375 7.877 7.877 7.424 0.453 17741 11411 1 20 . 1 1 46 46 TRP N N 376 121.543 121.543 121.480 0.063 17741 11412 1 20 . 1 1 46 46 TRP HA H 376 4.333 4.333 3.926 0.407 17741 11413 1 20 . 1 1 46 46 TRP C C 376 177.572 177.572 178.466 -0.894 17741 11414 1 20 . 1 1 46 46 TRP CA C 376 59.091 59.091 59.476 -0.385 17741 11415 1 20 . 1 1 46 46 TRP CB C 376 30.305 30.305 29.631 0.674 17741 11416 1 20 . 1 1 46 46 TRP H H 376 8.615 8.615 8.160 0.455 17741 11417 1 20 . 1 1 47 47 GLY N N 377 105.532 105.532 105.492 0.040 17741 11418 1 20 . 1 1 47 47 GLY C C 377 176.057 176.057 175.952 0.105 17741 11419 1 20 . 1 1 47 47 GLY CA C 377 48.035 48.035 46.995 1.040 17741 11420 1 20 . 1 1 47 47 GLY H H 377 8.877 8.877 8.752 0.125 17741 11421 1 20 . 1 1 48 48 ASN N N 378 119.996 119.996 120.806 -0.810 17741 11422 1 20 . 1 1 48 48 ASN HA H 378 4.403 4.403 4.425 -0.022 17741 11423 1 20 . 1 1 48 48 ASN C C 378 178.112 178.112 177.653 0.459 17741 11424 1 20 . 1 1 48 48 ASN CA C 378 56.229 56.229 55.962 0.267 17741 11425 1 20 . 1 1 48 48 ASN CB C 378 38.272 38.272 38.375 -0.103 17741 11426 1 20 . 1 1 48 48 ASN H H 378 8.176 8.176 7.974 0.202 17741 11427 1 20 . 1 1 49 49 HIS N N 379 121.459 121.459 119.876 1.583 17741 11428 1 20 . 1 1 49 49 HIS HA H 379 4.129 4.129 4.326 -0.197 17741 11429 1 20 . 1 1 49 49 HIS C C 379 175.858 175.858 176.696 -0.838 17741 11430 1 20 . 1 1 49 49 HIS CA C 379 59.234 59.234 58.637 0.597 17741 11431 1 20 . 1 1 49 49 HIS CB C 379 29.473 29.473 29.727 -0.254 17741 11432 1 20 . 1 1 49 49 HIS H H 379 8.138 8.138 8.397 -0.259 17741 11433 1 20 . 1 1 50 50 LYS N N 380 115.130 115.130 115.342 -0.212 17741 11434 1 20 . 1 1 50 50 LYS HA H 380 3.797 3.797 3.847 -0.050 17741 11435 1 20 . 1 1 50 50 LYS C C 380 175.468 175.468 175.515 -0.047 17741 11436 1 20 . 1 1 50 50 LYS CA C 380 54.085 54.085 56.265 -2.180 17741 11437 1 20 . 1 1 50 50 LYS CB C 380 30.887 30.887 32.351 -1.464 17741 11438 1 20 . 1 1 50 50 LYS H H 380 7.552 7.552 7.799 -0.247 17741 11439 1 20 . 1 1 51 51 ASN N N 381 116.632 116.632 113.535 3.097 17741 11440 1 20 . 1 1 51 51 ASN HA H 381 4.264 4.264 4.243 0.021 17741 11441 1 20 . 1 1 51 51 ASN C C 381 174.332 174.332 173.840 0.492 17741 11442 1 20 . 1 1 51 51 ASN CA C 381 54.189 54.189 54.225 -0.036 17741 11443 1 20 . 1 1 51 51 ASN CB C 381 37.343 37.343 37.074 0.269 17741 11444 1 20 . 1 1 51 51 ASN H H 381 7.715 7.715 7.543 0.172 17741 11445 1 20 . 1 1 52 52 ARG N N 382 117.701 117.701 118.746 -1.045 17741 11446 1 20 . 1 1 52 52 ARG HA H 382 4.583 4.583 4.686 -0.103 17741 11447 1 20 . 1 1 52 52 ARG C C 382 176.172 176.172 175.593 0.579 17741 11448 1 20 . 1 1 52 52 ARG CA C 382 54.167 54.167 53.860 0.307 17741 11449 1 20 . 1 1 52 52 ARG CB C 382 31.882 31.882 32.405 -0.523 17741 11450 1 20 . 1 1 52 52 ARG H H 382 8.465 8.465 8.152 0.313 17741 11451 1 20 . 1 1 53 53 THR N N 383 114.338 114.338 118.097 -3.759 17741 11452 1 20 . 1 1 53 53 THR HA H 383 4.208 4.208 4.301 -0.093 17741 11453 1 20 . 1 1 53 53 THR C C 383 174.496 174.496 174.831 -0.335 17741 11454 1 20 . 1 1 53 53 THR CA C 383 62.345 62.345 62.206 0.139 17741 11455 1 20 . 1 1 53 53 THR CB C 383 69.699 69.699 69.555 0.144 17741 11456 1 20 . 1 1 53 53 THR H H 383 8.274 8.274 8.259 0.015 17741 11457 1 20 . 1 1 54 54 ASN N N 384 119.031 119.031 115.106 3.925 17741 11458 1 20 . 1 1 54 54 ASN HA H 384 4.607 4.607 4.527 0.080 17741 11459 1 20 . 1 1 54 54 ASN C C 384 174.829 174.829 174.589 0.240 17741 11460 1 20 . 1 1 54 54 ASN CA C 384 53.155 53.155 54.524 -1.369 17741 11461 1 20 . 1 1 54 54 ASN CB C 384 37.871 37.871 37.654 0.217 17741 11462 1 20 . 1 1 54 54 ASN H H 384 8.457 8.457 8.666 -0.209 17741 11463 1 20 . 1 1 55 55 MET N N 385 119.922 119.922 119.706 0.216 17741 11464 1 20 . 1 1 55 55 MET HA H 385 4.558 4.558 4.402 0.156 17741 11465 1 20 . 1 1 55 55 MET C C 385 174.921 174.921 175.423 -0.502 17741 11466 1 20 . 1 1 55 55 MET CA C 385 55.271 55.271 56.622 -1.351 17741 11467 1 20 . 1 1 55 55 MET CB C 385 30.991 30.991 33.026 -2.034 17741 11468 1 20 . 1 1 55 55 MET H H 385 8.073 8.073 7.638 0.435 17741 11469 1 20 . 1 1 56 56 THR N N 386 113.771 113.771 112.452 1.319 17741 11470 1 20 . 1 1 56 56 THR HA H 386 4.693 4.693 4.524 0.169 17741 11471 1 20 . 1 1 56 56 THR C C 386 175.459 175.459 174.208 1.251 17741 11472 1 20 . 1 1 56 56 THR CA C 386 59.043 59.043 60.265 -1.222 17741 11473 1 20 . 1 1 56 56 THR CB C 386 72.393 72.393 71.555 0.838 17741 11474 1 20 . 1 1 56 56 THR H H 386 7.076 7.076 7.728 -0.652 17741 11475 1 20 . 1 1 57 57 TYR N N 387 123.521 123.521 121.938 1.583 17741 11476 1 20 . 1 1 57 57 TYR HA H 387 4.127 4.127 4.274 -0.147 17741 11477 1 20 . 1 1 57 57 TYR C C 387 177.432 177.432 176.961 0.471 17741 11478 1 20 . 1 1 57 57 TYR CA C 387 62.527 62.527 61.328 1.199 17741 11479 1 20 . 1 1 57 57 TYR CB C 387 37.289 37.289 38.819 -1.530 17741 11480 1 20 . 1 1 57 57 TYR H H 387 9.726 9.726 9.003 0.723 17741 11481 1 20 . 1 1 58 58 GLU N N 388 121.083 121.083 119.587 1.496 17741 11482 1 20 . 1 1 58 58 GLU HA H 388 3.825 3.825 3.841 -0.016 17741 11483 1 20 . 1 1 58 58 GLU C C 388 179.225 179.225 178.635 0.590 17741 11484 1 20 . 1 1 58 58 GLU CA C 388 60.476 60.476 59.485 0.991 17741 11485 1 20 . 1 1 58 58 GLU CB C 388 29.087 29.087 28.773 0.314 17741 11486 1 20 . 1 1 58 58 GLU H H 388 8.843 8.843 8.034 0.809 17741 11487 1 20 . 1 1 59 59 LYS N N 389 119.209 119.209 119.132 0.077 17741 11488 1 20 . 1 1 59 59 LYS HA H 389 3.971 3.971 4.036 -0.065 17741 11489 1 20 . 1 1 59 59 LYS C C 389 179.944 179.944 179.351 0.593 17741 11490 1 20 . 1 1 59 59 LYS CA C 389 59.897 59.897 58.942 0.955 17741 11491 1 20 . 1 1 59 59 LYS CB C 389 33.359 33.359 32.092 1.267 17741 11492 1 20 . 1 1 59 59 LYS H H 389 7.605 7.605 7.600 0.005 17741 11493 1 20 . 1 1 60 60 MET N N 390 122.401 122.401 120.216 2.185 17741 11494 1 20 . 1 1 60 60 MET HA H 390 3.944 3.944 3.874 0.070 17741 11495 1 20 . 1 1 60 60 MET C C 390 177.716 177.716 177.012 0.704 17741 11496 1 20 . 1 1 60 60 MET CA C 390 59.547 59.547 58.939 0.608 17741 11497 1 20 . 1 1 60 60 MET CB C 390 33.315 33.315 32.254 1.061 17741 11498 1 20 . 1 1 60 60 MET H H 390 8.229 8.229 7.507 0.722 17741 11499 1 20 . 1 1 61 61 SER N N 391 114.652 114.652 115.185 -0.533 17741 11500 1 20 . 1 1 61 61 SER HA H 391 3.771 3.771 3.729 0.042 17741 11501 1 20 . 1 1 61 61 SER C C 391 176.449 176.449 176.057 0.392 17741 11502 1 20 . 1 1 61 61 SER CA C 391 61.554 61.554 61.868 -0.314 17741 11503 1 20 . 1 1 61 61 SER CB C 391 62.278 62.278 62.828 -0.550 17741 11504 1 20 . 1 1 61 61 SER H H 391 8.829 8.829 8.247 0.582 17741 11505 1 20 . 1 1 62 62 ARG N N 392 122.213 122.213 120.547 1.666 17741 11506 1 20 . 1 1 62 62 ARG HA H 392 3.945 3.945 3.898 0.047 17741 11507 1 20 . 1 1 62 62 ARG C C 392 178.600 178.600 177.605 0.995 17741 11508 1 20 . 1 1 62 62 ARG CA C 392 59.571 59.571 58.749 0.822 17741 11509 1 20 . 1 1 62 62 ARG CB C 392 29.914 29.914 29.080 0.834 17741 11510 1 20 . 1 1 62 62 ARG H H 392 7.413 7.413 8.449 -1.036 17741 11511 1 20 . 1 1 63 63 ALA N N 393 122.327 122.327 121.693 0.634 17741 11512 1 20 . 1 1 63 63 ALA HA H 393 4.157 4.157 3.911 0.246 17741 11513 1 20 . 1 1 63 63 ALA C C 393 180.147 180.147 178.924 1.223 17741 11514 1 20 . 1 1 63 63 ALA CA C 393 54.749 54.749 54.059 0.690 17741 11515 1 20 . 1 1 63 63 ALA CB C 393 18.529 18.529 18.015 0.514 17741 11516 1 20 . 1 1 63 63 ALA H H 393 7.256 7.256 7.174 0.082 17741 11517 1 20 . 1 1 64 64 LEU N N 394 117.582 117.582 118.486 -0.904 17741 11518 1 20 . 1 1 64 64 LEU HA H 394 3.769 3.769 3.349 0.420 17741 11519 1 20 . 1 1 64 64 LEU C C 394 178.139 178.139 178.802 -0.663 17741 11520 1 20 . 1 1 64 64 LEU CA C 394 58.012 58.012 57.371 0.641 17741 11521 1 20 . 1 1 64 64 LEU CB C 394 41.396 41.396 41.226 0.170 17741 11522 1 20 . 1 1 64 64 LEU H H 394 7.768 7.768 7.766 0.002 17741 11523 1 20 . 1 1 65 65 ARG N N 395 116.204 116.204 115.177 1.027 17741 11524 1 20 . 1 1 65 65 ARG HA H 395 3.445 3.445 3.190 0.255 17741 11525 1 20 . 1 1 65 65 ARG C C 395 179.423 179.423 179.143 0.280 17741 11526 1 20 . 1 1 65 65 ARG CA C 395 58.829 58.829 57.722 1.107 17741 11527 1 20 . 1 1 65 65 ARG CB C 395 29.776 29.776 28.948 0.828 17741 11528 1 20 . 1 1 65 65 ARG H H 395 7.595 7.595 8.438 -0.843 17741 11529 1 20 . 1 1 66 66 HIS N N 396 118.573 118.573 121.028 -2.455 17741 11530 1 20 . 1 1 66 66 HIS HA H 396 4.401 4.401 4.383 0.018 17741 11531 1 20 . 1 1 66 66 HIS C C 396 177.218 177.218 177.386 -0.168 17741 11532 1 20 . 1 1 66 66 HIS CA C 396 58.821 58.821 59.071 -0.250 17741 11533 1 20 . 1 1 66 66 HIS CB C 396 29.753 29.753 29.712 0.041 17741 11534 1 20 . 1 1 66 66 HIS H H 396 7.362 7.362 7.396 -0.034 17741 11535 1 20 . 1 1 67 67 TYR N N 397 115.773 115.773 118.925 -3.152 17741 11536 1 20 . 