data_25931 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25931 _Entry.PDB_ID 2NA8 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 25931 _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 1 431 431 LYS N N 431 121.472 121.472 122.479 -1.007 25931 2 1 1 . 1 1 431 431 LYS C C 431 176.470 176.470 176.676 -0.206 25931 3 1 1 . 1 1 431 431 LYS CA C 431 56.046 56.046 55.862 0.184 25931 4 1 1 . 1 1 431 431 LYS CB C 431 32.213 32.213 32.972 -0.759 25931 5 1 1 . 1 1 431 431 LYS H H 431 8.503 8.503 8.168 0.335 25931 6 1 1 . 1 1 432 432 ARG N N 432 122.845 122.845 121.750 1.095 25931 7 1 1 . 1 1 432 432 ARG C C 432 176.155 176.155 175.105 1.050 25931 8 1 1 . 1 1 432 432 ARG CA C 432 55.385 55.385 56.052 -0.667 25931 9 1 1 . 1 1 432 432 ARG CB C 432 29.615 29.615 29.824 -0.209 25931 10 1 1 . 1 1 432 432 ARG H H 432 8.403 8.403 7.809 0.594 25931 11 1 1 . 1 1 433 433 SER N N 433 117.709 117.709 117.153 0.556 25931 12 1 1 . 1 1 433 433 SER C C 433 174.350 174.350 174.942 -0.592 25931 13 1 1 . 1 1 433 433 SER CA C 433 57.970 57.970 59.065 -1.095 25931 14 1 1 . 1 1 433 433 SER CB C 433 63.389 63.389 62.250 1.139 25931 15 1 1 . 1 1 433 433 SER H H 433 8.219 8.219 8.446 -0.227 25931 16 1 1 . 1 1 434 434 TRP N N 434 122.436 122.436 126.590 -4.154 25931 17 1 1 . 1 1 434 434 TRP C C 434 175.682 175.682 177.607 -1.925 25931 18 1 1 . 1 1 434 434 TRP CA C 434 56.945 56.945 59.631 -2.686 25931 19 1 1 . 1 1 434 434 TRP CB C 434 28.749 28.749 29.492 -0.743 25931 20 1 1 . 1 1 434 434 TRP H H 434 8.143 8.143 8.187 -0.044 25931 21 1 1 . 1 1 435 435 ASP N N 435 119.681 119.681 116.312 3.369 25931 22 1 1 . 1 1 435 435 ASP C C 435 175.734 175.734 176.762 -1.028 25931 23 1 1 . 1 1 435 435 ASP CA C 435 53.097 53.097 56.564 -3.467 25931 24 1 1 . 1 1 435 435 ASP CB C 435 38.446 38.446 40.181 -1.735 25931 25 1 1 . 1 1 435 435 ASP H H 435 8.107 8.107 8.549 -0.442 25931 26 1 1 . 1 1 436 436 THR N N 436 113.878 113.878 115.825 -1.947 25931 27 1 1 . 1 1 436 436 THR C C 436 174.841 174.841 175.350 -0.509 25931 28 1 1 . 1 1 436 436 THR CA C 436 62.342 62.342 62.734 -0.392 25931 29 1 1 . 1 1 436 436 THR CB C 436 68.789 68.789 68.662 0.127 25931 30 1 1 . 1 1 436 436 THR H H 436 7.890 7.890 8.590 -0.700 25931 31 1 1 . 1 1 437 437 GLU N N 437 121.040 121.040 125.490 -4.450 25931 32 1 1 . 1 1 437 437 GLU C C 437 176.085 176.085 175.561 0.524 25931 33 1 1 . 1 1 437 437 GLU CA C 437 56.271 56.271 58.925 -2.655 25931 34 1 1 . 1 1 437 437 GLU CB C 437 27.760 27.760 30.061 -2.301 25931 35 1 1 . 1 1 437 437 GLU H H 437 8.178 8.178 8.671 -0.493 25931 36 1 1 . 1 1 438 438 SER N N 438 115.041 115.041 107.452 7.589 25931 37 1 1 . 1 1 438 438 SER C C 438 174.622 174.622 174.112 0.510 25931 38 1 1 . 1 1 438 438 SER CA C 438 58.337 58.337 57.448 0.889 25931 39 1 1 . 1 1 438 438 SER CB C 438 63.257 63.257 65.005 -1.748 25931 40 1 1 . 1 1 438 438 SER H H 438 8.014 8.014 7.275 0.739 25931 41 1 1 . 1 1 439 439 VAL N N 439 119.164 119.164 121.631 -2.467 25931 42 1 1 . 1 1 439 439 VAL C C 439 175.866 175.866 174.759 1.107 25931 43 1 1 . 1 1 439 439 VAL CA C 439 62.223 62.223 64.951 -2.728 25931 44 1 1 . 1 1 439 439 VAL CB C 439 31.602 31.602 31.976 -0.374 25931 45 1 1 . 1 1 439 439 VAL H H 439 7.867 7.867 8.447 -0.580 25931 46 1 1 . 1 1 440 440 LEU N N 440 122.292 122.292 120.974 1.318 25931 47 1 1 . 1 1 440 440 LEU CA C 440 54.619 54.619 51.422 3.196 25931 48 1 1 . 1 1 440 440 LEU CB C 440 31.602 31.602 43.462 -11.860 25931 49 1 1 . 1 1 440 440 LEU H H 440 7.951 7.951 7.356 0.595 25931 50 1 1 . 1 1 442 442 MET C C 442 178.354 178.354 178.194 0.160 25931 51 1 1 . 1 1 443 443 TRP N N 443 117.586 117.586 118.684 -1.098 25931 52 1 1 . 1 1 443 443 TRP CA C 443 59.593 59.593 60.038 -0.445 25931 53 1 1 . 1 1 443 443 TRP CB C 443 28.461 28.461 27.680 0.780 25931 54 1 1 . 1 1 443 443 TRP H H 443 8.163 8.163 8.039 0.124 25931 55 1 1 . 1 1 444 444 VAL C C 444 177.425 177.425 177.788 -0.363 25931 56 1 1 . 1 1 444 444 VAL CA C 444 65.850 65.850 65.280 0.570 25931 57 1 1 . 1 1 445 445 LEU N N 445 119.396 119.396 120.569 -1.173 25931 58 1 1 . 1 1 445 445 LEU C C 445 178.275 178.275 178.401 -0.126 25931 59 1 1 . 1 1 445 445 LEU CA C 445 57.792 57.792 57.753 0.039 25931 60 1 1 . 1 1 445 445 LEU CB C 445 40.192 40.192 41.363 -1.171 25931 61 1 1 . 1 1 445 445 LEU H H 445 7.598 7.598 7.512 0.086 25931 62 1 1 . 1 1 446 446 ALA N N 446 119.287 119.287 121.549 -2.262 25931 63 1 1 . 1 1 446 446 ALA C C 446 178.827 178.827 179.810 -0.983 25931 64 1 1 . 1 1 446 446 ALA CA C 446 55.134 55.134 55.057 0.077 25931 65 1 1 . 1 1 446 446 ALA CB C 446 17.032 17.032 18.297 -1.265 25931 66 1 1 . 1 1 446 446 ALA H H 446 8.360 8.360 8.528 -0.168 25931 67 1 1 . 1 1 447 447 LEU N N 447 117.101 117.101 119.580 -2.479 25931 68 1 1 . 1 1 447 447 LEU C C 447 178.564 178.564 179.139 -0.575 25931 69 1 1 . 1 1 447 447 LEU CA C 447 57.818 57.818 57.907 -0.089 25931 70 1 1 . 1 1 447 447 LEU CB C 447 40.615 40.615 41.995 -1.380 25931 71 1 1 . 1 1 447 447 LEU H H 447 7.906 7.906 8.354 -0.448 25931 72 1 1 . 1 1 448 448 ILE N N 448 118.874 118.874 119.400 -0.526 25931 73 1 1 . 1 1 448 448 ILE C C 448 177.504 177.504 178.066 -0.562 25931 74 1 1 . 1 1 448 448 ILE CA C 448 65.667 65.667 65.845 -0.178 25931 75 1 1 . 1 1 448 448 ILE CB C 448 36.492 36.492 37.781 -1.289 25931 76 1 1 . 1 1 448 448 ILE H H 448 8.206 8.206 7.679 0.527 25931 77 1 1 . 1 1 449 449 VAL N N 449 118.932 118.932 119.994 -1.062 25931 78 1 1 . 1 1 449 449 VAL C C 449 179.107 179.107 178.162 0.945 25931 79 1 1 . 1 1 449 449 VAL CA C 449 66.917 66.917 67.005 -0.088 25931 80 1 1 . 1 1 449 449 VAL CB C 449 30.226 30.226 31.685 -1.459 25931 81 1 1 . 1 1 449 449 VAL H H 449 8.271 8.271 7.385 0.886 25931 82 1 1 . 1 1 450 450 ILE N N 450 123.013 123.013 120.181 2.832 25931 83 1 1 . 1 1 450 450 ILE C C 450 177.092 177.092 178.205 -1.113 25931 84 1 1 . 1 1 450 450 ILE CA C 450 65.594 65.594 64.994 0.600 25931 85 1 1 . 1 1 450 450 ILE CB C 450 36.594 36.594 37.578 -0.984 25931 86 1 1 . 1 1 450 450 ILE H H 450 8.603 8.603 7.557 1.046 25931 87 1 1 . 1 1 451 451 PHE N N 451 119.352 119.352 119.244 0.108 25931 88 1 1 . 1 1 451 451 PHE C C 451 177.408 177.408 178.091 -0.683 25931 89 1 1 . 1 1 451 451 PHE CA C 451 61.389 61.389 62.768 -1.379 25931 90 1 1 . 1 1 451 451 PHE CB C 451 37.970 37.970 38.305 -0.335 25931 91 1 1 . 1 1 451 451 PHE H H 451 8.630 8.630 8.090 0.540 25931 92 1 1 . 1 1 452 452 LEU N N 452 118.462 118.462 118.949 -0.487 25931 93 1 1 . 1 1 452 452 LEU C C 452 177.959 177.959 179.025 -1.066 25931 94 1 1 . 1 1 452 452 LEU CA C 452 57.606 57.606 58.126 -0.520 25931 95 1 1 . 1 1 452 452 LEU CB C 452 40.924 40.924 41.610 -0.686 25931 96 1 1 . 1 1 452 452 LEU H H 452 8.732 8.732 8.196 0.536 25931 97 1 1 . 1 1 453 453 THR N N 453 116.076 116.076 117.110 -1.034 25931 98 1 1 . 1 1 453 453 THR C C 453 176.199 176.199 177.011 -0.812 25931 99 1 1 . 1 1 453 453 THR CA C 453 67.919 67.919 66.818 1.101 25931 100 1 1 . 1 1 453 453 THR CB C 453 67.006 67.006 68.397 -1.391 25931 101 1 1 . 1 1 453 453 THR H H 453 8.107 8.107 8.417 -0.310 25931 102 1 1 . 1 1 454 454 ILE N N 454 120.174 120.174 121.320 -1.146 25931 103 1 1 . 1 1 454 454 ILE C C 454 176.934 176.934 177.453 -0.519 25931 104 1 1 . 1 1 454 454 ILE CA C 454 65.145 65.145 65.273 -0.128 25931 105 1 1 . 1 1 454 454 ILE CB C 454 36.595 36.595 37.434 -0.839 25931 106 1 1 . 1 1 454 454 ILE H H 454 8.050 8.050 8.551 -0.501 25931 107 1 1 . 1 1 455 455 ALA N N 455 121.197 121.197 123.297 -2.100 25931 108 1 1 . 1 1 455 455 ALA C C 455 178.897 178.897 179.722 -0.825 25931 109 1 1 . 1 1 455 455 ALA CA C 455 55.346 55.346 55.609 -0.263 25931 110 1 1 . 1 1 455 455 ALA CB C 455 17.074 17.074 18.097 -1.023 25931 111 1 1 . 1 1 455 455 ALA H H 455 8.255 8.255 8.043 0.212 25931 112 1 1 . 1 1 456 456 VAL N N 456 116.760 116.760 118.882 -2.122 25931 113 1 1 . 1 1 456 456 VAL C C 456 177.513 177.513 178.011 -0.498 25931 114 1 1 . 1 1 456 456 VAL CA C 456 66.494 66.494 66.598 -0.104 25931 115 1 1 . 1 1 456 456 VAL CB C 456 30.226 30.226 31.540 -1.313 25931 116 1 1 . 1 1 456 456 VAL H H 456 8.215 8.215 8.130 0.085 25931 117 1 1 . 1 1 457 457 LEU N N 457 119.491 119.491 120.037 -0.546 25931 118 1 1 . 1 1 457 457 LEU C C 457 179.589 179.589 179.146 0.443 25931 119 1 1 . 1 1 457 457 LEU CA C 457 58.056 58.056 58.220 -0.164 25931 120 1 1 . 1 1 457 457 LEU CB C 457 40.414 40.414 41.622 -1.208 25931 121 1 1 . 1 1 457 457 LEU H H 457 8.157 8.157 7.632 0.525 25931 122 1 1 . 1 1 458 458 LEU N N 458 118.534 118.534 118.930 -0.396 25931 123 1 1 . 1 1 458 458 LEU C C 458 178.949 178.949 178.776 0.173 25931 124 1 1 . 1 1 458 458 LEU CA C 458 57.395 57.395 57.785 -0.390 25931 125 1 1 . 1 1 458 458 LEU CB C 458 40.615 40.615 41.381 -0.766 25931 126 1 1 . 1 1 458 458 LEU H H 458 8.562 8.562 8.531 0.031 25931 127 1 1 . 1 1 459 459 ALA N N 459 122.364 122.364 122.366 -0.002 25931 128 1 1 . 1 1 459 459 ALA C C 459 179.842 179.842 179.622 0.220 25931 129 1 1 . 1 1 459 459 ALA CA C 459 55.173 55.173 54.948 0.225 25931 130 1 1 . 1 1 459 459 ALA CB C 459 17.083 17.083 18.451 -1.367 25931 131 1 1 . 1 1 459 459 ALA H H 459 8.403 8.403 8.118 0.285 25931 132 1 1 . 1 1 460 460 LEU N N 460 118.056 118.056 117.792 0.264 25931 133 1 1 . 1 1 460 460 LEU C C 460 179.308 179.308 178.365 0.943 25931 134 1 1 . 1 1 460 460 LEU CA C 460 57.673 57.673 57.394 0.279 25931 135 1 1 . 1 1 460 460 LEU CB C 460 40.414 40.414 41.692 -1.278 25931 136 1 1 . 1 1 460 460 LEU H H 460 8.530 8.530 7.799 0.731 25931 137 1 1 . 1 1 461 461 ARG N N 461 119.570 119.570 117.974 1.596 25931 138 1 1 . 1 1 461 461 ARG C C 461 178.608 178.608 178.610 -0.002 25931 139 1 1 . 1 1 461 461 ARG CA C 461 57.818 57.818 58.679 -0.861 25931 140 1 1 . 1 1 461 461 ARG CB C 461 28.607 28.607 30.525 -1.918 25931 141 1 1 . 1 1 461 461 ARG H H 461 8.051 8.051 7.422 0.629 25931 142 1 1 . 1 1 462 462 PHE N N 462 118.758 118.758 119.825 -1.067 25931 143 1 1 . 1 1 462 462 PHE C C 462 177.180 177.180 177.635 -0.455 25931 144 1 1 . 1 1 462 462 PHE CA C 462 60.701 60.701 61.198 -0.497 25931 145 1 1 . 1 1 462 462 PHE CB C 462 38.530 38.530 38.855 -0.325 25931 146 1 1 . 1 1 462 462 PHE H H 462 8.463 8.463 8.154 0.309 25931 147 1 1 . 1 1 463 463 CYS N N 463 116.550 116.550 117.008 -0.458 25931 148 1 1 . 1 1 463 463 CYS C C 463 176.092 176.092 176.777 -0.685 25931 149 1 1 . 1 1 463 463 CYS CA C 463 62.129 62.129 62.166 -0.037 25931 150 1 1 . 1 1 463 463 CYS CB C 463 26.966 26.966 26.816 0.150 25931 151 1 1 . 1 1 463 463 CYS H H 463 8.317 8.317 7.695 0.622 25931 152 1 1 . 1 1 464 464 GLY N N 464 107.731 107.731 110.691 -2.960 25931 153 1 1 . 1 1 464 464 GLY C C 464 174.972 174.972 175.935 -0.963 25931 154 1 1 . 1 1 464 464 GLY CA C 464 46.074 46.074 47.183 -1.109 25931 155 1 1 . 1 1 464 464 GLY H H 464 8.079 8.079 7.928 0.151 25931 156 1 1 . 1 1 465 465 ILE N N 465 120.035 120.035 120.812 -0.777 25931 157 1 1 . 1 1 465 465 ILE C C 465 176.563 176.563 177.556 -0.993 25931 158 1 1 . 1 1 465 465 ILE CA C 465 62.500 62.500 64.198 -1.698 25931 159 1 1 . 1 1 465 465 ILE CB C 465 37.409 37.409 37.919 -0.509 25931 160 1 1 . 1 1 465 465 ILE H H 465 7.771 7.771 7.603 0.168 25931 161 1 1 . 1 1 466 466 TYR N N 466 118.754 118.754 116.762 1.992 25931 162 1 1 . 1 1 466 466 TYR C C 466 176.313 176.313 176.318 -0.005 25931 163 1 1 . 1 1 466 466 TYR CA C 466 58.506 58.506 59.815 -1.308 25931 164 1 1 . 1 1 466 466 TYR CB C 466 37.917 37.917 38.503 -0.586 25931 165 1 1 . 1 1 466 466 TYR H H 466 7.830 7.830 7.534 0.296 25931 166 1 1 . 1 1 467 467 GLY N N 467 108.001 108.001 105.689 2.312 25931 167 1 1 . 1 1 467 467 GLY C C 467 174.271 174.271 174.702 -0.431 25931 168 1 1 . 1 1 467 467 GLY CA C 467 45.624 45.624 45.299 0.325 25931 169 1 1 . 1 1 467 467 GLY H H 467 7.912 7.912 7.690 0.222 25931 170 1 1 . 1 1 468 468 TYR N N 468 119.906 119.906 119.653 0.253 25931 171 1 1 . 1 1 468 468 TYR C C 468 175.743 175.743 174.778 0.965 25931 172 1 1 . 1 1 468 468 TYR CA C 468 58.268 58.268 61.236 -2.967 25931 173 1 1 . 1 1 468 468 TYR CB C 468 37.613 37.613 37.642 -0.029 25931 174 1 1 . 1 1 468 468 TYR H H 468 7.891 7.891 8.884 -0.993 25931 175 1 1 . 1 1 469 469 ARG N N 469 120.994 120.994 119.037 1.957 25931 176 1 1 . 1 1 469 469 ARG C C 469 175.945 175.945 174.638 1.307 25931 177 1 1 . 1 1 469 469 ARG CA C 469 55.536 55.536 55.579 -0.043 25931 178 1 1 . 1 1 469 469 ARG CB C 469 30.035 30.035 31.837 -1.802 25931 179 1 1 . 1 1 469 469 ARG H H 469 7.868 7.868 8.023 -0.155 25931 180 1 1 . 1 1 470 470 LEU N N 470 121.404 121.404 118.027 3.377 25931 181 1 1 . 1 1 470 470 LEU C C 470 176.689 176.689 176.696 -0.007 25931 182 1 1 . 1 1 470 470 LEU CA C 470 54.908 54.908 54.862 0.046 25931 183 1 1 . 1 1 470 470 LEU CB C 470 41.077 41.077 41.874 -0.797 25931 184 1 1 . 1 1 470 470 LEU H H 470 7.906 7.906 7.992 -0.086 25931 185 1 1 . 1 1 471 471 ARG N N 471 120.513 120.513 121.266 -0.753 25931 186 1 1 . 1 1 471 471 ARG C C 471 175.778 175.778 176.439 -0.661 25931 187 1 1 . 1 1 471 471 ARG CA C 471 55.358 55.358 58.690 -3.332 25931 188 1 1 . 1 1 471 471 ARG CB C 471 29.982 29.982 29.002 0.980 25931 189 1 1 . 1 1 471 471 ARG H H 471 7.902 7.902 8.504 -0.602 25931 190 1 1 . 1 1 472 472 ARG N N 472 122.770 122.770 121.663 1.107 25931 191 1 1 . 1 1 472 472 ARG C C 472 175.428 175.428 176.569 -1.141 25931 192 1 1 . 1 1 472 472 ARG CA C 472 55.596 55.596 58.061 -2.465 25931 193 1 1 . 1 1 472 472 ARG CB C 472 29.982 29.982 30.296 -0.314 25931 194 1 1 . 1 1 472 472 ARG H H 472 8.220 8.220 8.351 -0.131 25931 195 1 2 . 1 1 431 431 LYS N N 431 121.472 121.472 119.587 1.885 25931 196 1 2 . 1 1 431 431 LYS C C 431 176.470 176.470 178.702 -2.232 25931 197 1 2 . 1 1 431 431 LYS CA C 431 56.046 56.046 57.939 -1.893 25931 198 1 2 . 1 1 431 431 LYS CB C 431 32.213 32.213 32.707 -0.494 25931 199 1 2 . 1 1 431 431 LYS H H 431 8.503 8.503 8.461 0.042 25931 200 1 2 . 1 1 432 432 ARG N N 432 122.845 122.845 119.864 2.981 25931 201 1 2 . 1 1 432 432 ARG C C 432 176.155 176.155 176.447 -0.292 25931 202 1 2 . 1 1 432 432 ARG CA C 432 55.385 55.385 57.659 -2.274 25931 203 1 2 . 1 1 432 432 ARG CB C 432 29.615 29.615 30.444 -0.829 25931 204 1 2 . 1 1 432 432 ARG H H 432 8.403 8.403 8.552 -0.149 25931 205 1 2 . 1 1 433 433 SER N N 433 117.709 117.709 110.957 6.752 25931 206 1 2 . 1 1 433 433 SER C C 433 174.350 174.350 173.620 0.730 25931 207 1 2 . 1 1 433 433 SER CA C 433 57.970 57.970 57.339 0.631 25931 208 1 2 . 1 1 433 433 SER CB C 433 63.389 63.389 65.529 -2.140 25931 209 1 2 . 1 1 433 433 SER H H 433 8.219 8.219 7.732 0.487 25931 210 1 2 . 1 1 434 434 TRP N N 434 122.436 122.436 124.212 -1.776 25931 211 1 2 . 1 1 434 434 TRP C C 434 175.682 175.682 175.692 -0.010 25931 212 1 2 . 1 1 434 434 TRP CA C 434 56.945 56.945 59.559 -2.615 25931 213 1 2 . 1 1 434 434 TRP CB C 434 28.749 28.749 29.584 -0.835 25931 214 1 2 . 1 1 434 434 TRP H H 434 8.143 8.143 8.690 -0.547 25931 215 1 2 . 1 1 435 435 ASP N N 435 119.681 119.681 119.955 -0.274 25931 216 1 2 . 1 1 435 435 ASP C C 435 175.734 175.734 176.006 -0.272 25931 217 1 2 . 1 1 435 435 ASP CA C 435 53.097 53.097 53.026 0.071 25931 218 1 2 . 1 1 435 435 ASP CB C 435 38.446 38.446 41.168 -2.722 25931 219 1 2 . 1 1 435 435 ASP H H 435 8.107 8.107 8.076 0.031 25931 220 1 2 . 1 1 436 436 THR N N 436 113.878 113.878 117.346 -3.468 25931 221 1 2 . 1 1 436 436 THR C C 436 174.841 174.841 174.461 0.380 25931 222 1 2 . 1 1 436 436 THR CA C 436 62.342 62.342 61.433 0.909 25931 223 1 2 . 1 1 436 436 THR CB C 436 68.789 68.789 70.183 -1.394 25931 224 1 2 . 1 1 436 436 THR H H 436 7.890 7.890 8.173 -0.283 25931 225 1 2 . 1 1 437 437 GLU N N 437 121.040 121.040 122.611 -1.571 25931 226 1 2 . 1 1 437 437 GLU C C 437 176.085 176.085 175.513 0.572 25931 227 1 2 . 1 1 437 437 GLU CA C 437 56.271 56.271 56.112 0.159 25931 228 1 2 . 1 1 437 437 GLU CB C 437 27.760 27.760 30.943 -3.183 25931 229 1 2 . 1 1 437 437 GLU H H 437 8.178 8.178 8.624 -0.446 25931 230 1 2 . 1 1 438 438 SER N N 438 115.041 115.041 118.883 -3.842 25931 231 1 2 . 1 1 438 438 SER C C 438 174.622 174.622 174.063 0.559 25931 232 1 2 . 1 1 438 438 SER CA C 438 58.337 58.337 57.860 0.477 25931 233 1 2 . 1 1 438 438 SER CB C 438 63.257 63.257 64.945 -1.688 25931 234 1 2 . 1 1 438 438 SER H H 438 8.014 8.014 8.392 -0.378 25931 235 1 2 . 1 1 439 439 VAL N N 439 119.164 119.164 120.990 -1.826 25931 236 1 2 . 1 1 439 439 VAL C C 439 175.866 175.866 176.142 -0.276 25931 237 1 2 . 1 1 439 439 VAL CA C 439 62.223 62.223 64.566 -2.342 25931 238 1 2 . 1 1 439 439 VAL CB C 439 31.602 31.602 31.690 -0.088 25931 239 1 2 . 1 1 439 439 VAL H H 439 7.867 7.867 8.555 -0.688 25931 240 1 2 . 1 1 440 440 LEU N N 440 122.292 122.292 121.152 1.140 25931 241 1 2 . 1 1 440 440 LEU CA C 440 54.619 54.619 52.394 2.225 25931 242 1 2 . 1 1 440 440 LEU CB C 440 31.602 31.602 42.554 -10.952 25931 243 1 2 . 1 1 440 440 LEU H H 440 7.951 7.951 7.639 0.312 25931 244 1 2 . 1 1 442 442 MET C C 442 178.354 178.354 178.335 0.019 25931 245 1 2 . 1 1 443 443 TRP N N 443 117.586 117.586 118.220 -0.634 25931 246 1 2 . 1 1 443 443 TRP CA C 443 59.593 59.593 59.808 -0.215 25931 247 1 2 . 1 1 443 443 TRP CB C 443 28.461 28.461 27.799 0.662 25931 248 1 2 . 1 1 443 443 TRP H H 443 8.163 8.163 8.011 0.152 25931 249 1 2 . 1 1 444 444 VAL C C 444 177.425 177.425 177.673 -0.248 25931 250 1 2 . 1 1 444 444 VAL CA C 444 65.850 65.850 65.174 0.675 25931 251 1 2 . 1 1 445 445 LEU N N 445 119.396 119.396 120.263 -0.867 25931 252 1 2 . 1 1 445 445 LEU C C 445 178.275 178.275 178.227 0.048 25931 253 1 2 . 1 1 445 445 LEU CA C 445 57.792 57.792 57.665 0.127 25931 254 1 2 . 1 1 445 445 LEU CB C 445 40.192 40.192 41.354 -1.162 25931 255 1 2 . 1 1 445 445 LEU H H 445 7.598 7.598 7.305 0.293 25931 256 1 2 . 1 1 446 446 ALA N N 446 119.287 119.287 121.709 -2.422 25931 257 1 2 . 1 1 446 446 ALA C C 446 178.827 178.827 179.800 -0.973 25931 258 1 2 . 1 1 446 446 ALA CA C 446 55.134 55.134 55.087 0.047 25931 259 1 2 . 1 1 446 446 ALA CB C 446 17.032 17.032 18.204 -1.172 25931 260 1 2 . 1 1 446 446 ALA H H 446 8.360 8.360 7.940 0.420 25931 261 1 2 . 1 1 447 447 LEU N N 447 117.101 117.101 119.226 -2.125 25931 262 1 2 . 1 1 447 447 LEU C C 447 178.564 178.564 179.127 -0.563 25931 263 1 2 . 1 1 447 447 LEU CA C 447 57.818 57.818 57.853 -0.035 25931 264 1 2 . 1 1 447 447 LEU CB C 447 40.615 40.615 41.955 -1.340 25931 265 1 2 . 1 1 447 447 LEU H H 447 7.906 7.906 7.910 -0.004 25931 266 1 2 . 1 1 448 448 ILE N N 448 118.874 118.874 119.477 -0.603 25931 267 1 2 . 1 1 448 448 ILE C C 448 177.504 177.504 178.137 -0.633 25931 268 1 2 . 1 1 448 448 ILE CA C 448 65.667 65.667 65.601 0.066 25931 269 1 2 . 1 1 448 448 ILE CB C 448 36.492 36.492 37.718 -1.226 25931 270 1 2 . 1 1 448 448 ILE H H 448 8.206 8.206 7.531 0.675 25931 271 1 2 . 1 1 449 449 VAL N N 449 118.932 118.932 119.815 -0.883 25931 272 1 2 . 1 1 449 449 VAL C C 449 179.107 179.107 178.262 0.845 25931 273 1 2 . 1 1 449 449 VAL CA C 449 66.917 66.917 67.015 -0.098 25931 274 1 2 . 1 1 449 449 VAL CB C 449 30.226 30.226 31.244 -1.018 25931 275 1 2 . 1 1 449 449 VAL H H 449 8.271 8.271 7.541 0.730 25931 276 1 2 . 1 1 450 450 ILE N N 450 123.013 123.013 120.479 2.534 25931 277 1 2 . 1 1 450 450 ILE C C 450 177.092 177.092 177.888 -0.796 25931 278 1 2 . 1 1 450 450 ILE CA C 450 65.594 65.594 65.374 0.220 25931 279 1 2 . 1 1 450 450 ILE CB C 450 36.594 36.594 37.580 -0.986 25931 280 1 2 . 1 1 450 450 ILE H H 450 8.603 8.603 7.501 1.102 25931 281 1 2 . 1 1 451 451 PHE N N 451 119.352 119.352 118.715 0.637 25931 282 1 2 . 1 1 451 451 PHE C C 451 177.408 177.408 178.014 -0.606 25931 283 1 2 . 1 1 451 451 PHE CA C 451 61.389 61.389 62.508 -1.119 25931 284 1 2 . 1 1 451 451 PHE CB C 451 37.970 37.970 38.305 -0.335 25931 285 1 2 . 1 1 451 451 PHE H H 451 8.630 8.630 7.650 0.980 25931 286 1 2 . 1 1 452 452 LEU N N 452 118.462 118.462 119.043 -0.581 25931 287 1 2 . 1 1 452 452 LEU C C 452 177.959 177.959 179.018 -1.059 25931 288 1 2 . 1 1 452 452 LEU CA C 452 57.606 57.606 57.977 -0.371 25931 289 1 2 . 1 1 452 452 LEU CB C 452 40.924 40.924 41.496 -0.572 25931 290 1 2 . 1 1 452 452 LEU H H 452 8.732 8.732 7.960 0.772 25931 291 1 2 . 1 1 453 453 THR N N 453 116.076 116.076 116.571 -0.495 25931 292 1 2 . 1 1 453 453 THR C C 453 176.199 176.199 176.611 -0.412 25931 293 1 2 . 1 1 453 453 THR CA C 453 67.919 67.919 67.242 0.677 25931 294 1 2 . 1 1 453 453 THR CB C 453 67.006 67.006 68.535 -1.530 25931 295 1 2 . 1 1 453 453 THR H H 453 8.107 8.107 8.162 -0.055 25931 296 1 2 . 1 1 454 454 ILE N N 454 120.174 120.174 118.379 1.795 25931 297 1 2 . 1 1 454 454 ILE C C 454 176.934 176.934 177.308 -0.374 25931 298 1 2 . 1 1 454 454 ILE CA C 454 65.145 65.145 64.824 0.321 25931 299 1 2 . 1 1 454 454 ILE CB C 454 36.595 36.595 37.224 -0.629 25931 300 1 2 . 1 1 454 454 ILE H H 454 8.050 8.050 8.011 0.039 25931 301 1 2 . 1 1 455 455 ALA N N 455 121.197 121.197 123.475 -2.278 25931 302 1 2 . 1 1 455 455 ALA C C 455 178.897 178.897 179.733 -0.836 25931 303 1 2 . 1 1 455 455 ALA CA C 455 55.346 55.346 55.369 -0.023 25931 304 1 2 . 1 1 455 455 ALA CB C 455 17.074 17.074 18.263 -1.189 25931 305 1 2 . 1 1 455 455 ALA H H 455 8.255 8.255 7.902 0.353 25931 306 1 2 . 1 1 456 456 VAL N N 456 116.760 116.760 118.852 -2.092 25931 307 1 2 . 1 1 456 456 VAL C C 456 177.513 177.513 178.072 -0.559 25931 308 1 2 . 1 1 456 456 VAL CA C 456 66.494 66.494 67.067 -0.573 25931 309 1 2 . 1 1 456 456 VAL CB C 456 30.226 30.226 31.405 -1.179 25931 310 1 2 . 1 1 456 456 VAL H H 456 8.215 8.215 7.869 0.346 25931 311 1 2 . 1 1 457 457 LEU N N 457 119.491 119.491 119.811 -0.320 25931 312 1 2 . 1 1 457 457 LEU C C 457 179.589 179.589 179.347 0.242 25931 313 1 2 . 1 1 457 457 LEU CA C 457 58.056 58.056 58.019 0.037 25931 314 1 2 . 1 1 457 457 LEU CB C 457 40.414 40.414 41.632 -1.218 25931 315 1 2 . 1 1 457 457 LEU H H 457 8.157 8.157 7.499 0.658 25931 316 1 2 . 1 1 458 458 LEU N N 458 118.534 118.534 119.018 -0.484 25931 317 1 2 . 1 1 458 458 LEU C C 458 178.949 178.949 178.936 0.013 25931 318 1 2 . 1 1 458 458 LEU CA C 458 57.395 57.395 57.833 -0.438 25931 319 1 2 . 1 1 458 458 LEU CB C 458 40.615 40.615 41.376 -0.761 25931 320 1 2 . 1 1 458 458 LEU H H 458 8.562 8.562 8.092 0.470 25931 321 1 2 . 1 1 459 459 ALA N N 459 122.364 122.364 122.688 -0.324 25931 322 1 2 . 1 1 459 459 ALA C C 459 179.842 179.842 179.689 0.153 25931 323 1 2 . 1 1 459 459 ALA CA C 459 55.173 55.173 55.176 -0.003 25931 324 1 2 . 1 1 459 459 ALA CB C 459 17.083 17.083 18.387 -1.304 25931 325 1 2 . 1 1 459 459 ALA H H 459 8.403 8.403 8.279 0.124 25931 326 1 2 . 1 1 460 460 LEU N N 460 118.056 118.056 119.787 -1.731 25931 327 1 2 . 1 1 460 460 LEU C C 460 179.308 179.308 179.292 0.016 25931 328 1 2 . 1 1 460 460 LEU CA C 460 57.673 57.673 58.321 -0.648 25931 329 1 2 . 1 1 460 460 LEU CB C 460 40.414 40.414 41.338 -0.924 25931 330 1 2 . 1 1 460 460 LEU H H 460 8.530 8.530 7.774 0.756 25931 331 1 2 . 1 1 461 461 ARG N N 461 119.570 119.570 119.776 -0.206 25931 332 1 2 . 1 1 461 461 ARG C C 461 178.608 178.608 178.701 -0.093 25931 333 1 2 . 1 1 461 461 ARG CA C 461 57.818 57.818 59.248 -1.430 25931 334 1 2 . 1 1 461 461 ARG CB C 461 28.607 28.607 29.952 -1.345 25931 335 1 2 . 1 1 461 461 ARG H H 461 8.051 8.051 7.631 0.420 25931 336 1 2 . 1 1 462 462 PHE N N 462 118.758 118.758 120.970 -2.212 25931 337 1 2 . 1 1 462 462 PHE C C 462 177.180 177.180 177.639 -0.459 25931 338 1 2 . 1 1 462 462 PHE CA C 462 60.701 60.701 61.580 -0.879 25931 339 1 2 . 1 1 462 462 PHE CB C 462 38.530 38.530 39.106 -0.576 25931 340 1 2 . 1 1 462 462 PHE H H 462 8.463 8.463 8.353 0.110 25931 341 1 2 . 1 1 463 463 CYS N N 463 116.550 116.550 117.374 -0.824 25931 342 1 2 . 1 1 463 463 CYS C C 463 176.092 176.092 177.369 -1.277 25931 343 1 2 . 1 1 463 463 CYS CA C 463 62.129 62.129 62.309 -0.180 25931 344 1 2 . 1 1 463 463 CYS CB C 463 26.966 26.966 27.152 -0.186 25931 345 1 2 . 1 1 463 463 CYS H H 463 8.317 8.317 9.027 -0.710 25931 346 1 2 . 1 1 464 464 GLY N N 464 107.731 107.731 109.940 -2.209 25931 347 1 2 . 1 1 464 464 GLY C C 464 174.972 174.972 175.886 -0.914 25931 348 1 2 . 1 1 464 464 GLY CA C 464 46.074 46.074 47.041 -0.966 25931 349 1 2 . 1 1 464 464 GLY H H 464 8.079 8.079 8.453 -0.374 25931 350 1 2 . 1 1 465 465 ILE N N 465 120.035 120.035 121.099 -1.064 25931 351 1 2 . 1 1 465 465 ILE C C 465 176.563 176.563 177.775 -1.212 25931 352 1 2 . 1 1 465 465 ILE CA C 465 62.500 62.500 64.070 -1.570 25931 353 1 2 . 1 1 465 465 ILE CB C 465 37.409 37.409 38.011 -0.602 25931 354 1 2 . 1 1 465 465 ILE H H 465 7.771 7.771 7.387 0.384 25931 355 1 2 . 1 1 466 466 TYR N N 466 118.754 118.754 117.117 1.637 25931 356 1 2 . 1 1 466 466 TYR C C 466 176.313 176.313 176.721 -0.408 25931 357 1 2 . 1 1 466 466 TYR CA C 466 58.506 58.506 59.241 -0.735 25931 358 1 2 . 1 1 466 466 TYR CB C 466 37.917 37.917 38.871 -0.954 25931 359 1 2 . 1 1 466 466 TYR H H 466 7.830 7.830 7.499 0.331 25931 360 1 2 . 1 1 467 467 GLY N N 467 108.001 108.001 107.144 0.857 25931 361 1 2 . 1 1 467 467 GLY C C 467 174.271 174.271 174.417 -0.146 25931 362 1 2 . 1 1 467 467 GLY CA C 467 45.624 45.624 45.317 0.307 25931 363 1 2 . 1 1 467 467 GLY H H 467 7.912 7.912 7.835 0.077 25931 364 1 2 . 1 1 468 468 TYR N N 468 119.906 119.906 121.418 -1.512 25931 365 1 2 . 1 1 468 468 TYR C C 468 175.743 175.743 175.226 0.517 25931 366 1 2 . 1 1 468 468 TYR CA C 468 58.268 58.268 61.233 -2.966 25931 367 1 2 . 1 1 468 468 TYR CB C 468 37.613 37.613 39.133 -1.520 25931 368 1 2 . 1 1 468 468 TYR H H 468 7.891 7.891 7.969 -0.078 25931 369 1 2 . 1 1 469 469 ARG N N 469 120.994 120.994 117.067 3.927 25931 370 1 2 . 1 1 469 469 ARG C C 469 175.945 175.945 176.191 -0.246 25931 371 1 2 . 1 1 469 469 ARG CA C 469 55.536 55.536 54.810 0.726 25931 372 1 2 . 1 1 469 469 ARG CB C 469 30.035 30.035 32.447 -2.412 25931 373 1 2 . 1 1 469 469 ARG H H 469 7.868 7.868 8.039 -0.171 25931 374 1 2 . 1 1 470 470 LEU N N 470 121.404 121.404 125.035 -3.631 25931 375 1 2 . 1 1 470 470 LEU C C 470 176.689 176.689 178.517 -1.828 25931 376 1 2 . 1 1 470 470 LEU CA C 470 54.908 54.908 57.366 -2.458 25931 377 1 2 . 1 1 470 470 LEU CB C 470 41.077 41.077 41.994 -0.917 25931 378 1 2 . 1 1 470 470 LEU H H 470 7.906 7.906 8.842 -0.936 25931 379 1 2 . 1 1 471 471 ARG N N 471 120.513 120.513 119.691 0.822 25931 380 1 2 . 1 1 471 471 ARG C C 471 175.778 175.778 178.461 -2.683 25931 381 1 2 . 1 1 471 471 ARG CA C 471 55.358 55.358 58.610 -3.252 25931 382 1 2 . 1 1 471 471 ARG CB C 471 29.982 29.982 30.244 -0.262 25931 383 1 2 . 1 1 471 471 ARG H H 471 7.902 7.902 8.041 -0.139 25931 384 1 2 . 1 1 472 472 ARG N N 472 122.770 122.770 117.620 5.150 25931 385 1 2 . 1 1 472 472 ARG C C 472 175.428 175.428 177.537 -2.109 25931 386 1 2 . 1 1 472 472 ARG CA C 472 55.596 55.596 58.096 -2.500 25931 387 1 2 . 1 1 472 472 ARG CB C 472 29.982 29.982 30.709 -0.727 25931 388 1 2 . 1 1 472 472 ARG H H 472 8.220 8.220 8.192 0.028 25931 389 1 3 . 1 1 431 431 LYS N N 431 121.472 121.472 122.307 -0.835 25931 390 1 3 . 1 1 431 431 LYS C C 431 176.470 176.470 176.822 -0.352 25931 391 1 3 . 1 1 431 431 LYS CA C 431 56.046 56.046 55.739 0.307 25931 392 1 3 . 1 1 431 431 LYS CB C 431 32.213 32.213 33.801 -1.588 25931 393 1 3 . 1 1 431 431 LYS H H 431 8.503 8.503 8.197 0.306 25931 394 1 3 . 1 1 432 432 ARG N N 432 122.845 122.845 120.756 2.089 25931 395 1 3 . 1 1 432 432 ARG C C 432 176.155 176.155 176.071 0.084 25931 396 1 3 . 1 1 432 432 ARG CA C 432 55.385 55.385 57.478 -2.093 25931 397 1 3 . 1 1 432 432 ARG CB C 432 29.615 29.615 30.550 -0.935 25931 398 1 3 . 1 1 432 432 ARG H H 432 8.403 8.403 8.588 -0.185 25931 399 1 3 . 1 1 433 433 SER N N 433 117.709 117.709 111.750 5.959 25931 400 1 3 . 1 1 433 433 SER C C 433 174.350 174.350 172.723 1.627 25931 401 1 3 . 1 1 433 433 SER CA C 433 57.970 57.970 57.329 0.641 25931 402 1 3 . 1 1 433 433 SER CB C 433 63.389 63.389 64.666 -1.277 25931 403 1 3 . 1 1 433 433 SER H H 433 8.219 8.219 7.466 0.753 25931 404 1 3 . 1 1 434 434 TRP N N 434 122.436 122.436 122.263 0.173 25931 405 1 3 . 1 1 434 434 TRP C C 434 175.682 175.682 176.633 -0.951 25931 406 1 3 . 1 1 434 434 TRP CA C 434 56.945 56.945 56.458 0.487 25931 407 1 3 . 1 1 434 434 TRP CB C 434 28.749 28.749 30.224 -1.475 25931 408 1 3 . 1 1 434 434 TRP H H 434 8.143 8.143 8.364 -0.221 25931 409 1 3 . 1 1 435 435 ASP N N 435 119.681 119.681 121.188 -1.507 25931 410 1 3 . 1 1 435 435 ASP C C 435 175.734 175.734 176.562 -0.828 25931 411 1 3 . 1 1 435 435 ASP CA C 435 53.097 53.097 55.912 -2.815 25931 412 1 3 . 1 1 435 435 ASP CB C 435 38.446 38.446 41.116 -2.670 25931 413 1 3 . 1 1 435 435 ASP H H 435 8.107 8.107 8.636 -0.529 25931 414 1 3 . 1 1 436 436 THR N N 436 113.878 113.878 112.041 1.837 25931 415 1 3 . 1 1 436 436 THR C C 436 174.841 174.841 173.561 1.280 25931 416 1 3 . 1 1 436 436 THR CA C 436 62.342 62.342 61.265 1.077 25931 417 1 3 . 1 1 436 436 THR CB C 436 68.789 68.789 70.119 -1.330 25931 418 1 3 . 1 1 436 436 THR H H 436 7.890 7.890 7.714 0.176 25931 419 1 3 . 1 1 437 437 GLU N N 437 121.040 121.040 121.521 -0.481 25931 420 1 3 . 1 1 437 437 GLU C C 437 176.085 176.085 176.210 -0.125 25931 421 1 3 . 1 1 437 437 GLU CA C 437 56.271 56.271 55.648 0.623 25931 422 1 3 . 1 1 437 437 GLU CB C 437 27.760 27.760 31.440 -3.680 25931 423 1 3 . 1 1 437 437 GLU H H 437 8.178 8.178 8.514 -0.336 25931 424 1 3 . 1 1 438 438 SER N N 438 115.041 115.041 120.705 -5.664 25931 425 1 3 . 1 1 438 438 SER C C 438 174.622 174.622 175.649 -1.027 25931 426 1 3 . 1 1 438 438 SER CA C 438 58.337 58.337 57.659 0.678 25931 427 1 3 . 1 1 438 438 SER CB C 438 63.257 63.257 64.188 -0.931 25931 428 1 3 . 1 1 438 438 SER H H 438 8.014 8.014 8.719 -0.705 25931 429 1 3 . 1 1 439 439 VAL N N 439 119.164 119.164 120.127 -0.963 25931 430 1 3 . 1 1 439 439 VAL C C 439 175.866 175.866 176.262 -0.396 25931 431 1 3 . 1 1 439 439 VAL CA C 439 62.223 62.223 64.283 -2.060 25931 432 1 3 . 1 1 439 439 VAL CB C 439 31.602 31.602 32.004 -0.402 25931 433 1 3 . 1 1 439 439 VAL H H 439 7.867 7.867 8.313 -0.446 25931 434 1 3 . 1 1 440 440 LEU N N 440 122.292 122.292 121.883 0.409 25931 435 1 3 . 1 1 440 440 LEU CA C 440 54.619 54.619 52.518 2.101 25931 436 1 3 . 1 1 440 440 LEU CB C 440 31.602 31.602 42.739 -11.137 25931 437 1 3 . 1 1 440 440 LEU H H 440 7.951 7.951 7.654 0.297 25931 438 1 3 . 1 1 442 442 MET C C 442 178.354 178.354 177.844 0.510 25931 439 1 3 . 1 1 443 443 TRP N N 443 117.586 117.586 118.552 -0.966 25931 440 1 3 . 1 1 443 443 TRP CA C 443 59.593 59.593 59.717 -0.124 25931 441 1 3 . 1 1 443 443 TRP CB C 443 28.461 28.461 27.658 0.803 25931 442 1 3 . 1 1 443 443 TRP H H 443 8.163 8.163 8.472 -0.309 25931 443 1 3 . 1 1 444 444 VAL C C 444 177.425 177.425 177.874 -0.449 25931 444 1 3 . 1 1 444 444 VAL CA C 444 65.850 65.850 65.519 0.331 25931 445 1 3 . 1 1 445 445 LEU N N 445 119.396 119.396 119.265 0.131 25931 446 1 3 . 1 1 445 445 LEU C C 445 178.275 178.275 178.770 -0.495 25931 447 1 3 . 1 1 445 445 LEU CA C 445 57.792 57.792 57.800 -0.008 25931 448 1 3 . 1 1 445 445 LEU CB C 445 40.192 40.192 41.348 -1.156 25931 449 1 3 . 1 1 445 445 LEU H H 445 7.598 7.598 7.254 0.344 25931 450 1 3 . 1 1 446 446 ALA N N 446 119.287 119.287 121.994 -2.707 25931 451 1 3 . 1 1 446 446 ALA C C 446 178.827 178.827 179.728 -0.901 25931 452 1 3 . 1 1 446 446 ALA CA C 446 55.134 55.134 55.101 0.033 25931 453 1 3 . 1 1 446 446 ALA CB C 446 17.032 17.032 18.221 -1.189 25931 454 1 3 . 1 1 446 446 ALA H H 446 8.360 8.360 7.833 0.527 25931 455 1 3 . 1 1 447 447 LEU N N 447 117.101 117.101 119.420 -2.319 25931 456 1 3 . 1 1 447 447 LEU C C 447 178.564 178.564 179.109 -0.545 25931 457 1 3 . 1 1 447 447 LEU CA C 447 57.818 57.818 57.954 -0.136 25931 458 1 3 . 1 1 447 447 LEU CB C 447 40.615 40.615 41.828 -1.213 25931 459 1 3 . 1 1 447 447 LEU H H 447 7.906 7.906 7.892 0.014 25931 460 1 3 . 1 1 448 448 ILE N N 448 118.874 118.874 119.295 -0.421 25931 461 1 3 . 1 1 448 448 ILE C C 448 177.504 177.504 178.040 -0.536 25931 462 1 3 . 1 1 448 448 ILE CA C 448 65.667 65.667 65.686 -0.019 25931 463 1 3 . 1 1 448 448 ILE CB C 448 36.492 36.492 37.738 -1.246 25931 464 1 3 . 1 1 448 448 ILE H H 448 8.206 8.206 7.458 0.748 25931 465 1 3 . 1 1 449 449 VAL N N 449 118.932 118.932 120.177 -1.245 25931 466 1 3 . 1 1 449 449 VAL C C 449 179.107 179.107 178.059 1.048 25931 467 1 3 . 1 1 449 449 VAL CA C 449 66.917 66.917 67.230 -0.313 25931 468 1 3 . 1 1 449 449 VAL CB C 449 30.226 30.226 31.732 -1.506 25931 469 1 3 . 1 1 449 449 VAL H H 449 8.271 8.271 7.536 0.735 25931 470 1 3 . 1 1 450 450 ILE N N 450 123.013 123.013 120.611 2.402 25931 471 1 3 . 1 1 450 450 ILE C C 450 177.092 177.092 178.026 -0.934 25931 472 1 3 . 1 1 450 450 ILE CA C 450 65.594 65.594 65.516 0.078 25931 473 1 3 . 1 1 450 450 ILE CB C 450 36.594 36.594 37.943 -1.349 25931 474 1 3 . 1 1 450 450 ILE H H 450 8.603 8.603 7.756 0.847 25931 475 1 3 . 1 1 451 451 PHE N N 451 119.352 119.352 119.321 0.031 25931 476 1 3 . 1 1 451 451 PHE C C 451 177.408 177.408 177.955 -0.547 25931 477 1 3 . 1 1 451 451 PHE CA C 451 61.389 61.389 62.607 -1.218 25931 478 1 3 . 1 1 451 451 PHE CB C 451 37.970 37.970 38.487 -0.517 25931 479 1 3 . 1 1 451 451 PHE H H 451 8.630 8.630 8.300 0.330 25931 480 1 3 . 1 1 452 452 LEU N N 452 118.462 118.462 119.142 -0.680 25931 481 1 3 . 1 1 452 452 LEU C C 452 177.959 177.959 179.159 -1.200 25931 482 1 3 . 1 1 452 452 LEU CA C 452 57.606 57.606 58.292 -0.686 25931 483 1 3 . 1 1 452 452 LEU CB C 452 40.924 40.924 41.571 -0.647 25931 484 1 3 . 1 1 452 452 LEU H H 452 8.732 8.732 8.497 0.235 25931 485 1 3 . 1 1 453 453 THR N N 453 116.076 116.076 116.999 -0.923 25931 486 1 3 . 1 1 453 453 THR C C 453 176.199 176.199 176.934 -0.735 25931 487 1 3 . 1 1 453 453 THR CA C 453 67.919 67.919 67.527 0.392 25931 488 1 3 . 1 1 453 453 THR CB C 453 67.006 67.006 68.753 -1.747 25931 489 1 3 . 1 1 453 453 THR H H 453 8.107 8.107 8.294 -0.187 25931 490 1 3 . 1 1 454 454 ILE N N 454 120.174 120.174 121.363 -1.189 25931 491 1 3 . 1 1 454 454 ILE C C 454 176.934 176.934 177.501 -0.567 25931 492 1 3 . 1 1 454 454 ILE CA C 454 65.145 65.145 65.177 -0.032 25931 493 1 3 . 1 1 454 454 ILE CB C 454 36.595 36.595 37.495 -0.900 25931 494 1 3 . 1 1 454 454 ILE H H 454 8.050 8.050 8.433 -0.383 25931 495 1 3 . 1 1 455 455 ALA N N 455 121.197 121.197 122.952 -1.755 25931 496 1 3 . 1 1 455 455 ALA C C 455 178.897 178.897 179.643 -0.746 25931 497 1 3 . 1 1 455 455 ALA CA C 455 55.346 55.346 55.506 -0.160 25931 498 1 3 . 1 1 455 455 ALA CB C 455 17.074 17.074 18.146 -1.072 25931 499 1 3 . 1 1 455 455 ALA H H 455 8.255 8.255 8.051 0.204 25931 500 1 3 . 1 1 456 456 VAL N N 456 116.760 116.760 119.255 -2.495 25931 501 1 3 . 1 1 456 456 VAL C C 456 177.513 177.513 178.029 -0.516 25931 502 1 3 . 1 1 456 456 VAL CA C 456 66.494 66.494 66.295 0.199 25931 503 1 3 . 1 1 456 456 VAL CB C 456 30.226 30.226 31.401 -1.175 25931 504 1 3 . 1 1 456 456 VAL H H 456 8.215 8.215 8.006 0.209 25931 505 1 3 . 1 1 457 457 LEU N N 457 119.491 119.491 119.714 -0.223 25931 506 1 3 . 1 1 457 457 LEU C C 457 179.589 179.589 179.166 0.423 25931 507 1 3 . 1 1 457 457 LEU CA C 457 58.056 58.056 58.094 -0.038 25931 508 1 3 . 1 1 457 457 LEU CB C 457 40.414 40.414 41.558 -1.144 25931 509 1 3 . 1 1 457 457 LEU H H 457 8.157 8.157 7.629 0.528 25931 510 1 3 . 1 1 458 458 LEU N N 458 118.534 118.534 119.042 -0.508 25931 511 1 3 . 1 1 458 458 LEU C C 458 178.949 178.949 178.913 0.036 25931 512 1 3 . 1 1 458 458 LEU CA C 458 57.395 57.395 57.841 -0.446 25931 513 1 3 . 1 1 458 458 LEU CB C 458 40.615 40.615 41.377 -0.762 25931 514 1 3 . 1 1 458 458 LEU H H 458 8.562 8.562 8.178 0.384 25931 515 1 3 . 1 1 459 459 ALA N N 459 122.364 122.364 122.449 -0.085 25931 516 1 3 . 1 1 459 459 ALA C C 459 179.842 179.842 179.694 0.148 25931 517 1 3 . 1 1 459 459 ALA CA C 459 55.173 55.173 55.181 -0.008 25931 518 1 3 . 1 1 459 459 ALA CB C 459 17.083 17.083 18.279 -1.196 25931 519 1 3 . 1 1 459 459 ALA H H 459 8.403 8.403 8.293 0.110 25931 520 1 3 . 1 1 460 460 LEU N N 460 118.056 118.056 119.380 -1.324 25931 521 1 3 . 1 1 460 460 LEU C C 460 179.308 179.308 179.380 -0.072 25931 522 1 3 . 1 1 460 460 LEU CA C 460 57.673 57.673 57.839 -0.166 25931 523 1 3 . 1 1 460 460 LEU CB C 460 40.414 40.414 41.533 -1.119 25931 524 1 3 . 1 1 460 460 LEU H H 460 8.530 8.530 7.941 0.589 25931 525 1 3 . 1 1 461 461 ARG N N 461 119.570 119.570 119.532 0.038 25931 526 1 3 . 1 1 461 461 ARG C C 461 178.608 178.608 178.670 -0.062 25931 527 1 3 . 1 1 461 461 ARG CA C 461 57.818 57.818 58.914 -1.096 25931 528 1 3 . 1 1 461 461 ARG CB C 461 28.607 28.607 29.723 -1.116 25931 529 1 3 . 1 1 461 461 ARG H H 461 8.051 8.051 7.648 0.403 25931 530 1 3 . 1 1 462 462 PHE N N 462 118.758 118.758 121.166 -2.408 25931 531 1 3 . 1 1 462 462 PHE C C 462 177.180 177.180 177.602 -0.422 25931 532 1 3 . 1 1 462 462 PHE CA C 462 60.701 60.701 61.679 -0.978 25931 533 1 3 . 1 1 462 462 PHE CB C 462 38.530 38.530 39.008 -0.478 25931 534 1 3 . 1 1 462 462 PHE H H 462 8.463 8.463 8.234 0.229 25931 535 1 3 . 1 1 463 463 CYS N N 463 116.550 116.550 117.613 -1.063 25931 536 1 3 . 1 1 463 463 CYS C C 463 176.092 176.092 177.538 -1.446 25931 537 1 3 . 1 1 463 463 CYS CA C 463 62.129 62.129 61.710 0.419 25931 538 1 3 . 1 1 463 463 CYS CB C 463 26.966 26.966 26.593 0.373 25931 539 1 3 . 1 1 463 463 CYS H H 463 8.317 8.317 8.938 -0.621 25931 540 1 3 . 1 1 464 464 GLY N N 464 107.731 107.731 109.919 -2.188 25931 541 1 3 . 1 1 464 464 GLY C C 464 174.972 174.972 176.100 -1.128 25931 542 1 3 . 1 1 464 464 GLY CA C 464 46.074 46.074 46.971 -0.897 25931 543 1 3 . 1 1 464 464 GLY H H 464 8.079 8.079 8.400 -0.321 25931 544 1 3 . 1 1 465 465 ILE N N 465 120.035 120.035 121.568 -1.533 25931 545 1 3 . 1 1 465 465 ILE C C 465 176.563 176.563 177.802 -1.239 25931 546 1 3 . 1 1 465 465 ILE CA C 465 62.500 62.500 64.195 -1.695 25931 547 1 3 . 1 1 465 465 ILE CB C 465 37.409 37.409 38.077 -0.668 25931 548 1 3 . 1 1 465 465 ILE H H 465 7.771 7.771 7.578 0.193 25931 549 1 3 . 1 1 466 466 TYR N N 466 118.754 118.754 116.738 2.016 25931 550 1 3 . 1 1 466 466 TYR C C 466 176.313 176.313 176.494 -0.181 25931 551 1 3 . 1 1 466 466 TYR CA C 466 58.506 58.506 59.185 -0.679 25931 552 1 3 . 1 1 466 466 TYR CB C 466 37.917 37.917 38.608 -0.691 25931 553 1 3 . 1 1 466 466 TYR H H 466 7.830 7.830 7.516 0.314 25931 554 1 3 . 1 1 467 467 GLY N N 467 108.001 108.001 105.572 2.429 25931 555 1 3 . 1 1 467 467 GLY C C 467 174.271 174.271 173.656 0.615 25931 556 1 3 . 1 1 467 467 GLY CA C 467 45.624 45.624 45.239 0.385 25931 557 1 3 . 1 1 467 467 GLY H H 467 7.912 7.912 8.037 -0.125 25931 558 1 3 . 1 1 468 468 TYR N N 468 119.906 119.906 119.113 0.793 25931 559 1 3 . 1 1 468 468 TYR C C 468 175.743 175.743 175.848 -0.105 25931 560 1 3 . 1 1 468 468 TYR CA C 468 58.268 58.268 58.724 -0.455 25931 561 1 3 . 1 1 468 468 TYR CB C 468 37.613 37.613 38.707 -1.094 25931 562 1 3 . 1 1 468 468 TYR H H 468 7.891 7.891 8.218 -0.327 25931 563 1 3 . 1 1 469 469 ARG N N 469 120.994 120.994 124.676 -3.682 25931 564 1 3 . 1 1 469 469 ARG C C 469 175.945 175.945 176.173 -0.228 25931 565 1 3 . 1 1 469 469 ARG CA C 469 55.536 55.536 58.276 -2.740 25931 566 1 3 . 1 1 469 469 ARG CB C 469 30.035 30.035 30.704 -0.669 25931 567 1 3 . 1 1 469 469 ARG H H 469 7.868 7.868 8.639 -0.771 25931 568 1 3 . 1 1 470 470 LEU N N 470 121.404 121.404 120.540 0.864 25931 569 1 3 . 1 1 470 470 LEU C C 470 176.689 176.689 175.902 0.787 25931 570 1 3 . 1 1 470 470 LEU CA C 470 54.908 54.908 53.904 1.004 25931 571 1 3 . 1 1 470 470 LEU CB C 470 41.077 41.077 42.861 -1.784 25931 572 1 3 . 1 1 470 470 LEU H H 470 7.906 7.906 8.043 -0.137 25931 573 1 3 . 1 1 471 471 ARG N N 471 120.513 120.513 121.356 -0.843 25931 574 1 3 . 1 1 471 471 ARG C C 471 175.778 175.778 176.182 -0.404 25931 575 1 3 . 1 1 471 471 ARG CA C 471 55.358 55.358 55.302 0.056 25931 576 1 3 . 1 1 471 471 ARG CB C 471 29.982 29.982 32.254 -2.272 25931 577 1 3 . 1 1 471 471 ARG H H 471 7.902 7.902 8.541 -0.639 25931 578 1 3 . 1 1 472 472 ARG N N 472 122.770 122.770 121.778 0.992 25931 579 1 3 . 1 1 472 472 ARG C C 472 175.428 175.428 176.810 -1.382 25931 580 1 3 . 1 1 472 472 ARG CA C 472 55.596 55.596 57.665 -2.069 25931 581 1 3 . 1 1 472 472 ARG CB C 472 29.982 29.982 30.326 -0.344 25931 582 1 3 . 1 1 472 472 ARG H H 472 8.220 8.220 8.584 -0.364 25931 583 1 4 . 1 1 431 431 LYS N N 431 121.472 121.472 124.501 -3.029 25931 584 1 4 . 1 1 431 431 LYS C C 431 176.470 176.470 177.549 -1.079 25931 585 1 4 . 1 1 431 431 LYS CA C 431 56.046 56.046 58.090 -2.044 25931 586 1 4 . 1 1 431 431 LYS CB C 431 32.213 32.213 32.580 -0.367 25931 587 1 4 . 1 1 431 431 LYS H H 431 8.503 8.503 8.568 -0.065 25931 588 1 4 . 1 1 432 432 ARG N N 432 122.845 122.845 119.197 3.648 25931 589 1 4 . 1 1 432 432 ARG C C 432 176.155 176.155 176.287 -0.132 25931 590 1 4 . 1 1 432 432 ARG CA C 432 55.385 55.385 57.028 -1.643 25931 591 1 4 . 1 1 432 432 ARG CB C 432 29.615 29.615 30.060 -0.445 25931 592 1 4 . 1 1 432 432 ARG H H 432 8.403 8.403 8.094 0.309 25931 593 1 4 . 1 1 433 433 SER N N 433 117.709 117.709 114.580 3.129 25931 594 1 4 . 1 1 433 433 SER C C 433 174.350 174.350 173.101 1.249 25931 595 1 4 . 1 1 433 433 SER CA C 433 57.970 57.970 58.528 -0.557 25931 596 1 4 . 1 1 433 433 SER CB C 433 63.389 63.389 64.180 -0.791 25931 597 1 4 . 1 1 433 433 SER H H 433 8.219 8.219 7.585 0.634 25931 598 1 4 . 1 1 434 434 TRP N N 434 122.436 122.436 121.481 0.955 25931 599 1 4 . 1 1 434 434 TRP C C 434 175.682 175.682 176.838 -1.156 25931 600 1 4 . 1 1 434 434 TRP CA C 434 56.945 56.945 56.760 0.185 25931 601 1 4 . 1 1 434 434 TRP CB C 434 28.749 28.749 31.386 -2.637 25931 602 1 4 . 1 1 434 434 TRP H H 434 8.143 8.143 8.322 -0.179 25931 603 1 4 . 1 1 435 435 ASP N N 435 119.681 119.681 121.631 -1.950 25931 604 1 4 . 1 1 435 435 ASP C C 435 175.734 175.734 176.314 -0.580 25931 605 1 4 . 1 1 435 435 ASP CA C 435 53.097 53.097 55.289 -2.192 25931 606 1 4 . 1 1 435 435 ASP CB C 435 38.446 38.446 40.235 -1.789 25931 607 1 4 . 1 1 435 435 ASP H H 435 8.107 8.107 8.661 -0.554 25931 608 1 4 . 1 1 436 436 THR N N 436 113.878 113.878 115.773 -1.895 25931 609 1 4 . 1 1 436 436 THR C C 436 174.841 174.841 174.110 0.731 25931 610 1 4 . 1 1 436 436 THR CA C 436 62.342 62.342 61.558 0.784 25931 611 1 4 . 1 1 436 436 THR CB C 436 68.789 68.789 71.198 -2.409 25931 612 1 4 . 1 1 436 436 THR H H 436 7.890 7.890 7.777 0.113 25931 613 1 4 . 1 1 437 437 GLU N N 437 121.040 121.040 125.025 -3.985 25931 614 1 4 . 1 1 437 437 GLU C C 437 176.085 176.085 176.370 -0.285 25931 615 1 4 . 1 1 437 437 GLU CA C 437 56.271 56.271 57.871 -1.600 25931 616 1 4 . 1 1 437 437 GLU CB C 437 27.760 27.760 30.233 -2.474 25931 617 1 4 . 1 1 437 437 GLU H H 437 8.178 8.178 8.764 -0.586 25931 618 1 4 . 1 1 438 438 SER N N 438 115.041 115.041 115.020 0.021 25931 619 1 4 . 1 1 438 438 SER C C 438 174.622 174.622 175.301 -0.679 25931 620 1 4 . 1 1 438 438 SER CA C 438 58.337 58.337 58.654 -0.317 25931 621 1 4 . 1 1 438 438 SER CB C 438 63.257 63.257 64.091 -0.834 25931 622 1 4 . 1 1 438 438 SER H H 438 8.014 8.014 8.021 -0.007 25931 623 1 4 . 1 1 439 439 VAL N N 439 119.164 119.164 123.195 -4.031 25931 624 1 4 . 1 1 439 439 VAL C C 439 175.866 175.866 175.575 0.291 25931 625 1 4 . 1 1 439 439 VAL CA C 439 62.223 62.223 64.481 -2.258 25931 626 1 4 . 1 1 439 439 VAL CB C 439 31.602 31.602 31.765 -0.163 25931 627 1 4 . 1 1 439 439 VAL H H 439 7.867 7.867 8.211 -0.344 25931 628 1 4 . 1 1 440 440 LEU N N 440 122.292 122.292 119.309 2.983 25931 629 1 4 . 1 1 440 440 LEU CA C 440 54.619 54.619 52.188 2.431 25931 630 1 4 . 1 1 440 440 LEU CB C 440 31.602 31.602 43.143 -11.541 25931 631 1 4 . 1 1 440 440 LEU H H 440 7.951 7.951 7.396 0.555 25931 632 1 4 . 1 1 442 442 MET C C 442 178.354 178.354 177.850 0.504 25931 633 1 4 . 1 1 443 443 TRP N N 443 117.586 117.586 118.548 -0.962 25931 634 1 4 . 1 1 443 443 TRP CA C 443 59.593 59.593 59.730 -0.137 25931 635 1 4 . 1 1 443 443 TRP CB C 443 28.461 28.461 27.615 0.846 25931 636 1 4 . 1 1 443 443 TRP H H 443 8.163 8.163 8.439 -0.276 25931 637 1 4 . 1 1 444 444 VAL C C 444 177.425 177.425 177.933 -0.508 25931 638 1 4 . 1 1 444 444 VAL CA C 444 65.850 65.850 65.340 0.510 25931 639 1 4 . 1 1 445 445 LEU N N 445 119.396 119.396 120.307 -0.911 25931 640 1 4 . 1 1 445 445 LEU C C 445 178.275 178.275 178.224 0.051 25931 641 1 4 . 1 1 445 445 LEU CA C 445 57.792 57.792 57.647 0.145 25931 642 1 4 . 1 1 445 445 LEU CB C 445 40.192 40.192 41.334 -1.142 25931 643 1 4 . 1 1 445 445 LEU H H 445 7.598 7.598 7.501 0.097 25931 644 1 4 . 1 1 446 446 ALA N N 446 119.287 119.287 121.759 -2.472 25931 645 1 4 . 1 1 446 446 ALA C C 446 178.827 178.827 179.784 -0.957 25931 646 1 4 . 1 1 446 446 ALA CA C 446 55.134 55.134 55.111 0.023 25931 647 1 4 . 1 1 446 446 ALA CB C 446 17.032 17.032 18.161 -1.129 25931 648 1 4 . 1 1 446 446 ALA H H 446 8.360 8.360 8.109 0.251 25931 649 1 4 . 1 1 447 447 LEU N N 447 117.101 117.101 119.488 -2.387 25931 650 1 4 . 1 1 447 447 LEU C C 447 178.564 178.564 179.224 -0.660 25931 651 1 4 . 1 1 447 447 LEU CA C 447 57.818 57.818 57.770 0.048 25931 652 1 4 . 1 1 447 447 LEU CB C 447 40.615 40.615 41.869 -1.254 25931 653 1 4 . 1 1 447 447 LEU H H 447 7.906 7.906 7.819 0.087 25931 654 1 4 . 1 1 448 448 ILE N N 448 118.874 118.874 119.283 -0.409 25931 655 1 4 . 1 1 448 448 ILE C C 448 177.504 177.504 178.381 -0.877 25931 656 1 4 . 1 1 448 448 ILE CA C 448 65.667 65.667 64.160 1.507 25931 657 1 4 . 1 1 448 448 ILE CB C 448 36.492 36.492 36.663 -0.171 25931 658 1 4 . 1 1 448 448 ILE H H 448 8.206 8.206 7.570 0.636 25931 659 1 4 . 1 1 449 449 VAL N N 449 118.932 118.932 120.170 -1.238 25931 660 1 4 . 1 1 449 449 VAL C C 449 179.107 179.107 178.123 0.984 25931 661 1 4 . 1 1 449 449 VAL CA C 449 66.917 66.917 67.276 -0.359 25931 662 1 4 . 1 1 449 449 VAL CB C 449 30.226 30.226 31.688 -1.462 25931 663 1 4 . 1 1 449 449 VAL H H 449 8.271 8.271 7.636 0.635 25931 664 1 4 . 1 1 450 450 ILE N N 450 123.013 123.013 120.453 2.560 25931 665 1 4 . 1 1 450 450 ILE C C 450 177.092 177.092 177.797 -0.705 25931 666 1 4 . 1 1 450 450 ILE CA C 450 65.594 65.594 65.259 0.335 25931 667 1 4 . 1 1 450 450 ILE CB C 450 36.594 36.594 37.587 -0.993 25931 668 1 4 . 1 1 450 450 ILE H H 450 8.603 8.603 7.565 1.038 25931 669 1 4 . 1 1 451 451 PHE N N 451 119.352 119.352 118.722 0.630 25931 670 1 4 . 1 1 451 451 PHE C C 451 177.408 177.408 178.080 -0.672 25931 671 1 4 . 1 1 451 451 PHE CA C 451 61.389 61.389 62.312 -0.923 25931 672 1 4 . 