1 1 67 67 TYR HA H 397 4.259 4.259 4.016 0.243 17741 11537 1 20 . 1 1 67 67 TYR C C 397 178.802 178.802 178.019 0.783 17741 11538 1 20 . 1 1 67 67 TYR CA C 397 60.329 60.329 59.373 0.955 17741 11539 1 20 . 1 1 67 67 TYR CB C 397 37.379 37.379 36.733 0.647 17741 11540 1 20 . 1 1 67 67 TYR H H 397 7.568 7.568 7.786 -0.218 17741 11541 1 20 . 1 1 68 68 TYR N N 398 121.825 121.825 117.783 4.042 17741 11542 1 20 . 1 1 68 68 TYR HA H 398 5.413 5.413 4.881 0.532 17741 11543 1 20 . 1 1 68 68 TYR C C 398 181.169 181.169 178.876 2.293 17741 11544 1 20 . 1 1 68 68 TYR CA C 398 57.775 57.775 58.920 -1.145 17741 11545 1 20 . 1 1 68 68 TYR CB C 398 36.972 36.972 37.129 -0.157 17741 11546 1 20 . 1 1 68 68 TYR H H 398 8.116 8.116 7.433 0.683 17741 11547 1 20 . 1 1 69 69 LYS N N 399 120.934 120.934 118.548 2.386 17741 11548 1 20 . 1 1 69 69 LYS HA H 399 4.127 4.127 4.158 -0.031 17741 11549 1 20 . 1 1 69 69 LYS C C 399 177.928 177.928 177.667 0.261 17741 11550 1 20 . 1 1 69 69 LYS CA C 399 58.912 58.912 58.861 0.051 17741 11551 1 20 . 1 1 69 69 LYS CB C 399 32.188 32.188 32.177 0.011 17741 11552 1 20 . 1 1 69 69 LYS H H 399 7.771 7.771 7.823 -0.052 17741 11553 1 20 . 1 1 70 70 LEU N N 400 116.022 116.022 117.622 -1.600 17741 11554 1 20 . 1 1 70 70 LEU HA H 400 4.291 4.291 4.340 -0.049 17741 11555 1 20 . 1 1 70 70 LEU C C 400 175.827 175.827 175.998 -0.171 17741 11556 1 20 . 1 1 70 70 LEU CA C 400 54.675 54.675 54.393 0.282 17741 11557 1 20 . 1 1 70 70 LEU CB C 400 43.081 43.081 40.924 2.157 17741 11558 1 20 . 1 1 70 70 LEU H H 400 7.144 7.144 7.419 -0.275 17741 11559 1 20 . 1 1 71 71 ASN N N 401 115.201 115.201 113.532 1.669 17741 11560 1 20 . 1 1 71 71 ASN HA H 401 4.352 4.352 4.399 -0.047 17741 11561 1 20 . 1 1 71 71 ASN C C 401 173.517 173.517 174.644 -1.127 17741 11562 1 20 . 1 1 71 71 ASN CA C 401 54.602 54.602 54.937 -0.335 17741 11563 1 20 . 1 1 71 71 ASN CB C 401 37.381 37.381 36.461 0.920 17741 11564 1 20 . 1 1 71 71 ASN H H 401 8.047 8.047 7.657 0.390 17741 11565 1 20 . 1 1 72 72 ILE N N 402 113.907 113.907 115.466 -1.559 17741 11566 1 20 . 1 1 72 72 ILE HA H 402 4.059 4.059 3.963 0.096 17741 11567 1 20 . 1 1 72 72 ILE C C 402 176.279 176.279 175.723 0.556 17741 11568 1 20 . 1 1 72 72 ILE CA C 402 63.797 63.797 62.651 1.146 17741 11569 1 20 . 1 1 72 72 ILE CB C 402 40.395 40.395 39.536 0.859 17741 11570 1 20 . 1 1 72 72 ILE H H 402 7.986 7.986 8.374 -0.388 17741 11571 1 20 . 1 1 73 73 ILE N N 403 116.766 116.766 115.257 1.509 17741 11572 1 20 . 1 1 73 73 ILE HA H 403 5.042 5.042 4.624 0.418 17741 11573 1 20 . 1 1 73 73 ILE C C 403 173.945 173.945 174.204 -0.259 17741 11574 1 20 . 1 1 73 73 ILE CA C 403 59.247 59.247 59.248 -0.001 17741 11575 1 20 . 1 1 73 73 ILE CB C 403 43.414 43.414 42.253 1.161 17741 11576 1 20 . 1 1 73 73 ILE H H 403 7.042 7.042 7.107 -0.065 17741 11577 1 20 . 1 1 74 74 ARG N N 404 123.256 123.256 121.564 1.692 17741 11578 1 20 . 1 1 74 74 ARG HA H 404 4.751 4.751 4.511 0.240 17741 11579 1 20 . 1 1 74 74 ARG C C 404 174.757 174.757 173.927 0.830 17741 11580 1 20 . 1 1 74 74 ARG CA C 404 54.274 54.274 54.163 0.111 17741 11581 1 20 . 1 1 74 74 ARG CB C 404 34.492 34.492 34.321 0.171 17741 11582 1 20 . 1 1 74 74 ARG H H 404 8.931 8.931 9.075 -0.144 17741 11583 1 20 . 1 1 75 75 LYS N N 405 125.627 125.627 121.527 4.100 17741 11584 1 20 . 1 1 75 75 LYS HA H 405 4.076 4.076 4.389 -0.313 17741 11585 1 20 . 1 1 75 75 LYS C C 405 176.481 176.481 176.453 0.028 17741 11586 1 20 . 1 1 75 75 LYS CA C 405 56.446 56.446 54.165 2.281 17741 11587 1 20 . 1 1 75 75 LYS CB C 405 32.758 32.758 33.562 -0.804 17741 11588 1 20 . 1 1 75 75 LYS H H 405 8.294 8.294 8.027 0.267 17741 11589 1 20 . 1 1 76 76 GLU N N 406 128.187 128.187 126.802 1.385 17741 11590 1 20 . 1 1 76 76 GLU HA H 406 4.447 4.447 4.431 0.016 17741 11591 1 20 . 1 1 76 76 GLU C C 406 174.401 174.401 175.341 -0.940 17741 11592 1 20 . 1 1 76 76 GLU CA C 406 53.751 53.751 53.649 0.102 17741 11593 1 20 . 1 1 76 76 GLU CB C 406 29.951 29.951 28.081 1.870 17741 11594 1 20 . 1 1 76 76 GLU H H 406 8.016 8.016 8.052 -0.036 17741 11595 1 20 . 1 1 77 77 PRO HA H 407 4.288 4.288 4.343 -0.055 17741 11596 1 20 . 1 1 77 77 PRO C C 407 177.654 177.654 176.951 0.703 17741 11597 1 20 . 1 1 77 77 PRO CA C 407 63.433 63.433 63.115 0.318 17741 11598 1 20 . 1 1 77 77 PRO CB C 407 32.152 32.152 31.019 1.133 17741 11599 1 20 . 1 1 78 78 GLY N N 408 109.679 109.679 113.958 -4.279 17741 11600 1 20 . 1 1 78 78 GLY C C 408 173.976 173.976 174.555 -0.579 17741 11601 1 20 . 1 1 78 78 GLY CA C 408 45.539 45.539 44.832 0.707 17741 11602 1 20 . 1 1 78 78 GLY H H 408 8.514 8.514 8.569 -0.055 17741 11603 1 20 . 1 1 79 79 GLN N N 409 116.897 116.897 119.986 -3.089 17741 11604 1 20 . 1 1 79 79 GLN HA H 409 4.489 4.489 4.358 0.131 17741 11605 1 20 . 1 1 79 79 GLN C C 409 175.371 175.371 175.873 -0.502 17741 11606 1 20 . 1 1 79 79 GLN CA C 409 54.472 54.472 55.246 -0.774 17741 11607 1 20 . 1 1 79 79 GLN CB C 409 31.301 31.301 29.460 1.841 17741 11608 1 20 . 1 1 79 79 GLN H H 409 7.572 7.572 8.647 -1.075 17741 11609 1 20 . 1 1 80 80 ARG N N 410 120.458 120.458 119.198 1.260 17741 11610 1 20 . 1 1 80 80 ARG HA H 410 4.275 4.275 4.247 0.028 17741 11611 1 20 . 1 1 80 80 ARG C C 410 176.227 176.227 177.256 -1.029 17741 11612 1 20 . 1 1 80 80 ARG CA C 410 56.891 56.891 57.804 -0.913 17741 11613 1 20 . 1 1 80 80 ARG CB C 410 31.475 31.475 29.799 1.676 17741 11614 1 20 . 1 1 80 80 ARG H H 410 8.254 8.254 8.519 -0.265 17741 11615 1 20 . 1 1 81 81 LEU N N 411 119.424 119.424 121.431 -2.007 17741 11616 1 20 . 1 1 81 81 LEU HA H 411 4.048 4.048 4.599 -0.551 17741 11617 1 20 . 1 1 81 81 LEU C C 411 173.277 173.277 175.310 -2.033 17741 11618 1 20 . 1 1 81 81 LEU CA C 411 55.111 55.111 53.692 1.419 17741 11619 1 20 . 1 1 81 81 LEU CB C 411 40.298 40.298 41.237 -0.939 17741 11620 1 20 . 1 1 81 81 LEU H H 411 8.467 8.467 8.022 0.445 17741 11621 1 20 . 1 1 82 82 LEU N N 412 119.126 119.126 121.830 -2.704 17741 11622 1 20 . 1 1 82 82 LEU HA H 412 5.036 5.036 4.833 0.203 17741 11623 1 20 . 1 1 82 82 LEU C C 412 175.323 175.323 174.587 0.736 17741 11624 1 20 . 1 1 82 82 LEU CA C 412 53.175 53.175 53.373 -0.198 17741 11625 1 20 . 1 1 82 82 LEU CB C 412 45.482 45.482 43.232 2.250 17741 11626 1 20 . 1 1 82 82 LEU H H 412 6.769 6.769 7.107 -0.338 17741 11627 1 20 . 1 1 83 83 PHE N N 413 122.107 122.107 123.679 -1.572 17741 11628 1 20 . 1 1 83 83 PHE HA H 413 4.848 4.848 4.902 -0.054 17741 11629 1 20 . 1 1 83 83 PHE C C 413 172.764 172.764 173.551 -0.787 17741 11630 1 20 . 1 1 83 83 PHE CA C 413 55.848 55.848 56.170 -0.322 17741 11631 1 20 . 1 1 83 83 PHE CB C 413 44.675 44.675 43.046 1.629 17741 11632 1 20 . 1 1 83 83 PHE H H 413 8.648 8.648 9.092 -0.444 17741 11633 1 20 . 1 1 84 84 ARG N N 414 119.466 119.466 121.814 -2.348 17741 11634 1 20 . 1 1 84 84 ARG HA H 414 5.578 5.578 5.401 0.177 17741 11635 1 20 . 1 1 84 84 ARG C C 414 177.476 177.476 175.319 2.157 17741 11636 1 20 . 1 1 84 84 ARG CA C 414 54.198 54.198 54.139 0.059 17741 11637 1 20 . 1 1 84 84 ARG CB C 414 36.128 36.128 33.736 2.392 17741 11638 1 20 . 1 1 84 84 ARG H H 414 9.117 9.117 8.725 0.392 17741 11639 1 20 . 1 1 85 85 PHE N N 415 124.357 124.357 127.253 -2.896 17741 11640 1 20 . 1 1 85 85 PHE HA H 415 5.037 5.037 4.688 0.349 17741 11641 1 20 . 1 1 85 85 PHE C C 415 176.084 176.084 176.115 -0.031 17741 11642 1 20 . 1 1 85 85 PHE CA C 415 59.719 59.719 60.623 -0.904 17741 11643 1 20 . 1 1 85 85 PHE CB C 415 40.812 40.812 39.264 1.548 17741 11644 1 20 . 1 1 85 85 PHE H H 415 8.984 8.984 9.528 -0.544 17741 11645 1 20 . 1 1 86 86 MET N N 416 121.301 121.301 122.707 -1.406 17741 11646 1 20 . 1 1 86 86 MET HA H 416 4.670 4.670 4.214 0.456 17741 11647 1 20 . 1 1 86 86 MET C C 416 176.543 176.543 176.617 -0.074 17741 11648 1 20 . 1 1 86 86 MET CA C 416 54.863 54.863 57.691 -2.828 17741 11649 1 20 . 1 1 86 86 MET CB C 416 31.711 31.711 32.522 -0.811 17741 11650 1 20 . 1 1 86 86 MET H H 416 8.671 8.671 8.634 0.037 17741 11651 1 20 . 1 1 87 87 LYS N N 417 117.759 117.759 116.276 1.483 17741 11652 1 20 . 1 1 87 87 LYS HA H 417 4.856 4.856 4.677 0.179 17741 11653 1 20 . 1 1 87 87 LYS C C 417 175.445 175.445 174.787 0.658 17741 11654 1 20 . 1 1 87 87 LYS CA C 417 54.550 54.550 54.832 -0.282 17741 11655 1 20 . 1 1 87 87 LYS CB C 417 37.828 37.828 36.290 1.538 17741 11656 1 20 . 1 1 87 87 LYS H H 417 7.656 7.656 7.686 -0.030 17741 11657 1 20 . 1 1 88 88 THR N N 418 112.506 112.506 111.185 1.321 17741 11658 1 20 . 1 1 88 88 THR HA H 418 4.372 4.372 4.976 -0.604 17741 11659 1 20 . 1 1 88 88 THR C C 418 173.594 173.594 173.644 -0.050 17741 11660 1 20 . 1 1 88 88 THR CA C 418 59.640 59.640 58.664 0.975 17741 11661 1 20 . 1 1 88 88 THR CB C 418 68.065 68.065 69.158 -1.093 17741 11662 1 20 . 1 1 88 88 THR H H 418 8.685 8.685 8.019 0.666 17741 11663 1 20 . 1 1 89 89 PRO HA H 419 3.748 3.748 3.951 -0.203 17741 11664 1 20 . 1 1 89 89 PRO C C 419 177.219 177.219 178.575 -1.356 17741 11665 1 20 . 1 1 89 89 PRO CA C 419 65.592 65.592 66.529 -0.937 17741 11666 1 20 . 1 1 89 89 PRO CB C 419 31.739 31.739 31.857 -0.118 17741 11667 1 20 . 1 1 90 90 ASP N N 420 114.631 114.631 114.918 -0.287 17741 11668 1 20 . 1 1 90 90 ASP HA H 420 4.265 4.265 4.441 -0.176 17741 11669 1 20 . 1 1 90 90 ASP C C 420 177.962 177.962 178.051 -0.089 17741 11670 1 20 . 1 1 90 90 ASP CA C 420 56.371 56.371 56.999 -0.628 17741 11671 1 20 . 1 1 90 90 ASP CB C 420 40.662 40.662 40.588 0.074 17741 11672 1 20 . 1 1 90 90 ASP H H 420 7.962 7.962 8.526 -0.564 17741 11673 1 20 . 1 1 91 91 GLU N N 421 119.501 119.501 118.202 1.299 17741 11674 1 20 . 1 1 91 91 GLU HA H 421 4.043 4.043 4.185 -0.142 17741 11675 1 20 . 1 1 91 91 GLU C C 421 178.599 178.599 178.630 -0.031 17741 11676 1 20 . 1 1 91 91 GLU CA C 421 58.113 58.113 58.485 -0.372 17741 11677 1 20 . 1 1 91 91 GLU CB C 421 30.721 30.721 29.934 0.787 17741 11678 1 20 . 1 1 91 91 GLU H H 421 7.661 7.661 7.854 -0.193 17741 11679 1 20 . 1 1 92 92 ILE N N 422 120.594 120.594 120.843 -0.249 17741 11680 1 20 . 1 1 92 92 ILE HA H 422 3.641 3.641 3.697 -0.056 17741 11681 1 20 . 1 1 92 92 ILE C C 422 177.752 177.752 178.180 -0.428 17741 11682 1 20 . 1 1 92 92 ILE CA C 422 62.931 62.931 65.131 -2.200 17741 11683 1 20 . 1 1 92 92 ILE CB C 422 38.185 38.185 37.894 0.291 17741 11684 1 20 . 1 1 92 92 ILE H H 422 7.861 7.861 7.579 0.282 17741 11685 1 20 . 1 1 93 93 MET N N 423 119.187 119.187 116.968 2.219 17741 11686 1 20 . 1 1 93 93 MET HA H 423 4.391 4.391 4.340 0.051 17741 11687 1 20 . 1 1 93 93 MET C C 423 176.982 176.982 177.038 -0.056 17741 11688 1 20 . 1 1 93 93 MET CA C 423 56.491 56.491 58.552 -2.061 17741 11689 1 20 . 1 1 93 93 MET CB C 423 32.584 32.584 32.813 -0.229 17741 11690 1 20 . 1 1 93 93 MET H H 423 8.158 8.158 8.393 -0.235 17741 11691 1 20 . 1 1 94 94 SER N N 424 114.933 114.933 112.259 2.674 17741 11692 1 20 . 1 1 94 94 SER HA H 424 4.394 4.394 4.378 0.016 17741 11693 1 20 . 1 1 94 94 SER C C 424 175.238 175.238 174.476 0.762 17741 11694 1 20 . 1 1 94 94 SER CA C 424 59.423 59.423 58.207 1.216 17741 11695 1 20 . 1 1 94 94 SER CB C 424 63.695 63.695 62.282 1.413 17741 11696 1 20 . 1 1 94 94 SER H H 424 7.854 7.854 8.039 -0.185 17741 11697 1 20 . 1 1 95 95 GLY N N 425 110.045 110.045 108.669 1.376 17741 11698 1 20 . 1 1 95 95 GLY C C 425 174.194 174.194 176.625 -2.431 17741 11699 1 20 . 1 1 95 95 GLY CA C 425 45.432 45.432 45.313 0.119 17741 11700 1 20 . 1 1 95 95 GLY H H 425 8.061 8.061 7.340 0.721 17741 11701 1 20 . 1 1 96 96 ARG N N 426 119.987 119.987 123.232 -3.245 17741 11702 1 20 . 1 1 96 96 ARG HA H 426 4.475 4.475 4.068 0.407 17741 11703 1 20 . 1 1 96 96 ARG C C 426 177.308 177.308 177.793 -0.485 17741 11704 1 20 . 1 1 96 96 ARG CA C 426 56.195 56.195 58.844 -2.649 17741 11705 1 20 . 1 1 96 96 ARG CB C 426 30.354 30.354 30.213 0.141 17741 11706 1 20 . 1 1 96 96 ARG H H 426 8.092 8.092 8.341 -0.249 17741 11707 1 20 . 1 1 97 97 THR N N 427 114.398 114.398 111.432 2.966 17741 11708 1 20 . 1 1 97 97 THR HA H 427 4.298 4.298 4.590 -0.292 17741 11709 1 20 . 1 1 97 97 THR C C 427 174.913 174.913 174.360 0.553 17741 11710 1 20 . 1 1 97 97 THR CA C 427 62.673 62.673 60.602 2.071 17741 11711 1 20 . 1 1 97 97 THR CB C 427 69.473 69.473 68.772 0.701 17741 11712 1 20 . 1 1 97 97 THR H H 427 8.319 8.319 7.678 0.641 17741 11713 1 20 . 1 1 98 98 ASP N N 428 121.983 121.983 122.966 -0.983 17741 11714 1 20 . 1 1 98 98 ASP HA H 428 4.508 4.508 4.701 -0.193 17741 11715 1 20 . 1 1 98 98 ASP C C 428 176.956 176.956 177.518 -0.562 17741 11716 1 20 . 1 1 98 98 ASP CA C 428 55.433 55.433 57.388 -1.955 17741 11717 1 20 . 1 1 98 98 ASP CB C 428 40.746 40.746 41.383 -0.637 17741 11718 1 20 . 1 1 98 98 ASP H H 428 8.488 8.488 8.001 0.487 17741 11719 1 20 . 1 1 99 99 ARG N N 429 119.821 119.821 117.891 1.930 17741 11720 1 20 . 1 1 99 99 ARG HA H 429 4.277 4.277 4.384 -0.107 17741 11721 1 20 . 1 1 99 99 ARG C C 429 177.078 177.078 178.906 -1.828 17741 11722 1 20 . 1 1 99 99 ARG CA C 429 56.984 56.984 58.345 -1.361 17741 11723 1 20 . 1 1 99 99 ARG CB C 429 30.224 30.224 30.297 -0.073 17741 11724 1 20 . 1 1 99 99 ARG H H 429 8.088 8.088 7.775 0.313 17741 11725 1 20 . 1 1 100 100 LEU N N 430 120.887 120.887 121.870 -0.983 17741 11726 1 20 . 1 1 100 100 LEU HA H 430 4.176 4.176 4.155 0.021 17741 11727 1 20 . 1 1 100 100 LEU C C 430 177.732 177.732 178.521 -0.789 17741 11728 1 20 . 1 1 100 100 LEU CA C 430 56.324 56.324 58.282 -1.958 17741 11729 1 20 . 1 1 100 100 LEU CB C 430 42.262 42.262 41.934 0.329 17741 11730 1 20 . 1 1 100 100 LEU H H 430 7.945 7.945 8.095 -0.150 17741 11731 1 20 . 1 1 101 101 GLU N N 431 119.799 119.799 116.594 3.205 17741 11732 1 20 . 1 1 101 101 GLU HA H 431 4.082 4.082 3.997 0.085 17741 11733 1 20 . 1 1 101 101 GLU C C 431 177.281 177.281 177.911 -0.630 17741 11734 1 20 . 1 1 101 101 GLU CA C 431 58.011 58.011 59.158 -1.147 17741 11735 1 20 . 1 1 101 101 GLU CB C 431 30.191 30.191 29.365 0.826 17741 11736 1 20 . 1 1 101 101 GLU H H 431 8.268 8.268 7.909 0.359 17741 11737 1 20 . 1 1 102 102 HIS N N 432 118.048 118.048 115.521 2.527 17741 11738 1 20 . 1 1 102 102 HIS HA H 432 4.584 4.584 4.595 -0.011 17741 11739 1 20 . 1 1 102 102 HIS C C 432 175.678 175.678 177.937 -2.259 17741 11740 1 20 . 1 1 102 102 HIS CA C 432 56.571 56.571 58.772 -2.201 17741 11741 1 20 . 1 1 102 102 HIS CB C 432 29.352 29.352 30.754 -1.402 17741 11742 1 20 . 1 1 102 102 HIS H H 432 8.166 8.166 8.036 0.130 17741 11743 1 20 . 1 1 103 103 LEU N N 433 122.228 122.228 119.385 2.843 17741 11744 1 20 . 1 1 103 103 LEU HA H 433 4.176 4.176 4.398 -0.222 17741 11745 1 20 . 1 1 103 103 LEU C C 433 177.904 177.904 178.638 -0.734 17741 11746 1 20 . 1 1 103 103 LEU CA C 433 56.237 56.237 57.574 -1.337 17741 11747 1 20 . 1 1 103 103 LEU CB C 433 42.305 42.305 41.634 0.671 17741 11748 1 20 . 1 1 103 103 LEU H H 433 8.072 8.072 7.632 0.440 17741 11749 1 20 . 1 1 104 104 GLU N N 434 119.413 119.413 119.570 -0.157 17741 11750 1 20 . 1 1 104 104 GLU HA H 434 4.309 4.309 4.081 0.228 17741 11751 1 20 . 1 1 104 104 GLU C C 434 176.560 176.560 178.061 -1.501 17741 11752 1 20 . 1 1 104 104 GLU CA C 434 57.098 57.098 59.030 -1.932 17741 11753 1 20 . 1 1 104 104 GLU CB C 434 30.301 30.301 29.274 1.027 17741 11754 1 20 . 1 1 104 104 GLU H H 434 8.331 8.331 8.994 -0.663 17741 11755 1 20 . 1 1 105 105 SER N N 435 115.859 115.859 112.789 3.070 17741 11756 1 20 . 1 1 105 105 SER HA H 435 4.443 4.443 4.200 0.243 17741 11757 1 20 . 1 1 105 105 SER C C 435 173.630 173.630 174.850 -1.220 17741 11758 1 20 . 1 1 105 105 SER CA C 435 58.591 58.591 60.195 -1.604 17741 11759 1 20 . 1 1 105 105 SER CB C 435 64.066 64.066 63.097 0.969 17741 11760 1 20 . 1 1 105 105 SER H H 435 7.976 7.976 7.535 0.441 17741 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 96 1.968 0.049 1.977 17741 2 1 1 "Average Difference" HA 105 0.266 -0.025 0.266 17741 3 1 1 "Average Difference" C 101 1.002 0.057 1.005 17741 4 1 1 "Average Difference" CA 101 1.043 -0.033 1.048 17741 5 1 1 "Average Difference" CB 97 0.996 -0.292 0.957 17741 6 1 1 "Average Difference" HN 96 0.462 -0.061 0.460 17741 7 1 2 "Average Difference" N 96 1.948 0.090 1.957 17741 8 1 2 "Average Difference" HA 105 0.260 -0.044 0.258 17741 9 1 2 "Average Difference" C 101 0.982 0.065 0.985 17741 10 1 2 "Average Difference" CA 101 0.926 -0.011 0.931 17741 11 1 2 "Average Difference" CB 97 1.015 -0.324 0.967 17741 12 1 2 "Average Difference" HN 96 0.427 -0.018 0.429 17741 13 1 3 "Average Difference" N 96 2.146 0.076 2.156 17741 14 1 3 "Average Difference" HA 105 0.258 -0.032 0.257 17741 15 1 3 "Average Difference" C 101 0.991 0.083 0.992 17741 16 1 3 "Average Difference" CA 101 0.972 -0.019 0.977 17741 17 1 3 "Average Difference" CB 97 0.968 -0.357 0.905 17741 18 1 3 "Average Difference" HN 96 0.424 -0.051 0.423 17741 19 1 4 "Average Difference" N 96 2.136 -0.024 2.147 17741 20 1 4 "Average Difference" HA 105 0.277 -0.050 0.274 17741 21 1 4 "Average Difference" C 101 1.011 0.064 1.014 17741 22 1 4 "Average Difference" CA 101 1.033 -0.032 1.037 17741 23 1 4 "Average Difference" CB 97 1.038 -0.346 0.983 17741 24 1 4 "Average Difference" HN 96 0.442 -0.070 0.438 17741 25 1 5 "Average Difference" N 96 2.058 -0.078 2.067 17741 26 1 5 "Average Difference" HA 105 0.257 -0.026 0.257 17741 27 1 5 "Average Difference" C 101 1.009 0.052 1.012 17741 28 1 5 "Average Difference" CA 101 0.994 