1 1 451 451 PHE CB C 451 37.970 37.970 38.273 -0.303 25931 673 1 4 . 1 1 451 451 PHE H H 451 8.630 8.630 7.817 0.813 25931 674 1 4 . 1 1 452 452 LEU N N 452 118.462 118.462 119.917 -1.455 25931 675 1 4 . 1 1 452 452 LEU C C 452 177.959 177.959 178.789 -0.830 25931 676 1 4 . 1 1 452 452 LEU CA C 452 57.606 57.606 58.298 -0.692 25931 677 1 4 . 1 1 452 452 LEU CB C 452 40.924 40.924 41.715 -0.791 25931 678 1 4 . 1 1 452 452 LEU H H 452 8.732 8.732 8.231 0.501 25931 679 1 4 . 1 1 453 453 THR N N 453 116.076 116.076 116.551 -0.475 25931 680 1 4 . 1 1 453 453 THR C C 453 176.199 176.199 176.971 -0.772 25931 681 1 4 . 1 1 453 453 THR CA C 453 67.919 67.919 67.592 0.327 25931 682 1 4 . 1 1 453 453 THR CB C 453 67.006 67.006 68.670 -1.664 25931 683 1 4 . 1 1 453 453 THR H H 453 8.107 8.107 8.325 -0.218 25931 684 1 4 . 1 1 454 454 ILE N N 454 120.174 120.174 121.407 -1.233 25931 685 1 4 . 1 1 454 454 ILE C C 454 176.934 176.934 176.800 0.134 25931 686 1 4 . 1 1 454 454 ILE CA C 454 65.145 65.145 64.331 0.814 25931 687 1 4 . 1 1 454 454 ILE CB C 454 36.595 36.595 37.754 -1.159 25931 688 1 4 . 1 1 454 454 ILE H H 454 8.050 8.050 8.282 -0.232 25931 689 1 4 . 1 1 455 455 ALA N N 455 121.197 121.197 122.979 -1.782 25931 690 1 4 . 1 1 455 455 ALA C C 455 178.897 178.897 179.567 -0.670 25931 691 1 4 . 1 1 455 455 ALA CA C 455 55.346 55.346 55.521 -0.175 25931 692 1 4 . 1 1 455 455 ALA CB C 455 17.074 17.074 18.109 -1.035 25931 693 1 4 . 1 1 455 455 ALA H H 455 8.255 8.255 7.932 0.323 25931 694 1 4 . 1 1 456 456 VAL N N 456 116.760 116.760 119.197 -2.437 25931 695 1 4 . 1 1 456 456 VAL C C 456 177.513 177.513 177.961 -0.448 25931 696 1 4 . 1 1 456 456 VAL CA C 456 66.494 66.494 66.082 0.412 25931 697 1 4 . 1 1 456 456 VAL CB C 456 30.226 30.226 31.379 -1.153 25931 698 1 4 . 1 1 456 456 VAL H H 456 8.215 8.215 7.816 0.399 25931 699 1 4 . 1 1 457 457 LEU N N 457 119.491 119.491 119.696 -0.205 25931 700 1 4 . 1 1 457 457 LEU C C 457 179.589 179.589 179.168 0.421 25931 701 1 4 . 1 1 457 457 LEU CA C 457 58.056 58.056 58.071 -0.015 25931 702 1 4 . 1 1 457 457 LEU CB C 457 40.414 40.414 41.574 -1.160 25931 703 1 4 . 1 1 457 457 LEU H H 457 8.157 8.157 7.469 0.688 25931 704 1 4 . 1 1 458 458 LEU N N 458 118.534 118.534 119.042 -0.508 25931 705 1 4 . 1 1 458 458 LEU C C 458 178.949 178.949 178.920 0.029 25931 706 1 4 . 1 1 458 458 LEU CA C 458 57.395 57.395 57.868 -0.473 25931 707 1 4 . 1 1 458 458 LEU CB C 458 40.615 40.615 41.385 -0.769 25931 708 1 4 . 1 1 458 458 LEU H H 458 8.562 8.562 8.092 0.470 25931 709 1 4 . 1 1 459 459 ALA N N 459 122.364 122.364 122.425 -0.061 25931 710 1 4 . 1 1 459 459 ALA C C 459 179.842 179.842 179.775 0.067 25931 711 1 4 . 1 1 459 459 ALA CA C 459 55.173 55.173 55.288 -0.115 25931 712 1 4 . 1 1 459 459 ALA CB C 459 17.083 17.083 18.134 -1.051 25931 713 1 4 . 1 1 459 459 ALA H H 459 8.403 8.403 8.152 0.251 25931 714 1 4 . 1 1 460 460 LEU N N 460 118.056 118.056 119.704 -1.648 25931 715 1 4 . 1 1 460 460 LEU C C 460 179.308 179.308 179.498 -0.190 25931 716 1 4 . 1 1 460 460 LEU CA C 460 57.673 57.673 57.472 0.201 25931 717 1 4 . 1 1 460 460 LEU CB C 460 40.414 40.414 41.597 -1.183 25931 718 1 4 . 1 1 460 460 LEU H H 460 8.530 8.530 7.920 0.610 25931 719 1 4 . 1 1 461 461 ARG N N 461 119.570 119.570 119.232 0.338 25931 720 1 4 . 1 1 461 461 ARG C C 461 178.608 178.608 178.324 0.284 25931 721 1 4 . 1 1 461 461 ARG CA C 461 57.818 57.818 58.991 -1.173 25931 722 1 4 . 1 1 461 461 ARG CB C 461 28.607 28.607 29.983 -1.376 25931 723 1 4 . 1 1 461 461 ARG H H 461 8.051 8.051 7.668 0.383 25931 724 1 4 . 1 1 462 462 PHE N N 462 118.758 118.758 121.408 -2.650 25931 725 1 4 . 1 1 462 462 PHE C C 462 177.180 177.180 177.640 -0.460 25931 726 1 4 . 1 1 462 462 PHE CA C 462 60.701 60.701 61.376 -0.675 25931 727 1 4 . 1 1 462 462 PHE CB C 462 38.530 38.530 39.258 -0.728 25931 728 1 4 . 1 1 462 462 PHE H H 462 8.463 8.463 8.473 -0.010 25931 729 1 4 . 1 1 463 463 CYS N N 463 116.550 116.550 116.996 -0.446 25931 730 1 4 . 1 1 463 463 CYS C C 463 176.092 176.092 177.400 -1.308 25931 731 1 4 . 1 1 463 463 CYS CA C 463 62.129 62.129 60.968 1.161 25931 732 1 4 . 1 1 463 463 CYS CB C 463 26.966 26.966 27.824 -0.858 25931 733 1 4 . 1 1 463 463 CYS H H 463 8.317 8.317 9.020 -0.703 25931 734 1 4 . 1 1 464 464 GLY N N 464 107.731 107.731 111.065 -3.334 25931 735 1 4 . 1 1 464 464 GLY C C 464 174.972 174.972 176.249 -1.277 25931 736 1 4 . 1 1 464 464 GLY CA C 464 46.074 46.074 47.173 -1.099 25931 737 1 4 . 1 1 464 464 GLY H H 464 8.079 8.079 8.233 -0.154 25931 738 1 4 . 1 1 465 465 ILE N N 465 120.035 120.035 121.280 -1.245 25931 739 1 4 . 1 1 465 465 ILE C C 465 176.563 176.563 178.143 -1.580 25931 740 1 4 . 1 1 465 465 ILE CA C 465 62.500 62.500 62.772 -0.272 25931 741 1 4 . 1 1 465 465 ILE CB C 465 37.409 37.409 37.005 0.404 25931 742 1 4 . 1 1 465 465 ILE H H 465 7.771 7.771 7.659 0.112 25931 743 1 4 . 1 1 466 466 TYR N N 466 118.754 118.754 117.685 1.069 25931 744 1 4 . 1 1 466 466 TYR C C 466 176.313 176.313 177.043 -0.730 25931 745 1 4 . 1 1 466 466 TYR CA C 466 58.506 58.506 59.462 -0.956 25931 746 1 4 . 1 1 466 466 TYR CB C 466 37.917 37.917 38.812 -0.895 25931 747 1 4 . 1 1 466 466 TYR H H 466 7.830 7.830 7.644 0.186 25931 748 1 4 . 1 1 467 467 GLY N N 467 108.001 108.001 105.789 2.212 25931 749 1 4 . 1 1 467 467 GLY C C 467 174.271 174.271 174.729 -0.458 25931 750 1 4 . 1 1 467 467 GLY CA C 467 45.624 45.624 45.326 0.298 25931 751 1 4 . 1 1 467 467 GLY H H 467 7.912 7.912 7.910 0.002 25931 752 1 4 . 1 1 468 468 TYR N N 468 119.906 119.906 118.635 1.271 25931 753 1 4 . 1 1 468 468 TYR C C 468 175.743 175.743 176.340 -0.597 25931 754 1 4 . 1 1 468 468 TYR CA C 468 58.268 58.268 57.698 0.570 25931 755 1 4 . 1 1 468 468 TYR CB C 468 37.613 37.613 38.101 -0.488 25931 756 1 4 . 1 1 468 468 TYR H H 468 7.891 7.891 8.452 -0.561 25931 757 1 4 . 1 1 469 469 ARG N N 469 120.994 120.994 120.300 0.694 25931 758 1 4 . 1 1 469 469 ARG C C 469 175.945 175.945 176.133 -0.188 25931 759 1 4 . 1 1 469 469 ARG CA C 469 55.536 55.536 58.250 -2.714 25931 760 1 4 . 1 1 469 469 ARG CB C 469 30.035 30.035 30.830 -0.795 25931 761 1 4 . 1 1 469 469 ARG H H 469 7.868 7.868 7.794 0.074 25931 762 1 4 . 1 1 470 470 LEU N N 470 121.404 121.404 118.686 2.718 25931 763 1 4 . 1 1 470 470 LEU C C 470 176.689 176.689 177.202 -0.513 25931 764 1 4 . 1 1 470 470 LEU CA C 470 54.908 54.908 53.329 1.579 25931 765 1 4 . 1 1 470 470 LEU CB C 470 41.077 41.077 42.873 -1.796 25931 766 1 4 . 1 1 470 470 LEU H H 470 7.906 7.906 7.848 0.058 25931 767 1 4 . 1 1 471 471 ARG N N 471 120.513 120.513 122.789 -2.276 25931 768 1 4 . 1 1 471 471 ARG C C 471 175.778 175.778 178.093 -2.315 25931 769 1 4 . 1 1 471 471 ARG CA C 471 55.358 55.358 58.482 -3.124 25931 770 1 4 . 1 1 471 471 ARG CB C 471 29.982 29.982 30.284 -0.302 25931 771 1 4 . 1 1 471 471 ARG H H 471 7.902 7.902 8.777 -0.875 25931 772 1 4 . 1 1 472 472 ARG N N 472 122.770 122.770 120.669 2.101 25931 773 1 4 . 1 1 472 472 ARG C C 472 175.428 175.428 176.132 -0.704 25931 774 1 4 . 1 1 472 472 ARG CA C 472 55.596 55.596 58.171 -2.575 25931 775 1 4 . 1 1 472 472 ARG CB C 472 29.982 29.982 30.321 -0.339 25931 776 1 4 . 1 1 472 472 ARG H H 472 8.220 8.220 8.098 0.122 25931 777 1 5 . 1 1 431 431 LYS N N 431 121.472 121.472 121.347 0.125 25931 778 1 5 . 1 1 431 431 LYS C C 431 176.470 176.470 175.586 0.884 25931 779 1 5 . 1 1 431 431 LYS CA C 431 56.046 56.046 55.607 0.439 25931 780 1 5 . 1 1 431 431 LYS CB C 431 32.213 32.213 34.099 -1.886 25931 781 1 5 . 1 1 431 431 LYS H H 431 8.503 8.503 8.274 0.229 25931 782 1 5 . 1 1 432 432 ARG N N 432 122.845 122.845 123.430 -0.585 25931 783 1 5 . 1 1 432 432 ARG C C 432 176.155 176.155 176.150 0.005 25931 784 1 5 . 1 1 432 432 ARG CA C 432 55.385 55.385 56.184 -0.799 25931 785 1 5 . 1 1 432 432 ARG CB C 432 29.615 29.615 30.486 -0.871 25931 786 1 5 . 1 1 432 432 ARG H H 432 8.403 8.403 8.394 0.009 25931 787 1 5 . 1 1 433 433 SER N N 433 117.709 117.709 118.702 -0.993 25931 788 1 5 . 1 1 433 433 SER C C 433 174.350 174.350 173.202 1.148 25931 789 1 5 . 1 1 433 433 SER CA C 433 57.970 57.970 57.722 0.248 25931 790 1 5 . 1 1 433 433 SER CB C 433 63.389 63.389 64.396 -1.007 25931 791 1 5 . 1 1 433 433 SER H H 433 8.219 8.219 8.242 -0.023 25931 792 1 5 . 1 1 434 434 TRP N N 434 122.436 122.436 122.215 0.221 25931 793 1 5 . 1 1 434 434 TRP C C 434 175.682 175.682 175.728 -0.046 25931 794 1 5 . 1 1 434 434 TRP CA C 434 56.945 56.945 56.414 0.531 25931 795 1 5 . 1 1 434 434 TRP CB C 434 28.749 28.749 31.038 -2.289 25931 796 1 5 . 1 1 434 434 TRP H H 434 8.143 8.143 8.252 -0.109 25931 797 1 5 . 1 1 435 435 ASP N N 435 119.681 119.681 123.062 -3.381 25931 798 1 5 . 1 1 435 435 ASP C C 435 175.734 175.734 176.607 -0.873 25931 799 1 5 . 1 1 435 435 ASP CA C 435 53.097 53.097 54.449 -1.351 25931 800 1 5 . 1 1 435 435 ASP CB C 435 38.446 38.446 41.657 -3.211 25931 801 1 5 . 1 1 435 435 ASP H H 435 8.107 8.107 8.483 -0.376 25931 802 1 5 . 1 1 436 436 THR N N 436 113.878 113.878 117.663 -3.785 25931 803 1 5 . 1 1 436 436 THR C C 436 174.841 174.841 174.601 0.240 25931 804 1 5 . 1 1 436 436 THR CA C 436 62.342 62.342 63.277 -0.935 25931 805 1 5 . 1 1 436 436 THR CB C 436 68.789 68.789 69.454 -0.665 25931 806 1 5 . 1 1 436 436 THR H H 436 7.890 7.890 8.289 -0.399 25931 807 1 5 . 1 1 437 437 GLU N N 437 121.040 121.040 127.328 -6.288 25931 808 1 5 . 1 1 437 437 GLU C C 437 176.085 176.085 176.147 -0.062 25931 809 1 5 . 1 1 437 437 GLU CA C 437 56.271 56.271 55.928 0.343 25931 810 1 5 . 1 1 437 437 GLU CB C 437 27.760 27.760 30.163 -2.403 25931 811 1 5 . 1 1 437 437 GLU H H 437 8.178 8.178 8.757 -0.579 25931 812 1 5 . 1 1 438 438 SER N N 438 115.041 115.041 121.046 -6.005 25931 813 1 5 . 1 1 438 438 SER C C 438 174.622 174.622 175.585 -0.963 25931 814 1 5 . 1 1 438 438 SER CA C 438 58.337 58.337 61.323 -2.986 25931 815 1 5 . 1 1 438 438 SER CB C 438 63.257 63.257 63.274 -0.017 25931 816 1 5 . 1 1 438 438 SER H H 438 8.014 8.014 8.920 -0.906 25931 817 1 5 . 1 1 439 439 VAL N N 439 119.164 119.164 116.973 2.191 25931 818 1 5 . 1 1 439 439 VAL C C 439 175.866 175.866 175.886 -0.020 25931 819 1 5 . 1 1 439 439 VAL CA C 439 62.223 62.223 64.157 -1.934 25931 820 1 5 . 1 1 439 439 VAL CB C 439 31.602 31.602 32.023 -0.421 25931 821 1 5 . 1 1 439 439 VAL H H 439 7.867 7.867 7.771 0.096 25931 822 1 5 . 1 1 440 440 LEU N N 440 122.292 122.292 121.707 0.585 25931 823 1 5 . 1 1 440 440 LEU CA C 440 54.619 54.619 52.482 2.137 25931 824 1 5 . 1 1 440 440 LEU CB C 440 31.602 31.602 42.423 -10.821 25931 825 1 5 . 1 1 440 440 LEU H H 440 7.951 7.951 7.747 0.204 25931 826 1 5 . 1 1 442 442 MET C C 442 178.354 178.354 177.845 0.509 25931 827 1 5 . 1 1 443 443 TRP N N 443 117.586 117.586 118.990 -1.404 25931 828 1 5 . 1 1 443 443 TRP CA C 443 59.593 59.593 59.988 -0.395 25931 829 1 5 . 1 1 443 443 TRP CB C 443 28.461 28.461 27.697 0.764 25931 830 1 5 . 1 1 443 443 TRP H H 443 8.163 8.163 8.031 0.132 25931 831 1 5 . 1 1 444 444 VAL C C 444 177.425 177.425 177.825 -0.400 25931 832 1 5 . 1 1 444 444 VAL CA C 444 65.850 65.850 65.397 0.453 25931 833 1 5 . 1 1 445 445 LEU N N 445 119.396 119.396 119.322 0.074 25931 834 1 5 . 1 1 445 445 LEU C C 445 178.275 178.275 178.783 -0.508 25931 835 1 5 . 1 1 445 445 LEU CA C 445 57.792 57.792 57.798 -0.006 25931 836 1 5 . 1 1 445 445 LEU CB C 445 40.192 40.192 41.343 -1.151 25931 837 1 5 . 1 1 445 445 LEU H H 445 7.598 7.598 7.291 0.307 25931 838 1 5 . 1 1 446 446 ALA N N 446 119.287 119.287 121.983 -2.696 25931 839 1 5 . 1 1 446 446 ALA C C 446 178.827 178.827 179.685 -0.858 25931 840 1 5 . 1 1 446 446 ALA CA C 446 55.134 55.134 55.077 0.057 25931 841 1 5 . 1 1 446 446 ALA CB C 446 17.032 17.032 18.188 -1.156 25931 842 1 5 . 1 1 446 446 ALA H H 446 8.360 8.360 7.777 0.583 25931 843 1 5 . 1 1 447 447 LEU N N 447 117.101 117.101 119.236 -2.135 25931 844 1 5 . 1 1 447 447 LEU C C 447 178.564 178.564 179.116 -0.552 25931 845 1 5 . 1 1 447 447 LEU CA C 447 57.818 57.818 57.853 -0.035 25931 846 1 5 . 1 1 447 447 LEU CB C 447 40.615 40.615 41.927 -1.312 25931 847 1 5 . 1 1 447 447 LEU H H 447 7.906 7.906 7.810 0.096 25931 848 1 5 . 1 1 448 448 ILE N N 448 118.874 118.874 119.539 -0.665 25931 849 1 5 . 1 1 448 448 ILE C C 448 177.504 177.504 178.083 -0.579 25931 850 1 5 . 1 1 448 448 ILE CA C 448 65.667 65.667 65.572 0.095 25931 851 1 5 . 1 1 448 448 ILE CB C 448 36.492 36.492 37.668 -1.176 25931 852 1 5 . 1 1 448 448 ILE H H 448 8.206 8.206 7.507 0.699 25931 853 1 5 . 1 1 449 449 VAL N N 449 118.932 118.932 120.048 -1.116 25931 854 1 5 . 1 1 449 449 VAL C C 449 179.107 179.107 177.967 1.140 25931 855 1 5 . 1 1 449 449 VAL CA C 449 66.917 66.917 66.904 0.013 25931 856 1 5 . 1 1 449 449 VAL CB C 449 30.226 30.226 31.213 -0.987 25931 857 1 5 . 1 1 449 449 VAL H H 449 8.271 8.271 7.552 0.719 25931 858 1 5 . 1 1 450 450 ILE N N 450 123.013 123.013 120.333 2.680 25931 859 1 5 . 1 1 450 450 ILE C C 450 177.092 177.092 177.748 -0.656 25931 860 1 5 . 1 1 450 450 ILE CA C 450 65.594 65.594 65.368 0.226 25931 861 1 5 . 1 1 450 450 ILE CB C 450 36.594 36.594 37.560 -0.966 25931 862 1 5 . 1 1 450 450 ILE H H 450 8.603 8.603 7.520 1.083 25931 863 1 5 . 1 1 451 451 PHE N N 451 119.352 119.352 118.699 0.653 25931 864 1 5 . 1 1 451 451 PHE C C 451 177.408 177.408 178.081 -0.673 25931 865 1 5 . 1 1 451 451 PHE CA C 451 61.389 61.389 62.349 -0.960 25931 866 1 5 . 1 1 451 451 PHE CB C 451 37.970 37.970 38.279 -0.309 25931 867 1 5 . 1 1 451 451 PHE H H 451 8.630 8.630 7.858 0.772 25931 868 1 5 . 1 1 452 452 LEU N N 452 118.462 118.462 119.928 -1.466 25931 869 1 5 . 1 1 452 452 LEU C C 452 177.959 177.959 178.637 -0.678 25931 870 1 5 . 1 1 452 452 LEU CA C 452 57.606 57.606 58.264 -0.658 25931 871 1 5 . 1 1 452 452 LEU CB C 452 40.924 40.924 41.575 -0.651 25931 872 1 5 . 1 1 452 452 LEU H H 452 8.732 8.732 8.238 0.494 25931 873 1 5 . 1 1 453 453 THR N N 453 116.076 116.076 116.595 -0.519 25931 874 1 5 . 1 1 453 453 THR C C 453 176.199 176.199 176.980 -0.781 25931 875 1 5 . 1 1 453 453 THR CA C 453 67.919 67.919 67.256 0.663 25931 876 1 5 . 1 1 453 453 THR CB C 453 67.006 67.006 68.404 -1.398 25931 877 1 5 . 1 1 453 453 THR H H 453 8.107 8.107 8.309 -0.202 25931 878 1 5 . 1 1 454 454 ILE N N 454 120.174 120.174 121.052 -0.878 25931 879 1 5 . 1 1 454 454 ILE C C 454 176.934 176.934 176.772 0.162 25931 880 1 5 . 1 1 454 454 ILE CA C 454 65.145 65.145 64.294 0.851 25931 881 1 5 . 1 1 454 454 ILE CB C 454 36.595 36.595 37.726 -1.131 25931 882 1 5 . 1 1 454 454 ILE H H 454 8.050 8.050 8.288 -0.238 25931 883 1 5 . 1 1 455 455 ALA N N 455 121.197 121.197 122.900 -1.703 25931 884 1 5 . 1 1 455 455 ALA C C 455 178.897 178.897 179.698 -0.801 25931 885 1 5 . 1 1 455 455 ALA CA C 455 55.346 55.346 55.509 -0.163 25931 886 1 5 . 1 1 455 455 ALA CB C 455 17.074 17.074 18.101 -1.027 25931 887 1 5 . 1 1 455 455 ALA H H 455 8.255 8.255 7.903 0.352 25931 888 1 5 . 1 1 456 456 VAL N N 456 116.760 116.760 118.832 -2.072 25931 889 1 5 . 1 1 456 456 VAL C C 456 177.513 177.513 178.118 -0.605 25931 890 1 5 . 1 1 456 456 VAL CA C 456 66.494 66.494 67.076 -0.582 25931 891 1 5 . 1 1 456 456 VAL CB C 456 30.226 30.226 31.387 -1.161 25931 892 1 5 . 1 1 456 456 VAL H H 456 8.215 8.215 7.826 0.389 25931 893 1 5 . 1 1 457 457 LEU N N 457 119.491 119.491 119.901 -0.410 25931 894 1 5 . 1 1 457 457 LEU C C 457 179.589 179.589 179.329 0.260 25931 895 1 5 . 1 1 457 457 LEU CA C 457 58.056 58.056 58.046 0.010 25931 896 1 5 . 1 1 457 457 LEU CB C 457 40.414 40.414 41.631 -1.217 25931 897 1 5 . 1 1 457 457 LEU H H 457 8.157 8.157 7.496 0.661 25931 898 1 5 . 1 1 458 458 LEU N N 458 118.534 118.534 119.047 -0.513 25931 899 1 5 . 1 1 458 458 LEU C C 458 178.949 178.949 178.948 0.001 25931 900 1 5 . 1 1 458 458 LEU CA C 458 57.395 57.395 57.875 -0.480 25931 901 1 5 . 1 1 458 458 LEU CB C 458 40.615 40.615 41.410 -0.795 25931 902 1 5 . 1 1 458 458 LEU H H 458 8.562 8.562 8.237 0.325 25931 903 1 5 . 1 1 459 459 ALA N N 459 122.364 122.364 122.470 -0.106 25931 904 1 5 . 1 1 459 459 ALA C C 459 179.842 179.842 179.731 0.111 25931 905 1 5 . 1 1 459 459 ALA CA C 459 55.173 55.173 55.228 -0.055 25931 906 1 5 . 1 1 459 459 ALA CB C 459 17.083 17.083 18.301 -1.218 25931 907 1 5 . 1 1 459 459 ALA H H 459 8.403 8.403 8.314 0.089 25931 908 1 5 . 1 1 460 460 LEU N N 460 118.056 118.056 119.433 -1.377 25931 909 1 5 . 1 1 460 460 LEU C C 460 179.308 179.308 179.399 -0.091 25931 910 1 5 . 1 1 460 460 LEU CA C 460 57.673 57.673 57.823 -0.150 25931 911 1 5 . 1 1 460 460 LEU CB C 460 40.414 40.414 41.503 -1.089 25931 912 1 5 . 1 1 460 460 LEU H H 460 8.530 8.530 7.931 0.599 25931 913 1 5 . 1 1 461 461 ARG N N 461 119.570 119.570 119.496 0.074 25931 914 1 5 . 1 1 461 461 ARG C C 461 178.608 178.608 178.713 -0.105 25931 915 1 5 . 1 1 461 461 ARG CA C 461 57.818 57.818 58.929 -1.111 25931 916 1 5 . 1 1 461 461 ARG CB C 461 28.607 28.607 29.743 -1.136 25931 917 1 5 . 1 1 461 461 ARG H H 461 8.051 8.051 7.654 0.397 25931 918 1 5 . 1 1 462 462 PHE N N 462 118.758 118.758 121.083 -2.325 25931 919 1 5 . 1 1 462 462 PHE C C 462 177.180 177.180 177.687 -0.507 25931 920 1 5 . 1 1 462 462 PHE CA C 462 60.701 60.701 61.672 -0.971 25931 921 1 5 . 1 1 462 462 PHE CB C 462 38.530 38.530 39.080 -0.549 25931 922 1 5 . 1 1 462 462 PHE H H 462 8.463 8.463 8.272 0.191 25931 923 1 5 . 1 1 463 463 CYS N N 463 116.550 116.550 117.566 -1.016 25931 924 1 5 . 1 1 463 463 CYS C C 463 176.092 176.092 177.488 -1.396 25931 925 1 5 . 1 1 463 463 CYS CA C 463 62.129 62.129 61.908 0.221 25931 926 1 5 . 1 1 463 463 CYS CB C 463 26.966 26.966 27.056 -0.090 25931 927 1 5 . 1 1 463 463 CYS H H 463 8.317 8.317 9.086 -0.769 25931 928 1 5 . 1 1 464 464 GLY N N 464 107.731 107.731 110.029 -2.298 25931 929 1 5 . 1 1 464 464 GLY C C 464 174.972 174.972 176.087 -1.115 25931 930 1 5 . 1 1 464 464 GLY CA C 464 46.074 46.074 47.044 -0.970 25931 931 1 5 . 1 1 464 464 GLY H H 464 8.079 8.079 8.434 -0.355 25931 932 1 5 . 1 1 465 465 ILE N N 465 120.035 120.035 121.745 -1.710 25931 933 1 5 . 1 1 465 465 ILE C C 465 176.563 176.563 177.032 -0.469 25931 934 1 5 . 1 1 465 465 ILE CA C 465 62.500 62.500 64.254 -1.754 25931 935 1 5 . 1 1 465 465 ILE CB C 465 37.409 37.409 37.950 -0.541 25931 936 1 5 . 1 1 465 465 ILE H H 465 7.771 7.771 7.482 0.289 25931 937 1 5 . 1 1 466 466 TYR N N 466 118.754 118.754 116.288 2.466 25931 938 1 5 . 1 1 466 466 TYR C C 466 176.313 176.313 177.049 -0.736 25931 939 1 5 . 1 1 466 466 TYR CA C 466 58.506 58.506 59.366 -0.860 25931 940 1 5 . 1 1 466 466 TYR CB C 466 37.917 37.917 38.981 -1.064 25931 941 1 5 . 1 1 466 466 TYR H H 466 7.830 7.830 7.516 0.314 25931 942 1 5 . 1 1 467 467 GLY N N 467 108.001 108.001 106.303 1.698 25931 943 1 5 . 1 1 467 467 GLY C C 467 174.271 174.271 174.557 -0.286 25931 944 1 5 . 1 1 467 467 GLY CA C 467 45.624 45.624 45.243 0.381 25931 945 1 5 . 1 1 467 467 GLY H H 467 7.912 7.912 8.116 -0.204 25931 946 1 5 . 1 1 468 468 TYR N N 468 119.906 119.906 118.393 1.513 25931 947 1 5 . 1 1 468 468 TYR C C 468 175.743 175.743 174.720 1.023 25931 948 1 5 . 1 1 468 468 TYR CA C 468 58.268 58.268 59.284 -1.016 25931 949 1 5 . 1 1 468 468 TYR CB C 468 37.613 37.613 37.394 0.219 25931 950 1 5 . 1 1 468 468 TYR H H 468 7.891 7.891 8.361 -0.470 25931 951 1 5 . 1 1 469 469 ARG N N 469 120.994 120.994 118.362 2.632 25931 952 1 5 . 1 1 469 469 ARG C C 469 175.945 175.945 176.180 -0.235 25931 953 1 5 . 1 1 469 469 ARG CA C 469 55.536 55.536 58.174 -2.638 25931 954 1 5 . 1 1 469 469 ARG CB C 469 30.035 30.035 30.738 -0.702 25931 955 1 5 . 1 1 469 469 ARG H H 469 7.868 7.868 7.764 0.104 25931 956 1 5 . 1 1 470 470 LEU N N 470 121.404 121.404 119.690 1.714 25931 957 1 5 . 1 1 470 470 LEU C C 470 176.689 176.689 176.440 0.249 25931 958 1 5 . 1 1 470 470 LEU CA C 470 54.908 54.908 54.686 0.222 25931 959 1 5 . 1 1 470 470 LEU CB C 470 41.077 41.077 42.165 -1.088 25931 960 1 5 . 1 1 470 470 LEU H H 470 7.906 7.906 7.651 0.255 25931 961 1 5 . 1 1 471 471 ARG N N 471 120.513 120.513 119.925 0.588 25931 962 1 5 . 1 1 471 471 ARG C C 471 175.778 175.778 176.259 -0.481 25931 963 1 5 . 1 1 471 471 ARG CA C 471 55.358 55.358 55.137 0.221 25931 964 1 5 . 1 1 471 471 ARG CB C 471 29.982 29.982 31.990 -2.008 25931 965 1 5 . 1 1 471 471 ARG H H 471 7.902 7.902 8.261 -0.359 25931 966 1 5 . 1 1 472 472 ARG N N 472 122.770 122.770 124.775 -2.005 25931 967 1 5 . 1 1 472 472 ARG C C 472 175.428 175.428 176.449 -1.021 25931 968 1 5 . 1 1 472 472 ARG CA C 472 55.596 55.596 57.622 -2.026 25931 969 1 5 . 1 1 472 472 ARG CB C 472 29.982 29.982 30.410 -0.428 25931 970 1 5 . 1 1 472 472 ARG H H 472 8.220 8.220 8.844 -0.624 25931 971 1 6 . 1 1 431 431 LYS N N 431 121.472 121.472 124.824 -3.352 25931 972 1 6 . 1 1 431 431 LYS C C 431 176.470 176.470 178.449 -1.979 25931 973 1 6 . 1 1 431 431 LYS CA C 431 56.046 56.046 59.064 -3.018 25931 974 1 6 . 1 1 431 431 LYS CB C 431 32.213 32.213 32.734 -0.521 25931 975 1 6 . 1 1 431 431 LYS H H 431 8.503 8.503 8.697 -0.194 25931 976 1 6 . 1 1 432 432 ARG N N 432 122.845 122.845 119.035 3.810 25931 977 1 6 . 1 1 432 432 ARG C C 432 176.155 176.155 178.687 -2.532 25931 978 1 6 . 1 1 432 432 ARG CA C 432 55.385 55.385 59.454 -4.069 25931 979 1 6 . 1 1 432 432 ARG CB C 432 29.615 29.615 29.704 -0.089 25931 980 1 6 . 1 1 432 432 ARG H H 432 8.403 8.403 8.632 -0.229 25931 981 1 6 . 1 1 433 433 SER N N 433 117.709 117.709 116.072 1.637 25931 982 1 6 . 1 1 433 433 SER C C 433 174.350 174.350 175.271 -0.921 25931 983 1 6 . 1 1 433 433 SER CA C 433 57.970 57.970 61.105 -3.135 25931 984 1 6 . 1 1 433 433 SER CB C 433 63.389 63.389 62.686 0.703 25931 985 1 6 . 1 1 433 433 SER H H 433 8.219 8.219 8.147 0.072 25931 986 1 6 . 1 1 434 434 TRP N N 434 122.436 122.436 121.691 0.745 25931 987 1 6 . 1 1 434 434 TRP C C 434 175.682 175.682 177.395 -1.713 25931 988 1 6 . 1 1 434 434 TRP CA C 434 56.945 56.945 60.207 -3.262 25931 989 1 6 . 1 1 434 434 TRP CB C 434 28.749 28.749 29.604 -0.855 25931 990 1 6 . 1 1 434 434 TRP H H 434 8.143 8.143 7.926 0.217 25931 991 1 6 . 1 1 435 435 ASP N N 435 119.681 119.681 118.531 1.150 25931 992 1 6 . 1 1 435 435 ASP C C 435 175.734 175.734 177.426 -1.692 25931 993 1 6 . 1 1 435 435 ASP CA C 435 53.097 53.097 56.107 -3.010 25931 994 1 6 . 1 1 435 435 ASP CB C 435 38.446 38.446 41.425 -2.979 25931 995 1 6 . 1 1 435 435 ASP H H 435 8.107 8.107 7.895 0.212 25931 996 1 6 . 1 1 436 436 THR N N 436 113.878 113.878 112.362 1.516 25931 997 1 6 . 1 1 436 436 THR C C 436 174.841 174.841 173.812 1.029 25931 998 1 6 . 1 1 436 436 THR CA C 436 62.342 62.342 61.365 0.977 25931 999 1 6 . 1 1 436 436 THR CB C 436 68.789 68.789 70.105 -1.316 25931 1000 1 6 . 1 1 436 436 THR H H 436 7.890 7.890 7.625 0.265 25931 1001 1 6 . 1 1 437 437 GLU N N 437 121.040 121.040 120.316 0.724 25931 1002 1 6 . 1 1 437 437 GLU C C 437 176.085 176.085 176.539 -0.454 25931 1003 1 6 . 1 1 437 437 GLU CA C 437 56.271 56.271 55.442 0.829 25931 1004 1 6 . 1 1 437 437 GLU CB C 437 27.760 27.760 31.934 -4.175 25931 1005 1 6 . 1 1 437 437 GLU H H 437 8.178 8.178 8.350 -0.172 25931 1006 1 6 . 1 1 438 438 SER N N 438 115.041 115.041 117.908 -2.867 25931 1007 1 6 . 1 1 438 438 SER C C 438 174.622 174.622 175.510 -0.888 25931 1008 1 6 . 1 1 438 438 SER CA C 438 58.337 58.337 58.052 0.285 25931 1009 1 6 . 