0.009 0.998 17741 29 1 5 "Average Difference" CB 97 1.037 -0.272 1.006 17741 30 1 5 "Average Difference" HN 96 0.431 -0.048 0.430 17741 31 1 6 "Average Difference" N 96 2.018 0.020 2.029 17741 32 1 6 "Average Difference" HA 105 0.279 -0.025 0.280 17741 33 1 6 "Average Difference" C 101 1.047 0.075 1.049 17741 34 1 6 "Average Difference" CA 101 1.037 -0.034 1.041 17741 35 1 6 "Average Difference" CB 97 1.037 -0.326 0.989 17741 36 1 6 "Average Difference" HN 96 0.488 -0.043 0.488 17741 37 1 7 "Average Difference" N 96 1.961 0.087 1.969 17741 38 1 7 "Average Difference" HA 105 0.274 -0.056 0.269 17741 39 1 7 "Average Difference" C 101 1.032 0.105 1.032 17741 40 1 7 "Average Difference" CA 101 1.002 0.017 1.007 17741 41 1 7 "Average Difference" CB 97 1.044 -0.338 0.993 17741 42 1 7 "Average Difference" HN 96 0.462 -0.060 0.461 17741 43 1 8 "Average Difference" N 96 2.135 -0.081 2.144 17741 44 1 8 "Average Difference" HA 105 0.284 -0.035 0.283 17741 45 1 8 "Average Difference" C 101 1.009 0.060 1.012 17741 46 1 8 "Average Difference" CA 101 1.073 -0.049 1.077 17741 47 1 8 "Average Difference" CB 97 1.013 -0.308 0.970 17741 48 1 8 "Average Difference" HN 96 0.452 -0.054 0.451 17741 49 1 9 "Average Difference" N 96 1.998 0.097 2.006 17741 50 1 9 "Average Difference" HA 105 0.270 -0.037 0.268 17741 51 1 9 "Average Difference" C 101 1.042 0.077 1.045 17741 52 1 9 "Average Difference" CA 101 1.089 0.026 1.094 17741 53 1 9 "Average Difference" CB 97 1.066 -0.326 1.020 17741 54 1 9 "Average Difference" HN 96 0.444 -0.037 0.445 17741 55 1 10 "Average Difference" N 96 2.004 -0.067 2.013 17741 56 1 10 "Average Difference" HA 105 0.282 -0.020 0.283 17741 57 1 10 "Average Difference" C 101 1.019 0.084 1.021 17741 58 1 10 "Average Difference" CA 101 0.972 0.017 0.976 17741 59 1 10 "Average Difference" CB 97 0.982 -0.290 0.943 17741 60 1 10 "Average Difference" HN 96 0.452 -0.024 0.453 17741 61 1 11 "Average Difference" N 96 1.896 -0.040 1.906 17741 62 1 11 "Average Difference" HA 105 0.264 -0.033 0.263 17741 63 1 11 "Average Difference" C 101 1.038 0.109 1.037 17741 64 1 11 "Average Difference" CA 101 1.047 0.023 1.052 17741 65 1 11 "Average Difference" CB 97 1.007 -0.333 0.956 17741 66 1 11 "Average Difference" HN 96 0.484 -0.030 0.485 17741 67 1 12 "Average Difference" N 96 1.970 0.051 1.980 17741 68 1 12 "Average Difference" HA 105 0.263 -0.031 0.262 17741 69 1 12 "Average Difference" C 101 1.017 0.047 1.021 17741 70 1 12 "Average Difference" CA 101 0.991 -0.028 0.996 17741 71 1 12 "Average Difference" CB 97 1.002 -0.337 0.949 17741 72 1 12 "Average Difference" HN 96 0.448 -0.011 0.450 17741 73 1 13 "Average Difference" N 96 1.966 -0.187 1.967 17741 74 1 13 "Average Difference" HA 105 0.271 -0.018 0.272 17741 75 1 13 "Average Difference" C 101 0.965 0.018 0.969 17741 76 1 13 "Average Difference" CA 101 1.028 -0.044 1.032 17741 77 1 13 "Average Difference" CB 97 1.021 -0.277 0.988 17741 78 1 13 "Average Difference" HN 96 0.466 -0.057 0.465 17741 79 1 14 "Average Difference" N 96 2.046 -0.031 2.057 17741 80 1 14 "Average Difference" HA 105 0.278 -0.031 0.278 17741 81 1 14 "Average Difference" C 101 0.988 0.050 0.992 17741 82 1 14 "Average Difference" CA 101 0.975 -0.043 0.978 17741 83 1 14 "Average Difference" CB 97 0.992 -0.357 0.930 17741 84 1 14 "Average Difference" HN 96 0.437 -0.006 0.439 17741 85 1 15 "Average Difference" N 96 2.200 -0.144 2.207 17741 86 1 15 "Average Difference" HA 105 0.271 -0.041 0.269 17741 87 1 15 "Average Difference" C 101 1.001 0.076 1.003 17741 88 1 15 "Average Difference" CA 101 1.067 -0.029 1.072 17741 89 1 15 "Average Difference" CB 97 0.997 -0.312 0.952 17741 90 1 15 "Average Difference" HN 96 0.474 -0.066 0.472 17741 91 1 16 "Average Difference" N 96 2.158 0.042 2.169 17741 92 1 16 "Average Difference" HA 105 0.283 -0.035 0.282 17741 93 1 16 "Average Difference" C 101 1.048 0.054 1.052 17741 94 1 16 "Average Difference" CA 101 1.027 0.024 1.032 17741 95 1 16 "Average Difference" CB 97 1.028 -0.325 0.980 17741 96 1 16 "Average Difference" HN 96 0.423 -0.005 0.425 17741 97 1 17 "Average Difference" N 96 2.172 0.046 2.183 17741 98 1 17 "Average Difference" HA 105 0.275 -0.034 0.274 17741 99 1 17 "Average Difference" C 101 1.004 0.109 1.003 17741 100 1 17 "Average Difference" CA 101 0.969 0.016 0.974 17741 101 1 17 "Average Difference" CB 97 1.044 -0.321 0.999 17741 102 1 17 "Average Difference" HN 96 0.466 0.001 0.468 17741 103 1 18 "Average Difference" N 96 2.025 -0.049 2.035 17741 104 1 18 "Average Difference" HA 105 0.260 -0.048 0.257 17741 105 1 18 "Average Difference" C 101 1.009 0.082 1.010 17741 106 1 18 "Average Difference" CA 101 1.015 -0.060 1.019 17741 107 1 18 "Average Difference" CB 97 1.041 -0.314 0.997 17741 108 1 18 "Average Difference" HN 96 0.497 -0.041 0.498 17741 109 1 19 "Average Difference" N 96 2.043 -0.102 2.051 17741 110 1 19 "Average Difference" HA 105 0.267 -0.034 0.266 17741 111 1 19 "Average Difference" C 101 1.021 0.064 1.024 17741 112 1 19 "Average Difference" CA 101 1.043 -0.047 1.047 17741 113 1 19 "Average Difference" CB 97 1.009 -0.298 0.969 17741 114 1 19 "Average Difference" HN 96 0.455 -0.049 0.455 17741 115 1 20 "Average Difference" N 96 2.055 -0.130 2.062 17741 116 1 20 "Average Difference" HA 105 0.264 -0.046 0.261 17741 117 1 20 "Average Difference" C 101 1.046 0.116 1.045 17741 118 1 20 "Average Difference" CA 101 1.068 0.084 1.070 17741 119 1 20 "Average Difference" CB 97 0.992 -0.363 0.928 17741 120 1 20 "Average Difference" HN 96 0.456 -0.047 0.456 17741 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 17741 _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 5 5 ARG N N 335 123.531 123.531 122.738 0.793 17741 2 1 . 1 1 5 5 ARG HA H 335 4.411 4.411 4.432 -0.021 17741 3 1 . 1 1 5 5 ARG C C 335 176.473 176.473 176.213 0.260 17741 4 1 . 1 1 5 5 ARG CA C 335 56.571 56.571 55.358 1.213 17741 5 1 . 1 1 5 5 ARG CB C 335 31.352 31.352 30.971 0.381 17741 6 1 . 1 1 5 5 ARG H H 335 9.347 9.347 8.469 0.878 17741 7 1 . 1 1 6 6 LEU N N 336 121.545 121.545 122.801 -1.256 17741 8 1 . 1 1 6 6 LEU HA H 336 4.293 4.293 4.345 -0.052 17741 9 1 . 1 1 6 6 LEU C C 336 178.837 178.837 177.754 1.083 17741 10 1 . 1 1 6 6 LEU CA C 336 54.652 54.652 55.122 -0.470 17741 11 1 . 1 1 6 6 LEU CB C 336 43.365 43.365 41.978 1.387 17741 12 1 . 1 1 6 6 LEU H H 336 8.556 8.556 8.335 0.221 17741 13 1 . 1 1 7 7 LEU HA H 337 3.441 3.441 2.909 0.531 17741 14 1 . 1 1 7 7 LEU C C 337 177.908 177.908 178.301 -0.393 17741 15 1 . 1 1 7 7 LEU CA C 337 58.771 58.771 58.529 0.242 17741 16 1 . 1 1 7 7 LEU CB C 337 40.192 40.192 41.685 -1.493 17741 17 1 . 1 1 8 8 TRP N N 338 114.624 114.624 116.826 -2.202 17741 18 1 . 1 1 8 8 TRP HA H 338 3.785 3.785 4.296 -0.511 17741 19 1 . 1 1 8 8 TRP C C 338 175.318 175.318 177.743 -2.425 17741 20 1 . 1 1 8 8 TRP CA C 338 59.891 59.891 59.744 0.146 17741 21 1 . 1 1 8 8 TRP CB C 338 28.359 28.359 28.116 0.243 17741 22 1 . 1 1 8 8 TRP H H 338 7.515 7.515 7.415 0.100 17741 23 1 . 1 1 9 9 ASP HA H 339 3.813 3.813 4.246 -0.433 17741 24 1 . 1 1 9 9 ASP C C 339 177.355 177.355 177.832 -0.477 17741 25 1 . 1 1 9 9 ASP CA C 339 56.291 56.291 56.677 -0.386 17741 26 1 . 1 1 9 9 ASP CB C 339 41.591 41.591 40.116 1.475 17741 27 1 . 1 1 10 10 TYR N N 340 120.906 120.906 120.556 0.350 17741 28 1 . 1 1 10 10 TYR HA H 340 3.897 3.897 4.055 -0.158 17741 29 1 . 1 1 10 10 TYR C C 340 177.011 177.011 177.429 -0.418 17741 30 1 . 1 1 10 10 TYR CA C 340 61.913 61.913 60.868 1.045 17741 31 1 . 1 1 10 10 TYR CB C 340 39.482 39.482 38.571 0.911 17741 32 1 . 1 1 10 10 TYR H H 340 8.005 8.005 7.991 0.014 17741 33 1 . 1 1 11 11 VAL N N 341 115.016 115.016 118.240 -3.224 17741 34 1 . 1 1 11 11 VAL HA H 341 2.992 2.992 3.173 -0.181 17741 35 1 . 1 1 11 11 VAL C C 341 176.751 176.751 177.071 -0.320 17741 36 1 . 1 1 11 11 VAL CA C 341 66.910 66.910 66.045 0.865 17741 37 1 . 1 1 11 11 VAL CB C 341 30.968 30.968 30.616 0.352 17741 38 1 . 1 1 11 11 VAL H H 341 8.287 8.287 7.903 0.384 17741 39 1 . 1 1 12 12 TYR N N 342 119.030 119.030 119.606 -0.576 17741 40 1 . 1 1 12 12 TYR HA H 342 3.641 3.641 3.875 -0.234 17741 41 1 . 1 1 12 12 TYR C C 342 178.659 178.659 177.864 0.795 17741 42 1 . 1 1 12 12 TYR CA C 342 63.010 63.010 62.449 0.561 17741 43 1 . 1 1 12 12 TYR CB C 342 38.212 38.212 37.529 0.683 17741 44 1 . 1 1 12 12 TYR H H 342 7.673 7.673 7.844 -0.171 17741 45 1 . 1 1 13 13 GLN N N 343 119.113 119.113 118.779 0.334 17741 46 1 . 1 1 13 13 GLN HA H 343 3.828 3.828 4.115 -0.287 17741 47 1 . 1 1 13 13 GLN C C 343 179.955 179.955 177.816 2.139 17741 48 1 . 1 1 13 13 GLN CA C 343 58.871 58.871 58.319 0.552 17741 49 1 . 1 1 13 13 GLN CB C 343 27.514 27.514 27.946 -0.432 17741 50 1 . 1 1 13 13 GLN H H 343 8.161 8.161 7.599 0.562 17741 51 1 . 1 1 14 14 LEU N N 344 121.401 121.401 119.250 2.151 17741 52 1 . 1 1 14 14 LEU HA H 344 3.611 3.611 3.975 -0.364 17741 53 1 . 1 1 14 14 LEU C C 344 179.789 179.789 179.173 0.616 17741 54 1 . 1 1 14 14 LEU CA C 344 58.043 58.043 56.798 1.245 17741 55 1 . 1 1 14 14 LEU CB C 344 41.598 41.598 41.408 0.190 17741 56 1 . 1 1 14 14 LEU H H 344 7.825 7.825 7.424 0.401 17741 57 1 . 1 1 15 15 LEU N N 345 116.853 116.853 118.491 -1.638 17741 58 1 . 1 1 15 15 LEU HA H 345 3.504 3.504 3.824 -0.320 17741 59 1 . 1 1 15 15 LEU C C 345 178.149 178.149 178.633 -0.484 17741 60 1 . 1 1 15 15 LEU CA C 345 56.473 56.473 56.477 -0.004 17741 61 1 . 1 1 15 15 LEU CB C 345 41.322 41.322 40.448 0.874 17741 62 1 . 1 1 15 15 LEU H H 345 7.503 7.503 8.222 -0.719 17741 63 1 . 1 1 16 16 SER N N 346 112.491 112.491 111.509 0.982 17741 64 1 . 1 1 16 16 SER HA H 346 4.522 4.522 4.616 -0.094 17741 65 1 . 1 1 16 16 SER C C 346 172.441 172.441 174.261 -1.820 17741 66 1 . 1 1 16 16 SER CA C 346 58.859 58.859 59.031 -0.172 17741 67 1 . 1 1 16 16 SER CB C 346 63.987 63.987 63.878 0.109 17741 68 1 . 1 1 16 16 SER H H 346 7.277 7.277 7.546 -0.270 17741 69 1 . 1 1 17 17 ASP N N 347 122.161 122.161 121.181 0.980 17741 70 1 . 1 1 17 17 ASP HA H 347 4.966 4.966 4.865 0.101 17741 71 1 . 1 1 17 17 ASP C C 347 175.692 175.692 176.466 -0.774 17741 72 1 . 1 1 17 17 ASP CA C 347 52.805 52.805 53.412 -0.607 17741 73 1 . 1 1 17 17 ASP CB C 347 43.392 43.392 43.140 0.252 17741 74 1 . 1 1 17 17 ASP H H 347 7.345 7.345 7.594 -0.249 17741 75 1 . 1 1 18 18 SER N N 348 120.164 120.164 122.214 -2.050 17741 76 1 . 1 1 18 18 SER HA H 348 4.356 4.356 4.281 0.075 17741 77 1 . 1 1 18 18 SER C C 348 176.200 176.200 176.089 0.111 17741 78 1 . 1 1 18 18 SER CA C 348 61.207 61.207 60.258 0.950 17741 79 1 . 1 1 18 18 SER CB C 348 63.226 63.226 63.219 0.007 17741 80 1 . 1 1 18 18 SER H H 348 8.686 8.686 8.882 -0.196 17741 81 1 . 1 1 19 19 ARG N N 349 122.701 122.701 121.050 1.651 17741 82 1 . 1 1 19 19 ARG HA H 349 4.105 4.105 3.955 0.150 17741 83 1 . 1 1 19 19 ARG C C 349 178.120 178.120 176.798 1.322 17741 84 1 . 1 1 19 19 ARG CA C 349 58.604 58.604 58.053 0.551 17741 85 1 . 1 1 19 19 ARG CB C 349 29.854 29.854 29.391 0.463 17741 86 1 . 1 1 19 19 ARG H H 349 8.597 8.597 8.000 0.597 17741 87 1 . 1 1 20 20 TYR N N 350 116.257 116.257 116.346 -0.089 17741 88 1 . 1 1 20 20 TYR HA H 350 4.884 4.884 4.671 0.213 17741 89 1 . 1 1 20 20 TYR C C 350 176.977 176.977 175.700 1.277 17741 90 1 . 1 1 20 20 TYR CA C 350 58.758 58.758 56.754 2.004 17741 91 1 . 1 1 20 20 TYR CB C 350 37.602 37.602 38.410 -0.808 17741 92 1 . 1 1 20 20 TYR H H 350 8.285 8.285 7.535 0.750 17741 93 1 . 1 1 21 21 GLU N N 351 120.807 120.807 120.926 -0.119 17741 94 1 . 1 1 21 21 GLU HA H 351 4.454 4.454 4.382 0.072 17741 95 1 . 1 1 21 21 GLU C C 351 176.277 176.277 177.355 -1.079 17741 96 1 . 1 1 21 21 GLU CA C 351 59.135 59.135 58.477 0.658 17741 97 1 . 1 1 21 21 GLU CB C 351 29.674 29.674 28.949 0.725 17741 98 1 . 1 1 21 21 GLU H H 351 7.527 7.527 7.677 -0.150 17741 99 1 . 1 1 22 22 ASN N N 352 114.501 114.501 115.979 -1.478 17741 100 1 . 1 1 22 22 ASN HA H 352 4.471 4.471 4.537 -0.066 17741 101 1 . 1 1 22 22 ASN C C 352 174.426 174.426 175.855 -1.428 17741 102 1 . 1 1 22 22 ASN CA C 352 54.002 54.002 54.572 -0.570 17741 103 1 . 1 1 22 22 ASN CB C 352 36.943 36.943 38.459 -1.516 17741 104 1 . 1 1 22 22 ASN H H 352 8.647 8.647 8.040 0.607 17741 105 1 . 1 1 23 23 PHE N N 353 115.528 115.528 116.065 -0.537 17741 106 1 . 1 1 23 23 PHE HA H 353 4.751 4.751 4.773 -0.022 17741 107 1 . 1 1 23 23 PHE C C 353 176.374 176.374 175.717 0.657 17741 108 1 . 1 1 23 23 PHE CA C 353 59.617 59.617 58.004 1.613 17741 109 1 . 1 1 23 23 PHE CB C 353 41.431 41.431 41.104 0.327 17741 110 1 . 1 1 23 23 PHE H H 353 8.578 8.578 7.745 0.833 17741 111 1 . 1 1 24 24 ILE N N 354 120.520 120.520 118.513 2.007 17741 112 1 . 1 1 24 24 ILE HA H 354 5.063 5.063 5.008 0.055 17741 113 1 . 1 1 24 24 ILE C C 354 170.331 170.331 172.929 -2.598 17741 114 1 . 1 1 24 24 ILE CA C 354 59.835 59.835 60.697 -0.862 17741 115 1 . 1 1 24 24 ILE CB C 354 40.605 40.605 41.870 -1.265 17741 116 1 . 1 1 24 24 ILE H H 354 8.436 8.436 8.498 -0.062 17741 117 1 . 1 1 25 25 ARG N N 355 121.401 121.401 121.110 0.291 17741 118 1 . 1 1 25 25 ARG HA H 355 4.916 4.916 4.809 0.107 17741 119 1 . 1 1 25 25 ARG C C 355 175.099 175.099 174.047 1.052 17741 120 1 . 1 1 25 25 ARG CA C 355 54.461 54.461 54.947 -0.486 17741 121 1 . 1 1 25 25 ARG CB C 355 33.662 33.662 33.604 0.058 17741 122 1 . 1 1 25 25 ARG H H 355 8.668 8.668 8.951 -0.283 17741 123 1 . 1 1 26 26 TRP N N 356 122.022 122.022 123.603 -1.581 17741 124 1 . 1 1 26 26 TRP HA H 356 4.894 4.894 4.878 0.016 17741 125 1 . 1 1 26 26 TRP C C 356 176.606 176.606 176.935 -0.329 17741 126 1 . 1 1 26 26 TRP CA C 356 57.835 57.835 57.641 0.194 17741 127 1 . 1 1 26 26 TRP CB C 356 30.564 30.564 29.642 0.922 17741 128 1 . 1 1 26 26 TRP H H 356 9.149 9.149 8.976 0.173 17741 129 1 . 1 1 27 27 GLU N N 357 125.415 125.415 124.537 0.878 17741 130 1 . 1 1 27 27 GLU HA H 357 4.686 4.686 4.451 0.235 17741 131 1 . 1 1 27 27 GLU C C 357 176.709 176.709 176.406 0.303 17741 132 1 . 1 1 27 27 GLU CA C 357 56.939 56.939 58.007 -1.068 17741 133 1 . 1 1 27 27 GLU CB C 357 31.545 31.545 30.935 0.610 17741 134 1 . 1 1 27 27 GLU H H 357 9.524 9.524 8.897 0.627 17741 135 1 . 1 1 28 28 ASP N N 358 116.214 116.214 120.112 -3.898 17741 136 1 . 1 1 28 28 ASP HA H 358 4.759 4.759 4.902 -0.143 17741 137 1 . 1 1 28 28 ASP C C 358 176.124 176.124 175.656 0.468 17741 138 1 . 1 1 28 28 ASP CA C 358 53.481 53.481 53.607 -0.126 17741 139 1 . 1 1 28 28 ASP CB C 358 41.921 41.921 42.163 -0.242 17741 140 1 . 1 1 28 28 ASP H H 358 7.828 7.828 8.339 -0.511 17741 141 1 . 1 1 29 29 LYS N N 359 127.750 127.750 124.919 2.831 17741 142 1 . 1 1 29 29 LYS HA H 359 3.162 3.162 2.864 0.298 17741 143 1 . 1 1 29 29 LYS C C 359 178.683 178.683 177.613 1.070 17741 144 1 . 1 1 29 29 LYS CA C 359 60.173 60.173 59.256 0.917 17741 145 1 . 1 1 29 29 LYS CB C 359 32.728 32.728 32.094 0.634 17741 146 1 . 1 1 29 29 LYS H H 359 9.221 9.221 8.604 0.618 17741 147 1 . 1 1 30 30 GLU N N 360 119.608 119.608 116.705 2.903 17741 148 1 . 1 1 30 30 GLU HA H 360 3.923 3.923 4.056 -0.133 17741 149 1 . 1 1 30 30 GLU C C 360 178.598 178.598 177.900 0.698 17741 150 1 . 1 1 30 30 GLU CA C 360 59.512 59.512 58.309 1.203 17741 151 1 . 1 1 30 30 GLU CB C 360 29.188 29.188 29.158 0.030 17741 152 1 . 1 1 30 30 GLU H H 360 8.343 8.343 8.527 -0.184 17741 153 1 . 1 1 31 31 SER N N 361 113.313 113.313 113.772 -0.459 17741 154 1 . 1 1 31 31 SER HA H 361 4.485 4.485 4.517 -0.032 17741 155 1 . 1 1 31 31 SER C C 361 172.284 172.284 173.567 -1.283 17741 156 1 . 1 1 31 31 SER CA C 361 58.745 58.745 58.404 0.341 17741 157 1 . 1 1 31 31 SER CB C 361 63.728 63.728 63.528 0.200 17741 158 1 . 1 1 31 31 SER H H 361 7.466 7.466 7.767 -0.301 17741 159 1 . 1 1 32 32 LYS N N 362 115.197 115.197 117.624 -2.427 17741 160 1 . 1 1 32 32 LYS HA H 362 3.894 3.894 3.856 0.038 17741 161 1 . 1 1 32 32 LYS C C 362 175.489 175.489 175.112 0.377 17741 162 1 . 1 1 32 32 LYS CA C 362 57.641 57.641 57.357 0.284 17741 163 1 . 1 1 32 32 LYS CB C 362 29.811 29.811 29.925 -0.114 17741 164 1 . 1 1 32 32 LYS H H 362 7.741 7.741 7.594 0.147 17741 165 1 . 1 1 33 33 ILE N N 363 118.359 118.359 119.414 -1.055 17741 166 1 . 1 1 33 33 ILE HA H 363 5.356 5.356 5.041 0.315 17741 167 1 . 1 1 33 33 ILE C C 363 177.019 177.019 175.666 1.353 17741 168 1 . 1 1 33 33 ILE CA C 363 60.455 60.455 61.019 -0.564 17741 169 1 . 1 1 33 33 ILE CB C 363 40.081 40.081 39.659 0.422 17741 170 1 . 1 1 33 33 ILE H H 363 8.268 8.268 8.363 -0.095 17741 171 1 . 1 1 34 34 PHE N N 364 128.287 128.287 125.571 2.716 17741 172 1 . 1 1 34 34 PHE HA H 364 5.576 5.576 5.709 -0.133 17741 173 1 . 1 1 34 34 PHE C C 364 170.447 170.447 172.946 -2.499 17741 174 1 . 1 1 34 34 PHE CA C 364 55.128 55.128 55.453 -0.325 17741 175 1 . 1 1 34 34 PHE CB C 364 44.010 44.010 42.958 1.052 17741 176 1 . 1 1 34 34 PHE H H 364 9.962 9.962 9.439 0.523 17741 177 1 . 1 1 35 35 ARG N N 365 120.900 120.900 121.965 -1.065 17741 178 1 . 1 1 35 35 ARG HA H 365 5.486 5.486 5.176 0.310 17741 179 1 . 1 1 35 35 ARG C C 365 176.462 176.462 175.412 1.050 17741 180 1 . 1 1 35 35 ARG CA C 365 53.609 53.609 53.782 -0.173 17741 181 1 . 1 1 35 35 ARG CB C 365 36.518 36.518 33.266 3.252 17741 182 1 . 1 1 35 35 ARG H H 365 9.427 9.427 9.335 0.092 17741 183 1 . 1 1 36 36 ILE N N 366 125.534 125.534 127.858 -2.324 17741 184 1 . 1 1 36 36 ILE HA H 366 4.209 4.209 4.193 0.016 17741 185 1 . 