1 1 438 438 SER CB C 438 63.257 63.257 64.000 -0.743 25931 1010 1 6 . 1 1 438 438 SER H H 438 8.014 8.014 8.434 -0.420 25931 1011 1 6 . 1 1 439 439 VAL N N 439 119.164 119.164 120.527 -1.363 25931 1012 1 6 . 1 1 439 439 VAL C C 439 175.866 175.866 176.210 -0.344 25931 1013 1 6 . 1 1 439 439 VAL CA C 439 62.223 62.223 63.989 -1.766 25931 1014 1 6 . 1 1 439 439 VAL CB C 439 31.602 31.602 31.912 -0.310 25931 1015 1 6 . 1 1 439 439 VAL H H 439 7.867 7.867 8.116 -0.249 25931 1016 1 6 . 1 1 440 440 LEU N N 440 122.292 122.292 122.046 0.246 25931 1017 1 6 . 1 1 440 440 LEU CA C 440 54.619 54.619 52.668 1.951 25931 1018 1 6 . 1 1 440 440 LEU CB C 440 31.602 31.602 41.787 -10.185 25931 1019 1 6 . 1 1 440 440 LEU H H 440 7.951 7.951 7.643 0.308 25931 1020 1 6 . 1 1 442 442 MET C C 442 178.354 178.354 177.872 0.482 25931 1021 1 6 . 1 1 443 443 TRP N N 443 117.586 117.586 119.574 -1.988 25931 1022 1 6 . 1 1 443 443 TRP CA C 443 59.593 59.593 59.849 -0.256 25931 1023 1 6 . 1 1 443 443 TRP CB C 443 28.461 28.461 27.901 0.560 25931 1024 1 6 . 1 1 443 443 TRP H H 443 8.163 8.163 8.359 -0.196 25931 1025 1 6 . 1 1 444 444 VAL C C 444 177.425 177.425 177.582 -0.157 25931 1026 1 6 . 1 1 444 444 VAL CA C 444 65.850 65.850 64.611 1.239 25931 1027 1 6 . 1 1 445 445 LEU N N 445 119.396 119.396 121.134 -1.738 25931 1028 1 6 . 1 1 445 445 LEU C C 445 178.275 178.275 178.318 -0.043 25931 1029 1 6 . 1 1 445 445 LEU CA C 445 57.792 57.792 57.733 0.059 25931 1030 1 6 . 1 1 445 445 LEU CB C 445 40.192 40.192 41.051 -0.859 25931 1031 1 6 . 1 1 445 445 LEU H H 445 7.598 7.598 7.313 0.285 25931 1032 1 6 . 1 1 446 446 ALA N N 446 119.287 119.287 121.611 -2.324 25931 1033 1 6 . 1 1 446 446 ALA C C 446 178.827 178.827 179.730 -0.903 25931 1034 1 6 . 1 1 446 446 ALA CA C 446 55.134 55.134 55.068 0.066 25931 1035 1 6 . 1 1 446 446 ALA CB C 446 17.032 17.032 18.159 -1.127 25931 1036 1 6 . 1 1 446 446 ALA H H 446 8.360 8.360 8.219 0.141 25931 1037 1 6 . 1 1 447 447 LEU N N 447 117.101 117.101 119.235 -2.134 25931 1038 1 6 . 1 1 447 447 LEU C C 447 178.564 178.564 179.128 -0.564 25931 1039 1 6 . 1 1 447 447 LEU CA C 447 57.818 57.818 57.842 -0.024 25931 1040 1 6 . 1 1 447 447 LEU CB C 447 40.615 40.615 41.955 -1.340 25931 1041 1 6 . 1 1 447 447 LEU H H 447 7.906 7.906 7.676 0.230 25931 1042 1 6 . 1 1 448 448 ILE N N 448 118.874 118.874 119.208 -0.334 25931 1043 1 6 . 1 1 448 448 ILE C C 448 177.504 177.504 178.135 -0.631 25931 1044 1 6 . 1 1 448 448 ILE CA C 448 65.667 65.667 65.543 0.124 25931 1045 1 6 . 1 1 448 448 ILE CB C 448 36.492 36.492 37.711 -1.219 25931 1046 1 6 . 1 1 448 448 ILE H H 448 8.206 8.206 7.535 0.671 25931 1047 1 6 . 1 1 449 449 VAL N N 449 118.932 118.932 119.744 -0.812 25931 1048 1 6 . 1 1 449 449 VAL C C 449 179.107 179.107 178.129 0.978 25931 1049 1 6 . 1 1 449 449 VAL CA C 449 66.917 66.917 66.990 -0.073 25931 1050 1 6 . 1 1 449 449 VAL CB C 449 30.226 30.226 31.258 -1.032 25931 1051 1 6 . 1 1 449 449 VAL H H 449 8.271 8.271 7.621 0.650 25931 1052 1 6 . 1 1 450 450 ILE N N 450 123.013 123.013 117.686 5.327 25931 1053 1 6 . 1 1 450 450 ILE C C 450 177.092 177.092 177.529 -0.437 25931 1054 1 6 . 1 1 450 450 ILE CA C 450 65.594 65.594 65.098 0.496 25931 1055 1 6 . 1 1 450 450 ILE CB C 450 36.594 36.594 37.144 -0.549 25931 1056 1 6 . 1 1 450 450 ILE H H 450 8.603 8.603 7.487 1.116 25931 1057 1 6 . 1 1 451 451 PHE N N 451 119.352 119.352 120.041 -0.689 25931 1058 1 6 . 1 1 451 451 PHE C C 451 177.408 177.408 177.998 -0.590 25931 1059 1 6 . 1 1 451 451 PHE CA C 451 61.389 61.389 62.329 -0.940 25931 1060 1 6 . 1 1 451 451 PHE CB C 451 37.970 37.970 38.253 -0.283 25931 1061 1 6 . 1 1 451 451 PHE H H 451 8.630 8.630 7.516 1.114 25931 1062 1 6 . 1 1 452 452 LEU N N 452 118.462 118.462 119.427 -0.965 25931 1063 1 6 . 1 1 452 452 LEU C C 452 177.959 177.959 179.035 -1.076 25931 1064 1 6 . 1 1 452 452 LEU CA C 452 57.606 57.606 58.114 -0.508 25931 1065 1 6 . 1 1 452 452 LEU CB C 452 40.924 40.924 41.459 -0.535 25931 1066 1 6 . 1 1 452 452 LEU H H 452 8.732 8.732 8.088 0.644 25931 1067 1 6 . 1 1 453 453 THR N N 453 116.076 116.076 116.618 -0.542 25931 1068 1 6 . 1 1 453 453 THR C C 453 176.199 176.199 176.739 -0.540 25931 1069 1 6 . 1 1 453 453 THR CA C 453 67.919 67.919 67.151 0.768 25931 1070 1 6 . 1 1 453 453 THR CB C 453 67.006 67.006 68.415 -1.409 25931 1071 1 6 . 1 1 453 453 THR H H 453 8.107 8.107 8.331 -0.224 25931 1072 1 6 . 1 1 454 454 ILE N N 454 120.174 120.174 121.047 -0.873 25931 1073 1 6 . 1 1 454 454 ILE C C 454 176.934 176.934 177.451 -0.517 25931 1074 1 6 . 1 1 454 454 ILE CA C 454 65.145 65.145 65.449 -0.304 25931 1075 1 6 . 1 1 454 454 ILE CB C 454 36.595 36.595 37.582 -0.987 25931 1076 1 6 . 1 1 454 454 ILE H H 454 8.050 8.050 8.359 -0.309 25931 1077 1 6 . 1 1 455 455 ALA N N 455 121.197 121.197 122.893 -1.696 25931 1078 1 6 . 1 1 455 455 ALA C C 455 178.897 178.897 179.691 -0.794 25931 1079 1 6 . 1 1 455 455 ALA CA C 455 55.346 55.346 55.521 -0.175 25931 1080 1 6 . 1 1 455 455 ALA CB C 455 17.074 17.074 18.157 -1.083 25931 1081 1 6 . 1 1 455 455 ALA H H 455 8.255 8.255 8.047 0.208 25931 1082 1 6 . 1 1 456 456 VAL N N 456 116.760 116.760 119.296 -2.536 25931 1083 1 6 . 1 1 456 456 VAL C C 456 177.513 177.513 178.017 -0.504 25931 1084 1 6 . 1 1 456 456 VAL CA C 456 66.494 66.494 66.131 0.363 25931 1085 1 6 . 1 1 456 456 VAL CB C 456 30.226 30.226 31.355 -1.129 25931 1086 1 6 . 1 1 456 456 VAL H H 456 8.215 8.215 7.998 0.217 25931 1087 1 6 . 1 1 457 457 LEU N N 457 119.491 119.491 119.750 -0.259 25931 1088 1 6 . 1 1 457 457 LEU C C 457 179.589 179.589 179.191 0.398 25931 1089 1 6 . 1 1 457 457 LEU CA C 457 58.056 58.056 58.109 -0.053 25931 1090 1 6 . 1 1 457 457 LEU CB C 457 40.414 40.414 41.572 -1.158 25931 1091 1 6 . 1 1 457 457 LEU H H 457 8.157 8.157 7.606 0.551 25931 1092 1 6 . 1 1 458 458 LEU N N 458 118.534 118.534 119.059 -0.525 25931 1093 1 6 . 1 1 458 458 LEU C C 458 178.949 178.949 178.949 0.000 25931 1094 1 6 . 1 1 458 458 LEU CA C 458 57.395 57.395 57.877 -0.482 25931 1095 1 6 . 1 1 458 458 LEU CB C 458 40.615 40.615 41.408 -0.793 25931 1096 1 6 . 1 1 458 458 LEU H H 458 8.562 8.562 8.224 0.338 25931 1097 1 6 . 1 1 459 459 ALA N N 459 122.364 122.364 122.475 -0.111 25931 1098 1 6 . 1 1 459 459 ALA C C 459 179.842 179.842 179.742 0.100 25931 1099 1 6 . 1 1 459 459 ALA CA C 459 55.173 55.173 55.225 -0.052 25931 1100 1 6 . 1 1 459 459 ALA CB C 459 17.083 17.083 18.307 -1.224 25931 1101 1 6 . 1 1 459 459 ALA H H 459 8.403 8.403 8.300 0.103 25931 1102 1 6 . 1 1 460 460 LEU N N 460 118.056 118.056 119.425 -1.369 25931 1103 1 6 . 1 1 460 460 LEU C C 460 179.308 179.308 179.407 -0.099 25931 1104 1 6 . 1 1 460 460 LEU CA C 460 57.673 57.673 57.828 -0.155 25931 1105 1 6 . 1 1 460 460 LEU CB C 460 40.414 40.414 41.506 -1.092 25931 1106 1 6 . 1 1 460 460 LEU H H 460 8.530 8.530 7.916 0.614 25931 1107 1 6 . 1 1 461 461 ARG N N 461 119.570 119.570 119.523 0.047 25931 1108 1 6 . 1 1 461 461 ARG C C 461 178.608 178.608 178.725 -0.117 25931 1109 1 6 . 1 1 461 461 ARG CA C 461 57.818 57.818 58.928 -1.110 25931 1110 1 6 . 1 1 461 461 ARG CB C 461 28.607 28.607 29.749 -1.142 25931 1111 1 6 . 1 1 461 461 ARG H H 461 8.051 8.051 7.659 0.392 25931 1112 1 6 . 1 1 462 462 PHE N N 462 118.758 118.758 120.770 -2.012 25931 1113 1 6 . 1 1 462 462 PHE C C 462 177.180 177.180 177.746 -0.566 25931 1114 1 6 . 1 1 462 462 PHE CA C 462 60.701 60.701 61.581 -0.881 25931 1115 1 6 . 1 1 462 462 PHE CB C 462 38.530 38.530 39.104 -0.574 25931 1116 1 6 . 1 1 462 462 PHE H H 462 8.463 8.463 8.181 0.282 25931 1117 1 6 . 1 1 463 463 CYS N N 463 116.550 116.550 117.343 -0.793 25931 1118 1 6 . 1 1 463 463 CYS C C 463 176.092 176.092 177.362 -1.270 25931 1119 1 6 . 1 1 463 463 CYS CA C 463 62.129 62.129 63.540 -1.411 25931 1120 1 6 . 1 1 463 463 CYS CB C 463 26.966 26.966 28.052 -1.086 25931 1121 1 6 . 1 1 463 463 CYS H H 463 8.317 8.317 9.098 -0.781 25931 1122 1 6 . 1 1 464 464 GLY N N 464 107.731 107.731 110.134 -2.403 25931 1123 1 6 . 1 1 464 464 GLY C C 464 174.972 174.972 176.130 -1.158 25931 1124 1 6 . 1 1 464 464 GLY CA C 464 46.074 46.074 47.112 -1.038 25931 1125 1 6 . 1 1 464 464 GLY H H 464 8.079 8.079 8.525 -0.446 25931 1126 1 6 . 1 1 465 465 ILE N N 465 120.035 120.035 120.732 -0.697 25931 1127 1 6 . 1 1 465 465 ILE C C 465 176.563 176.563 177.686 -1.123 25931 1128 1 6 . 1 1 465 465 ILE CA C 465 62.500 62.500 63.380 -0.880 25931 1129 1 6 . 1 1 465 465 ILE CB C 465 37.409 37.409 37.132 0.277 25931 1130 1 6 . 1 1 465 465 ILE H H 465 7.771 7.771 7.738 0.033 25931 1131 1 6 . 1 1 466 466 TYR N N 466 118.754 118.754 118.167 0.587 25931 1132 1 6 . 1 1 466 466 TYR C C 466 176.313 176.313 176.758 -0.445 25931 1133 1 6 . 1 1 466 466 TYR CA C 466 58.506 58.506 59.511 -1.005 25931 1134 1 6 . 1 1 466 466 TYR CB C 466 37.917 37.917 38.604 -0.687 25931 1135 1 6 . 1 1 466 466 TYR H H 466 7.830 7.830 7.683 0.147 25931 1136 1 6 . 1 1 467 467 GLY N N 467 108.001 108.001 104.339 3.662 25931 1137 1 6 . 1 1 467 467 GLY C C 467 174.271 174.271 174.600 -0.329 25931 1138 1 6 . 1 1 467 467 GLY CA C 467 45.624 45.624 45.127 0.497 25931 1139 1 6 . 1 1 467 467 GLY H H 467 7.912 7.912 8.106 -0.194 25931 1140 1 6 . 1 1 468 468 TYR N N 468 119.906 119.906 120.524 -0.618 25931 1141 1 6 . 1 1 468 468 TYR C C 468 175.743 175.743 174.763 0.980 25931 1142 1 6 . 1 1 468 468 TYR CA C 468 58.268 58.268 60.892 -2.624 25931 1143 1 6 . 1 1 468 468 TYR CB C 468 37.613 37.613 37.868 -0.255 25931 1144 1 6 . 1 1 468 468 TYR H H 468 7.891 7.891 8.439 -0.548 25931 1145 1 6 . 1 1 469 469 ARG N N 469 120.994 120.994 121.578 -0.584 25931 1146 1 6 . 1 1 469 469 ARG C C 469 175.945 175.945 175.799 0.146 25931 1147 1 6 . 1 1 469 469 ARG CA C 469 55.536 55.536 55.117 0.419 25931 1148 1 6 . 1 1 469 469 ARG CB C 469 30.035 30.035 30.897 -0.862 25931 1149 1 6 . 1 1 469 469 ARG H H 469 7.868 7.868 8.458 -0.590 25931 1150 1 6 . 1 1 470 470 LEU N N 470 121.404 121.404 124.993 -3.589 25931 1151 1 6 . 1 1 470 470 LEU C C 470 176.689 176.689 177.082 -0.393 25931 1152 1 6 . 1 1 470 470 LEU CA C 470 54.908 54.908 54.565 0.344 25931 1153 1 6 . 1 1 470 470 LEU CB C 470 41.077 41.077 42.171 -1.094 25931 1154 1 6 . 1 1 470 470 LEU H H 470 7.906 7.906 8.542 -0.636 25931 1155 1 6 . 1 1 471 471 ARG N N 471 120.513 120.513 120.733 -0.220 25931 1156 1 6 . 1 1 471 471 ARG C C 471 175.778 175.778 177.403 -1.625 25931 1157 1 6 . 1 1 471 471 ARG CA C 471 55.358 55.358 55.792 -0.434 25931 1158 1 6 . 1 1 471 471 ARG CB C 471 29.982 29.982 30.829 -0.847 25931 1159 1 6 . 1 1 471 471 ARG H H 471 7.902 7.902 7.739 0.163 25931 1160 1 6 . 1 1 472 472 ARG N N 472 122.770 122.770 123.569 -0.799 25931 1161 1 6 . 1 1 472 472 ARG C C 472 175.428 175.428 176.956 -1.528 25931 1162 1 6 . 1 1 472 472 ARG CA C 472 55.596 55.596 58.356 -2.760 25931 1163 1 6 . 1 1 472 472 ARG CB C 472 29.982 29.982 30.728 -0.746 25931 1164 1 6 . 1 1 472 472 ARG H H 472 8.220 8.220 8.783 -0.563 25931 1165 1 7 . 1 1 431 431 LYS N N 431 121.472 121.472 122.921 -1.449 25931 1166 1 7 . 1 1 431 431 LYS C C 431 176.470 176.470 177.739 -1.269 25931 1167 1 7 . 1 1 431 431 LYS CA C 431 56.046 56.046 58.186 -2.140 25931 1168 1 7 . 1 1 431 431 LYS CB C 431 32.213 32.213 32.306 -0.093 25931 1169 1 7 . 1 1 431 431 LYS H H 431 8.503 8.503 8.389 0.114 25931 1170 1 7 . 1 1 432 432 ARG N N 432 122.845 122.845 119.886 2.959 25931 1171 1 7 . 1 1 432 432 ARG C C 432 176.155 176.155 177.447 -1.292 25931 1172 1 7 . 1 1 432 432 ARG CA C 432 55.385 55.385 58.235 -2.850 25931 1173 1 7 . 1 1 432 432 ARG CB C 432 29.615 29.615 29.837 -0.222 25931 1174 1 7 . 1 1 432 432 ARG H H 432 8.403 8.403 8.204 0.199 25931 1175 1 7 . 1 1 433 433 SER N N 433 117.709 117.709 111.924 5.785 25931 1176 1 7 . 1 1 433 433 SER C C 433 174.350 174.350 173.883 0.467 25931 1177 1 7 . 1 1 433 433 SER CA C 433 57.970 57.970 58.313 -0.343 25931 1178 1 7 . 1 1 433 433 SER CB C 433 63.389 63.389 63.091 0.298 25931 1179 1 7 . 1 1 433 433 SER H H 433 8.219 8.219 7.798 0.421 25931 1180 1 7 . 1 1 434 434 TRP N N 434 122.436 122.436 122.131 0.305 25931 1181 1 7 . 1 1 434 434 TRP C C 434 175.682 175.682 175.507 0.175 25931 1182 1 7 . 1 1 434 434 TRP CA C 434 56.945 56.945 57.712 -0.767 25931 1183 1 7 . 1 1 434 434 TRP CB C 434 28.749 28.749 28.696 0.053 25931 1184 1 7 . 1 1 434 434 TRP H H 434 8.143 8.143 6.770 1.373 25931 1185 1 7 . 1 1 435 435 ASP N N 435 119.681 119.681 122.507 -2.826 25931 1186 1 7 . 1 1 435 435 ASP C C 435 175.734 175.734 177.114 -1.380 25931 1187 1 7 . 1 1 435 435 ASP CA C 435 53.097 53.097 53.218 -0.120 25931 1188 1 7 . 1 1 435 435 ASP CB C 435 38.446 38.446 41.683 -3.237 25931 1189 1 7 . 1 1 435 435 ASP H H 435 8.107 8.107 8.421 -0.314 25931 1190 1 7 . 1 1 436 436 THR N N 436 113.878 113.878 120.281 -6.403 25931 1191 1 7 . 1 1 436 436 THR C C 436 174.841 174.841 175.615 -0.774 25931 1192 1 7 . 1 1 436 436 THR CA C 436 62.342 62.342 63.918 -1.576 25931 1193 1 7 . 1 1 436 436 THR CB C 436 68.789 68.789 69.250 -0.461 25931 1194 1 7 . 1 1 436 436 THR H H 436 7.890 7.890 8.590 -0.700 25931 1195 1 7 . 1 1 437 437 GLU N N 437 121.040 121.040 121.364 -0.324 25931 1196 1 7 . 1 1 437 437 GLU C C 437 176.085 176.085 175.972 0.113 25931 1197 1 7 . 1 1 437 437 GLU CA C 437 56.271 56.271 56.128 0.143 25931 1198 1 7 . 1 1 437 437 GLU CB C 437 27.760 27.760 30.517 -2.757 25931 1199 1 7 . 1 1 437 437 GLU H H 437 8.178 8.178 8.131 0.047 25931 1200 1 7 . 1 1 438 438 SER N N 438 115.041 115.041 118.028 -2.987 25931 1201 1 7 . 1 1 438 438 SER C C 438 174.622 174.622 174.875 -0.253 25931 1202 1 7 . 1 1 438 438 SER CA C 438 58.337 58.337 57.980 0.357 25931 1203 1 7 . 1 1 438 438 SER CB C 438 63.257 63.257 64.074 -0.817 25931 1204 1 7 . 1 1 438 438 SER H H 438 8.014 8.014 8.313 -0.299 25931 1205 1 7 . 1 1 439 439 VAL N N 439 119.164 119.164 122.300 -3.136 25931 1206 1 7 . 1 1 439 439 VAL C C 439 175.866 175.866 176.253 -0.387 25931 1207 1 7 . 1 1 439 439 VAL CA C 439 62.223 62.223 64.336 -2.113 25931 1208 1 7 . 1 1 439 439 VAL CB C 439 31.602 31.602 31.752 -0.150 25931 1209 1 7 . 1 1 439 439 VAL H H 439 7.867 7.867 8.424 -0.556 25931 1210 1 7 . 1 1 440 440 LEU N N 440 122.292 122.292 120.886 1.406 25931 1211 1 7 . 1 1 440 440 LEU CA C 440 54.619 54.619 52.671 1.948 25931 1212 1 7 . 1 1 440 440 LEU CB C 440 31.602 31.602 42.436 -10.834 25931 1213 1 7 . 1 1 440 440 LEU H H 440 7.951 7.951 7.655 0.296 25931 1214 1 7 . 1 1 442 442 MET C C 442 178.354 178.354 177.825 0.529 25931 1215 1 7 . 1 1 443 443 TRP N N 443 117.586 117.586 119.929 -2.343 25931 1216 1 7 . 1 1 443 443 TRP CA C 443 59.593 59.593 60.400 -0.807 25931 1217 1 7 . 1 1 443 443 TRP CB C 443 28.461 28.461 27.707 0.754 25931 1218 1 7 . 1 1 443 443 TRP H H 443 8.163 8.163 7.949 0.214 25931 1219 1 7 . 1 1 444 444 VAL C C 444 177.425 177.425 177.146 0.279 25931 1220 1 7 . 1 1 444 444 VAL CA C 444 65.850 65.850 64.828 1.022 25931 1221 1 7 . 1 1 445 445 LEU N N 445 119.396 119.396 120.631 -1.235 25931 1222 1 7 . 1 1 445 445 LEU C C 445 178.275 178.275 178.162 0.113 25931 1223 1 7 . 1 1 445 445 LEU CA C 445 57.792 57.792 57.698 0.094 25931 1224 1 7 . 1 1 445 445 LEU CB C 445 40.192 40.192 41.183 -0.991 25931 1225 1 7 . 1 1 445 445 LEU H H 445 7.598 7.598 7.303 0.295 25931 1226 1 7 . 1 1 446 446 ALA N N 446 119.287 119.287 121.558 -2.271 25931 1227 1 7 . 1 1 446 446 ALA C C 446 178.827 178.827 179.779 -0.952 25931 1228 1 7 . 1 1 446 446 ALA CA C 446 55.134 55.134 55.062 0.072 25931 1229 1 7 . 1 1 446 446 ALA CB C 446 17.032 17.032 18.164 -1.132 25931 1230 1 7 . 1 1 446 446 ALA H H 446 8.360 8.360 8.108 0.252 25931 1231 1 7 . 1 1 447 447 LEU N N 447 117.101 117.101 119.267 -2.166 25931 1232 1 7 . 1 1 447 447 LEU C C 447 178.564 178.564 179.116 -0.552 25931 1233 1 7 . 1 1 447 447 LEU CA C 447 57.818 57.818 57.808 0.010 25931 1234 1 7 . 1 1 447 447 LEU CB C 447 40.615 40.615 41.927 -1.312 25931 1235 1 7 . 1 1 447 447 LEU H H 447 7.906 7.906 7.611 0.295 25931 1236 1 7 . 1 1 448 448 ILE N N 448 118.874 118.874 119.471 -0.597 25931 1237 1 7 . 1 1 448 448 ILE C C 448 177.504 177.504 178.171 -0.667 25931 1238 1 7 . 1 1 448 448 ILE CA C 448 65.667 65.667 65.621 0.046 25931 1239 1 7 . 1 1 448 448 ILE CB C 448 36.492 36.492 37.719 -1.228 25931 1240 1 7 . 1 1 448 448 ILE H H 448 8.206 8.206 7.698 0.508 25931 1241 1 7 . 1 1 449 449 VAL N N 449 118.932 118.932 120.095 -1.163 25931 1242 1 7 . 1 1 449 449 VAL C C 449 179.107 179.107 178.450 0.657 25931 1243 1 7 . 1 1 449 449 VAL CA C 449 66.917 66.917 66.819 0.098 25931 1244 1 7 . 1 1 449 449 VAL CB C 449 30.226 30.226 31.204 -0.978 25931 1245 1 7 . 1 1 449 449 VAL H H 449 8.271 8.271 7.554 0.717 25931 1246 1 7 . 1 1 450 450 ILE N N 450 123.013 123.013 120.154 2.859 25931 1247 1 7 . 1 1 450 450 ILE C C 450 177.092 177.092 178.511 -1.419 25931 1248 1 7 . 1 1 450 450 ILE CA C 450 65.594 65.594 63.476 2.118 25931 1249 1 7 . 1 1 450 450 ILE CB C 450 36.594 36.594 36.308 0.286 25931 1250 1 7 . 1 1 450 450 ILE H H 450 8.603 8.603 7.654 0.949 25931 1251 1 7 . 1 1 451 451 PHE N N 451 119.352 119.352 119.193 0.159 25931 1252 1 7 . 1 1 451 451 PHE C C 451 177.408 177.408 178.293 -0.885 25931 1253 1 7 . 1 1 451 451 PHE CA C 451 61.389 61.389 62.666 -1.276 25931 1254 1 7 . 1 1 451 451 PHE CB C 451 37.970 37.970 38.130 -0.160 25931 1255 1 7 . 1 1 451 451 PHE H H 451 8.630 8.630 7.754 0.876 25931 1256 1 7 . 1 1 452 452 LEU N N 452 118.462 118.462 119.104 -0.642 25931 1257 1 7 . 1 1 452 452 LEU C C 452 177.959 177.959 178.886 -0.927 25931 1258 1 7 . 1 1 452 452 LEU CA C 452 57.606 57.606 57.969 -0.364 25931 1259 1 7 . 1 1 452 452 LEU CB C 452 40.924 40.924 41.402 -0.478 25931 1260 1 7 . 1 1 452 452 LEU H H 452 8.732 8.732 8.073 0.659 25931 1261 1 7 . 1 1 453 453 THR N N 453 116.076 116.076 116.866 -0.790 25931 1262 1 7 . 1 1 453 453 THR C C 453 176.199 176.199 176.662 -0.463 25931 1263 1 7 . 1 1 453 453 THR CA C 453 67.919 67.919 67.625 0.294 25931 1264 1 7 . 1 1 453 453 THR CB C 453 67.006 67.006 68.616 -1.610 25931 1265 1 7 . 1 1 453 453 THR H H 453 8.107 8.107 8.126 -0.019 25931 1266 1 7 . 1 1 454 454 ILE N N 454 120.174 120.174 121.258 -1.084 25931 1267 1 7 . 1 1 454 454 ILE C C 454 176.934 176.934 177.328 -0.394 25931 1268 1 7 . 1 1 454 454 ILE CA C 454 65.145 65.145 65.308 -0.163 25931 1269 1 7 . 1 1 454 454 ILE CB C 454 36.595 36.595 37.640 -1.045 25931 1270 1 7 . 1 1 454 454 ILE H H 454 8.050 8.050 8.045 0.005 25931 1271 1 7 . 1 1 455 455 ALA N N 455 121.197 121.197 122.726 -1.529 25931 1272 1 7 . 1 1 455 455 ALA C C 455 178.897 178.897 179.665 -0.768 25931 1273 1 7 . 1 1 455 455 ALA CA C 455 55.346 55.346 55.442 -0.096 25931 1274 1 7 . 1 1 455 455 ALA CB C 455 17.074 17.074 17.998 -0.924 25931 1275 1 7 . 1 1 455 455 ALA H H 455 8.255 8.255 7.813 0.442 25931 1276 1 7 . 1 1 456 456 VAL N N 456 116.760 116.760 118.954 -2.194 25931 1277 1 7 . 1 1 456 456 VAL C C 456 177.513 177.513 177.938 -0.425 25931 1278 1 7 . 1 1 456 456 VAL CA C 456 66.494 66.494 66.772 -0.278 25931 1279 1 7 . 1 1 456 456 VAL CB C 456 30.226 30.226 31.761 -1.535 25931 1280 1 7 . 1 1 456 456 VAL H H 456 8.215 8.215 7.741 0.474 25931 1281 1 7 . 1 1 457 457 LEU N N 457 119.491 119.491 119.849 -0.358 25931 1282 1 7 . 1 1 457 457 LEU C C 457 179.589 179.589 179.155 0.434 25931 1283 1 7 . 1 1 457 457 LEU CA C 457 58.056 58.056 57.922 0.134 25931 1284 1 7 . 1 1 457 457 LEU CB C 457 40.414 40.414 41.569 -1.155 25931 1285 1 7 . 1 1 457 457 LEU H H 457 8.157 8.157 7.508 0.649 25931 1286 1 7 . 1 1 458 458 LEU N N 458 118.534 118.534 118.989 -0.455 25931 1287 1 7 . 1 1 458 458 LEU C C 458 178.949 178.949 178.883 0.066 25931 1288 1 7 . 1 1 458 458 LEU CA C 458 57.395 57.395 57.841 -0.446 25931 1289 1 7 . 1 1 458 458 LEU CB C 458 40.615 40.615 41.354 -0.739 25931 1290 1 7 . 1 1 458 458 LEU H H 458 8.562 8.562 8.242 0.320 25931 1291 1 7 . 1 1 459 459 ALA N N 459 122.364 122.364 122.410 -0.046 25931 1292 1 7 . 1 1 459 459 ALA C C 459 179.842 179.842 179.819 0.023 25931 1293 1 7 . 1 1 459 459 ALA CA C 459 55.173 55.173 55.223 -0.050 25931 1294 1 7 . 1 1 459 459 ALA CB C 459 17.083 17.083 18.203 -1.120 25931 1295 1 7 . 1 1 459 459 ALA H H 459 8.403 8.403 8.024 0.379 25931 1296 1 7 . 1 1 460 460 LEU N N 460 118.056 118.056 119.577 -1.521 25931 1297 1 7 . 1 1 460 460 LEU C C 460 179.308 179.308 179.285 0.023 25931 1298 1 7 . 1 1 460 460 LEU CA C 460 57.673 57.673 58.257 -0.584 25931 1299 1 7 . 1 1 460 460 LEU CB C 460 40.414 40.414 41.400 -0.986 25931 1300 1 7 . 1 1 460 460 LEU H H 460 8.530 8.530 7.812 0.718 25931 1301 1 7 . 1 1 461 461 ARG N N 461 119.570 119.570 119.562 0.008 25931 1302 1 7 . 1 1 461 461 ARG C C 461 178.608 178.608 178.823 -0.215 25931 1303 1 7 . 1 1 461 461 ARG CA C 461 57.818 57.818 59.018 -1.200 25931 1304 1 7 . 1 1 461 461 ARG CB C 461 28.607 28.607 29.739 -1.133 25931 1305 1 7 . 1 1 461 461 ARG H H 461 8.051 8.051 7.522 0.529 25931 1306 1 7 . 1 1 462 462 PHE N N 462 118.758 118.758 120.055 -1.297 25931 1307 1 7 . 1 1 462 462 PHE C C 462 177.180 177.180 178.336 -1.156 25931 1308 1 7 . 1 1 462 462 PHE CA C 462 60.701 60.701 61.411 -0.710 25931 1309 1 7 . 1 1 462 462 PHE CB C 462 38.530 38.530 39.065 -0.535 25931 1310 1 7 . 1 1 462 462 PHE H H 462 8.463 8.463 7.959 0.504 25931 1311 1 7 . 1 1 463 463 CYS N N 463 116.550 116.550 118.238 -1.688 25931 1312 1 7 . 1 1 463 463 CYS C C 463 176.092 176.092 177.038 -0.946 25931 1313 1 7 . 1 1 463 463 CYS CA C 463 62.129 62.129 64.062 -1.933 25931 1314 1 7 . 1 1 463 463 CYS CB C 463 26.966 26.966 27.661 -0.695 25931 1315 1 7 . 1 1 463 463 CYS H H 463 8.317 8.317 8.375 -0.058 25931 1316 1 7 . 1 1 464 464 GLY N N 464 107.731 107.731 109.231 -1.500 25931 1317 1 7 . 1 1 464 464 GLY C C 464 174.972 174.972 175.740 -0.768 25931 1318 1 7 . 1 1 464 464 GLY CA C 464 46.074 46.074 47.032 -0.958 25931 1319 1 7 . 1 1 464 464 GLY H H 464 8.079 8.079 8.560 -0.481 25931 1320 1 7 . 1 1 465 465 ILE N N 465 120.035 120.035 120.475 -0.440 25931 1321 1 7 . 1 1 465 465 ILE C C 465 176.563 176.563 177.351 -0.788 25931 1322 1 7 . 1 1 465 465 ILE CA C 465 62.500 62.500 63.164 -0.664 25931 1323 1 7 . 1 1 465 465 ILE CB C 465 37.409 37.409 36.893 0.516 25931 1324 1 7 . 1 1 465 465 ILE H H 465 7.771 7.771 7.451 0.320 25931 1325 1 7 . 1 1 466 466 TYR N N 466 118.754 118.754 118.195 0.559 25931 1326 1 7 . 1 1 466 466 TYR C C 466 176.313 176.313 176.829 -0.516 25931 1327 1 7 . 1 1 466 466 TYR CA C 466 58.506 58.506 59.587 -1.081 25931 1328 1 7 . 1 1 466 466 TYR CB C 466 37.917 37.917 38.628 -0.711 25931 1329 1 7 . 1 1 466 466 TYR H H 466 7.830 7.830 7.683 0.147 25931 1330 1 7 . 1 1 467 467 GLY N N 467 108.001 108.001 103.836 4.165 25931 1331 1 7 . 1 1 467 467 GLY C C 467 174.271 174.271 174.703 -0.432 25931 1332 1 7 . 1 1 467 467 GLY CA C 467 45.624 45.624 45.021 0.603 25931 1333 1 7 . 1 1 467 467 GLY H H 467 7.912 7.912 7.880 0.032 25931 1334 1 7 . 1 1 468 468 TYR N N 468 119.906 119.906 121.105 -1.199 25931 1335 1 7 . 1 1 468 468 TYR C C 468 175.743 175.743 174.752 0.991 25931 1336 1 7 . 1 1 468 468 TYR CA C 468 58.268 58.268 60.903 -2.635 25931 1337 1 7 . 1 1 468 468 TYR CB C 468 37.613 37.613 37.960 -0.347 25931 1338 1 7 . 1 1 468 468 TYR H H 468 7.891 7.891 8.309 -0.418 25931 1339 1 7 . 1 1 469 469 ARG N N 469 120.994 120.994 121.146 -0.152 25931 1340 1 7 . 1 1 469 469 ARG C C 469 175.945 175.945 174.842 1.103 25931 1341 1 7 . 