1 1 36 36 ILE C C 366 173.899 173.899 175.442 -1.543 17741 186 1 . 1 1 36 36 ILE CA C 366 63.033 63.033 62.616 0.417 17741 187 1 . 1 1 36 36 ILE CB C 366 37.889 37.889 37.763 0.126 17741 188 1 . 1 1 36 36 ILE H H 366 8.643 8.643 9.070 -0.427 17741 189 1 . 1 1 37 37 VAL N N 367 129.194 129.194 127.848 1.346 17741 190 1 . 1 1 37 37 VAL HA H 367 3.679 3.679 3.957 -0.278 17741 191 1 . 1 1 37 37 VAL C C 367 175.919 175.919 176.237 -0.318 17741 192 1 . 1 1 37 37 VAL CA C 367 64.068 64.068 64.273 -0.205 17741 193 1 . 1 1 37 37 VAL CB C 367 32.884 32.884 32.350 0.534 17741 194 1 . 1 1 37 37 VAL H H 367 7.841 7.841 8.414 -0.573 17741 195 1 . 1 1 38 38 ASP N N 368 114.969 114.969 117.711 -2.742 17741 196 1 . 1 1 38 38 ASP HA H 368 5.222 5.222 5.060 0.162 17741 197 1 . 1 1 38 38 ASP C C 368 173.227 173.227 174.552 -1.325 17741 198 1 . 1 1 38 38 ASP CA C 368 50.238 50.238 51.208 -0.970 17741 199 1 . 1 1 38 38 ASP CB C 368 42.181 42.181 42.602 -0.421 17741 200 1 . 1 1 38 38 ASP H H 368 7.316 7.316 8.066 -0.750 17741 201 1 . 1 1 39 39 PRO HA H 369 3.809 3.809 4.109 -0.300 17741 202 1 . 1 1 39 39 PRO C C 369 177.958 177.958 178.412 -0.454 17741 203 1 . 1 1 39 39 PRO CA C 369 65.612 65.612 65.061 0.551 17741 204 1 . 1 1 39 39 PRO CB C 369 31.068 31.068 31.779 -0.711 17741 205 1 . 1 1 40 40 ASN N N 370 115.480 115.480 117.379 -1.899 17741 206 1 . 1 1 40 40 ASN HA H 370 4.604 4.604 4.491 0.113 17741 207 1 . 1 1 40 40 ASN C C 370 178.566 178.566 177.670 0.896 17741 208 1 . 1 1 40 40 ASN CA C 370 56.471 56.471 56.448 0.023 17741 209 1 . 1 1 40 40 ASN CB C 370 38.068 38.068 38.222 -0.154 17741 210 1 . 1 1 40 40 ASN H H 370 8.094 8.094 8.149 -0.055 17741 211 1 . 1 1 41 41 GLY N N 371 111.371 111.371 107.881 3.490 17741 212 1 . 1 1 41 41 GLY C C 371 176.018 176.018 175.649 0.369 17741 213 1 . 1 1 41 41 GLY CA C 371 47.862 47.862 46.212 1.650 17741 214 1 . 1 1 41 41 GLY H H 371 8.632 8.632 8.893 -0.261 17741 215 1 . 1 1 42 42 LEU N N 372 122.901 122.901 122.352 0.549 17741 216 1 . 1 1 42 42 LEU HA H 372 4.035 4.035 4.211 -0.176 17741 217 1 . 1 1 42 42 LEU C C 372 177.704 177.704 178.568 -0.864 17741 218 1 . 1 1 42 42 LEU CA C 372 57.913 57.913 56.993 0.920 17741 219 1 . 1 1 42 42 LEU CB C 372 42.136 42.136 41.311 0.826 17741 220 1 . 1 1 42 42 LEU H H 372 8.876 8.876 7.867 1.009 17741 221 1 . 1 1 43 43 ALA N N 373 120.103 120.103 121.871 -1.768 17741 222 1 . 1 1 43 43 ALA HA H 373 4.462 4.462 4.203 0.259 17741 223 1 . 1 1 43 43 ALA C C 373 179.091 179.091 179.083 0.008 17741 224 1 . 1 1 43 43 ALA CA C 373 55.441 55.441 55.349 0.092 17741 225 1 . 1 1 43 43 ALA CB C 373 18.098 18.098 18.567 -0.470 17741 226 1 . 1 1 43 43 ALA H H 373 8.062 8.062 8.608 -0.546 17741 227 1 . 1 1 44 44 ARG N N 374 118.071 118.071 118.840 -0.769 17741 228 1 . 1 1 44 44 ARG HA H 374 4.117 4.117 4.087 0.030 17741 229 1 . 1 1 44 44 ARG C C 374 179.414 179.414 178.331 1.083 17741 230 1 . 1 1 44 44 ARG CA C 374 59.297 59.297 59.015 0.282 17741 231 1 . 1 1 44 44 ARG CB C 374 30.069 30.069 29.752 0.317 17741 232 1 . 1 1 44 44 ARG H H 374 7.725 7.725 7.706 0.019 17741 233 1 . 1 1 45 45 LEU N N 375 121.601 121.601 121.433 0.168 17741 234 1 . 1 1 45 45 LEU HA H 375 4.015 4.015 4.200 -0.185 17741 235 1 . 1 1 45 45 LEU C C 375 180.087 180.087 178.863 1.224 17741 236 1 . 1 1 45 45 LEU CA C 375 58.553 58.553 58.102 0.451 17741 237 1 . 1 1 45 45 LEU CB C 375 41.495 41.495 41.363 0.132 17741 238 1 . 1 1 45 45 LEU H H 375 7.877 7.877 7.535 0.342 17741 239 1 . 1 1 46 46 TRP N N 376 121.543 121.543 121.160 0.383 17741 240 1 . 1 1 46 46 TRP HA H 376 4.333 4.333 3.906 0.427 17741 241 1 . 1 1 46 46 TRP C C 376 177.572 177.572 178.422 -0.850 17741 242 1 . 1 1 46 46 TRP CA C 376 59.091 59.091 59.375 -0.284 17741 243 1 . 1 1 46 46 TRP CB C 376 30.305 30.305 29.671 0.634 17741 244 1 . 1 1 46 46 TRP H H 376 8.615 8.615 8.540 0.075 17741 245 1 . 1 1 47 47 GLY N N 377 105.532 105.532 105.665 -0.133 17741 246 1 . 1 1 47 47 GLY C C 377 176.057 176.057 176.030 0.027 17741 247 1 . 1 1 47 47 GLY CA C 377 48.035 48.035 46.912 1.123 17741 248 1 . 1 1 47 47 GLY H H 377 8.877 8.877 8.874 0.003 17741 249 1 . 1 1 48 48 ASN N N 378 119.996 119.996 120.382 -0.386 17741 250 1 . 1 1 48 48 ASN HA H 378 4.403 4.403 4.437 -0.034 17741 251 1 . 1 1 48 48 ASN C C 378 178.112 178.112 177.267 0.845 17741 252 1 . 1 1 48 48 ASN CA C 378 56.229 56.229 56.017 0.212 17741 253 1 . 1 1 48 48 ASN CB C 378 38.272 38.272 38.424 -0.152 17741 254 1 . 1 1 48 48 ASN H H 378 8.176 8.176 8.066 0.110 17741 255 1 . 1 1 49 49 HIS N N 379 121.459 121.459 119.178 2.281 17741 256 1 . 1 1 49 49 HIS HA H 379 4.129 4.129 4.302 -0.173 17741 257 1 . 1 1 49 49 HIS C C 379 175.858 175.858 176.291 -0.433 17741 258 1 . 1 1 49 49 HIS CA C 379 59.234 59.234 58.682 0.552 17741 259 1 . 1 1 49 49 HIS CB C 379 29.473 29.473 29.805 -0.332 17741 260 1 . 1 1 49 49 HIS H H 379 8.138 8.138 8.270 -0.132 17741 261 1 . 1 1 50 50 LYS N N 380 115.130 115.130 115.607 -0.477 17741 262 1 . 1 1 50 50 LYS HA H 380 3.797 3.797 4.001 -0.204 17741 263 1 . 1 1 50 50 LYS C C 380 175.468 175.468 175.502 -0.034 17741 264 1 . 1 1 50 50 LYS CA C 380 54.085 54.085 55.825 -1.740 17741 265 1 . 1 1 50 50 LYS CB C 380 30.887 30.887 32.647 -1.761 17741 266 1 . 1 1 50 50 LYS H H 380 7.552 7.552 7.559 -0.007 17741 267 1 . 1 1 51 51 ASN N N 381 116.632 116.632 115.491 1.141 17741 268 1 . 1 1 51 51 ASN HA H 381 4.264 4.264 4.282 -0.018 17741 269 1 . 1 1 51 51 ASN C C 381 174.332 174.332 173.900 0.432 17741 270 1 . 1 1 51 51 ASN CA C 381 54.189 54.189 54.086 0.103 17741 271 1 . 1 1 51 51 ASN CB C 381 37.343 37.343 37.255 0.087 17741 272 1 . 1 1 51 51 ASN H H 381 7.715 7.715 7.740 -0.025 17741 273 1 . 1 1 52 52 ARG N N 382 117.701 117.701 118.505 -0.804 17741 274 1 . 1 1 52 52 ARG HA H 382 4.583 4.583 4.648 -0.065 17741 275 1 . 1 1 52 52 ARG C C 382 176.172 176.172 176.167 0.005 17741 276 1 . 1 1 52 52 ARG CA C 382 54.167 54.167 53.992 0.175 17741 277 1 . 1 1 52 52 ARG CB C 382 31.882 31.882 31.479 0.403 17741 278 1 . 1 1 52 52 ARG H H 382 8.465 8.465 8.097 0.368 17741 279 1 . 1 1 53 53 THR N N 383 114.338 114.338 117.999 -3.661 17741 280 1 . 1 1 53 53 THR HA H 383 4.208 4.208 4.185 0.023 17741 281 1 . 1 1 53 53 THR C C 383 174.496 174.496 175.162 -0.666 17741 282 1 . 1 1 53 53 THR CA C 383 62.345 62.345 64.401 -2.056 17741 283 1 . 1 1 53 53 THR CB C 383 69.699 69.699 69.098 0.601 17741 284 1 . 1 1 53 53 THR H H 383 8.274 8.274 8.548 -0.274 17741 285 1 . 1 1 54 54 ASN N N 384 119.031 119.031 119.207 -0.176 17741 286 1 . 1 1 54 54 ASN HA H 384 4.607 4.607 4.757 -0.150 17741 287 1 . 1 1 54 54 ASN C C 384 174.829 174.829 173.952 0.877 17741 288 1 . 1 1 54 54 ASN CA C 384 53.155 53.155 52.899 0.256 17741 289 1 . 1 1 54 54 ASN CB C 384 37.871 37.871 38.143 -0.272 17741 290 1 . 1 1 54 54 ASN H H 384 8.457 8.457 8.296 0.161 17741 291 1 . 1 1 55 55 MET N N 385 119.922 119.922 120.324 -0.402 17741 292 1 . 1 1 55 55 MET HA H 385 4.558 4.558 4.549 0.009 17741 293 1 . 1 1 55 55 MET C C 385 174.921 174.921 174.811 0.110 17741 294 1 . 1 1 55 55 MET CA C 385 55.271 55.271 55.042 0.229 17741 295 1 . 1 1 55 55 MET CB C 385 30.991 30.991 33.337 -2.346 17741 296 1 . 1 1 55 55 MET H H 385 8.073 8.073 7.483 0.590 17741 297 1 . 1 1 56 56 THR N N 386 113.771 113.771 115.964 -2.193 17741 298 1 . 1 1 56 56 THR HA H 386 4.693 4.693 4.616 0.077 17741 299 1 . 1 1 56 56 THR C C 386 175.459 175.459 174.558 0.901 17741 300 1 . 1 1 56 56 THR CA C 386 59.043 59.043 59.726 -0.683 17741 301 1 . 1 1 56 56 THR CB C 386 72.393 72.393 71.770 0.623 17741 302 1 . 1 1 56 56 THR H H 386 7.076 7.076 7.985 -0.909 17741 303 1 . 1 1 57 57 TYR N N 387 123.521 123.521 122.071 1.450 17741 304 1 . 1 1 57 57 TYR HA H 387 4.127 4.127 4.226 -0.099 17741 305 1 . 1 1 57 57 TYR C C 387 177.432 177.432 177.106 0.326 17741 306 1 . 1 1 57 57 TYR CA C 387 62.527 62.527 61.400 1.127 17741 307 1 . 1 1 57 57 TYR CB C 387 37.289 37.289 38.776 -1.487 17741 308 1 . 1 1 57 57 TYR H H 387 9.726 9.726 8.959 0.767 17741 309 1 . 1 1 58 58 GLU N N 388 121.083 121.083 119.832 1.251 17741 310 1 . 1 1 58 58 GLU HA H 388 3.825 3.825 3.815 0.010 17741 311 1 . 1 1 58 58 GLU C C 388 179.225 179.225 178.830 0.395 17741 312 1 . 1 1 58 58 GLU CA C 388 60.476 60.476 59.864 0.612 17741 313 1 . 1 1 58 58 GLU CB C 388 29.087 29.087 29.058 0.029 17741 314 1 . 1 1 58 58 GLU H H 388 8.843 8.843 8.362 0.481 17741 315 1 . 1 1 59 59 LYS N N 389 119.209 119.209 118.799 0.410 17741 316 1 . 1 1 59 59 LYS HA H 389 3.971 3.971 4.005 -0.034 17741 317 1 . 1 1 59 59 LYS C C 389 179.944 179.944 179.039 0.905 17741 318 1 . 1 1 59 59 LYS CA C 389 59.897 59.897 58.851 1.046 17741 319 1 . 1 1 59 59 LYS CB C 389 33.359 33.359 32.064 1.295 17741 320 1 . 1 1 59 59 LYS H H 389 7.605 7.605 7.523 0.082 17741 321 1 . 1 1 60 60 MET N N 390 122.401 122.401 120.319 2.082 17741 322 1 . 1 1 60 60 MET HA H 390 3.944 3.944 3.926 0.018 17741 323 1 . 1 1 60 60 MET C C 390 177.716 177.716 177.232 0.484 17741 324 1 . 1 1 60 60 MET CA C 390 59.547 59.547 58.956 0.591 17741 325 1 . 1 1 60 60 MET CB C 390 33.315 33.315 32.369 0.946 17741 326 1 . 1 1 60 60 MET H H 390 8.229 8.229 7.634 0.595 17741 327 1 . 1 1 61 61 SER N N 391 114.652 114.652 114.864 -0.211 17741 328 1 . 1 1 61 61 SER HA H 391 3.771 3.771 3.762 0.009 17741 329 1 . 1 1 61 61 SER C C 391 176.449 176.449 176.293 0.156 17741 330 1 . 1 1 61 61 SER CA C 391 61.554 61.554 61.391 0.163 17741 331 1 . 1 1 61 61 SER CB C 391 62.278 62.278 62.605 -0.327 17741 332 1 . 1 1 61 61 SER H H 391 8.829 8.829 8.222 0.607 17741 333 1 . 1 1 62 62 ARG N N 392 122.213 122.213 120.981 1.232 17741 334 1 . 1 1 62 62 ARG HA H 392 3.945 3.945 3.867 0.078 17741 335 1 . 1 1 62 62 ARG C C 392 178.600 178.600 178.137 0.463 17741 336 1 . 1 1 62 62 ARG CA C 392 59.571 59.571 58.616 0.955 17741 337 1 . 1 1 62 62 ARG CB C 392 29.914 29.914 29.144 0.770 17741 338 1 . 1 1 62 62 ARG H H 392 7.413 7.413 7.933 -0.520 17741 339 1 . 1 1 63 63 ALA N N 393 122.327 122.327 121.905 0.422 17741 340 1 . 1 1 63 63 ALA HA H 393 4.157 4.157 3.769 0.388 17741 341 1 . 1 1 63 63 ALA C C 393 180.147 180.147 179.103 1.044 17741 342 1 . 1 1 63 63 ALA CA C 393 54.749 54.749 54.458 0.291 17741 343 1 . 1 1 63 63 ALA CB C 393 18.529 18.529 17.877 0.652 17741 344 1 . 1 1 63 63 ALA H H 393 7.256 7.256 7.317 -0.061 17741 345 1 . 1 1 64 64 LEU N N 394 117.582 117.582 118.167 -0.585 17741 346 1 . 1 1 64 64 LEU HA H 394 3.769 3.769 3.455 0.314 17741 347 1 . 1 1 64 64 LEU C C 394 178.139 178.139 178.690 -0.551 17741 348 1 . 1 1 64 64 LEU CA C 394 58.012 58.012 57.304 0.708 17741 349 1 . 1 1 64 64 LEU CB C 394 41.396 41.396 41.149 0.247 17741 350 1 . 1 1 64 64 LEU H H 394 7.768 7.768 7.650 0.118 17741 351 1 . 1 1 65 65 ARG N N 395 116.204 116.204 116.652 -0.448 17741 352 1 . 1 1 65 65 ARG HA H 395 3.445 3.445 3.297 0.148 17741 353 1 . 1 1 65 65 ARG C C 395 179.423 179.423 179.207 0.216 17741 354 1 . 1 1 65 65 ARG CA C 395 58.829 58.829 58.290 0.539 17741 355 1 . 1 1 65 65 ARG CB C 395 29.776 29.776 29.247 0.529 17741 356 1 . 1 1 65 65 ARG H H 395 7.595 7.595 8.186 -0.591 17741 357 1 . 1 1 66 66 HIS N N 396 118.573 118.573 120.347 -1.774 17741 358 1 . 1 1 66 66 HIS HA H 396 4.401 4.401 4.373 0.028 17741 359 1 . 1 1 66 66 HIS C C 396 177.218 177.218 177.478 -0.260 17741 360 1 . 1 1 66 66 HIS CA C 396 58.821 58.821 58.987 -0.166 17741 361 1 . 1 1 66 66 HIS CB C 396 29.753 29.753 29.708 0.046 17741 362 1 . 1 1 66 66 HIS H H 396 7.362 7.362 7.587 -0.225 17741 363 1 . 1 1 67 67 TYR N N 397 115.773 115.773 119.143 -3.370 17741 364 1 . 1 1 67 67 TYR HA H 397 4.259 4.259 4.076 0.183 17741 365 1 . 1 1 67 67 TYR C C 397 178.802 178.802 178.201 0.601 17741 366 1 . 1 1 67 67 TYR CA C 397 60.329 60.329 59.616 0.712 17741 367 1 . 1 1 67 67 TYR CB C 397 37.379 37.379 36.729 0.650 17741 368 1 . 1 1 67 67 TYR H H 397 7.568 7.568 7.894 -0.326 17741 369 1 . 1 1 68 68 TYR N N 398 121.825 121.825 118.188 3.637 17741 370 1 . 1 1 68 68 TYR HA H 398 5.413 5.413 4.790 0.623 17741 371 1 . 1 1 68 68 TYR C C 398 181.169 181.169 178.840 2.329 17741 372 1 . 1 1 68 68 TYR CA C 398 57.775 57.775 59.276 -1.501 17741 373 1 . 1 1 68 68 TYR CB C 398 36.972 36.972 37.210 -0.238 17741 374 1 . 1 1 68 68 TYR H H 398 8.116 8.116 7.539 0.577 17741 375 1 . 1 1 69 69 LYS N N 399 120.934 120.934 118.575 2.359 17741 376 1 . 1 1 69 69 LYS HA H 399 4.127 4.127 4.145 -0.018 17741 377 1 . 1 1 69 69 LYS C C 399 177.928 177.928 177.861 0.067 17741 378 1 . 1 1 69 69 LYS CA C 399 58.912 58.912 58.984 -0.072 17741 379 1 . 1 1 69 69 LYS CB C 399 32.188 32.188 32.145 0.042 17741 380 1 . 1 1 69 69 LYS H H 399 7.771 7.771 7.983 -0.212 17741 381 1 . 1 1 70 70 LEU N N 400 116.022 116.022 117.188 -1.166 17741 382 1 . 1 1 70 70 LEU HA H 400 4.291 4.291 4.323 -0.032 17741 383 1 . 1 1 70 70 LEU C C 400 175.827 175.827 176.202 -0.375 17741 384 1 . 1 1 70 70 LEU CA C 400 54.675 54.675 54.394 0.281 17741 385 1 . 1 1 70 70 LEU CB C 400 43.081 43.081 40.925 2.156 17741 386 1 . 1 1 70 70 LEU H H 400 7.144 7.144 7.513 -0.369 17741 387 1 . 1 1 71 71 ASN N N 401 115.201 115.201 114.595 0.606 17741 388 1 . 1 1 71 71 ASN HA H 401 4.352 4.352 4.382 -0.030 17741 389 1 . 1 1 71 71 ASN C C 401 173.517 173.517 174.653 -1.136 17741 390 1 . 1 1 71 71 ASN CA C 401 54.602 54.602 54.837 -0.235 17741 391 1 . 1 1 71 71 ASN CB C 401 37.381 37.381 36.961 0.420 17741 392 1 . 1 1 71 71 ASN H H 401 8.047 8.047 7.703 0.344 17741 393 1 . 1 1 72 72 ILE N N 402 113.907 113.907 115.843 -1.935 17741 394 1 . 1 1 72 72 ILE HA H 402 4.059 4.059 4.029 0.030 17741 395 1 . 1 1 72 72 ILE C C 402 176.279 176.279 175.482 0.797 17741 396 1 . 1 1 72 72 ILE CA C 402 63.797 63.797 62.665 1.132 17741 397 1 . 1 1 72 72 ILE CB C 402 40.395 40.395 39.858 0.537 17741 398 1 . 1 1 72 72 ILE H H 402 7.986 7.986 8.427 -0.441 17741 399 1 . 1 1 73 73 ILE N N 403 116.766 116.766 115.847 0.919 17741 400 1 . 1 1 73 73 ILE HA H 403 5.042 5.042 4.679 0.363 17741 401 1 . 1 1 73 73 ILE C C 403 173.945 173.945 174.257 -0.312 17741 402 1 . 1 1 73 73 ILE CA C 403 59.247 59.247 59.342 -0.095 17741 403 1 . 1 1 73 73 ILE CB C 403 43.414 43.414 42.079 1.335 17741 404 1 . 1 1 73 73 ILE H H 403 7.042 7.042 7.217 -0.175 17741 405 1 . 1 1 74 74 ARG N N 404 123.256 123.256 121.544 1.712 17741 406 1 . 1 1 74 74 ARG HA H 404 4.751 4.751 4.535 0.216 17741 407 1 . 1 1 74 74 ARG C C 404 174.757 174.757 173.807 0.950 17741 408 1 . 1 1 74 74 ARG CA C 404 54.274 54.274 54.411 -0.137 17741 409 1 . 1 1 74 74 ARG CB C 404 34.492 34.492 33.839 0.653 17741 410 1 . 1 1 74 74 ARG H H 404 8.931 8.931 9.173 -0.242 17741 411 1 . 1 1 75 75 LYS N N 405 125.627 125.627 121.519 4.108 17741 412 1 . 1 1 75 75 LYS HA H 405 4.076 4.076 4.392 -0.316 17741 413 1 . 1 1 75 75 LYS C C 405 176.481 176.481 176.067 0.414 17741 414 1 . 1 1 75 75 LYS CA C 405 56.446 56.446 53.965 2.482 17741 415 1 . 1 1 75 75 LYS CB C 405 32.758 32.758 33.681 -0.923 17741 416 1 . 1 1 75 75 LYS H H 405 8.294 8.294 8.111 0.183 17741 417 1 . 1 1 76 76 GLU N N 406 128.187 128.187 125.705 2.482 17741 418 1 . 1 1 76 76 GLU HA H 406 4.447 4.447 4.506 -0.059 17741 419 1 . 1 1 76 76 GLU C C 406 174.401 174.401 175.030 -0.629 17741 420 1 . 1 1 76 76 GLU CA C 406 53.751 53.751 53.413 0.338 17741 421 1 . 1 1 76 76 GLU CB C 406 29.951 29.951 28.334 1.617 17741 422 1 . 1 1 76 76 GLU H H 406 8.016 8.016 8.065 -0.049 17741 423 1 . 1 1 77 77 PRO HA H 407 4.288 4.288 4.336 -0.048 17741 424 1 . 1 1 77 77 PRO C C 407 177.654 177.654 177.036 0.618 17741 425 1 . 1 1 77 77 PRO CA C 407 63.433 63.433 63.125 0.308 17741 426 1 . 1 1 77 77 PRO CB C 407 32.152 32.152 31.051 1.101 17741 427 1 . 1 1 78 78 GLY N N 408 109.679 109.679 113.663 -3.984 17741 428 1 . 1 1 78 78 GLY C C 408 173.976 173.976 174.263 -0.287 17741 429 1 . 1 1 78 78 GLY CA C 408 45.539 45.539 44.872 0.667 17741 430 1 . 1 1 78 78 GLY H H 408 8.514 8.514 8.530 -0.016 17741 431 1 . 1 1 79 79 GLN N N 409 116.897 116.897 119.809 -2.912 17741 432 1 . 1 1 79 79 GLN HA H 409 4.489 4.489 4.427 0.062 17741 433 1 . 1 1 79 79 GLN C C 409 175.371 175.371 175.590 -0.219 17741 434 1 . 1 1 79 79 GLN CA C 409 54.472 54.472 55.102 -0.630 17741 435 1 . 1 1 79 79 GLN CB C 409 31.301 31.301 29.805 1.496 17741 436 1 . 1 1 79 79 GLN H H 409 7.572 7.572 8.391 -0.819 17741 437 1 . 1 1 80 80 ARG N N 410 120.458 120.458 119.570 0.888 17741 438 1 . 1 1 80 80 ARG HA H 410 4.275 4.275 4.266 0.009 17741 439 1 . 1 1 80 80 ARG C C 410 176.227 176.227 177.169 -0.942 17741 440 1 . 1 1 80 80 ARG CA C 410 56.891 56.891 57.836 -0.945 17741 441 1 . 1 1 80 80 ARG CB C 410 31.475 31.475 30.176 1.299 17741 442 1 . 1 1 80 80 ARG H H 410 8.254 8.254 8.544 -0.290 17741 443 1 . 1 1 81 81 LEU N N 411 119.424 119.424 120.645 -1.221 17741 444 1 . 1 1 81 81 LEU HA H 411 4.048 4.048 4.561 -0.513 17741 445 1 . 1 1 81 81 LEU C C 411 173.277 173.277 175.192 -1.915 17741 446 1 . 1 1 81 81 LEU CA C 411 55.111 55.111 53.690 1.421 17741 447 1 . 1 1 81 81 LEU CB C 411 40.298 40.298 41.717 -1.419 17741 448 1 . 1 1 81 81 LEU H H 411 8.467 8.467 7.961 0.506 17741 449 1 . 1 1 82 82 LEU N N 412 119.126 119.126 121.848 -2.722 17741 450 1 . 1 1 82 82 LEU HA H 412 5.036 5.036 4.758 0.278 17741 451 1 . 1 1 82 82 LEU C C 412 175.323 175.323 174.594 0.729 17741 452 1 . 1 1 82 82 LEU CA C 412 53.175 53.175 53.537 -0.362 17741 453 1 . 1 1 82 82 LEU CB C 412 45.482 45.482 43.140 2.342 17741 454 1 . 1 1 82 82 LEU H H 412 6.769 6.769 7.182 -0.413 17741 455 1 . 