1 1 469 469 ARG CA C 469 55.536 55.536 55.189 0.347 25931 1342 1 7 . 1 1 469 469 ARG CB C 469 30.035 30.035 32.016 -1.981 25931 1343 1 7 . 1 1 469 469 ARG H H 469 7.868 7.868 8.382 -0.514 25931 1344 1 7 . 1 1 470 470 LEU N N 470 121.404 121.404 126.104 -4.700 25931 1345 1 7 . 1 1 470 470 LEU C C 470 176.689 176.689 177.285 -0.596 25931 1346 1 7 . 1 1 470 470 LEU CA C 470 54.908 54.908 54.182 0.726 25931 1347 1 7 . 1 1 470 470 LEU CB C 470 41.077 41.077 43.113 -2.036 25931 1348 1 7 . 1 1 470 470 LEU H H 470 7.906 7.906 8.562 -0.656 25931 1349 1 7 . 1 1 471 471 ARG N N 471 120.513 120.513 122.384 -1.871 25931 1350 1 7 . 1 1 471 471 ARG C C 471 175.778 175.778 176.848 -1.070 25931 1351 1 7 . 1 1 471 471 ARG CA C 471 55.358 55.358 57.644 -2.286 25931 1352 1 7 . 1 1 471 471 ARG CB C 471 29.982 29.982 30.657 -0.675 25931 1353 1 7 . 1 1 471 471 ARG H H 471 7.902 7.902 8.560 -0.658 25931 1354 1 7 . 1 1 472 472 ARG N N 472 122.770 122.770 120.780 1.990 25931 1355 1 7 . 1 1 472 472 ARG C C 472 175.428 175.428 175.731 -0.303 25931 1356 1 7 . 1 1 472 472 ARG CA C 472 55.596 55.596 55.548 0.048 25931 1357 1 7 . 1 1 472 472 ARG CB C 472 29.982 29.982 31.248 -1.266 25931 1358 1 7 . 1 1 472 472 ARG H H 472 8.220 8.220 8.085 0.135 25931 1359 1 8 . 1 1 431 431 LYS N N 431 121.472 121.472 121.712 -0.240 25931 1360 1 8 . 1 1 431 431 LYS C C 431 176.470 176.470 176.149 0.321 25931 1361 1 8 . 1 1 431 431 LYS CA C 431 56.046 56.046 55.219 0.827 25931 1362 1 8 . 1 1 431 431 LYS CB C 431 32.213 32.213 33.418 -1.205 25931 1363 1 8 . 1 1 431 431 LYS H H 431 8.503 8.503 7.973 0.530 25931 1364 1 8 . 1 1 432 432 ARG N N 432 122.845 122.845 122.383 0.462 25931 1365 1 8 . 1 1 432 432 ARG C C 432 176.155 176.155 176.017 0.138 25931 1366 1 8 . 1 1 432 432 ARG CA C 432 55.385 55.385 56.010 -0.625 25931 1367 1 8 . 1 1 432 432 ARG CB C 432 29.615 29.615 30.707 -1.093 25931 1368 1 8 . 1 1 432 432 ARG H H 432 8.403 8.403 8.341 0.062 25931 1369 1 8 . 1 1 433 433 SER N N 433 117.709 117.709 116.943 0.766 25931 1370 1 8 . 1 1 433 433 SER C C 433 174.350 174.350 173.564 0.786 25931 1371 1 8 . 1 1 433 433 SER CA C 433 57.970 57.970 57.882 0.088 25931 1372 1 8 . 1 1 433 433 SER CB C 433 63.389 63.389 63.909 -0.520 25931 1373 1 8 . 1 1 433 433 SER H H 433 8.219 8.219 8.272 -0.053 25931 1374 1 8 . 1 1 434 434 TRP N N 434 122.436 122.436 121.152 1.284 25931 1375 1 8 . 1 1 434 434 TRP C C 434 175.682 175.682 175.878 -0.196 25931 1376 1 8 . 1 1 434 434 TRP CA C 434 56.945 56.945 56.727 0.218 25931 1377 1 8 . 1 1 434 434 TRP CB C 434 28.749 28.749 30.687 -1.938 25931 1378 1 8 . 1 1 434 434 TRP H H 434 8.143 8.143 8.180 -0.037 25931 1379 1 8 . 1 1 435 435 ASP N N 435 119.681 119.681 123.556 -3.875 25931 1380 1 8 . 1 1 435 435 ASP C C 435 175.734 175.734 177.053 -1.319 25931 1381 1 8 . 1 1 435 435 ASP CA C 435 53.097 53.097 53.559 -0.462 25931 1382 1 8 . 1 1 435 435 ASP CB C 435 38.446 38.446 41.937 -3.491 25931 1383 1 8 . 1 1 435 435 ASP H H 435 8.107 8.107 8.676 -0.569 25931 1384 1 8 . 1 1 436 436 THR N N 436 113.878 113.878 116.374 -2.496 25931 1385 1 8 . 1 1 436 436 THR C C 436 174.841 174.841 175.360 -0.519 25931 1386 1 8 . 1 1 436 436 THR CA C 436 62.342 62.342 63.197 -0.855 25931 1387 1 8 . 1 1 436 436 THR CB C 436 68.789 68.789 69.319 -0.530 25931 1388 1 8 . 1 1 436 436 THR H H 436 7.890 7.890 8.457 -0.567 25931 1389 1 8 . 1 1 437 437 GLU N N 437 121.040 121.040 122.128 -1.088 25931 1390 1 8 . 1 1 437 437 GLU C C 437 176.085 176.085 174.811 1.274 25931 1391 1 8 . 1 1 437 437 GLU CA C 437 56.271 56.271 55.176 1.095 25931 1392 1 8 . 1 1 437 437 GLU CB C 437 27.760 27.760 30.749 -2.989 25931 1393 1 8 . 1 1 437 437 GLU H H 437 8.178 8.178 8.162 0.016 25931 1394 1 8 . 1 1 438 438 SER N N 438 115.041 115.041 120.884 -5.843 25931 1395 1 8 . 1 1 438 438 SER C C 438 174.622 174.622 176.048 -1.426 25931 1396 1 8 . 1 1 438 438 SER CA C 438 58.337 58.337 57.976 0.361 25931 1397 1 8 . 1 1 438 438 SER CB C 438 63.257 63.257 64.184 -0.927 25931 1398 1 8 . 1 1 438 438 SER H H 438 8.014 8.014 8.027 -0.013 25931 1399 1 8 . 1 1 439 439 VAL N N 439 119.164 119.164 122.040 -2.876 25931 1400 1 8 . 1 1 439 439 VAL C C 439 175.866 175.866 176.139 -0.273 25931 1401 1 8 . 1 1 439 439 VAL CA C 439 62.223 62.223 64.518 -2.295 25931 1402 1 8 . 1 1 439 439 VAL CB C 439 31.602 31.602 31.884 -0.283 25931 1403 1 8 . 1 1 439 439 VAL H H 439 7.867 7.867 8.339 -0.472 25931 1404 1 8 . 1 1 440 440 LEU N N 440 122.292 122.292 122.245 0.047 25931 1405 1 8 . 1 1 440 440 LEU CA C 440 54.619 54.619 54.463 0.156 25931 1406 1 8 . 1 1 440 440 LEU CB C 440 31.602 31.602 41.593 -9.991 25931 1407 1 8 . 1 1 440 440 LEU H H 440 7.951 7.951 7.905 0.046 25931 1408 1 8 . 1 1 442 442 MET C C 442 178.354 178.354 178.046 0.308 25931 1409 1 8 . 1 1 443 443 TRP N N 443 117.586 117.586 118.425 -0.839 25931 1410 1 8 . 1 1 443 443 TRP CA C 443 59.593 59.593 59.551 0.042 25931 1411 1 8 . 1 1 443 443 TRP CB C 443 28.461 28.461 28.149 0.312 25931 1412 1 8 . 1 1 443 443 TRP H H 443 8.163 8.163 7.840 0.323 25931 1413 1 8 . 1 1 444 444 VAL C C 444 177.425 177.425 178.156 -0.731 25931 1414 1 8 . 1 1 444 444 VAL CA C 444 65.850 65.850 66.180 -0.330 25931 1415 1 8 . 1 1 445 445 LEU N N 445 119.396 119.396 119.620 -0.224 25931 1416 1 8 . 1 1 445 445 LEU C C 445 178.275 178.275 178.825 -0.550 25931 1417 1 8 . 1 1 445 445 LEU CA C 445 57.792 57.792 57.900 -0.108 25931 1418 1 8 . 1 1 445 445 LEU CB C 445 40.192 40.192 41.203 -1.011 25931 1419 1 8 . 1 1 445 445 LEU H H 445 7.598 7.598 7.550 0.048 25931 1420 1 8 . 1 1 446 446 ALA N N 446 119.287 119.287 122.126 -2.839 25931 1421 1 8 . 1 1 446 446 ALA C C 446 178.827 178.827 179.677 -0.850 25931 1422 1 8 . 1 1 446 446 ALA CA C 446 55.134 55.134 55.105 0.029 25931 1423 1 8 . 1 1 446 446 ALA CB C 446 17.032 17.032 18.271 -1.239 25931 1424 1 8 . 1 1 446 446 ALA H H 446 8.360 8.360 7.718 0.642 25931 1425 1 8 . 1 1 447 447 LEU N N 447 117.101 117.101 119.711 -2.610 25931 1426 1 8 . 1 1 447 447 LEU C C 447 178.564 178.564 178.961 -0.397 25931 1427 1 8 . 1 1 447 447 LEU CA C 447 57.818 57.818 58.275 -0.457 25931 1428 1 8 . 1 1 447 447 LEU CB C 447 40.615 40.615 41.926 -1.311 25931 1429 1 8 . 1 1 447 447 LEU H H 447 7.906 7.906 7.769 0.137 25931 1430 1 8 . 1 1 448 448 ILE N N 448 118.874 118.874 119.584 -0.710 25931 1431 1 8 . 1 1 448 448 ILE C C 448 177.504 177.504 178.024 -0.520 25931 1432 1 8 . 1 1 448 448 ILE CA C 448 65.667 65.667 65.657 0.010 25931 1433 1 8 . 1 1 448 448 ILE CB C 448 36.492 36.492 37.635 -1.143 25931 1434 1 8 . 1 1 448 448 ILE H H 448 8.206 8.206 7.499 0.707 25931 1435 1 8 . 1 1 449 449 VAL N N 449 118.932 118.932 120.051 -1.119 25931 1436 1 8 . 1 1 449 449 VAL C C 449 179.107 179.107 178.130 0.977 25931 1437 1 8 . 1 1 449 449 VAL CA C 449 66.917 66.917 66.749 0.168 25931 1438 1 8 . 1 1 449 449 VAL CB C 449 30.226 30.226 31.058 -0.832 25931 1439 1 8 . 1 1 449 449 VAL H H 449 8.271 8.271 7.618 0.653 25931 1440 1 8 . 1 1 450 450 ILE N N 450 123.013 123.013 120.301 2.712 25931 1441 1 8 . 1 1 450 450 ILE C C 450 177.092 177.092 178.122 -1.030 25931 1442 1 8 . 1 1 450 450 ILE CA C 450 65.594 65.594 64.008 1.586 25931 1443 1 8 . 1 1 450 450 ILE CB C 450 36.594 36.594 36.547 0.047 25931 1444 1 8 . 1 1 450 450 ILE H H 450 8.603 8.603 7.517 1.086 25931 1445 1 8 . 1 1 451 451 PHE N N 451 119.352 119.352 119.341 0.011 25931 1446 1 8 . 1 1 451 451 PHE C C 451 177.408 177.408 178.325 -0.917 25931 1447 1 8 . 1 1 451 451 PHE CA C 451 61.389 61.389 62.694 -1.305 25931 1448 1 8 . 1 1 451 451 PHE CB C 451 37.970 37.970 38.104 -0.134 25931 1449 1 8 . 1 1 451 451 PHE H H 451 8.630 8.630 7.848 0.782 25931 1450 1 8 . 1 1 452 452 LEU N N 452 118.462 118.462 119.295 -0.833 25931 1451 1 8 . 1 1 452 452 LEU C C 452 177.959 177.959 179.190 -1.231 25931 1452 1 8 . 1 1 452 452 LEU CA C 452 57.606 57.606 58.242 -0.636 25931 1453 1 8 . 1 1 452 452 LEU CB C 452 40.924 40.924 41.531 -0.607 25931 1454 1 8 . 1 1 452 452 LEU H H 452 8.732 8.732 8.381 0.351 25931 1455 1 8 . 1 1 453 453 THR N N 453 116.076 116.076 116.922 -0.846 25931 1456 1 8 . 1 1 453 453 THR C C 453 176.199 176.199 176.930 -0.731 25931 1457 1 8 . 1 1 453 453 THR CA C 453 67.919 67.919 67.458 0.461 25931 1458 1 8 . 1 1 453 453 THR CB C 453 67.006 67.006 68.708 -1.702 25931 1459 1 8 . 1 1 453 453 THR H H 453 8.107 8.107 8.229 -0.122 25931 1460 1 8 . 1 1 454 454 ILE N N 454 120.174 120.174 121.322 -1.148 25931 1461 1 8 . 1 1 454 454 ILE C C 454 176.934 176.934 177.523 -0.589 25931 1462 1 8 . 1 1 454 454 ILE CA C 454 65.145 65.145 65.258 -0.113 25931 1463 1 8 . 1 1 454 454 ILE CB C 454 36.595 36.595 37.595 -1.000 25931 1464 1 8 . 1 1 454 454 ILE H H 454 8.050 8.050 8.317 -0.267 25931 1465 1 8 . 1 1 455 455 ALA N N 455 121.197 121.197 122.832 -1.635 25931 1466 1 8 . 1 1 455 455 ALA C C 455 178.897 178.897 179.651 -0.754 25931 1467 1 8 . 1 1 455 455 ALA CA C 455 55.346 55.346 55.483 -0.137 25931 1468 1 8 . 1 1 455 455 ALA CB C 455 17.074 17.074 18.152 -1.078 25931 1469 1 8 . 1 1 455 455 ALA H H 455 8.255 8.255 7.973 0.282 25931 1470 1 8 . 1 1 456 456 VAL N N 456 116.760 116.760 119.341 -2.581 25931 1471 1 8 . 1 1 456 456 VAL C C 456 177.513 177.513 177.928 -0.415 25931 1472 1 8 . 1 1 456 456 VAL CA C 456 66.494 66.494 66.421 0.073 25931 1473 1 8 . 1 1 456 456 VAL CB C 456 30.226 30.226 31.471 -1.245 25931 1474 1 8 . 1 1 456 456 VAL H H 456 8.215 8.215 7.992 0.223 25931 1475 1 8 . 1 1 457 457 LEU N N 457 119.491 119.491 119.678 -0.187 25931 1476 1 8 . 1 1 457 457 LEU C C 457 179.589 179.589 179.173 0.416 25931 1477 1 8 . 1 1 457 457 LEU CA C 457 58.056 58.056 58.082 -0.026 25931 1478 1 8 . 1 1 457 457 LEU CB C 457 40.414 40.414 41.565 -1.151 25931 1479 1 8 . 1 1 457 457 LEU H H 457 8.157 8.157 7.589 0.568 25931 1480 1 8 . 1 1 458 458 LEU N N 458 118.534 118.534 119.053 -0.519 25931 1481 1 8 . 1 1 458 458 LEU C C 458 178.949 178.949 178.921 0.028 25931 1482 1 8 . 1 1 458 458 LEU CA C 458 57.395 57.395 57.856 -0.461 25931 1483 1 8 . 1 1 458 458 LEU CB C 458 40.615 40.615 41.360 -0.745 25931 1484 1 8 . 1 1 458 458 LEU H H 458 8.562 8.562 8.071 0.491 25931 1485 1 8 . 1 1 459 459 ALA N N 459 122.364 122.364 122.854 -0.490 25931 1486 1 8 . 1 1 459 459 ALA C C 459 179.842 179.842 179.853 -0.011 25931 1487 1 8 . 1 1 459 459 ALA CA C 459 55.173 55.173 55.367 -0.194 25931 1488 1 8 . 1 1 459 459 ALA CB C 459 17.083 17.083 18.169 -1.086 25931 1489 1 8 . 1 1 459 459 ALA H H 459 8.403 8.403 8.263 0.140 25931 1490 1 8 . 1 1 460 460 LEU N N 460 118.056 118.056 119.646 -1.590 25931 1491 1 8 . 1 1 460 460 LEU C C 460 179.308 179.308 179.484 -0.176 25931 1492 1 8 . 1 1 460 460 LEU CA C 460 57.673 57.673 57.941 -0.269 25931 1493 1 8 . 1 1 460 460 LEU CB C 460 40.414 40.414 40.789 -0.376 25931 1494 1 8 . 1 1 460 460 LEU H H 460 8.530 8.530 7.859 0.671 25931 1495 1 8 . 1 1 461 461 ARG N N 461 119.570 119.570 119.438 0.132 25931 1496 1 8 . 1 1 461 461 ARG C C 461 178.608 178.608 178.543 0.065 25931 1497 1 8 . 1 1 461 461 ARG CA C 461 57.818 57.818 59.079 -1.261 25931 1498 1 8 . 1 1 461 461 ARG CB C 461 28.607 28.607 29.986 -1.379 25931 1499 1 8 . 1 1 461 461 ARG H H 461 8.051 8.051 7.701 0.350 25931 1500 1 8 . 1 1 462 462 PHE N N 462 118.758 118.758 121.242 -2.484 25931 1501 1 8 . 1 1 462 462 PHE C C 462 177.180 177.180 177.711 -0.531 25931 1502 1 8 . 1 1 462 462 PHE CA C 462 60.701 60.701 61.330 -0.629 25931 1503 1 8 . 1 1 462 462 PHE CB C 462 38.530 38.530 39.322 -0.792 25931 1504 1 8 . 1 1 462 462 PHE H H 462 8.463 8.463 8.556 -0.093 25931 1505 1 8 . 1 1 463 463 CYS N N 463 116.550 116.550 116.837 -0.287 25931 1506 1 8 . 1 1 463 463 CYS C C 463 176.092 176.092 177.341 -1.249 25931 1507 1 8 . 1 1 463 463 CYS CA C 463 62.129 62.129 60.767 1.362 25931 1508 1 8 . 1 1 463 463 CYS CB C 463 26.966 26.966 27.815 -0.849 25931 1509 1 8 . 1 1 463 463 CYS H H 463 8.317 8.317 9.023 -0.706 25931 1510 1 8 . 1 1 464 464 GLY N N 464 107.731 107.731 110.781 -3.050 25931 1511 1 8 . 1 1 464 464 GLY C C 464 174.972 174.972 175.935 -0.963 25931 1512 1 8 . 1 1 464 464 GLY CA C 464 46.074 46.074 47.110 -1.036 25931 1513 1 8 . 1 1 464 464 GLY H H 464 8.079 8.079 8.282 -0.203 25931 1514 1 8 . 1 1 465 465 ILE N N 465 120.035 120.035 121.092 -1.057 25931 1515 1 8 . 1 1 465 465 ILE C C 465 176.563 176.563 177.786 -1.223 25931 1516 1 8 . 1 1 465 465 ILE CA C 465 62.500 62.500 64.018 -1.518 25931 1517 1 8 . 1 1 465 465 ILE CB C 465 37.409 37.409 38.029 -0.620 25931 1518 1 8 . 1 1 465 465 ILE H H 465 7.771 7.771 7.396 0.375 25931 1519 1 8 . 1 1 466 466 TYR N N 466 118.754 118.754 117.091 1.663 25931 1520 1 8 . 1 1 466 466 TYR C C 466 176.313 176.313 176.743 -0.430 25931 1521 1 8 . 1 1 466 466 TYR CA C 466 58.506 58.506 59.364 -0.858 25931 1522 1 8 . 1 1 466 466 TYR CB C 466 37.917 37.917 38.817 -0.900 25931 1523 1 8 . 1 1 466 466 TYR H H 466 7.830 7.830 7.549 0.281 25931 1524 1 8 . 1 1 467 467 GLY N N 467 108.001 108.001 106.297 1.704 25931 1525 1 8 . 1 1 467 467 GLY C C 467 174.271 174.271 174.862 -0.591 25931 1526 1 8 . 1 1 467 467 GLY CA C 467 45.624 45.624 45.368 0.256 25931 1527 1 8 . 1 1 467 467 GLY H H 467 7.912 7.912 7.890 0.022 25931 1528 1 8 . 1 1 468 468 TYR N N 468 119.906 119.906 121.563 -1.657 25931 1529 1 8 . 1 1 468 468 TYR C C 468 175.743 175.743 176.594 -0.851 25931 1530 1 8 . 1 1 468 468 TYR CA C 468 58.268 58.268 62.431 -4.163 25931 1531 1 8 . 1 1 468 468 TYR CB C 468 37.613 37.613 38.838 -1.225 25931 1532 1 8 . 1 1 468 468 TYR H H 468 7.891 7.891 8.330 -0.439 25931 1533 1 8 . 1 1 469 469 ARG N N 469 120.994 120.994 117.921 3.073 25931 1534 1 8 . 1 1 469 469 ARG C C 469 175.945 175.945 178.294 -2.349 25931 1535 1 8 . 1 1 469 469 ARG CA C 469 55.536 55.536 59.211 -3.675 25931 1536 1 8 . 1 1 469 469 ARG CB C 469 30.035 30.035 29.526 0.509 25931 1537 1 8 . 1 1 469 469 ARG H H 469 7.868 7.868 8.510 -0.642 25931 1538 1 8 . 1 1 470 470 LEU N N 470 121.404 121.404 119.776 1.628 25931 1539 1 8 . 1 1 470 470 LEU C C 470 176.689 176.689 178.179 -1.490 25931 1540 1 8 . 1 1 470 470 LEU CA C 470 54.908 54.908 57.711 -2.803 25931 1541 1 8 . 1 1 470 470 LEU CB C 470 41.077 41.077 41.673 -0.596 25931 1542 1 8 . 1 1 470 470 LEU H H 470 7.906 7.906 7.744 0.162 25931 1543 1 8 . 1 1 471 471 ARG N N 471 120.513 120.513 119.076 1.437 25931 1544 1 8 . 1 1 471 471 ARG C C 471 175.778 175.778 178.142 -2.364 25931 1545 1 8 . 1 1 471 471 ARG CA C 471 55.358 55.358 58.347 -2.989 25931 1546 1 8 . 1 1 471 471 ARG CB C 471 29.982 29.982 30.228 -0.246 25931 1547 1 8 . 1 1 471 471 ARG H H 471 7.902 7.902 8.204 -0.302 25931 1548 1 8 . 1 1 472 472 ARG N N 472 122.770 122.770 118.453 4.317 25931 1549 1 8 . 1 1 472 472 ARG C C 472 175.428 175.428 176.880 -1.452 25931 1550 1 8 . 1 1 472 472 ARG CA C 472 55.596 55.596 58.093 -2.497 25931 1551 1 8 . 1 1 472 472 ARG CB C 472 29.982 29.982 30.591 -0.609 25931 1552 1 8 . 1 1 472 472 ARG H H 472 8.220 8.220 7.589 0.631 25931 1553 1 9 . 1 1 431 431 LYS N N 431 121.472 121.472 121.136 0.336 25931 1554 1 9 . 1 1 431 431 LYS C C 431 176.470 176.470 178.275 -1.805 25931 1555 1 9 . 1 1 431 431 LYS CA C 431 56.046 56.046 58.410 -2.364 25931 1556 1 9 . 1 1 431 431 LYS CB C 431 32.213 32.213 32.650 -0.437 25931 1557 1 9 . 1 1 431 431 LYS H H 431 8.503 8.503 8.540 -0.037 25931 1558 1 9 . 1 1 432 432 ARG N N 432 122.845 122.845 117.794 5.051 25931 1559 1 9 . 1 1 432 432 ARG C C 432 176.155 176.155 177.527 -1.372 25931 1560 1 9 . 1 1 432 432 ARG CA C 432 55.385 55.385 59.112 -3.727 25931 1561 1 9 . 1 1 432 432 ARG CB C 432 29.615 29.615 29.998 -0.383 25931 1562 1 9 . 1 1 432 432 ARG H H 432 8.403 8.403 8.434 -0.031 25931 1563 1 9 . 1 1 433 433 SER N N 433 117.709 117.709 113.621 4.088 25931 1564 1 9 . 1 1 433 433 SER C C 433 174.350 174.350 174.901 -0.551 25931 1565 1 9 . 1 1 433 433 SER CA C 433 57.970 57.970 61.300 -3.330 25931 1566 1 9 . 1 1 433 433 SER CB C 433 63.389 63.389 62.772 0.617 25931 1567 1 9 . 1 1 433 433 SER H H 433 8.219 8.219 8.007 0.212 25931 1568 1 9 . 1 1 434 434 TRP N N 434 122.436 122.436 121.545 0.891 25931 1569 1 9 . 1 1 434 434 TRP C C 434 175.682 175.682 175.986 -0.304 25931 1570 1 9 . 1 1 434 434 TRP CA C 434 56.945 56.945 57.968 -1.024 25931 1571 1 9 . 1 1 434 434 TRP CB C 434 28.749 28.749 30.193 -1.444 25931 1572 1 9 . 1 1 434 434 TRP H H 434 8.143 8.143 7.689 0.454 25931 1573 1 9 . 1 1 435 435 ASP N N 435 119.681 119.681 119.251 0.430 25931 1574 1 9 . 1 1 435 435 ASP C C 435 175.734 175.734 175.461 0.273 25931 1575 1 9 . 1 1 435 435 ASP CA C 435 53.097 53.097 53.578 -0.481 25931 1576 1 9 . 1 1 435 435 ASP CB C 435 38.446 38.446 41.119 -2.673 25931 1577 1 9 . 1 1 435 435 ASP H H 435 8.107 8.107 7.746 0.361 25931 1578 1 9 . 1 1 436 436 THR N N 436 113.878 113.878 120.500 -6.622 25931 1579 1 9 . 1 1 436 436 THR C C 436 174.841 174.841 173.836 1.005 25931 1580 1 9 . 1 1 436 436 THR CA C 436 62.342 62.342 61.931 0.411 25931 1581 1 9 . 1 1 436 436 THR CB C 436 68.789 68.789 70.211 -1.422 25931 1582 1 9 . 1 1 436 436 THR H H 436 7.890 7.890 8.154 -0.264 25931 1583 1 9 . 1 1 437 437 GLU N N 437 121.040 121.040 125.959 -4.919 25931 1584 1 9 . 1 1 437 437 GLU C C 437 176.085 176.085 176.130 -0.045 25931 1585 1 9 . 1 1 437 437 GLU CA C 437 56.271 56.271 57.918 -1.647 25931 1586 1 9 . 1 1 437 437 GLU CB C 437 27.760 27.760 29.771 -2.011 25931 1587 1 9 . 1 1 437 437 GLU H H 437 8.178 8.178 8.726 -0.548 25931 1588 1 9 . 1 1 438 438 SER N N 438 115.041 115.041 116.883 -1.842 25931 1589 1 9 . 1 1 438 438 SER C C 438 174.622 174.622 176.097 -1.475 25931 1590 1 9 . 1 1 438 438 SER CA C 438 58.337 58.337 60.977 -2.640 25931 1591 1 9 . 1 1 438 438 SER CB C 438 63.257 63.257 63.311 -0.054 25931 1592 1 9 . 1 1 438 438 SER H H 438 8.014 8.014 8.443 -0.429 25931 1593 1 9 . 1 1 439 439 VAL N N 439 119.164 119.164 120.876 -1.712 25931 1594 1 9 . 1 1 439 439 VAL C C 439 175.866 175.866 175.617 0.249 25931 1595 1 9 . 1 1 439 439 VAL CA C 439 62.223 62.223 64.522 -2.299 25931 1596 1 9 . 1 1 439 439 VAL CB C 439 31.602 31.602 32.194 -0.592 25931 1597 1 9 . 1 1 439 439 VAL H H 439 7.867 7.867 7.555 0.312 25931 1598 1 9 . 1 1 440 440 LEU N N 440 122.292 122.292 118.975 3.317 25931 1599 1 9 . 1 1 440 440 LEU CA C 440 54.619 54.619 52.196 2.423 25931 1600 1 9 . 1 1 440 440 LEU CB C 440 31.602 31.602 42.743 -11.141 25931 1601 1 9 . 1 1 440 440 LEU H H 440 7.951 7.951 7.607 0.344 25931 1602 1 9 . 1 1 442 442 MET C C 442 178.354 178.354 178.345 0.009 25931 1603 1 9 . 1 1 443 443 TRP N N 443 117.586 117.586 117.364 0.222 25931 1604 1 9 . 1 1 443 443 TRP CA C 443 59.593 59.593 59.334 0.259 25931 1605 1 9 . 1 1 443 443 TRP CB C 443 28.461 28.461 27.929 0.532 25931 1606 1 9 . 1 1 443 443 TRP H H 443 8.163 8.163 8.131 0.032 25931 1607 1 9 . 1 1 444 444 VAL C C 444 177.425 177.425 177.973 -0.548 25931 1608 1 9 . 1 1 444 444 VAL CA C 444 65.850 65.850 65.623 0.227 25931 1609 1 9 . 1 1 445 445 LEU N N 445 119.396 119.396 119.184 0.212 25931 1610 1 9 . 1 1 445 445 LEU C C 445 178.275 178.275 178.611 -0.336 25931 1611 1 9 . 1 1 445 445 LEU CA C 445 57.792 57.792 57.701 0.091 25931 1612 1 9 . 1 1 445 445 LEU CB C 445 40.192 40.192 41.332 -1.140 25931 1613 1 9 . 1 1 445 445 LEU H H 445 7.598 7.598 7.169 0.429 25931 1614 1 9 . 1 1 446 446 ALA N N 446 119.287 119.287 122.186 -2.899 25931 1615 1 9 . 1 1 446 446 ALA C C 446 178.827 178.827 179.877 -1.050 25931 1616 1 9 . 1 1 446 446 ALA CA C 446 55.134 55.134 55.138 -0.004 25931 1617 1 9 . 1 1 446 446 ALA CB C 446 17.032 17.032 18.263 -1.231 25931 1618 1 9 . 1 1 446 446 ALA H H 446 8.360 8.360 7.609 0.751 25931 1619 1 9 . 1 1 447 447 LEU N N 447 117.101 117.101 119.307 -2.206 25931 1620 1 9 . 1 1 447 447 LEU C C 447 178.564 178.564 179.223 -0.659 25931 1621 1 9 . 1 1 447 447 LEU CA C 447 57.818 57.818 58.121 -0.303 25931 1622 1 9 . 1 1 447 447 LEU CB C 447 40.615 40.615 41.416 -0.801 25931 1623 1 9 . 1 1 447 447 LEU H H 447 7.906 7.906 7.851 0.055 25931 1624 1 9 . 1 1 448 448 ILE N N 448 118.874 118.874 119.584 -0.710 25931 1625 1 9 . 1 1 448 448 ILE C C 448 177.504 177.504 178.305 -0.801 25931 1626 1 9 . 1 1 448 448 ILE CA C 448 65.667 65.667 65.975 -0.308 25931 1627 1 9 . 1 1 448 448 ILE CB C 448 36.492 36.492 37.914 -1.422 25931 1628 1 9 . 1 1 448 448 ILE H H 448 8.206 8.206 7.710 0.496 25931 1629 1 9 . 1 1 449 449 VAL N N 449 118.932 118.932 120.033 -1.101 25931 1630 1 9 . 1 1 449 449 VAL C C 449 179.107 179.107 177.935 1.172 25931 1631 1 9 . 1 1 449 449 VAL CA C 449 66.917 66.917 66.992 -0.075 25931 1632 1 9 . 1 1 449 449 VAL CB C 449 30.226 30.226 31.760 -1.534 25931 1633 1 9 . 1 1 449 449 VAL H H 449 8.271 8.271 7.536 0.735 25931 1634 1 9 . 1 1 450 450 ILE N N 450 123.013 123.013 120.209 2.804 25931 1635 1 9 . 1 1 450 450 ILE C C 450 177.092 177.092 178.110 -1.018 25931 1636 1 9 . 1 1 450 450 ILE CA C 450 65.594 65.594 65.144 0.450 25931 1637 1 9 . 1 1 450 450 ILE CB C 450 36.594 36.594 37.764 -1.171 25931 1638 1 9 . 1 1 450 450 ILE H H 450 8.603 8.603 7.500 1.103 25931 1639 1 9 . 1 1 451 451 PHE N N 451 119.352 119.352 118.533 0.819 25931 1640 1 9 . 1 1 451 451 PHE C C 451 177.408 177.408 178.089 -0.681 25931 1641 1 9 . 1 1 451 451 PHE CA C 451 61.389 61.389 62.403 -1.014 25931 1642 1 9 . 1 1 451 451 PHE CB C 451 37.970 37.970 38.243 -0.273 25931 1643 1 9 . 1 1 451 451 PHE H H 451 8.630 8.630 7.780 0.850 25931 1644 1 9 . 1 1 452 452 LEU N N 452 118.462 118.462 119.870 -1.408 25931 1645 1 9 . 1 1 452 452 LEU C C 452 177.959 177.959 178.650 -0.691 25931 1646 1 9 . 1 1 452 452 LEU CA C 452 57.606 57.606 58.288 -0.682 25931 1647 1 9 . 1 1 452 452 LEU CB C 452 40.924 40.924 41.628 -0.704 25931 1648 1 9 . 1 1 452 452 LEU H H 452 8.732 8.732 7.930 0.802 25931 1649 1 9 . 1 1 453 453 THR N N 453 116.076 116.076 116.784 -0.708 25931 1650 1 9 . 1 1 453 453 THR C C 453 176.199 176.199 177.143 -0.944 25931 1651 1 9 . 1 1 453 453 THR CA C 453 67.919 67.919 67.115 0.804 25931 1652 1 9 . 1 1 453 453 THR CB C 453 67.006 67.006 68.402 -1.396 25931 1653 1 9 . 1 1 453 453 THR H H 453 8.107 8.107 8.223 -0.116 25931 1654 1 9 . 1 1 454 454 ILE N N 454 120.174 120.174 121.418 -1.244 25931 1655 1 9 . 1 1 454 454 ILE C C 454 176.934 176.934 177.418 -0.484 25931 1656 1 9 . 1 1 454 454 ILE CA C 454 65.145 65.145 65.319 -0.174 25931 1657 1 9 . 1 1 454 454 ILE CB C 454 36.595 36.595 37.417 -0.822 25931 1658 1 9 . 1 1 454 454 ILE H H 454 8.050 8.050 8.440 -0.390 25931 1659 1 9 . 1 1 455 455 ALA N N 455 121.197 121.197 122.781 -1.584 25931 1660 1 9 . 1 1 455 455 ALA C C 455 178.897 178.897 179.639 -0.742 25931 1661 1 9 . 1 1 455 455 ALA CA C 455 55.346 55.346 55.468 -0.121 25931 1662 1 9 . 1 1 455 455 ALA CB C 455 17.074 17.074 17.952 -0.878 25931 1663 1 9 . 1 1 455 455 ALA H H 455 8.255 8.255 7.817 0.438 25931 1664 1 9 . 1 1 456 456 VAL N N 456 116.760 116.760 119.019 -2.259 25931 1665 1 9 . 1 1 456 456 VAL C C 456 177.513 177.513 177.970 -0.457 25931 1666 1 9 . 1 1 456 456 VAL CA C 456 66.494 66.494 66.847 -0.353 25931 1667 1 9 . 1 1 456 456 VAL CB C 456 30.226 30.226 31.782 -1.556 25931 1668 1 9 . 1 1 456 456 VAL H H 456 8.215 8.215 7.576 0.639 25931 1669 1 9 . 1 1 457 457 LEU N N 457 119.491 119.491 119.995 -0.504 25931 1670 1 9 . 1 1 457 457 LEU C C 457 179.589 179.589 179.177 0.412 25931 1671 1 9 . 1 1 457 457 LEU CA C 457 58.056 58.056 58.013 0.043 25931 1672 1 9 . 1 1 457 457 LEU CB C 457 40.414 40.414 41.593 -1.179 25931 1673 1 9 . 1 1 457 457 LEU H H 457 8.157 8.157 7.542 0.615 25931 1674 1 9 . 1 1 458 458 LEU N N 458 118.534 118.534 119.017 -0.483 25931 1675 1 9 . 1 1 458 458 LEU C C 458 178.949 178.949 178.933 0.016 25931 1676 1 9 . 1 1 458 458 LEU CA C 458 57.395 57.395 57.879 -0.484 25931 1677 1 9 . 1 1 458 458 LEU CB C 458 40.615 40.615 41.395 -0.780 25931 1678 1 9 . 1 1 458 458 LEU H H 458 8.562 8.562 8.352 0.210 25931 1679 1 9 . 1 1 459 459 ALA N N 459 122.364 122.364 122.253 0.111 25931 1680 1 9 . 1 1 459 459 ALA C C 459 179.842 179.842 179.853 -0.011 25931 1681 1 9 . 1 1 459 459 ALA CA C 459 55.173 55.173 55.170 0.003 25931 1682 1 9 . 1 1 459 459 ALA CB C 459 17.083 17.083 18.143 -1.060 25931 1683 1 9 . 1 1 459 459 ALA H H 459 8.403 8.403 8.101 0.302 25931 1684 1 9 . 1 1 460 460 LEU N N 460 118.056 118.056 119.087 -1.031 25931 1685 1 9 . 1 1 460 460 LEU C C 460 179.308 179.308 179.290 0.018 25931 1686 1 9 . 1 1 460 460 LEU CA C 460 57.673 57.673 57.674 -0.001 25931 1687 1 9 . 1 1 460 460 LEU CB C 460 40.414 40.414 41.647 -1.233 25931 1688 1 9 . 1 1 460 460 LEU H H 460 8.530 8.530 7.994 0.536 25931 1689 1 9 . 1 1 461 461 ARG N N 461 119.570 119.570 119.467 0.103 25931 1690 1 9 . 1 1 461 461 ARG C C 461 178.608 178.608 178.666 -0.058 25931 1691 1 9 . 1 1 461 461 ARG CA C 461 57.818 57.818 59.016 -1.198 25931 1692 1 9 . 1 1 461 461 ARG CB C 461 28.607 28.607 29.688 -1.081 25931 1693 1 9 . 1 1 461 461 ARG H H 461 8.051 8.051 7.635 0.416 25931 1694 1 9 . 1 1 462 462 PHE N N 462 118.758 118.758 119.882 -1.124 25931 1695 1 9 . 1 1 462 462 PHE C C 462 177.180 177.180 178.169 -0.989 25931 1696 1 9 . 1 1 462 462 PHE CA C 462 60.701 60.701 61.305 -0.604 25931 1697 1 9 . 1 1 462 462 PHE CB C 462 38.530 38.530 39.038 -0.508 25931 1698 1 9 . 1 1 462 462 PHE H H 462 8.463 8.463 7.882 0.581 25931 1699 1 9 . 1 1 463 463 CYS N N 463 116.550 116.550 118.091 -1.541 25931 1700 1 9 . 1 1 463 463 CYS C C 463 176.092 176.092 176.628 -0.536 25931 1701 1 9 . 1 1 463 463 CYS CA C 463 62.129 62.129 63.866 -1.737 25931 1702 1 9 . 1 1 463 463 CYS CB C 463 26.966 26.966 27.377 -0.411 25931 1703 1 9 . 1 1 463 463 CYS H H 463 8.317 8.317 8.157 0.160 25931 1704 1 9 . 1 1 464 464 GLY N N 464 107.731 107.731 108.668 -0.937 25931 1705 1 9 . 1 1 464 464 GLY C C 464 174.972 174.972 175.172 -0.200 25931 1706 1 9 . 1 1 464 464 GLY CA C 464 46.074 46.074 46.534 -0.460 25931 1707 1 9 . 1 1 464 464 GLY H H 464 8.079 8.079 8.181 -0.102 25931 1708 1 9 . 1 1 465 465 ILE N N 465 120.035 120.035 120.392 -0.357 25931 1709 1 9 . 1 1 465 465 ILE C C 465 176.563 176.563 177.048 -0.485 25931 1710 1 9 . 1 1 465 465 ILE CA C 465 62.500 62.500 63.820 -1.320 25931 1711 1 9 . 1 1 465 465 ILE CB C 465 37.409 37.409 37.755 -0.346 25931 1712 1 9 . 1 1 465 465 ILE H H 465 7.771 7.771 7.264 0.507 25931 1713 1 9 . 1 1 466 466 TYR N N 466 118.754 118.754 117.185 1.569 25931 1714 1 9 . 1 1 466 466 TYR C C 466 176.313 176.313 176.603 -0.290 25931 1715 1 9 . 1 1 466 466 TYR CA C 466 58.506 58.506 59.554 -1.048 25931 1716 1 9 . 1 1 466 466 TYR CB C 466 37.917 37.917 38.538 -0.621 25931 1717 1 9 . 1 1 466 466 TYR H H 466 7.830 7.830 7.463 0.367 25931 1718 1 9 . 1 1 467 467 GLY N N 467 108.001 108.001 105.155 2.846 25931 1719 1 9 . 1 1 467 467 GLY C C 467 174.271 174.271 174.586 -0.315 25931 1720 1 9 . 1 1 467 467 GLY CA C 467 45.624 45.624 44.905 0.719 25931 1721 1 9 . 1 1 467 467 GLY H H 467 7.912 7.912 7.326 0.586 25931 1722 1 9 . 1 1 468 468 TYR N N 468 119.906 119.906 117.118 2.788 25931 1723 1 9 . 1 1 468 468 TYR C C 468 175.743 175.743 175.399 0.344 25931 1724 1 9 . 1 1 468 468 TYR CA C 468 58.268 58.268 58.514 -0.246 25931 1725 1 9 . 1 1 468 468 TYR CB C 468 37.613 37.613 37.121 0.492 25931 1726 1 9 . 1 1 468 468 TYR H H 468 7.891 7.891 7.649 0.242 25931 1727 1 9 . 1 1 469 469 ARG N N 469 120.994 120.994 121.392 -0.398 25931 1728 1 9 . 1 1 469 469 ARG C C 469 175.945 175.945 176.571 -0.626 25931 1729 1 9 . 1 1 469 469 ARG CA C 469 55.536 55.536 57.738 -2.202 25931 1730 1 9 . 1 1 469 469 ARG CB C 469 30.035 30.035 30.583 -0.548 25931 1731 1 9 . 1 1 469 469 ARG H H 469 7.868 7.868 8.341 -0.473 25931 1732 1 9 . 1 1 470 470 LEU N N 470 121.404 121.404 121.061 0.343 25931 1733 1 9 . 1 1 470 470 LEU C C 470 176.689 176.689 176.527 0.162 25931 1734 1 9 . 1 1 470 470 LEU CA C 470 54.908 54.908 55.159 -0.251 25931 1735 1 9 . 1 1 470 470 LEU CB C 470 41.077 41.077 42.112 -1.035 25931 1736 1 9 . 1 1 470 470 LEU H H 470 7.906 7.906 7.911 -0.005 25931 1737 1 9 . 1 1 471 471 ARG N N 471 120.513 120.513 123.399 -2.886 25931 1738 1 9 . 1 1 471 471 ARG C C 471 175.778 175.778 174.759 1.019 25931 1739 1 9 . 1 1 471 471 ARG CA C 471 55.358 55.358 54.772 0.586 25931 1740 1 9 . 1 1 471 471 ARG CB C 471 29.982 29.982 32.644 -2.662 25931 1741 1 9 . 1 1 471 471 ARG H H 471 7.902 7.902 8.404 -0.502 25931 1742 1 9 . 1 1 472 472 ARG N N 472 122.770 122.770 121.953 0.817 25931 1743 1 9 . 1 1 472 472 ARG C C 472 175.428 175.428 175.789 -0.361 25931 1744 1 9 . 1 1 472 472 ARG CA C 472 55.596 55.596 55.575 0.021 25931 1745 1 9 . 1 1 472 472 ARG CB C 472 29.982 29.982 31.986 -2.004 25931 1746 1 9 . 1 1 472 472 ARG H H 472 8.220 8.220 8.701 -0.481 25931 1747 1 10 . 1 1 431 431 LYS N N 431 121.472 121.472 122.779 -1.307 25931 1748 1 10 . 1 1 431 431 LYS C C 431 176.470 176.470 176.049 0.421 25931 1749 1 10 . 1 1 431 431 LYS CA C 431 56.046 56.046 55.776 0.270 25931 1750 1 10 . 1 1 431 431 LYS CB C 431 32.213 32.213 34.254 -2.041 25931 1751 1 10 . 1 1 431 431 LYS H H 431 8.503 8.503 8.305 0.198 25931 1752 1 10 . 1 1 432 432 ARG N N 432 122.845 122.845 122.346 0.499 25931 1753 1 10 . 1 1 432 432 ARG C C 432 176.155 176.155 177.599 -1.444 25931 1754 1 10 . 1 1 432 432 ARG CA C 432 55.385 55.385 55.969 -0.584 25931 1755 1 10 . 1 1 432 432 ARG CB C 432 29.615 29.615 31.269 -1.654 25931 1756 1 10 . 1 1 432 432 ARG H H 432 8.403 8.403 8.635 -0.232 25931 1757 1 10 . 1 1 433 433 SER N N 433 117.709 117.709 118.395 -0.686 25931 1758 1 10 . 1 1 433 433 SER C C 433 174.350 174.350 176.183 -1.833 25931 1759 1 10 . 1 1 433 433 SER CA C 433 57.970 57.970 61.303 -3.333 25931 1760 1 10 . 1 1 433 433 SER CB C 433 63.389 63.389 63.219 0.170 25931 1761 1 10 . 1 1 433 433 SER H H 433 8.219 8.219 8.767 -0.548 25931 1762 1 10 . 1 1 434 434 TRP N N 434 122.436 122.436 119.387 3.049 25931 1763 1 10 . 1 1 434 434 TRP C C 434 175.682 175.682 177.057 -1.375 25931 1764 1 10 . 1 1 434 434 TRP CA C 434 56.945 56.945 59.170 -2.225 25931 1765 1 10 . 1 1 434 434 TRP CB C 434 28.749 28.749 28.802 -0.053 25931 1766 1 10 . 1 1 434 434 TRP H H 434 8.143 8.143 8.039 0.104 25931 1767 1 10 . 1 1 435 435 ASP N N 435 119.681 119.681 116.688 2.993 25931 1768 1 10 . 1 1 435 435 ASP C C 435 175.734 175.734 176.972 -1.238 25931 1769 1 10 . 1 1 435 435 ASP CA C 435 53.097 53.097 55.294 -2.197 25931 1770 1 10 . 1 1 435 435 ASP CB C 435 38.446 38.446 41.144 -2.698 25931 1771 1 10 . 1 1 435 435 ASP H H 435 8.107 8.107 7.855 0.252 25931 1772 1 10 . 1 1 436 436 THR N N 436 113.878 113.878 111.060 2.818 25931 1773 1 10 . 1 1 436 436 THR C C 436 174.841 174.841 173.003 1.838 25931 1774 1 10 . 1 1 436 436 THR CA C 436 62.342 62.342 60.596 1.746 25931 1775 1 10 . 1 1 436 436 THR CB C 436 68.789 68.789 71.847 -3.058 25931 1776 1 10 . 1 1 436 436 THR H H 436 7.890 7.890 7.667 0.223 25931 1777 1 10 . 1 1 437 437 GLU N N 437 121.040 121.040 121.599 -0.559 25931 1778 1 10 . 1 1 437 437 GLU C C 437 176.085 176.085 176.312 -0.227 25931 1779 1 10 . 1 1 437 437 GLU CA C 437 56.271 56.271 55.535 0.736 25931 1780 1 10 . 1 1 437 437 GLU CB C 437 27.760 27.760 30.994 -3.234 25931 1781 1 10 . 1 1 437 437 GLU H H 437 8.178 8.178 8.513 -0.335 25931 1782 1 10 . 1 1 438 438 SER N N 438 115.041 115.041 119.232 -4.191 25931 1783 1 10 . 1 1 438 438 SER C C 438 174.622 174.622 175.966 -1.344 25931 1784 1 10 . 1 1 438 438 SER CA C 438 58.337 58.337 57.653 0.684 25931 1785 1 10 . 1 1 438 438 SER CB C 438 63.257 63.257 64.047 -0.790 25931 1786 1 10 . 1 1 438 438 SER H H 438 8.014 8.014 8.409 -0.395 25931 1787 1 10 . 1 1 439 439 VAL N N 439 119.164 119.164 123.077 -3.913 25931 1788 1 10 . 1 1 439 439 VAL C C 439 175.866 175.866 176.106 -0.240 25931 1789 1 10 . 1 1 439 439 VAL CA C 439 62.223 62.223 63.825 -1.602 25931 1790 1 10 . 1 1 439 439 VAL CB C 439 31.602 31.602 31.743 -0.141 25931 1791 1 10 . 1 1 439 439 VAL H H 439 7.867 7.867 8.262 -0.395 25931 1792 1 10 . 1 1 440 440 LEU N N 440 122.292 122.292 120.250 2.042 25931 1793 1 10 . 1 1 440 440 LEU CA C 440 54.619 54.619 52.369 2.250 25931 1794 1 10 . 1 1 440 440 LEU CB C 440 31.602 31.602 42.922 -11.320 25931 1795 1 10 . 1 1 440 440 LEU H H 440 7.951 7.951 7.445 0.506 25931 1796 1 10 . 1 1 442 442 MET C C 442 178.354 178.354 178.203 0.151 25931 1797 1 10 . 1 1 443 443 TRP N N 443 117.586 117.586 119.459 -1.873 25931 1798 1 10 . 1 1 443 443 TRP CA C 443 59.593 59.593 59.706 -0.113 25931 1799 1 10 . 1 1 443 443 TRP CB C 443 28.461 28.461 27.979 0.482 25931 1800 1 10 . 1 1 443 443 TRP H H 443 8.163 8.163 8.248 -0.085 25931 1801 1 10 . 1 1 444 444 VAL C C 444 177.425 177.425 177.649 -0.224 25931 1802 1 10 . 1 1 444 444 VAL CA C 444 65.850 65.850 64.591 1.259 25931 1803 1 10 . 1 1 445 445 LEU N N 445 119.396 119.396 120.695 -1.299 25931 1804 1 10 . 1 1 445 445 LEU C C 445 178.275 178.275 178.643 -0.368 25931 1805 1 10 . 1 1 445 445 LEU CA C 445 57.792 57.792 57.772 0.021 25931 1806 1 10 . 1 1 445 445 LEU CB C 445 40.192 40.192 40.401 -0.209 25931 1807 1 10 . 1 1 445 445 LEU H H 445 7.598 7.598 7.339 0.259 25931 1808 1 10 . 1 1 446 446 ALA N N 446 119.287 119.287 121.863 -2.576 25931 1809 1 10 . 1 1 446 446 ALA C C 446 178.827 178.827 179.905 -1.078 25931 1810 1 10 . 1 1 446 446 ALA CA C 446 55.134 55.134 55.111 0.023 25931 1811 1 10 . 1 1 446 446 ALA CB C 446 17.032 17.032 18.259 -1.227 25931 1812 1 10 . 1 1 446 446 ALA H H 446 8.360 8.360 7.886 0.474 25931 1813 1 10 . 1 1 447 447 LEU N N 447 117.101 117.101 119.320 -2.219 25931 1814 1 10 . 1 1 447 447 LEU C C 447 178.564 178.564 179.155 -0.591 25931 1815 1 10 . 1 1 447 447 LEU CA C 447 57.818 57.818 57.874 -0.056 25931 1816 1 10 . 1 1 447 447 LEU CB C 447 40.615 40.615 41.945 -1.330 25931 1817 1 10 . 1 1 447 447 LEU H H 447 7.906 7.906 7.816 0.090 25931 1818 1 10 . 1 1 448 448 ILE N N 448 118.874 118.874 119.537 -0.663 25931 1819 1 10 . 1 1 448 448 ILE C C 448 177.504 177.504 178.107 -0.603 25931 1820 1 10 . 1 1 448 448 ILE CA C 448 65.667 65.667 65.605 0.062 25931 1821 1 10 . 1 1 448 448 ILE CB C 448 36.492 36.492 37.712 -1.220 25931 1822 1 10 . 1 1 448 448 ILE H H 448 8.206 8.206 7.691 0.515 25931 1823 1 10 . 1 1 449 449 VAL N N 449 118.932 118.932 120.129 -1.197 25931 1824 1 10 . 1 1 449 449 VAL C C 449 179.107 179.107 178.093 1.014 25931 1825 1 10 . 1 1 449 449 VAL CA C 449 66.917 66.917 66.707 0.210 25931 1826 1 10 . 1 1 449 449 VAL CB C 449 30.226 30.226 31.072 -0.846 25931 1827 1 10 . 1 1 449 449 VAL H H 449 8.271 8.271 7.589 0.682 25931 1828 1 10 . 1 1 450 450 ILE N N 450 123.013 123.013 120.995 2.018 25931 1829 1 10 . 1 1 450 450 ILE C C 450 177.092 177.092 178.617 -1.525 25931 1830 1 10 . 1 1 450 450 ILE CA C 450 65.594 65.594 63.337 2.257 25931 1831 1 10 . 1 1 450 450 ILE CB C 450 36.594 36.594 36.709 -0.115 25931 1832 1 10 . 1 1 450 450 ILE H H 450 8.603 8.603 7.623 0.980 25931 1833 1 10 . 1 1 451 451 PHE N N 451 119.352 119.352 119.189 0.163 25931 1834 1 10 . 1 1 451 451 PHE C C 451 177.408 177.408 178.237 -0.829 25931 1835 1 10 . 1 1 451 451 PHE CA C 451 61.389 61.389 62.353 -0.965 25931 1836 1 10 . 1 1 451 451 PHE CB C 451 37.970 37.970 38.077 -0.107 25931 1837 1 10 . 1 1 451 451 PHE H H 451 8.630 8.630 7.809 0.821 25931 1838 1 10 . 1 1 452 452 LEU N N 452 118.462 118.462 120.176 -1.714 25931 1839 1 10 . 1 1 452 452 LEU C C 452 177.959 177.959 178.322 -0.363 25931 1840 1 10 . 1 1 452 452 LEU CA C 452 57.606 57.606 58.077 -0.471 25931 1841 1 10 . 1 1 452 452 LEU CB C 452 40.924 40.924 41.682 -0.758 25931 1842 1 10 . 1 1 452 452 LEU H H 452 8.732 8.732 8.278 0.454 25931 1843 1 10 . 1 1 453 453 THR N N 453 116.076 116.076 114.337 1.739 25931 1844 1 10 . 1 1 453 453 THR C C 453 176.199 176.199 177.025 -0.826 25931 1845 1 10 . 1 1 453 453 THR CA C 453 67.919 67.919 66.631 1.288 25931 1846 1 10 . 1 1 453 453 THR CB C 453 67.006 67.006 68.614 -1.608 25931 1847 1 10 . 1 1 453 453 THR H H 453 8.107 8.107 8.228 -0.121 25931 1848 1 10 . 1 1 454 454 ILE N N 454 120.174 120.174 122.012 -1.838 25931 1849 1 10 . 1 1 454 454 ILE C C 454 176.934 176.934 177.761 -0.827 25931 1850 1 10 . 1 1 454 454 ILE CA C 454 65.145 65.145 65.011 0.134 25931 1851 1 10 . 1 1 454 454 ILE CB C 454 36.595 36.595 37.586 -0.991 25931 1852 1 10 . 1 1 454 454 ILE H H 454 8.050 8.050 8.041 0.009 25931 1853 1 10 . 1 1 455 455 ALA N N 455 121.197 121.197 122.665 -1.468 25931 1854 1 10 . 1 1 455 455 ALA C C 455 178.897 178.897 179.619 -0.722 25931 1855 1 10 . 1 1 455 455 ALA CA C 455 55.346 55.346 55.404 -0.058 25931 1856 1 10 . 1 1 455 455 ALA CB C 455 17.074 17.074 18.162 -1.088 25931 1857 1 10 . 1 1 455 455 ALA H H 455 8.255 8.255 8.032 0.223 25931 1858 1 10 . 1 1 456 456 VAL N N 456 116.760 116.760 118.860 -2.100 25931 1859 1 10 . 1 1 456 456 VAL C C 456 177.513 177.513 177.693 -0.180 25931 1860 1 10 . 1 1 456 456 VAL CA C 456 66.494 66.494 65.684 0.810 25931 1861 1 10 . 1 1 456 456 VAL CB C 456 30.226 30.226 31.445 -1.219 25931 1862 1 10 . 1 1 456 456 VAL H H 456 8.215 8.215 7.814 0.401 25931 1863 1 10 . 1 1 457 457 LEU N N 457 119.491 119.491 120.211 -0.720 25931 1864 1 10 . 1 1 457 457 LEU C C 457 179.589 179.589 179.302 0.287 25931 1865 1 10 . 1 1 457 457 LEU CA C 457 58.056 58.056 58.080 -0.024 25931 1866 1 10 . 1 1 457 457 LEU CB C 457 40.414 40.414 41.634 -1.220 25931 1867 1 10 . 1 1 457 457 LEU H H 457 8.157 8.157 7.510 0.647 25931 1868 1 10 . 1 1 458 458 LEU N N 458 118.534 118.534 119.047 -0.513 25931 1869 1 10 . 1 1 458 458 LEU C C 458 178.949 178.949 178.937 0.012 25931 1870 1 10 . 1 1 458 458 LEU CA C 458 57.395 57.395 57.862 -0.467 25931 1871 1 10 . 1 1 458 458 LEU CB C 458 40.615 40.615 41.403 -0.788 25931 1872 1 10 . 1 1 458 458 LEU H H 458 8.562 8.562 8.097 0.465 25931 1873 1 10 . 1 1 459 459 ALA N N 459 122.364 122.364 122.477 -0.113 25931 1874 1 10 . 1 1 459 459 ALA C C 459 179.842 179.842 179.741 0.101 25931 1875 1 10 . 1 1 459 459 ALA CA C 459 55.173 55.173 55.210 -0.037 25931 1876 1 10 . 1 1 459 459 ALA CB C 459 17.083 17.083 18.299 -1.216 25931 1877 1 10 . 1 1 459 459 ALA H H 459 8.403 8.403 8.207 0.196 25931 1878 1 10 . 1 1 460 460 LEU N N 460 118.056 118.056 119.438 -1.382 25931 1879 1 10 . 1 1 460 460 LEU C C 460 179.308 179.308 179.293 0.015 25931 1880 1 10 . 1 1 460 460 LEU CA C 460 57.673 57.673 57.859 -0.186 25931 1881 1 10 . 1 1 460 460 LEU CB C 460 40.414 40.414 41.537 -1.123 25931 1882 1 10 . 1 1 460 460 LEU H H 460 8.530 8.530 7.992 0.538 25931 1883 1 10 . 1 1 461 461 ARG N N 461 119.570 119.570 119.762 -0.192 25931 1884 1 10 . 1 1 461 461 ARG C C 461 178.608 178.608 178.594 0.014 25931 1885 1 10 . 1 1 461 461 ARG CA C 461 57.818 57.818 59.174 -1.356 25931 1886 1 10 . 1 1 461 461 ARG CB C 461 28.607 28.607 29.944 -1.337 25931 1887 1 10 . 1 1 461 461 ARG H H 461 8.051 8.051 7.666 0.385 25931 1888 1 10 . 1 1 462 462 PHE N N 462 118.758 118.758 121.158 -2.400 25931 1889 1 10 . 1 1 462 462 PHE C C 462 177.180 177.180 177.642 -0.462 25931 1890 1 10 . 1 1 462 462 PHE CA C 462 60.701 60.701 61.657 -0.956 25931 1891 1 10 . 1 1 462 462 PHE CB C 462 38.530 38.530 39.035 -0.505 25931 1892 1 10 . 1 1 462 462 PHE H H 462 8.463 8.463 8.244 0.219 25931 1893 1 10 . 1 1 463 463 CYS N N 463 116.550 116.550 117.664 -1.114 25931 1894 1 10 . 1 1 463 463 CYS C C 463 176.092 176.092 177.519 -1.427 25931 1895 1 10 . 1 1 463 463 CYS CA C 463 62.129 62.129 63.312 -1.183 25931 1896 1 10 . 1 1 463 463 CYS CB C 463 26.966 26.966 27.503 -0.537 25931 1897 1 10 . 1 1 463 463 CYS H H 463 8.317 8.317 9.038 -0.721 25931 1898 1 10 . 1 1 464 464 GLY N N 464 107.731 107.731 109.886 -2.155 25931 1899 1 10 . 1 1 464 464 GLY C C 464 174.972 174.972 176.254 -1.282 25931 1900 1 10 . 1 1 464 464 GLY CA C 464 46.074 46.074 47.071 -0.997 25931 1901 1 10 . 1 1 464 464 GLY H H 464 8.079 8.079 8.392 -0.313 25931 1902 1 10 . 1 1 465 465 ILE N N 465 120.035 120.035 121.422 -1.387 25931 1903 1 10 . 1 1 465 465 ILE C C 465 176.563 176.563 178.115 -1.552 25931 1904 1 10 . 1 1 465 465 ILE CA C 465 62.500 62.500 62.797 -0.297 25931 1905 1 10 . 1 1 465 465 ILE CB C 465 37.409 37.409 37.008 0.401 25931 1906 1 10 . 1 1 465 465 ILE H H 465 7.771 7.771 7.719 0.052 25931 1907 1 10 . 1 1 466 466 TYR N N 466 118.754 118.754 117.403 1.351 25931 1908 1 10 . 1 1 466 466 TYR C C 466 176.313 176.313 176.600 -0.287 25931 1909 1 10 . 1 1 466 466 TYR CA C 466 58.506 58.506 59.565 -1.059 25931 1910 1 10 . 1 1 466 466 TYR CB C 466 37.917 37.917 38.676 -0.759 25931 1911 1 10 . 1 1 466 466 TYR H H 466 7.830 7.830 7.640 0.190 25931 1912 1 10 . 1 1 467 467 GLY N N 467 108.001 108.001 105.509 2.492 25931 1913 1 10 . 1 1 467 467 GLY C C 467 174.271 174.271 175.136 -0.865 25931 1914 1 10 . 1 1 467 467 GLY CA C 467 45.624 45.624 45.771 -0.147 25931 1915 1 10 . 1 1 467 467 GLY H H 467 7.912 7.912 8.141 -0.229 25931 1916 1 10 . 1 1 468 468 TYR N N 468 119.906 119.906 121.822 -1.916 25931 1917 1 10 . 1 1 468 468 TYR C C 468 175.743 175.743 175.967 -0.224 25931 1918 1 10 . 1 1 468 468 TYR CA C 468 58.268 58.268 61.932 -3.664 25931 1919 1 10 . 1 1 468 468 TYR CB C 468 37.613 37.613 38.456 -0.843 25931 1920 1 10 . 1 1 468 468 TYR H H 468 7.891 7.891 7.828 0.063 25931 1921 1 10 . 1 1 469 469 ARG N N 469 120.994 120.994 118.616 2.378 25931 1922 1 10 . 1 1 469 469 ARG C C 469 175.945 175.945 177.660 -1.715 25931 1923 1 10 . 1 1 469 469 ARG CA C 469 55.536 55.536 58.465 -2.929 25931 1924 1 10 . 1 1 469 469 ARG CB C 469 30.035 30.035 30.364 -0.329 25931 1925 1 10 . 1 1 469 469 ARG H H 469 7.868 7.868 7.685 0.183 25931 1926 1 10 . 1 1 470 470 LEU N N 470 121.404 121.404 117.919 3.485 25931 1927 1 10 . 1 1 470 470 LEU C C 470 176.689 176.689 177.217 -0.528 25931 1928 1 10 . 1 1 470 470 LEU CA C 470 54.908 54.908 56.918 -2.010 25931 1929 1 10 . 1 1 470 470 LEU CB C 470 41.077 41.077 42.125 -1.048 25931 1930 1 10 . 1 1 470 470 LEU H H 470 7.906 7.906 8.120 -0.214 25931 1931 1 10 . 1 1 471 471 ARG N N 471 120.513 120.513 118.679 1.834 25931 1932 1 10 . 1 1 471 471 ARG C C 471 175.778 175.778 175.480 0.298 25931 1933 1 10 . 1 1 471 471 ARG CA C 471 55.358 55.358 55.789 -0.431 25931 1934 1 10 . 1 1 471 471 ARG CB C 471 29.982 29.982 30.787 -0.805 25931 1935 1 10 . 1 1 471 471 ARG H H 471 7.902 7.902 7.795 0.107 25931 1936 1 10 . 1 1 472 472 ARG N N 472 122.770 122.770 121.783 0.987 25931 1937 1 10 . 1 1 472 472 ARG C C 472 175.428 175.428 176.504 -1.076 25931 1938 1 10 . 1 1 472 472 ARG CA C 472 55.596 55.596 55.461 0.135 25931 1939 1 10 . 1 1 472 472 ARG CB C 472 29.982 29.982 30.756 -0.774 25931 1940 1 10 . 1 1 472 472 ARG H H 472 8.220 8.220 8.355 -0.135 25931 1941 1 11 . 1 1 431 431 LYS N N 431 121.472 121.472 122.631 -1.159 25931 1942 1 11 . 1 1 431 431 LYS C C 431 176.470 176.470 177.136 -0.666 25931 1943 1 11 . 1 1 431 431 LYS CA C 431 56.046 56.046 55.769 0.277 25931 1944 1 11 . 1 1 431 431 LYS CB C 431 32.213 32.213 34.407 -2.194 25931 1945 1 11 . 1 1 431 431 LYS H H 431 8.503 8.503 8.219 0.284 25931 1946 1 11 . 1 1 432 432 ARG N N 432 122.845 122.845 121.145 1.700 25931 1947 1 11 . 1 1 432 432 ARG C C 432 176.155 176.155 176.825 -0.670 25931 1948 1 11 . 1 1 432 432 ARG CA C 432 55.385 55.385 57.800 -2.415 25931 1949 1 11 . 1 1 432 432 ARG CB C 432 29.615 29.615 30.769 -1.154 25931 1950 1 11 . 1 1 432 432 ARG H H 432 8.403 8.403 8.688 -0.285 25931 1951 1 11 . 1 1 433 433 SER N N 433 117.709 117.709 111.295 6.414 25931 1952 1 11 . 1 1 433 433 SER C C 433 174.350 174.350 173.787 0.563 25931 1953 1 11 . 1 1 433 433 SER CA C 433 57.970 57.970 57.280 0.690 25931 1954 1 11 . 1 1 433 433 SER CB C 433 63.389 63.389 64.234 -0.845 25931 1955 1 11 . 1 1 433 433 SER H H 433 8.219 8.219 7.647 0.572 25931 1956 1 11 . 1 1 434 434 TRP N N 434 122.436 122.436 123.585 -1.149 25931 1957 1 11 . 1 1 434 434 TRP C C 434 175.682 175.682 175.984 -0.302 25931 1958 1 11 . 1 1 434 434 TRP CA C 434 56.945 56.945 59.396 -2.451 25931 1959 1 11 . 1 1 434 434 TRP CB C 434 28.749 28.749 29.693 -0.944 25931 1960 1 11 . 1 1 434 434 TRP H H 434 8.143 8.143 8.657 -0.514 25931 1961 1 11 . 1 1 435 435 ASP N N 435 119.681 119.681 117.685 1.996 25931 1962 1 11 . 1 1 435 435 ASP C C 435 175.734 175.734 175.437 0.297 25931 1963 1 11 . 1 1 435 435 ASP CA C 435 53.097 53.097 53.107 -0.010 25931 1964 1 11 . 1 1 435 435 ASP CB C 435 38.446 38.446 40.320 -1.874 25931 1965 1 11 . 1 1 435 435 ASP H H 435 8.107 8.107 8.114 -0.007 25931 1966 1 11 . 1 1 436 436 THR N N 436 113.878 113.878 119.408 -5.530 25931 1967 1 11 . 1 1 436 436 THR C C 436 174.841 174.841 174.392 0.449 25931 1968 1 11 . 1 1 436 436 THR CA C 436 62.342 62.342 61.767 0.575 25931 1969 1 11 . 1 1 436 436 THR CB C 436 68.789 68.789 70.435 -1.646 25931 1970 1 11 . 1 1 436 436 THR H H 436 7.890 7.890 8.119 -0.229 25931 1971 1 11 . 1 1 437 437 GLU N N 437 121.040 121.040 126.329 -5.289 25931 1972 1 11 . 1 1 437 437 GLU C C 437 176.085 176.085 176.491 -0.406 25931 1973 1 11 . 1 1 437 437 GLU CA C 437 56.271 56.271 56.486 -0.214 25931 1974 1 11 . 1 1 437 437 GLU CB C 437 27.760 27.760 30.415 -2.655 25931 1975 1 11 . 1 1 437 437 GLU H H 437 8.178 8.178 8.527 -0.349 25931 1976 1 11 . 1 1 438 438 SER N N 438 115.041 115.041 116.964 -1.923 25931 1977 1 11 . 1 1 438 438 SER C C 438 174.622 174.622 175.779 -1.157 25931 1978 1 11 . 1 1 438 438 SER CA C 438 58.337 58.337 57.478 0.859 25931 1979 1 11 . 1 1 438 438 SER CB C 438 63.257 63.257 64.376 -1.119 25931 1980 1 11 . 1 1 438 438 SER H H 438 8.014 8.014 8.241 -0.227 25931 1981 1 11 . 1 1 439 439 VAL N N 439 119.164 119.164 119.727 -0.563 25931 1982 1 11 . 1 1 439 439 VAL C C 439 175.866 175.866 176.617 -0.751 25931 1983 1 11 . 1 1 439 439 VAL CA C 439 62.223 62.223 64.510 -2.287 25931 1984 1 11 . 1 1 439 439 VAL CB C 439 31.602 31.602 31.802 -0.200 25931 1985 1 11 . 1 1 439 439 VAL H H 439 7.867 7.867 8.358 -0.491 25931 1986 1 11 . 1 1 440 440 LEU N N 440 122.292 122.292 120.520 1.772 25931 1987 1 11 . 1 1 440 440 LEU CA C 440 54.619 54.619 52.438 2.180 25931 1988 1 11 . 1 1 440 440 LEU CB C 440 31.602 31.602 43.036 -11.434 25931 1989 1 11 . 1 1 440 440 LEU H H 440 7.951 7.951 7.619 0.332 25931 1990 1 11 . 1 1 442 442 MET C C 442 178.354 178.354 177.846 0.508 25931 1991 1 11 . 1 1 443 443 TRP N N 443 117.586 117.586 117.431 0.155 25931 1992 1 11 . 1 1 443 443 TRP CA C 443 59.593 59.593 59.292 0.301 25931 1993 1 11 . 1 1 443 443 TRP CB C 443 28.461 28.461 27.779 0.682 25931 1994 1 11 . 1 1 443 443 TRP H H 443 8.163 8.163 8.374 -0.211 25931 1995 1 11 . 1 1 444 444 VAL C C 444 177.425 177.425 177.311 0.114 25931 1996 1 11 . 1 1 444 444 VAL CA C 444 65.850 65.850 65.414 0.436 25931 1997 1 11 . 1 1 445 445 LEU N N 445 119.396 119.396 121.194 -1.798 25931 1998 1 11 . 1 1 445 445 LEU C C 445 178.275 178.275 178.190 0.085 25931 1999 1 11 . 1 1 445 445 LEU CA C 445 57.792 57.792 57.446 0.346 25931 2000 1 11 . 