1 1 83 83 PHE N N 413 122.107 122.107 123.729 -1.622 17741 456 1 . 1 1 83 83 PHE HA H 413 4.848 4.848 4.910 -0.062 17741 457 1 . 1 1 83 83 PHE C C 413 172.764 172.764 173.617 -0.853 17741 458 1 . 1 1 83 83 PHE CA C 413 55.848 55.848 56.189 -0.341 17741 459 1 . 1 1 83 83 PHE CB C 413 44.675 44.675 42.934 1.741 17741 460 1 . 1 1 83 83 PHE H H 413 8.648 8.648 9.021 -0.373 17741 461 1 . 1 1 84 84 ARG N N 414 119.466 119.466 121.987 -2.521 17741 462 1 . 1 1 84 84 ARG HA H 414 5.578 5.578 5.281 0.297 17741 463 1 . 1 1 84 84 ARG C C 414 177.476 177.476 175.220 2.256 17741 464 1 . 1 1 84 84 ARG CA C 414 54.198 54.198 54.204 -0.006 17741 465 1 . 1 1 84 84 ARG CB C 414 36.128 36.128 33.612 2.516 17741 466 1 . 1 1 84 84 ARG H H 414 9.117 9.117 8.690 0.427 17741 467 1 . 1 1 85 85 PHE N N 415 124.357 124.357 127.412 -3.055 17741 468 1 . 1 1 85 85 PHE HA H 415 5.037 5.037 4.754 0.283 17741 469 1 . 1 1 85 85 PHE C C 415 176.084 176.084 176.196 -0.112 17741 470 1 . 1 1 85 85 PHE CA C 415 59.719 59.719 60.209 -0.490 17741 471 1 . 1 1 85 85 PHE CB C 415 40.812 40.812 39.174 1.638 17741 472 1 . 1 1 85 85 PHE H H 415 8.984 8.984 9.543 -0.559 17741 473 1 . 1 1 86 86 MET N N 416 121.301 121.301 123.703 -2.402 17741 474 1 . 1 1 86 86 MET HA H 416 4.670 4.670 4.229 0.441 17741 475 1 . 1 1 86 86 MET C C 416 176.543 176.543 176.641 -0.098 17741 476 1 . 1 1 86 86 MET CA C 416 54.863 54.863 57.846 -2.983 17741 477 1 . 1 1 86 86 MET CB C 416 31.711 31.711 32.660 -0.949 17741 478 1 . 1 1 86 86 MET H H 416 8.671 8.671 8.588 0.083 17741 479 1 . 1 1 87 87 LYS N N 417 117.759 117.759 115.950 1.809 17741 480 1 . 1 1 87 87 LYS HA H 417 4.856 4.856 4.679 0.177 17741 481 1 . 1 1 87 87 LYS C C 417 175.445 175.445 175.276 0.169 17741 482 1 . 1 1 87 87 LYS CA C 417 54.550 54.550 54.736 -0.186 17741 483 1 . 1 1 87 87 LYS CB C 417 37.828 37.828 36.366 1.462 17741 484 1 . 1 1 87 87 LYS H H 417 7.656 7.656 7.664 -0.008 17741 485 1 . 1 1 88 88 THR N N 418 112.506 112.506 111.691 0.815 17741 486 1 . 1 1 88 88 THR HA H 418 4.372 4.372 5.003 -0.631 17741 487 1 . 1 1 88 88 THR C C 418 173.594 173.594 173.696 -0.102 17741 488 1 . 1 1 88 88 THR CA C 418 59.640 59.640 58.664 0.976 17741 489 1 . 1 1 88 88 THR CB C 418 68.065 68.065 69.167 -1.102 17741 490 1 . 1 1 88 88 THR H H 418 8.685 8.685 8.503 0.182 17741 491 1 . 1 1 89 89 PRO HA H 419 3.748 3.748 3.968 -0.220 17741 492 1 . 1 1 89 89 PRO C C 419 177.219 177.219 178.580 -1.361 17741 493 1 . 1 1 89 89 PRO CA C 419 65.592 65.592 66.378 -0.786 17741 494 1 . 1 1 89 89 PRO CB C 419 31.739 31.739 31.766 -0.027 17741 495 1 . 1 1 90 90 ASP N N 420 114.631 114.631 115.429 -0.798 17741 496 1 . 1 1 90 90 ASP HA H 420 4.265 4.265 4.401 -0.136 17741 497 1 . 1 1 90 90 ASP C C 420 177.962 177.962 177.641 0.321 17741 498 1 . 1 1 90 90 ASP CA C 420 56.371 56.371 56.887 -0.516 17741 499 1 . 1 1 90 90 ASP CB C 420 40.662 40.662 40.653 0.009 17741 500 1 . 1 1 90 90 ASP H H 420 7.962 7.962 8.571 -0.609 17741 501 1 . 1 1 91 91 GLU N N 421 119.501 119.501 118.250 1.251 17741 502 1 . 1 1 91 91 GLU HA H 421 4.043 4.043 4.131 -0.088 17741 503 1 . 1 1 91 91 GLU C C 421 178.599 178.599 178.926 -0.327 17741 504 1 . 1 1 91 91 GLU CA C 421 58.113 58.113 58.523 -0.410 17741 505 1 . 1 1 91 91 GLU CB C 421 30.721 30.721 30.013 0.708 17741 506 1 . 1 1 91 91 GLU H H 421 7.661 7.661 7.785 -0.124 17741 507 1 . 1 1 92 92 ILE N N 422 120.594 120.594 120.656 -0.062 17741 508 1 . 1 1 92 92 ILE HA H 422 3.641 3.641 3.692 -0.051 17741 509 1 . 1 1 92 92 ILE C C 422 177.752 177.752 177.689 0.063 17741 510 1 . 1 1 92 92 ILE CA C 422 62.931 62.931 64.982 -2.051 17741 511 1 . 1 1 92 92 ILE CB C 422 38.185 38.185 37.902 0.283 17741 512 1 . 1 1 92 92 ILE H H 422 7.861 7.861 8.130 -0.269 17741 513 1 . 1 1 93 93 MET N N 423 119.187 119.187 116.195 2.992 17741 514 1 . 1 1 93 93 MET HA H 423 4.391 4.391 4.434 -0.043 17741 515 1 . 1 1 93 93 MET C C 423 176.982 176.982 176.847 0.135 17741 516 1 . 1 1 93 93 MET CA C 423 56.491 56.491 57.082 -0.591 17741 517 1 . 1 1 93 93 MET CB C 423 32.584 32.584 32.246 0.338 17741 518 1 . 1 1 93 93 MET H H 423 8.158 8.158 8.254 -0.096 17741 519 1 . 1 1 94 94 SER N N 424 114.933 114.933 114.110 0.823 17741 520 1 . 1 1 94 94 SER HA H 424 4.394 4.394 4.419 -0.025 17741 521 1 . 1 1 94 94 SER C C 424 175.238 175.238 175.067 0.171 17741 522 1 . 1 1 94 94 SER CA C 424 59.423 59.423 58.692 0.731 17741 523 1 . 1 1 94 94 SER CB C 424 63.695 63.695 62.788 0.907 17741 524 1 . 1 1 94 94 SER H H 424 7.854 7.854 7.639 0.215 17741 525 1 . 1 1 95 95 GLY N N 425 110.045 110.045 109.620 0.425 17741 526 1 . 1 1 95 95 GLY C C 425 174.194 174.194 175.647 -1.453 17741 527 1 . 1 1 95 95 GLY CA C 425 45.432 45.432 45.363 0.069 17741 528 1 . 1 1 95 95 GLY H H 425 8.061 8.061 7.864 0.197 17741 529 1 . 1 1 96 96 ARG N N 426 119.987 119.987 121.672 -1.685 17741 530 1 . 1 1 96 96 ARG HA H 426 4.475 4.475 4.182 0.293 17741 531 1 . 1 1 96 96 ARG C C 426 177.308 177.308 177.662 -0.354 17741 532 1 . 1 1 96 96 ARG CA C 426 56.195 56.195 58.355 -2.160 17741 533 1 . 1 1 96 96 ARG CB C 426 30.354 30.354 30.250 0.104 17741 534 1 . 1 1 96 96 ARG H H 426 8.092 8.092 7.932 0.160 17741 535 1 . 1 1 97 97 THR N N 427 114.398 114.398 111.948 2.450 17741 536 1 . 1 1 97 97 THR HA H 427 4.298 4.298 4.562 -0.264 17741 537 1 . 1 1 97 97 THR C C 427 174.913 174.913 174.803 0.110 17741 538 1 . 1 1 97 97 THR CA C 427 62.673 62.673 61.850 0.823 17741 539 1 . 1 1 97 97 THR CB C 427 69.473 69.473 68.956 0.517 17741 540 1 . 1 1 97 97 THR H H 427 8.319 8.319 7.704 0.615 17741 541 1 . 1 1 98 98 ASP N N 428 121.983 121.983 122.647 -0.664 17741 542 1 . 1 1 98 98 ASP HA H 428 4.508 4.508 4.606 -0.098 17741 543 1 . 1 1 98 98 ASP C C 428 176.956 176.956 177.503 -0.547 17741 544 1 . 1 1 98 98 ASP CA C 428 55.433 55.433 57.306 -1.873 17741 545 1 . 1 1 98 98 ASP CB C 428 40.746 40.746 41.039 -0.294 17741 546 1 . 1 1 98 98 ASP H H 428 8.488 8.488 8.171 0.317 17741 547 1 . 1 1 99 99 ARG N N 429 119.821 119.821 117.713 2.108 17741 548 1 . 1 1 99 99 ARG HA H 429 4.277 4.277 4.246 0.031 17741 549 1 . 1 1 99 99 ARG C C 429 177.078 177.078 178.745 -1.667 17741 550 1 . 1 1 99 99 ARG CA C 429 56.984 56.984 58.492 -1.508 17741 551 1 . 1 1 99 99 ARG CB C 429 30.224 30.224 30.293 -0.069 17741 552 1 . 1 1 99 99 ARG H H 429 8.088 8.088 7.961 0.127 17741 553 1 . 1 1 100 100 LEU N N 430 120.887 120.887 121.459 -0.572 17741 554 1 . 1 1 100 100 LEU HA H 430 4.176 4.176 4.233 -0.057 17741 555 1 . 1 1 100 100 LEU C C 430 177.732 177.732 178.595 -0.863 17741 556 1 . 1 1 100 100 LEU CA C 430 56.324 56.324 57.990 -1.666 17741 557 1 . 1 1 100 100 LEU CB C 430 42.262 42.262 41.948 0.314 17741 558 1 . 1 1 100 100 LEU H H 430 7.945 7.945 8.067 -0.122 17741 559 1 . 1 1 101 101 GLU N N 431 119.799 119.799 117.024 2.775 17741 560 1 . 1 1 101 101 GLU HA H 431 4.082 4.082 3.988 0.094 17741 561 1 . 1 1 101 101 GLU C C 431 177.281 177.281 178.031 -0.750 17741 562 1 . 1 1 101 101 GLU CA C 431 58.011 58.011 59.044 -1.033 17741 563 1 . 1 1 101 101 GLU CB C 431 30.191 30.191 29.405 0.786 17741 564 1 . 1 1 101 101 GLU H H 431 8.268 8.268 8.092 0.176 17741 565 1 . 1 1 102 102 HIS N N 432 118.048 118.048 115.365 2.683 17741 566 1 . 1 1 102 102 HIS HA H 432 4.584 4.584 4.511 0.073 17741 567 1 . 1 1 102 102 HIS C C 432 175.678 175.678 177.346 -1.668 17741 568 1 . 1 1 102 102 HIS CA C 432 56.571 56.571 58.461 -1.890 17741 569 1 . 1 1 102 102 HIS CB C 432 29.352 29.352 30.540 -1.187 17741 570 1 . 1 1 102 102 HIS H H 432 8.166 8.166 8.024 0.142 17741 571 1 . 1 1 103 103 LEU N N 433 122.228 122.228 118.415 3.813 17741 572 1 . 1 1 103 103 LEU HA H 433 4.176 4.176 4.359 -0.183 17741 573 1 . 1 1 103 103 LEU C C 433 177.904 177.904 178.718 -0.814 17741 574 1 . 1 1 103 103 LEU CA C 433 56.237 56.237 57.245 -1.008 17741 575 1 . 1 1 103 103 LEU CB C 433 42.305 42.305 42.017 0.288 17741 576 1 . 1 1 103 103 LEU H H 433 8.072 8.072 7.607 0.465 17741 577 1 . 1 1 104 104 GLU N N 434 119.413 119.413 118.342 1.071 17741 578 1 . 1 1 104 104 GLU HA H 434 4.309 4.309 4.266 0.043 17741 579 1 . 1 1 104 104 GLU C C 434 176.560 176.560 177.667 -1.107 17741 580 1 . 1 1 104 104 GLU CA C 434 57.098 57.098 57.410 -0.312 17741 581 1 . 1 1 104 104 GLU CB C 434 30.301 30.301 28.966 1.335 17741 582 1 . 1 1 104 104 GLU H H 434 8.331 8.331 8.352 -0.021 17741 583 1 . 1 1 105 105 SER N N 435 115.859 115.859 113.762 2.097 17741 584 1 . 1 1 105 105 SER HA H 435 4.443 4.443 4.297 0.146 17741 585 1 . 1 1 105 105 SER C C 435 173.630 173.630 174.559 -0.929 17741 586 1 . 1 1 105 105 SER CA C 435 58.591 58.591 59.401 -0.810 17741 587 1 . 1 1 105 105 SER CB C 435 64.066 64.066 63.400 0.666 17741 588 1 . 1 1 105 105 SER H H 435 7.976 7.976 7.742 0.234 17741 stop_ save_