1 1 445 445 LEU CB C 445 40.192 40.192 41.200 -1.008 25931 2001 1 11 . 1 1 445 445 LEU H H 445 7.598 7.598 7.356 0.242 25931 2002 1 11 . 1 1 446 446 ALA N N 446 119.287 119.287 121.696 -2.409 25931 2003 1 11 . 1 1 446 446 ALA C C 446 178.827 178.827 179.806 -0.979 25931 2004 1 11 . 1 1 446 446 ALA CA C 446 55.134 55.134 55.083 0.051 25931 2005 1 11 . 1 1 446 446 ALA CB C 446 17.032 17.032 18.175 -1.143 25931 2006 1 11 . 1 1 446 446 ALA H H 446 8.360 8.360 7.511 0.849 25931 2007 1 11 . 1 1 447 447 LEU N N 447 117.101 117.101 119.306 -2.205 25931 2008 1 11 . 1 1 447 447 LEU C C 447 178.564 178.564 179.139 -0.575 25931 2009 1 11 . 1 1 447 447 LEU CA C 447 57.818 57.818 57.890 -0.072 25931 2010 1 11 . 1 1 447 447 LEU CB C 447 40.615 40.615 41.957 -1.342 25931 2011 1 11 . 1 1 447 447 LEU H H 447 7.906 7.906 7.767 0.139 25931 2012 1 11 . 1 1 448 448 ILE N N 448 118.874 118.874 119.431 -0.557 25931 2013 1 11 . 1 1 448 448 ILE C C 448 177.504 177.504 178.069 -0.565 25931 2014 1 11 . 1 1 448 448 ILE CA C 448 65.667 65.667 65.821 -0.154 25931 2015 1 11 . 1 1 448 448 ILE CB C 448 36.492 36.492 37.849 -1.357 25931 2016 1 11 . 1 1 448 448 ILE H H 448 8.206 8.206 7.556 0.650 25931 2017 1 11 . 1 1 449 449 VAL N N 449 118.932 118.932 120.186 -1.254 25931 2018 1 11 . 1 1 449 449 VAL C C 449 179.107 179.107 177.933 1.174 25931 2019 1 11 . 1 1 449 449 VAL CA C 449 66.917 66.917 67.325 -0.408 25931 2020 1 11 . 1 1 449 449 VAL CB C 449 30.226 30.226 31.706 -1.480 25931 2021 1 11 . 1 1 449 449 VAL H H 449 8.271 8.271 7.599 0.672 25931 2022 1 11 . 1 1 450 450 ILE N N 450 123.013 123.013 120.481 2.532 25931 2023 1 11 . 1 1 450 450 ILE C C 450 177.092 177.092 177.792 -0.700 25931 2024 1 11 . 1 1 450 450 ILE CA C 450 65.594 65.594 65.302 0.292 25931 2025 1 11 . 1 1 450 450 ILE CB C 450 36.594 36.594 37.623 -1.029 25931 2026 1 11 . 1 1 450 450 ILE H H 450 8.603 8.603 7.592 1.011 25931 2027 1 11 . 1 1 451 451 PHE N N 451 119.352 119.352 118.935 0.417 25931 2028 1 11 . 1 1 451 451 PHE C C 451 177.408 177.408 178.031 -0.623 25931 2029 1 11 . 1 1 451 451 PHE CA C 451 61.389 61.389 62.540 -1.151 25931 2030 1 11 . 1 1 451 451 PHE CB C 451 37.970 37.970 38.307 -0.337 25931 2031 1 11 . 1 1 451 451 PHE H H 451 8.630 8.630 7.794 0.836 25931 2032 1 11 . 1 1 452 452 LEU N N 452 118.462 118.462 119.310 -0.848 25931 2033 1 11 . 1 1 452 452 LEU C C 452 177.959 177.959 179.226 -1.267 25931 2034 1 11 . 1 1 452 452 LEU CA C 452 57.606 57.606 58.263 -0.657 25931 2035 1 11 . 1 1 452 452 LEU CB C 452 40.924 40.924 41.525 -0.601 25931 2036 1 11 . 1 1 452 452 LEU H H 452 8.732 8.732 8.400 0.332 25931 2037 1 11 . 1 1 453 453 THR N N 453 116.076 116.076 116.878 -0.802 25931 2038 1 11 . 1 1 453 453 THR C C 453 176.199 176.199 176.989 -0.790 25931 2039 1 11 . 1 1 453 453 THR CA C 453 67.919 67.919 67.264 0.655 25931 2040 1 11 . 1 1 453 453 THR CB C 453 67.006 67.006 68.674 -1.668 25931 2041 1 11 . 1 1 453 453 THR H H 453 8.107 8.107 8.328 -0.221 25931 2042 1 11 . 1 1 454 454 ILE N N 454 120.174 120.174 121.243 -1.069 25931 2043 1 11 . 1 1 454 454 ILE C C 454 176.934 176.934 177.555 -0.621 25931 2044 1 11 . 1 1 454 454 ILE CA C 454 65.145 65.145 65.208 -0.063 25931 2045 1 11 . 1 1 454 454 ILE CB C 454 36.595 36.595 37.554 -0.959 25931 2046 1 11 . 1 1 454 454 ILE H H 454 8.050 8.050 8.411 -0.361 25931 2047 1 11 . 1 1 455 455 ALA N N 455 121.197 121.197 123.129 -1.932 25931 2048 1 11 . 1 1 455 455 ALA C C 455 178.897 178.897 179.648 -0.751 25931 2049 1 11 . 1 1 455 455 ALA CA C 455 55.346 55.346 55.555 -0.209 25931 2050 1 11 . 1 1 455 455 ALA CB C 455 17.074 17.074 18.150 -1.076 25931 2051 1 11 . 1 1 455 455 ALA H H 455 8.255 8.255 8.076 0.179 25931 2052 1 11 . 1 1 456 456 VAL N N 456 116.760 116.760 119.251 -2.491 25931 2053 1 11 . 1 1 456 456 VAL C C 456 177.513 177.513 178.017 -0.504 25931 2054 1 11 . 1 1 456 456 VAL CA C 456 66.494 66.494 66.377 0.117 25931 2055 1 11 . 1 1 456 456 VAL CB C 456 30.226 30.226 31.458 -1.232 25931 2056 1 11 . 1 1 456 456 VAL H H 456 8.215 8.215 7.966 0.249 25931 2057 1 11 . 1 1 457 457 LEU N N 457 119.491 119.491 119.678 -0.187 25931 2058 1 11 . 1 1 457 457 LEU C C 457 179.589 179.589 179.166 0.423 25931 2059 1 11 . 1 1 457 457 LEU CA C 457 58.056 58.056 58.089 -0.033 25931 2060 1 11 . 1 1 457 457 LEU CB C 457 40.414 40.414 41.576 -1.162 25931 2061 1 11 . 1 1 457 457 LEU H H 457 8.157 8.157 7.605 0.552 25931 2062 1 11 . 1 1 458 458 LEU N N 458 118.534 118.534 119.096 -0.562 25931 2063 1 11 . 1 1 458 458 LEU C C 458 178.949 178.949 178.936 0.013 25931 2064 1 11 . 1 1 458 458 LEU CA C 458 57.395 57.395 57.880 -0.485 25931 2065 1 11 . 1 1 458 458 LEU CB C 458 40.615 40.615 41.396 -0.781 25931 2066 1 11 . 1 1 458 458 LEU H H 458 8.562 8.562 8.206 0.356 25931 2067 1 11 . 1 1 459 459 ALA N N 459 122.364 122.364 122.540 -0.176 25931 2068 1 11 . 1 1 459 459 ALA C C 459 179.842 179.842 179.787 0.055 25931 2069 1 11 . 1 1 459 459 ALA CA C 459 55.173 55.173 55.363 -0.190 25931 2070 1 11 . 1 1 459 459 ALA CB C 459 17.083 17.083 18.157 -1.074 25931 2071 1 11 . 1 1 459 459 ALA H H 459 8.403 8.403 8.332 0.071 25931 2072 1 11 . 1 1 460 460 LEU N N 460 118.056 118.056 119.780 -1.724 25931 2073 1 11 . 1 1 460 460 LEU C C 460 179.308 179.308 179.602 -0.294 25931 2074 1 11 . 1 1 460 460 LEU CA C 460 57.673 57.673 57.496 0.177 25931 2075 1 11 . 1 1 460 460 LEU CB C 460 40.414 40.414 41.573 -1.159 25931 2076 1 11 . 1 1 460 460 LEU H H 460 8.530 8.530 7.945 0.585 25931 2077 1 11 . 1 1 461 461 ARG N N 461 119.570 119.570 118.999 0.571 25931 2078 1 11 . 1 1 461 461 ARG C C 461 178.608 178.608 178.512 0.096 25931 2079 1 11 . 1 1 461 461 ARG CA C 461 57.818 57.818 58.667 -0.849 25931 2080 1 11 . 1 1 461 461 ARG CB C 461 28.607 28.607 29.761 -1.154 25931 2081 1 11 . 1 1 461 461 ARG H H 461 8.051 8.051 7.675 0.376 25931 2082 1 11 . 1 1 462 462 PHE N N 462 118.758 118.758 121.184 -2.426 25931 2083 1 11 . 1 1 462 462 PHE C C 462 177.180 177.180 177.781 -0.601 25931 2084 1 11 . 1 1 462 462 PHE CA C 462 60.701 60.701 61.446 -0.745 25931 2085 1 11 . 1 1 462 462 PHE CB C 462 38.530 38.530 39.351 -0.821 25931 2086 1 11 . 1 1 462 462 PHE H H 462 8.463 8.463 8.522 -0.059 25931 2087 1 11 . 1 1 463 463 CYS N N 463 116.550 116.550 117.137 -0.587 25931 2088 1 11 . 1 1 463 463 CYS C C 463 176.092 176.092 177.487 -1.395 25931 2089 1 11 . 1 1 463 463 CYS CA C 463 62.129 62.129 60.842 1.288 25931 2090 1 11 . 1 1 463 463 CYS CB C 463 26.966 26.966 27.956 -0.990 25931 2091 1 11 . 1 1 463 463 CYS H H 463 8.317 8.317 9.139 -0.822 25931 2092 1 11 . 1 1 464 464 GLY N N 464 107.731 107.731 110.624 -2.893 25931 2093 1 11 . 1 1 464 464 GLY C C 464 174.972 174.972 175.981 -1.009 25931 2094 1 11 . 1 1 464 464 GLY CA C 464 46.074 46.074 46.843 -0.769 25931 2095 1 11 . 1 1 464 464 GLY H H 464 8.079 8.079 8.307 -0.228 25931 2096 1 11 . 1 1 465 465 ILE N N 465 120.035 120.035 120.692 -0.657 25931 2097 1 11 . 1 1 465 465 ILE C C 465 176.563 176.563 176.827 -0.264 25931 2098 1 11 . 1 1 465 465 ILE CA C 465 62.500 62.500 63.626 -1.126 25931 2099 1 11 . 1 1 465 465 ILE CB C 465 37.409 37.409 38.325 -0.916 25931 2100 1 11 . 1 1 465 465 ILE H H 465 7.771 7.771 7.632 0.139 25931 2101 1 11 . 1 1 466 466 TYR N N 466 118.754 118.754 117.046 1.708 25931 2102 1 11 . 1 1 466 466 TYR C C 466 176.313 176.313 176.403 -0.090 25931 2103 1 11 . 1 1 466 466 TYR CA C 466 58.506 58.506 59.551 -1.046 25931 2104 1 11 . 1 1 466 466 TYR CB C 466 37.917 37.917 38.859 -0.942 25931 2105 1 11 . 1 1 466 466 TYR H H 466 7.830 7.830 7.540 0.290 25931 2106 1 11 . 1 1 467 467 GLY N N 467 108.001 108.001 106.723 1.278 25931 2107 1 11 . 1 1 467 467 GLY C C 467 174.271 174.271 173.852 0.419 25931 2108 1 11 . 1 1 467 467 GLY CA C 467 45.624 45.624 45.303 0.321 25931 2109 1 11 . 1 1 467 467 GLY H H 467 7.912 7.912 7.875 0.037 25931 2110 1 11 . 1 1 468 468 TYR N N 468 119.906 119.906 121.896 -1.990 25931 2111 1 11 . 1 1 468 468 TYR C C 468 175.743 175.743 175.264 0.479 25931 2112 1 11 . 1 1 468 468 TYR CA C 468 58.268 58.268 58.181 0.087 25931 2113 1 11 . 1 1 468 468 TYR CB C 468 37.613 37.613 39.106 -1.494 25931 2114 1 11 . 1 1 468 468 TYR H H 468 7.891 7.891 7.592 0.299 25931 2115 1 11 . 1 1 469 469 ARG N N 469 120.994 120.994 126.047 -5.053 25931 2116 1 11 . 1 1 469 469 ARG C C 469 175.945 175.945 174.267 1.678 25931 2117 1 11 . 1 1 469 469 ARG CA C 469 55.536 55.536 56.613 -1.077 25931 2118 1 11 . 1 1 469 469 ARG CB C 469 30.035 30.035 28.831 1.204 25931 2119 1 11 . 1 1 469 469 ARG H H 469 7.868 7.868 8.084 -0.216 25931 2120 1 11 . 1 1 470 470 LEU N N 470 121.404 121.404 123.707 -2.303 25931 2121 1 11 . 1 1 470 470 LEU C C 470 176.689 176.689 176.505 0.184 25931 2122 1 11 . 1 1 470 470 LEU CA C 470 54.908 54.908 54.064 0.844 25931 2123 1 11 . 1 1 470 470 LEU CB C 470 41.077 41.077 43.654 -2.577 25931 2124 1 11 . 1 1 470 470 LEU H H 470 7.906 7.906 8.331 -0.425 25931 2125 1 11 . 1 1 471 471 ARG N N 471 120.513 120.513 125.353 -4.840 25931 2126 1 11 . 1 1 471 471 ARG C C 471 175.778 175.778 175.729 0.049 25931 2127 1 11 . 1 1 471 471 ARG CA C 471 55.358 55.358 55.900 -0.542 25931 2128 1 11 . 1 1 471 471 ARG CB C 471 29.982 29.982 31.072 -1.090 25931 2129 1 11 . 1 1 471 471 ARG H H 471 7.902 7.902 8.485 -0.583 25931 2130 1 11 . 1 1 472 472 ARG N N 472 122.770 122.770 121.991 0.779 25931 2131 1 11 . 1 1 472 472 ARG C C 472 175.428 175.428 175.386 0.042 25931 2132 1 11 . 1 1 472 472 ARG CA C 472 55.596 55.596 55.405 0.191 25931 2133 1 11 . 1 1 472 472 ARG CB C 472 29.982 29.982 32.036 -2.054 25931 2134 1 11 . 1 1 472 472 ARG H H 472 8.220 8.220 8.536 -0.316 25931 2135 1 12 . 1 1 431 431 LYS N N 431 121.472 121.472 123.108 -1.636 25931 2136 1 12 . 1 1 431 431 LYS C C 431 176.470 176.470 177.300 -0.830 25931 2137 1 12 . 1 1 431 431 LYS CA C 431 56.046 56.046 55.986 0.060 25931 2138 1 12 . 1 1 431 431 LYS CB C 431 32.213 32.213 33.262 -1.049 25931 2139 1 12 . 1 1 431 431 LYS H H 431 8.503 8.503 8.110 0.393 25931 2140 1 12 . 1 1 432 432 ARG N N 432 122.845 122.845 124.330 -1.485 25931 2141 1 12 . 1 1 432 432 ARG C C 432 176.155 176.155 176.116 0.039 25931 2142 1 12 . 1 1 432 432 ARG CA C 432 55.385 55.385 57.686 -2.301 25931 2143 1 12 . 1 1 432 432 ARG CB C 432 29.615 29.615 30.640 -1.025 25931 2144 1 12 . 1 1 432 432 ARG H H 432 8.403 8.403 8.642 -0.239 25931 2145 1 12 . 1 1 433 433 SER N N 433 117.709 117.709 112.563 5.146 25931 2146 1 12 . 1 1 433 433 SER C C 433 174.350 174.350 173.940 0.410 25931 2147 1 12 . 1 1 433 433 SER CA C 433 57.970 57.970 57.867 0.103 25931 2148 1 12 . 1 1 433 433 SER CB C 433 63.389 63.389 64.029 -0.640 25931 2149 1 12 . 1 1 433 433 SER H H 433 8.219 8.219 7.786 0.433 25931 2150 1 12 . 1 1 434 434 TRP N N 434 122.436 122.436 121.825 0.611 25931 2151 1 12 . 1 1 434 434 TRP C C 434 175.682 175.682 176.840 -1.158 25931 2152 1 12 . 1 1 434 434 TRP CA C 434 56.945 56.945 55.358 1.587 25931 2153 1 12 . 1 1 434 434 TRP CB C 434 28.749 28.749 29.984 -1.235 25931 2154 1 12 . 1 1 434 434 TRP H H 434 8.143 8.143 8.231 -0.088 25931 2155 1 12 . 1 1 435 435 ASP N N 435 119.681 119.681 120.136 -0.455 25931 2156 1 12 . 1 1 435 435 ASP C C 435 175.734 175.734 176.663 -0.929 25931 2157 1 12 . 1 1 435 435 ASP CA C 435 53.097 53.097 55.792 -2.695 25931 2158 1 12 . 1 1 435 435 ASP CB C 435 38.446 38.446 41.355 -2.909 25931 2159 1 12 . 1 1 435 435 ASP H H 435 8.107 8.107 8.526 -0.419 25931 2160 1 12 . 1 1 436 436 THR N N 436 113.878 113.878 108.363 5.515 25931 2161 1 12 . 1 1 436 436 THR C C 436 174.841 174.841 174.151 0.690 25931 2162 1 12 . 1 1 436 436 THR CA C 436 62.342 62.342 60.448 1.894 25931 2163 1 12 . 1 1 436 436 THR CB C 436 68.789 68.789 71.877 -3.088 25931 2164 1 12 . 1 1 436 436 THR H H 436 7.890 7.890 7.543 0.347 25931 2165 1 12 . 1 1 437 437 GLU N N 437 121.040 121.040 120.300 0.740 25931 2166 1 12 . 1 1 437 437 GLU C C 437 176.085 176.085 176.948 -0.863 25931 2167 1 12 . 1 1 437 437 GLU CA C 437 56.271 56.271 57.884 -1.613 25931 2168 1 12 . 1 1 437 437 GLU CB C 437 27.760 27.760 30.312 -2.552 25931 2169 1 12 . 1 1 437 437 GLU H H 437 8.178 8.178 8.774 -0.596 25931 2170 1 12 . 1 1 438 438 SER N N 438 115.041 115.041 111.200 3.841 25931 2171 1 12 . 1 1 438 438 SER C C 438 174.622 174.622 174.638 -0.016 25931 2172 1 12 . 1 1 438 438 SER CA C 438 58.337 58.337 57.084 1.253 25931 2173 1 12 . 1 1 438 438 SER CB C 438 63.257 63.257 64.442 -1.185 25931 2174 1 12 . 1 1 438 438 SER H H 438 8.014 8.014 7.705 0.309 25931 2175 1 12 . 1 1 439 439 VAL N N 439 119.164 119.164 123.816 -4.652 25931 2176 1 12 . 1 1 439 439 VAL C C 439 175.866 175.866 175.847 0.019 25931 2177 1 12 . 1 1 439 439 VAL CA C 439 62.223 62.223 64.749 -2.526 25931 2178 1 12 . 1 1 439 439 VAL CB C 439 31.602 31.602 32.194 -0.592 25931 2179 1 12 . 1 1 439 439 VAL H H 439 7.867 7.867 8.655 -0.788 25931 2180 1 12 . 1 1 440 440 LEU N N 440 122.292 122.292 119.668 2.624 25931 2181 1 12 . 1 1 440 440 LEU CA C 440 54.619 54.619 52.592 2.027 25931 2182 1 12 . 1 1 440 440 LEU CB C 440 31.602 31.602 42.604 -11.002 25931 2183 1 12 . 1 1 440 440 LEU H H 440 7.951 7.951 7.615 0.336 25931 2184 1 12 . 1 1 442 442 MET C C 442 178.354 178.354 177.479 0.875 25931 2185 1 12 . 1 1 443 443 TRP N N 443 117.586 117.586 117.301 0.285 25931 2186 1 12 . 1 1 443 443 TRP CA C 443 59.593 59.593 59.213 0.380 25931 2187 1 12 . 1 1 443 443 TRP CB C 443 28.461 28.461 28.040 0.421 25931 2188 1 12 . 1 1 443 443 TRP H H 443 8.163 8.163 7.962 0.201 25931 2189 1 12 . 1 1 444 444 VAL C C 444 177.425 177.425 177.384 0.041 25931 2190 1 12 . 1 1 444 444 VAL CA C 444 65.850 65.850 64.183 1.667 25931 2191 1 12 . 1 1 445 445 LEU N N 445 119.396 119.396 120.817 -1.421 25931 2192 1 12 . 1 1 445 445 LEU C C 445 178.275 178.275 178.275 0.000 25931 2193 1 12 . 1 1 445 445 LEU CA C 445 57.792 57.792 57.736 0.056 25931 2194 1 12 . 1 1 445 445 LEU CB C 445 40.192 40.192 41.120 -0.928 25931 2195 1 12 . 1 1 445 445 LEU H H 445 7.598 7.598 7.187 0.411 25931 2196 1 12 . 1 1 446 446 ALA N N 446 119.287 119.287 121.660 -2.373 25931 2197 1 12 . 1 1 446 446 ALA C C 446 178.827 178.827 179.836 -1.009 25931 2198 1 12 . 1 1 446 446 ALA CA C 446 55.134 55.134 55.035 0.099 25931 2199 1 12 . 1 1 446 446 ALA CB C 446 17.032 17.032 18.206 -1.174 25931 2200 1 12 . 1 1 446 446 ALA H H 446 8.360 8.360 7.637 0.723 25931 2201 1 12 . 1 1 447 447 LEU N N 447 117.101 117.101 119.216 -2.115 25931 2202 1 12 . 1 1 447 447 LEU C C 447 178.564 178.564 179.134 -0.570 25931 2203 1 12 . 1 1 447 447 LEU CA C 447 57.818 57.818 57.816 0.002 25931 2204 1 12 . 1 1 447 447 LEU CB C 447 40.615 40.615 41.953 -1.338 25931 2205 1 12 . 1 1 447 447 LEU H H 447 7.906 7.906 7.726 0.180 25931 2206 1 12 . 1 1 448 448 ILE N N 448 118.874 118.874 119.643 -0.769 25931 2207 1 12 . 1 1 448 448 ILE C C 448 177.504 177.504 178.001 -0.497 25931 2208 1 12 . 1 1 448 448 ILE CA C 448 65.667 65.667 65.817 -0.149 25931 2209 1 12 . 1 1 448 448 ILE CB C 448 36.492 36.492 37.862 -1.370 25931 2210 1 12 . 1 1 448 448 ILE H H 448 8.206 8.206 7.466 0.740 25931 2211 1 12 . 1 1 449 449 VAL N N 449 118.932 118.932 120.266 -1.334 25931 2212 1 12 . 1 1 449 449 VAL C C 449 179.107 179.107 178.119 0.988 25931 2213 1 12 . 1 1 449 449 VAL CA C 449 66.917 66.917 67.075 -0.158 25931 2214 1 12 . 1 1 449 449 VAL CB C 449 30.226 30.226 31.644 -1.418 25931 2215 1 12 . 1 1 449 449 VAL H H 449 8.271 8.271 7.518 0.753 25931 2216 1 12 . 1 1 450 450 ILE N N 450 123.013 123.013 120.146 2.867 25931 2217 1 12 . 1 1 450 450 ILE C C 450 177.092 177.092 178.070 -0.978 25931 2218 1 12 . 1 1 450 450 ILE CA C 450 65.594 65.594 63.744 1.850 25931 2219 1 12 . 1 1 450 450 ILE CB C 450 36.594 36.594 36.576 0.018 25931 2220 1 12 . 1 1 450 450 ILE H H 450 8.603 8.603 7.574 1.029 25931 2221 1 12 . 1 1 451 451 PHE N N 451 119.352 119.352 119.338 0.014 25931 2222 1 12 . 1 1 451 451 PHE C C 451 177.408 177.408 178.260 -0.852 25931 2223 1 12 . 1 1 451 451 PHE CA C 451 61.389 61.389 62.416 -1.026 25931 2224 1 12 . 1 1 451 451 PHE CB C 451 37.970 37.970 38.087 -0.117 25931 2225 1 12 . 1 1 451 451 PHE H H 451 8.630 8.630 7.816 0.814 25931 2226 1 12 . 1 1 452 452 LEU N N 452 118.462 118.462 120.042 -1.580 25931 2227 1 12 . 1 1 452 452 LEU C C 452 177.959 177.959 178.599 -0.640 25931 2228 1 12 . 1 1 452 452 LEU CA C 452 57.606 57.606 58.215 -0.609 25931 2229 1 12 . 1 1 452 452 LEU CB C 452 40.924 40.924 41.662 -0.738 25931 2230 1 12 . 1 1 452 452 LEU H H 452 8.732 8.732 8.338 0.394 25931 2231 1 12 . 1 1 453 453 THR N N 453 116.076 116.076 117.132 -1.056 25931 2232 1 12 . 1 1 453 453 THR C C 453 176.199 176.199 176.986 -0.787 25931 2233 1 12 . 1 1 453 453 THR CA C 453 67.919 67.919 67.465 0.454 25931 2234 1 12 . 1 1 453 453 THR CB C 453 67.006 67.006 68.728 -1.722 25931 2235 1 12 . 1 1 453 453 THR H H 453 8.107 8.107 8.278 -0.171 25931 2236 1 12 . 1 1 454 454 ILE N N 454 120.174 120.174 120.977 -0.803 25931 2237 1 12 . 1 1 454 454 ILE C C 454 176.934 176.934 177.842 -0.908 25931 2238 1 12 . 1 1 454 454 ILE CA C 454 65.145 65.145 63.422 1.722 25931 2239 1 12 . 1 1 454 454 ILE CB C 454 36.595 36.595 36.737 -0.142 25931 2240 1 12 . 1 1 454 454 ILE H H 454 8.050 8.050 8.439 -0.389 25931 2241 1 12 . 1 1 455 455 ALA N N 455 121.197 121.197 123.054 -1.857 25931 2242 1 12 . 1 1 455 455 ALA C C 455 178.897 178.897 179.956 -1.059 25931 2243 1 12 . 1 1 455 455 ALA CA C 455 55.346 55.346 55.569 -0.223 25931 2244 1 12 . 1 1 455 455 ALA CB C 455 17.074 17.074 18.180 -1.106 25931 2245 1 12 . 1 1 455 455 ALA H H 455 8.255 8.255 8.108 0.147 25931 2246 1 12 . 1 1 456 456 VAL N N 456 116.760 116.760 119.335 -2.575 25931 2247 1 12 . 1 1 456 456 VAL C C 456 177.513 177.513 178.006 -0.493 25931 2248 1 12 . 1 1 456 456 VAL CA C 456 66.494 66.494 66.371 0.123 25931 2249 1 12 . 1 1 456 456 VAL CB C 456 30.226 30.226 31.467 -1.241 25931 2250 1 12 . 1 1 456 456 VAL H H 456 8.215 8.215 8.013 0.202 25931 2251 1 12 . 1 1 457 457 LEU N N 457 119.491 119.491 119.773 -0.282 25931 2252 1 12 . 1 1 457 457 LEU C C 457 179.589 179.589 179.177 0.412 25931 2253 1 12 . 1 1 457 457 LEU CA C 457 58.056 58.056 58.122 -0.066 25931 2254 1 12 . 1 1 457 457 LEU CB C 457 40.414 40.414 41.583 -1.169 25931 2255 1 12 . 1 1 457 457 LEU H H 457 8.157 8.157 7.638 0.519 25931 2256 1 12 . 1 1 458 458 LEU N N 458 118.534 118.534 119.058 -0.524 25931 2257 1 12 . 1 1 458 458 LEU C C 458 178.949 178.949 178.934 0.015 25931 2258 1 12 . 1 1 458 458 LEU CA C 458 57.395 57.395 57.878 -0.483 25931 2259 1 12 . 1 1 458 458 LEU CB C 458 40.615 40.615 41.402 -0.787 25931 2260 1 12 . 1 1 458 458 LEU H H 458 8.562 8.562 8.232 0.330 25931 2261 1 12 . 1 1 459 459 ALA N N 459 122.364 122.364 122.430 -0.066 25931 2262 1 12 . 1 1 459 459 ALA C C 459 179.842 179.842 179.710 0.132 25931 2263 1 12 . 1 1 459 459 ALA CA C 459 55.173 55.173 55.184 -0.011 25931 2264 1 12 . 1 1 459 459 ALA CB C 459 17.083 17.083 18.313 -1.230 25931 2265 1 12 . 1 1 459 459 ALA H H 459 8.403 8.403 8.263 0.140 25931 2266 1 12 . 1 1 460 460 LEU N N 460 118.056 118.056 119.453 -1.397 25931 2267 1 12 . 1 1 460 460 LEU C C 460 179.308 179.308 179.322 -0.014 25931 2268 1 12 . 1 1 460 460 LEU CA C 460 57.673 57.673 57.714 -0.041 25931 2269 1 12 . 1 1 460 460 LEU CB C 460 40.414 40.414 41.616 -1.202 25931 2270 1 12 . 1 1 460 460 LEU H H 460 8.530 8.530 7.942 0.588 25931 2271 1 12 . 1 1 461 461 ARG N N 461 119.570 119.570 119.230 0.340 25931 2272 1 12 . 1 1 461 461 ARG C C 461 178.608 178.608 178.319 0.289 25931 2273 1 12 . 1 1 461 461 ARG CA C 461 57.818 57.818 59.140 -1.322 25931 2274 1 12 . 1 1 461 461 ARG CB C 461 28.607 28.607 29.981 -1.374 25931 2275 1 12 . 1 1 461 461 ARG H H 461 8.051 8.051 7.660 0.391 25931 2276 1 12 . 1 1 462 462 PHE N N 462 118.758 118.758 120.825 -2.067 25931 2277 1 12 . 1 1 462 462 PHE C C 462 177.180 177.180 177.511 -0.331 25931 2278 1 12 . 1 1 462 462 PHE CA C 462 60.701 60.701 61.464 -0.763 25931 2279 1 12 . 1 1 462 462 PHE CB C 462 38.530 38.530 39.066 -0.536 25931 2280 1 12 . 1 1 462 462 PHE H H 462 8.463 8.463 8.137 0.326 25931 2281 1 12 . 1 1 463 463 CYS N N 463 116.550 116.550 117.046 -0.496 25931 2282 1 12 . 1 1 463 463 CYS C C 463 176.092 176.092 176.747 -0.655 25931 2283 1 12 . 1 1 463 463 CYS CA C 463 62.129 62.129 63.112 -0.983 25931 2284 1 12 . 1 1 463 463 CYS CB C 463 26.966 26.966 27.247 -0.281 25931 2285 1 12 . 1 1 463 463 CYS H H 463 8.317 8.317 8.796 -0.479 25931 2286 1 12 . 1 1 464 464 GLY N N 464 107.731 107.731 109.763 -2.032 25931 2287 1 12 . 1 1 464 464 GLY C C 464 174.972 174.972 175.648 -0.676 25931 2288 1 12 . 1 1 464 464 GLY CA C 464 46.074 46.074 46.882 -0.807 25931 2289 1 12 . 1 1 464 464 GLY H H 464 8.079 8.079 8.029 0.050 25931 2290 1 12 . 1 1 465 465 ILE N N 465 120.035 120.035 121.627 -1.592 25931 2291 1 12 . 1 1 465 465 ILE C C 465 176.563 176.563 177.360 -0.797 25931 2292 1 12 . 1 1 465 465 ILE CA C 465 62.500 62.500 64.509 -2.009 25931 2293 1 12 . 1 1 465 465 ILE CB C 465 37.409 37.409 38.019 -0.610 25931 2294 1 12 . 1 1 465 465 ILE H H 465 7.771 7.771 7.445 0.326 25931 2295 1 12 . 1 1 466 466 TYR N N 466 118.754 118.754 116.772 1.982 25931 2296 1 12 . 1 1 466 466 TYR C C 466 176.313 176.313 177.149 -0.836 25931 2297 1 12 . 1 1 466 466 TYR CA C 466 58.506 58.506 59.659 -1.153 25931 2298 1 12 . 1 1 466 466 TYR CB C 466 37.917 37.917 38.668 -0.751 25931 2299 1 12 . 1 1 466 466 TYR H H 466 7.830 7.830 7.427 0.403 25931 2300 1 12 . 1 1 467 467 GLY N N 467 108.001 108.001 104.425 3.576 25931 2301 1 12 . 1 1 467 467 GLY C C 467 174.271 174.271 173.769 0.502 25931 2302 1 12 . 1 1 467 467 GLY CA C 467 45.624 45.624 45.102 0.522 25931 2303 1 12 . 1 1 467 467 GLY H H 467 7.912 7.912 7.666 0.246 25931 2304 1 12 . 1 1 468 468 TYR N N 468 119.906 119.906 117.280 2.626 25931 2305 1 12 . 1 1 468 468 TYR C C 468 175.743 175.743 176.505 -0.762 25931 2306 1 12 . 1 1 468 468 TYR CA C 468 58.268 58.268 59.659 -1.391 25931 2307 1 12 . 1 1 468 468 TYR CB C 468 37.613 37.613 37.626 -0.013 25931 2308 1 12 . 1 1 468 468 TYR H H 468 7.891 7.891 7.964 -0.073 25931 2309 1 12 . 1 1 469 469 ARG N N 469 120.994 120.994 119.351 1.643 25931 2310 1 12 . 1 1 469 469 ARG C C 469 175.945 175.945 177.262 -1.317 25931 2311 1 12 . 1 1 469 469 ARG CA C 469 55.536 55.536 58.537 -3.001 25931 2312 1 12 . 1 1 469 469 ARG CB C 469 30.035 30.035 30.032 0.003 25931 2313 1 12 . 1 1 469 469 ARG H H 469 7.868 7.868 8.629 -0.761 25931 2314 1 12 . 1 1 470 470 LEU N N 470 121.404 121.404 117.546 3.858 25931 2315 1 12 . 1 1 470 470 LEU C C 470 176.689 176.689 177.365 -0.676 25931 2316 1 12 . 1 1 470 470 LEU CA C 470 54.908 54.908 56.665 -1.757 25931 2317 1 12 . 1 1 470 470 LEU CB C 470 41.077 41.077 42.371 -1.294 25931 2318 1 12 . 1 1 470 470 LEU H H 470 7.906 7.906 7.931 -0.025 25931 2319 1 12 . 1 1 471 471 ARG N N 471 120.513 120.513 116.676 3.837 25931 2320 1 12 . 1 1 471 471 ARG C C 471 175.778 175.778 174.956 0.822 25931 2321 1 12 . 1 1 471 471 ARG CA C 471 55.358 55.358 55.101 0.257 25931 2322 1 12 . 1 1 471 471 ARG CB C 471 29.982 29.982 32.063 -2.081 25931 2323 1 12 . 1 1 471 471 ARG H H 471 7.902 7.902 7.895 0.007 25931 2324 1 12 . 1 1 472 472 ARG N N 472 122.770 122.770 121.672 1.098 25931 2325 1 12 . 1 1 472 472 ARG C C 472 175.428 175.428 176.153 -0.725 25931 2326 1 12 . 1 1 472 472 ARG CA C 472 55.596 55.596 59.110 -3.514 25931 2327 1 12 . 1 1 472 472 ARG CB C 472 29.982 29.982 30.892 -0.909 25931 2328 1 12 . 1 1 472 472 ARG H H 472 8.220 8.220 8.610 -0.390 25931 2329 1 13 . 1 1 431 431 LYS N N 431 121.472 121.472 121.540 -0.068 25931 2330 1 13 . 1 1 431 431 LYS C C 431 176.470 176.470 176.509 -0.039 25931 2331 1 13 . 1 1 431 431 LYS CA C 431 56.046 56.046 55.652 0.394 25931 2332 1 13 . 1 1 431 431 LYS CB C 431 32.213 32.213 33.749 -1.536 25931 2333 1 13 . 1 1 431 431 LYS H H 431 8.503 8.503 7.699 0.804 25931 2334 1 13 . 1 1 432 432 ARG N N 432 122.845 122.845 121.072 1.773 25931 2335 1 13 . 1 1 432 432 ARG C C 432 176.155 176.155 176.028 0.127 25931 2336 1 13 . 1 1 432 432 ARG CA C 432 55.385 55.385 57.276 -1.891 25931 2337 1 13 . 1 1 432 432 ARG CB C 432 29.615 29.615 30.794 -1.179 25931 2338 1 13 . 1 1 432 432 ARG H H 432 8.403 8.403 8.496 -0.093 25931 2339 1 13 . 1 1 433 433 SER N N 433 117.709 117.709 111.469 6.240 25931 2340 1 13 . 1 1 433 433 SER C C 433 174.350 174.350 174.372 -0.022 25931 2341 1 13 . 1 1 433 433 SER CA C 433 57.970 57.970 57.146 0.824 25931 2342 1 13 . 1 1 433 433 SER CB C 433 63.389 63.389 64.310 -0.921 25931 2343 1 13 . 1 1 433 433 SER H H 433 8.219 8.219 7.587 0.632 25931 2344 1 13 . 1 1 434 434 TRP N N 434 122.436 122.436 123.626 -1.190 25931 2345 1 13 . 1 1 434 434 TRP C C 434 175.682 175.682 176.459 -0.777 25931 2346 1 13 . 1 1 434 434 TRP CA C 434 56.945 56.945 58.527 -1.582 25931 2347 1 13 . 1 1 434 434 TRP CB C 434 28.749 28.749 29.720 -0.971 25931 2348 1 13 . 1 1 434 434 TRP H H 434 8.143 8.143 8.429 -0.286 25931 2349 1 13 . 1 1 435 435 ASP N N 435 119.681 119.681 118.638 1.043 25931 2350 1 13 . 1 1 435 435 ASP C C 435 175.734 175.734 175.989 -0.255 25931 2351 1 13 . 1 1 435 435 ASP CA C 435 53.097 53.097 53.542 -0.445 25931 2352 1 13 . 1 1 435 435 ASP CB C 435 38.446 38.446 41.377 -2.931 25931 2353 1 13 . 1 1 435 435 ASP H H 435 8.107 8.107 7.958 0.149 25931 2354 1 13 . 1 1 436 436 THR N N 436 113.878 113.878 119.975 -6.097 25931 2355 1 13 . 1 1 436 436 THR C C 436 174.841 174.841 174.702 0.139 25931 2356 1 13 . 1 1 436 436 THR CA C 436 62.342 62.342 63.247 -0.905 25931 2357 1 13 . 1 1 436 436 THR CB C 436 68.789 68.789 69.585 -0.796 25931 2358 1 13 . 1 1 436 436 THR H H 436 7.890 7.890 8.291 -0.401 25931 2359 1 13 . 1 1 437 437 GLU N N 437 121.040 121.040 125.015 -3.975 25931 2360 1 13 . 1 1 437 437 GLU C C 437 176.085 176.085 176.765 -0.680 25931 2361 1 13 . 1 1 437 437 GLU CA C 437 56.271 56.271 56.708 -0.437 25931 2362 1 13 . 1 1 437 437 GLU CB C 437 27.760 27.760 30.275 -2.515 25931 2363 1 13 . 1 1 437 437 GLU H H 437 8.178 8.178 8.417 -0.239 25931 2364 1 13 . 1 1 438 438 SER N N 438 115.041 115.041 118.455 -3.414 25931 2365 1 13 . 1 1 438 438 SER C C 438 174.622 174.622 174.807 -0.185 25931 2366 1 13 . 1 1 438 438 SER CA C 438 58.337 58.337 57.785 0.552 25931 2367 1 13 . 1 1 438 438 SER CB C 438 63.257 63.257 64.216 -0.959 25931 2368 1 13 . 1 1 438 438 SER H H 438 8.014 8.014 8.287 -0.273 25931 2369 1 13 . 1 1 439 439 VAL N N 439 119.164 119.164 120.326 -1.162 25931 2370 1 13 . 1 1 439 439 VAL C C 439 175.866 175.866 176.405 -0.539 25931 2371 1 13 . 1 1 439 439 VAL CA C 439 62.223 62.223 64.020 -1.798 25931 2372 1 13 . 1 1 439 439 VAL CB C 439 31.602 31.602 31.786 -0.184 25931 2373 1 13 . 1 1 439 439 VAL H H 439 7.867 7.867 8.432 -0.565 25931 2374 1 13 . 1 1 440 440 LEU N N 440 122.292 122.292 121.539 0.753 25931 2375 1 13 . 1 1 440 440 LEU CA C 440 54.619 54.619 51.862 2.757 25931 2376 1 13 . 1 1 440 440 LEU CB C 440 31.602 31.602 42.620 -11.018 25931 2377 1 13 . 1 1 440 440 LEU H H 440 7.951 7.951 7.787 0.164 25931 2378 1 13 . 1 1 442 442 MET C C 442 178.354 178.354 177.925 0.429 25931 2379 1 13 . 1 1 443 443 TRP N N 443 117.586 117.586 120.567 -2.981 25931 2380 1 13 . 1 1 443 443 TRP CA C 443 59.593 59.593 59.900 -0.307 25931 2381 1 13 . 1 1 443 443 TRP CB C 443 28.461 28.461 28.235 0.226 25931 2382 1 13 . 1 1 443 443 TRP H H 443 8.163 8.163 8.449 -0.286 25931 2383 1 13 . 1 1 444 444 VAL C C 444 177.425 177.425 177.270 0.155 25931 2384 1 13 . 1 1 444 444 VAL CA C 444 65.850 65.850 64.034 1.816 25931 2385 1 13 . 1 1 445 445 LEU N N 445 119.396 119.396 119.597 -0.201 25931 2386 1 13 . 1 1 445 445 LEU C C 445 178.275 178.275 178.598 -0.323 25931 2387 1 13 . 1 1 445 445 LEU CA C 445 57.792 57.792 57.798 -0.006 25931 2388 1 13 . 1 1 445 445 LEU CB C 445 40.192 40.192 41.055 -0.863 25931 2389 1 13 . 1 1 445 445 LEU H H 445 7.598 7.598 7.452 0.146 25931 2390 1 13 . 1 1 446 446 ALA N N 446 119.287 119.287 122.123 -2.836 25931 2391 1 13 . 1 1 446 446 ALA C C 446 178.827 178.827 179.667 -0.840 25931 2392 1 13 . 1 1 446 446 ALA CA C 446 55.134 55.134 55.129 0.005 25931 2393 1 13 . 1 1 446 446 ALA CB C 446 17.032 17.032 18.254 -1.222 25931 2394 1 13 . 1 1 446 446 ALA H H 446 8.360 8.360 7.782 0.578 25931 2395 1 13 . 1 1 447 447 LEU N N 447 117.101 117.101 119.361 -2.260 25931 2396 1 13 . 1 1 447 447 LEU C C 447 178.564 178.564 178.982 -0.418 25931 2397 1 13 . 1 1 447 447 LEU CA C 447 57.818 57.818 58.099 -0.281 25931 2398 1 13 . 1 1 447 447 LEU CB C 447 40.615 40.615 41.849 -1.234 25931 2399 1 13 . 1 1 447 447 LEU H H 447 7.906 7.906 7.499 0.407 25931 2400 1 13 . 1 1 448 448 ILE N N 448 118.874 118.874 119.351 -0.477 25931 2401 1 13 . 1 1 448 448 ILE C C 448 177.504 177.504 178.054 -0.550 25931 2402 1 13 . 1 1 448 448 ILE CA C 448 65.667 65.667 65.628 0.039 25931 2403 1 13 . 1 1 448 448 ILE CB C 448 36.492 36.492 37.720 -1.228 25931 2404 1 13 . 1 1 448 448 ILE H H 448 8.206 8.206 7.521 0.685 25931 2405 1 13 . 1 1 449 449 VAL N N 449 118.932 118.932 118.349 0.583 25931 2406 1 13 . 1 1 449 449 VAL C C 449 179.107 179.107 178.041 1.066 25931 2407 1 13 . 1 1 449 449 VAL CA C 449 66.917 66.917 66.322 0.595 25931 2408 1 13 . 1 1 449 449 VAL CB C 449 30.226 30.226 30.819 -0.593 25931 2409 1 13 . 1 1 449 449 VAL H H 449 8.271 8.271 7.639 0.632 25931 2410 1 13 . 1 1 450 450 ILE N N 450 123.013 123.013 121.635 1.378 25931 2411 1 13 . 1 1 450 450 ILE C C 450 177.092 177.092 178.193 -1.101 25931 2412 1 13 . 1 1 450 450 ILE CA C 450 65.594 65.594 63.641 1.953 25931 2413 1 13 . 1 1 450 450 ILE CB C 450 36.594 36.594 36.216 0.378 25931 2414 1 13 . 1 1 450 450 ILE H H 450 8.603 8.603 7.462 1.141 25931 2415 1 13 . 1 1 451 451 PHE N N 451 119.352 119.352 119.260 0.092 25931 2416 1 13 . 1 1 451 451 PHE C C 451 177.408 177.408 178.278 -0.870 25931 2417 1 13 . 1 1 451 451 PHE CA C 451 61.389 61.389 62.437 -1.048 25931 2418 1 13 . 1 1 451 451 PHE CB C 451 37.970 37.970 38.076 -0.106 25931 2419 1 13 . 1 1 451 451 PHE H H 451 8.630 8.630 7.766 0.864 25931 2420 1 13 . 1 1 452 452 LEU N N 452 118.462 118.462 119.580 -1.118 25931 2421 1 13 . 1 1 452 452 LEU C C 452 177.959 177.959 178.588 -0.629 25931 2422 1 13 . 1 1 452 452 LEU CA C 452 57.606 57.606 58.217 -0.611 25931 2423 1 13 . 1 1 452 452 LEU CB C 452 40.924 40.924 41.568 -0.644 25931 2424 1 13 . 1 1 452 452 LEU H H 452 8.732 8.732 7.890 0.842 25931 2425 1 13 . 1 1 453 453 THR N N 453 116.076 116.076 116.990 -0.914 25931 2426 1 13 . 1 1 453 453 THR C C 453 176.199 176.199 177.038 -0.839 25931 2427 1 13 . 1 1 453 453 THR CA C 453 67.919 67.919 67.071 0.848 25931 2428 1 13 . 1 1 453 453 THR CB C 453 67.006 67.006 68.265 -1.259 25931 2429 1 13 . 1 1 453 453 THR H H 453 8.107 8.107 7.951 0.156 25931 2430 1 13 . 1 1 454 454 ILE N N 454 120.174 120.174 121.127 -0.953 25931 2431 1 13 . 1 1 454 454 ILE C C 454 176.934 176.934 177.462 -0.528 25931 2432 1 13 . 1 1 454 454 ILE CA C 454 65.145 65.145 65.495 -0.350 25931 2433 1 13 . 1 1 454 454 ILE CB C 454 36.595 36.595 37.523 -0.928 25931 2434 1 13 . 1 1 454 454 ILE H H 454 8.050 8.050 8.200 -0.150 25931 2435 1 13 . 1 1 455 455 ALA N N 455 121.197 121.197 122.864 -1.667 25931 2436 1 13 . 1 1 455 455 ALA C C 455 178.897 178.897 179.681 -0.784 25931 2437 1 13 . 1 1 455 455 ALA CA C 455 55.346 55.346 55.536 -0.190 25931 2438 1 13 . 1 1 455 455 ALA CB C 455 17.074 17.074 18.146 -1.072 25931 2439 1 13 . 1 1 455 455 ALA H H 455 8.255 8.255 7.946 0.309 25931 2440 1 13 . 1 1 456 456 VAL N N 456 116.760 116.760 119.272 -2.512 25931 2441 1 13 . 1 1 456 456 VAL C C 456 177.513 177.513 178.001 -0.488 25931 2442 1 13 . 1 1 456 456 VAL CA C 456 66.494 66.494 66.332 0.162 25931 2443 1 13 . 1 1 456 456 VAL CB C 456 30.226 30.226 31.445 -1.219 25931 2444 1 13 . 1 1 456 456 VAL H H 456 8.215 8.215 7.909 0.306 25931 2445 1 13 . 1 1 457 457 LEU N N 457 119.491 119.491 119.768 -0.277 25931 2446 1 13 . 1 1 457 457 LEU C C 457 179.589 179.589 179.187 0.402 25931 2447 1 13 . 1 1 457 457 LEU CA C 457 58.056 58.056 58.122 -0.066 25931 2448 1 13 . 1 1 457 457 LEU CB C 457 40.414 40.414 41.573 -1.159 25931 2449 1 13 . 1 1 457 457 LEU H H 457 8.157 8.157 7.669 0.488 25931 2450 1 13 . 1 1 458 458 LEU N N 458 118.534 118.534 119.053 -0.519 25931 2451 1 13 . 1 1 458 458 LEU C C 458 178.949 178.949 178.945 0.004 25931 2452 1 13 . 1 1 458 458 LEU CA C 458 57.395 57.395 57.874 -0.479 25931 2453 1 13 . 1 1 458 458 LEU CB C 458 40.615 40.615 41.399 -0.784 25931 2454 1 13 . 1 1 458 458 LEU H H 458 8.562 8.562 8.310 0.252 25931 2455 1 13 . 1 1 459 459 ALA N N 459 122.364 122.364 122.581 -0.217 25931 2456 1 13 . 1 1 459 459 ALA C C 459 179.842 179.842 179.781 0.061 25931 2457 1 13 . 1 1 459 459 ALA CA C 459 55.173 55.173 55.357 -0.184 25931 2458 1 13 . 1 1 459 459 ALA CB C 459 17.083 17.083 18.146 -1.063 25931 2459 1 13 . 1 1 459 459 ALA H H 459 8.403 8.403 8.336 0.067 25931 2460 1 13 . 1 1 460 460 LEU N N 460 118.056 118.056 119.751 -1.695 25931 2461 1 13 . 1 1 460 460 LEU C C 460 179.308 179.308 179.537 -0.229 25931 2462 1 13 . 1 1 460 460 LEU CA C 460 57.673 57.673 57.467 0.206 25931 2463 1 13 . 1 1 460 460 LEU CB C 460 40.414 40.414 41.589 -1.175 25931 2464 1 13 . 1 1 460 460 LEU H H 460 8.530 8.530 7.970 0.560 25931 2465 1 13 . 1 1 461 461 ARG N N 461 119.570 119.570 119.197 0.373 25931 2466 1 13 . 1 1 461 461 ARG C C 461 178.608 178.608 178.335 0.273 25931 2467 1 13 . 1 1 461 461 ARG CA C 461 57.818 57.818 58.972 -1.154 25931 2468 1 13 . 1 1 461 461 ARG CB C 461 28.607 28.607 29.980 -1.373 25931 2469 1 13 . 1 1 461 461 ARG H H 461 8.051 8.051 7.682 0.369 25931 2470 1 13 . 1 1 462 462 PHE N N 462 118.758 118.758 121.358 -2.600 25931 2471 1 13 . 1 1 462 462 PHE C C 462 177.180 177.180 177.750 -0.570 25931 2472 1 13 . 1 1 462 462 PHE CA C 462 60.701 60.701 61.409 -0.708 25931 2473 1 13 . 1 1 462 462 PHE CB C 462 38.530 38.530 39.381 -0.851 25931 2474 1 13 . 1 1 462 462 PHE H H 462 8.463 8.463 8.555 -0.092 25931 2475 1 13 . 1 1 463 463 CYS N N 463 116.550 116.550 117.072 -0.522 25931 2476 1 13 . 1 1 463 463 CYS C C 463 176.092 176.092 177.484 -1.392 25931 2477 1 13 . 1 1 463 463 CYS CA C 463 62.129 62.129 60.808 1.321 25931 2478 1 13 . 1 1 463 463 CYS CB C 463 26.966 26.966 27.983 -1.017 25931 2479 1 13 . 1 1 463 463 CYS H H 463 8.317 8.317 9.136 -0.819 25931 2480 1 13 . 1 1 464 464 GLY N N 464 107.731 107.731 110.680 -2.949 25931 2481 1 13 . 1 1 464 464 GLY C C 464 174.972 174.972 175.989 -1.017 25931 2482 1 13 . 1 1 464 464 GLY CA C 464 46.074 46.074 46.858 -0.784 25931 2483 1 13 . 1 1 464 464 GLY H H 464 8.079 8.079 8.220 -0.141 25931 2484 1 13 . 1 1 465 465 ILE N N 465 120.035 120.035 120.715 -0.680 25931 2485 1 13 . 1 1 465 465 ILE C C 465 176.563 176.563 176.807 -0.244 25931 2486 1 13 . 1 1 465 465 ILE CA C 465 62.500 62.500 63.617 -1.117 25931 2487 1 13 . 1 1 465 465 ILE CB C 465 37.409 37.409 38.329 -0.920 25931 2488 1 13 . 1 1 465 465 ILE H H 465 7.771 7.771 7.623 0.148 25931 2489 1 13 . 1 1 466 466 TYR N N 466 118.754 118.754 117.281 1.473 25931 2490 1 13 . 1 1 466 466 TYR C C 466 176.313 176.313 176.176 0.137 25931 2491 1 13 . 1 1 466 466 TYR CA C 466 58.506 58.506 59.655 -1.149 25931 2492 1 13 . 1 1 466 466 TYR CB C 466 37.917 37.917 38.812 -0.895 25931 2493 1 13 . 1 1 466 466 TYR H H 466 7.830 7.830 7.501 0.329 25931 2494 1 13 . 1 1 467 467 GLY N N 467 108.001 108.001 106.047 1.954 25931 2495 1 13 . 1 1 467 467 GLY C C 467 174.271 174.271 174.462 -0.191 25931 2496 1 13 . 1 1 467 467 GLY CA C 467 45.624 45.624 45.128 0.496 25931 2497 1 13 . 1 1 467 467 GLY H H 467 7.912 7.912 7.830 0.082 25931 2498 1 13 . 1 1 468 468 TYR N N 468 119.906 119.906 118.857 1.049 25931 2499 1 13 . 1 1 468 468 TYR C C 468 175.743 175.743 174.457 1.286 25931 2500 1 13 . 1 1 468 468 TYR CA C 468 58.268 58.268 58.823 -0.555 25931 2501 1 13 . 1 1 468 468 TYR CB C 468 37.613 37.613 38.987 -1.374 25931 2502 1 13 . 1 1 468 468 TYR H H 468 7.891 7.891 7.959 -0.068 25931 2503 1 13 . 1 1 469 469 ARG N N 469 120.994 120.994 125.790 -4.796 25931 2504 1 13 . 1 1 469 469 ARG C C 469 175.945 175.945 175.176 0.769 25931 2505 1 13 . 1 1 469 469 ARG CA C 469 55.536 55.536 54.871 0.665 25931 2506 1 13 . 1 1 469 469 ARG CB C 469 30.035 30.035 30.786 -0.751 25931 2507 1 13 . 1 1 469 469 ARG H H 469 7.868 7.868 7.997 -0.129 25931 2508 1 13 . 1 1 470 470 LEU N N 470 121.404 121.404 122.602 -1.198 25931 2509 1 13 . 1 1 470 470 LEU C C 470 176.689 176.689 177.721 -1.032 25931 2510 1 13 . 1 1 470 470 LEU CA C 470 54.908 54.908 55.223 -0.315 25931 2511 1 13 . 1 1 470 470 LEU CB C 470 41.077 41.077 42.449 -1.372 25931 2512 1 13 . 1 1 470 470 LEU H H 470 7.906 7.906 8.383 -0.477 25931 2513 1 13 . 1 1 471 471 ARG N N 471 120.513 120.513 123.279 -2.766 25931 2514 1 13 . 1 1 471 471 ARG C C 471 175.778 175.778 177.868 -2.090 25931 2515 1 13 . 1 1 471 471 ARG CA C 471 55.358 55.358 58.428 -3.070 25931 2516 1 13 . 1 1 471 471 ARG CB C 471 29.982 29.982 30.254 -0.272 25931 2517 1 13 . 1 1 471 471 ARG H H 471 7.902 7.902 8.683 -0.781 25931 2518 1 13 . 1 1 472 472 ARG N N 472 122.770 122.770 120.034 2.736 25931 2519 1 13 . 1 1 472 472 ARG C C 472 175.428 175.428 177.137 -1.709 25931 2520 1 13 . 1 1 472 472 ARG CA C 472 55.596 55.596 57.808 -2.212 25931 2521 1 13 . 1 1 472 472 ARG CB C 472 29.982 29.982 30.003 -0.021 25931 2522 1 13 . 1 1 472 472 ARG H H 472 8.220 8.220 8.176 0.044 25931 2523 1 14 . 1 1 431 431 LYS N N 431 121.472 121.472 120.406 1.066 25931 2524 1 14 . 1 1 431 431 LYS C C 431 176.470 176.470 176.287 0.183 25931 2525 1 14 . 1 1 431 431 LYS CA C 431 56.046 56.046 57.181 -1.135 25931 2526 1 14 . 1 1 431 431 LYS CB C 431 32.213 32.213 32.689 -0.476 25931 2527 1 14 . 1 1 431 431 LYS H H 431 8.503 8.503 8.363 0.140 25931 2528 1 14 . 1 1 432 432 ARG N N 432 122.845 122.845 120.397 2.448 25931 2529 1 14 . 1 1 432 432 ARG C C 432 176.155 176.155 176.280 -0.125 25931 2530 1 14 . 1 1 432 432 ARG CA C 432 55.385 55.385 55.913 -0.527 25931 2531 1 14 . 1 1 432 432 ARG CB C 432 29.615 29.615 31.089 -1.474 25931 2532 1 14 . 1 1 432 432 ARG H H 432 8.403 8.403 8.066 0.337 25931 2533 1 14 . 1 1 433 433 SER N N 433 117.709 117.709 117.864 -0.155 25931 2534 1 14 . 1 1 433 433 SER C C 433 174.350 174.350 174.005 0.345 25931 2535 1 14 . 1 1 433 433 SER CA C 433 57.970 57.970 59.480 -1.510 25931 2536 1 14 . 1 1 433 433 SER CB C 433 63.389 63.389 62.928 0.461 25931 2537 1 14 . 1 1 433 433 SER H H 433 8.219 8.219 8.294 -0.075 25931 2538 1 14 . 1 1 434 434 TRP N N 434 122.436 122.436 121.342 1.094 25931 2539 1 14 . 1 1 434 434 TRP C C 434 175.682 175.682 174.734 0.948 25931 2540 1 14 . 1 1 434 434 TRP CA C 434 56.945 56.945 56.119 0.826 25931 2541 1 14 . 1 1 434 434 TRP CB C 434 28.749 28.749 31.108 -2.360 25931 2542 1 14 . 1 1 434 434 TRP H H 434 8.143 8.143 7.349 0.794 25931 2543 1 14 . 1 1 435 435 ASP N N 435 119.681 119.681 121.815 -2.134 25931 2544 1 14 . 1 1 435 435 ASP C C 435 175.734 175.734 175.879 -0.145 25931 2545 1 14 . 1 1 435 435 ASP CA C 435 53.097 53.097 53.832 -0.735 25931 2546 1 14 . 1 1 435 435 ASP CB C 435 38.446 38.446 41.112 -2.666 25931 2547 1 14 . 1 1 435 435 ASP H H 435 8.107 8.107 8.074 0.033 25931 2548 1 14 . 1 1 436 436 THR N N 436 113.878 113.878 114.880 -1.002 25931 2549 1 14 . 1 1 436 436 THR C C 436 174.841 174.841 175.313 -0.472 25931 2550 1 14 . 1 1 436 436 THR CA C 436 62.342 62.342 61.943 0.399 25931 2551 1 14 . 1 1 436 436 THR CB C 436 68.789 68.789 69.768 -0.979 25931 2552 1 14 . 1 1 436 436 THR H H 436 7.890 7.890 8.084 -0.194 25931 2553 1 14 . 1 1 437 437 GLU N N 437 121.040 121.040 120.191 0.849 25931 2554 1 14 . 1 1 437 437 GLU C C 437 176.085 176.085 176.866 -0.781 25931 2555 1 14 . 1 1 437 437 GLU CA C 437 56.271 56.271 57.149 -0.878 25931 2556 1 14 . 1 1 437 437 GLU CB C 437 27.760 27.760 29.359 -1.599 25931 2557 1 14 . 1 1 437 437 GLU H H 437 8.178 8.178 8.082 0.096 25931 2558 1 14 . 1 1 438 438 SER N N 438 115.041 115.041 115.087 -0.046 25931 2559 1 14 . 1 1 438 438 SER C C 438 174.622 174.622 175.893 -1.271 25931 2560 1 14 . 1 1 438 438 SER CA C 438 58.337 58.337 57.275 1.062 25931 2561 1 14 . 1 1 438 438 SER CB C 438 63.257 63.257 64.033 -0.776 25931 2562 1 14 . 1 1 438 438 SER H H 438 8.014 8.014 7.676 0.338 25931 2563 1 14 . 1 1 439 439 VAL N N 439 119.164 119.164 122.118 -2.954 25931 2564 1 14 . 1 1 439 439 VAL C C 439 175.866 175.866 175.856 0.010 25931 2565 1 14 . 1 1 439 439 VAL CA C 439 62.223 62.223 64.424 -2.201 25931 2566 1 14 . 1 1 439 439 VAL CB C 439 31.602 31.602 31.831 -0.229 25931 2567 1 14 . 1 1 439 439 VAL H H 439 7.867 7.867 8.351 -0.484 25931 2568 1 14 . 1 1 440 440 LEU N N 440 122.292 122.292 121.065 1.227 25931 2569 1 14 . 1 1 440 440 LEU CA C 440 54.619 54.619 52.174 2.445 25931 2570 1 14 . 1 1 440 440 LEU CB C 440 31.602 31.602 42.900 -11.298 25931 2571 1 14 . 1 1 440 440 LEU H H 440 7.951 7.951 7.604 0.347 25931 2572 1 14 . 1 1 442 442 MET C C 442 178.354 178.354 177.938 0.416 25931 2573 1 14 . 1 1 443 443 TRP N N 443 117.586 117.586 119.707 -2.121 25931 2574 1 14 . 1 1 443 443 TRP CA C 443 59.593 59.593 58.986 0.607 25931 2575 1 14 . 1 1 443 443 TRP CB C 443 28.461 28.461 27.996 0.465 25931 2576 1 14 . 1 1 443 443 TRP H H 443 8.163 8.163 7.392 0.771 25931 2577 1 14 . 1 1 444 444 VAL C C 444 177.425 177.425 177.487 -0.062 25931 2578 1 14 . 1 1 444 444 VAL CA C 444 65.850 65.850 65.234 0.616 25931 2579 1 14 . 1 1 445 445 LEU N N 445 119.396 119.396 119.807 -0.411 25931 2580 1 14 . 1 1 445 445 LEU C C 445 178.275 178.275 179.062 -0.787 25931 2581 1 14 . 1 1 445 445 LEU CA C 445 57.792 57.792 57.768 0.024 25931 2582 1 14 . 1 1 445 445 LEU CB C 445 40.192 40.192 40.505 -0.313 25931 2583 1 14 . 1 1 445 445 LEU H H 445 7.598 7.598 7.016 0.582 25931 2584 1 14 . 1 1 446 446 ALA N N 446 119.287 119.287 121.907 -2.620 25931 2585 1 14 . 1 1 446 446 ALA C C 446 178.827 178.827 179.989 -1.162 25931 2586 1 14 . 1 1 446 446 ALA CA C 446 55.134 55.134 55.085 0.049 25931 2587 1 14 . 1 1 446 446 ALA CB C 446 17.032 17.032 18.259 -1.227 25931 2588 1 14 . 1 1 446 446 ALA H H 446 8.360 8.360 7.722 0.638 25931 2589 1 14 . 1 1 447 447 LEU N N 447 117.101 117.101 119.463 -2.362 25931 2590 1 14 . 1 1 447 447 LEU C C 447 178.564 178.564 179.114 -0.550 25931 2591 1 14 . 1 1 447 447 LEU CA C 447 57.818 57.818 57.895 -0.077 25931 2592 1 14 . 1 1 447 447 LEU CB C 447 40.615 40.615 42.030 -1.415 25931 2593 1 14 . 1 1 447 447 LEU H H 447 7.906 7.906 7.553 0.353 25931 2594 1 14 . 1 1 448 448 ILE N N 448 118.874 118.874 119.523 -0.649 25931 2595 1 14 . 1 1 448 448 ILE C C 448 177.504 177.504 178.113 -0.609 25931 2596 1 14 . 1 1 448 448 ILE CA C 448 65.667 65.667 65.614 0.053 25931 2597 1 14 . 1 1 448 448 ILE CB C 448 36.492 36.492 37.705 -1.213 25931 2598 1 14 . 1 1 448 448 ILE H H 448 8.206 8.206 7.604 0.602 25931 2599 1 14 . 1 1 449 449 VAL N N 449 118.932 118.932 120.157 -1.225 25931 2600 1 14 . 1 1 449 449 VAL C C 449 179.107 179.107 178.092 1.015 25931 2601 1 14 . 1 1 449 449 VAL CA C 449 66.917 66.917 66.781 0.136 25931 2602 1 14 . 1 1 449 449 VAL CB C 449 30.226 30.226 31.104 -0.878 25931 2603 1 14 . 1 1 449 449 VAL H H 449 8.271 8.271 7.586 0.685 25931 2604 1 14 . 1 1 450 450 ILE N N 450 123.013 123.013 120.384 2.629 25931 2605 1 14 . 1 1 450 450 ILE C C 450 177.092 177.092 178.113 -1.021 25931 2606 1 14 . 1 1 450 450 ILE CA C 450 65.594 65.594 63.809 1.785 25931 2607 1 14 . 1 1 450 450 ILE CB C 450 36.594 36.594 36.484 0.110 25931 2608 1 14 . 1 1 450 450 ILE H H 450 8.603 8.603 7.510 1.093 25931 2609 1 14 . 1 1 451 451 PHE N N 451 119.352 119.352 119.323 0.029 25931 2610 1 14 . 1 1 451 451 PHE C C 451 177.408 177.408 178.313 -0.905 25931 2611 1 14 . 1 1 451 451 PHE CA C 451 61.389 61.389 62.768 -1.379 25931 2612 1 14 . 1 1 451 451 PHE CB C 451 37.970 37.970 38.072 -0.101 25931 2613 1 14 . 1 1 451 451 PHE H H 451 8.630 8.630 7.803 0.827 25931 2614 1 14 . 1 1 452 452 LEU N N 452 118.462 118.462 119.300 -0.838 25931 2615 1 14 . 1 1 452 452 LEU C C 452 177.959 177.959 179.088 -1.129 25931 2616 1 14 . 1 1 452 452 LEU CA C 452 57.606 57.606 58.164 -0.558 25931 2617 1 14 . 1 1 452 452 LEU CB C 452 40.924 40.924 41.467 -0.543 25931 2618 1 14 . 1 1 452 452 LEU H H 452 8.732 8.732 8.439 0.293 25931 2619 1 14 . 1 1 453 453 THR N N 453 116.076 116.076 116.625 -0.549 25931 2620 1 14 . 1 1 453 453 THR C C 453 176.199 176.199 176.827 -0.628 25931 2621 1 14 . 1 1 453 453 THR CA C 453 67.919 67.919 66.942 0.977 25931 2622 1 14 . 1 1 453 453 THR CB C 453 67.006 67.006 68.385 -1.379 25931 2623 1 14 . 1 1 453 453 THR H H 453 8.107 8.107 8.288 -0.181 25931 2624 1 14 . 1 1 454 454 ILE N N 454 120.174 120.174 121.152 -0.978 25931 2625 1 14 . 1 1 454 454 ILE C C 454 176.934 176.934 177.398 -0.464 25931 2626 1 14 . 1 1 454 454 ILE CA C 454 65.145 65.145 65.448 -0.303 25931 2627 1 14 . 1 1 454 454 ILE CB C 454 36.595 36.595 37.556 -0.961 25931 2628 1 14 . 1 1 454 454 ILE H H 454 8.050 8.050 8.432 -0.382 25931 2629 1 14 . 1 1 455 455 ALA N N 455 121.197 121.197 122.966 -1.769 25931 2630 1 14 . 1 1 455 455 ALA C C 455 178.897 178.897 179.724 -0.827 25931 2631 1 14 . 1 1 455 455 ALA CA C 455 55.346 55.346 55.569 -0.223 25931 2632 1 14 . 1 1 455 455 ALA CB C 455 17.074 17.074 18.157 -1.083 25931 2633 1 14 . 1 1 455 455 ALA H H 455 8.255 8.255 8.155 0.100 25931 2634 1 14 . 1 1 456 456 VAL N N 456 116.760 116.760 119.140 -2.380 25931 2635 1 14 . 1 1 456 456 VAL C C 456 177.513 177.513 177.999 -0.486 25931 2636 1 14 . 1 1 456 456 VAL CA C 456 66.494 66.494 66.397 0.097 25931 2637 1 14 . 1 1 456 456 VAL CB C 456 30.226 30.226 31.478 -1.252 25931 2638 1 14 . 1 1 456 456 VAL H H 456 8.215 8.215 7.985 0.230 25931 2639 1 14 . 1 1 457 457 LEU N N 457 119.491 119.491 119.802 -0.311 25931 2640 1 14 . 1 1 457 457 LEU C C 457 179.589 179.589 179.193 0.396 25931 2641 1 14 . 1 1 457 457 LEU CA C 457 58.056 58.056 58.114 -0.058 25931 2642 1 14 . 1 1 457 457 LEU CB C 457 40.414 40.414 41.591 -1.177 25931 2643 1 14 . 1 1 457 457 LEU H H 457 8.157 8.157 7.571 0.586 25931 2644 1 14 . 1 1 458 458 LEU N N 458 118.534 118.534 119.036 -0.502 25931 2645 1 14 . 1 1 458 458 LEU C C 458 178.949 178.949 178.970 -0.021 25931 2646 1 14 . 1 1 458 458 LEU CA C 458 57.395 57.395 57.889 -0.494 25931 2647 1 14 . 1 1 458 458 LEU CB C 458 40.615 40.615 41.402 -0.787 25931 2648 1 14 . 1 1 458 458 LEU H H 458 8.562 8.562 8.309 0.253 25931 2649 1 14 . 1 1 459 459 ALA N N 459 122.364 122.364 122.627 -0.263 25931 2650 1 14 . 1 1 459 459 ALA C C 459 179.842 179.842 179.797 0.045 25931 2651 1 14 . 1 1 459 459 ALA CA C 459 55.173 55.173 55.265 -0.092 25931 2652 1 14 . 1 1 459 459 ALA CB C 459 17.083 17.083 18.344 -1.261 25931 2653 1 14 . 1 1 459 459 ALA H H 459 8.403 8.403 8.277 0.126 25931 2654 1 14 . 1 1 460 460 LEU N N 460 118.056 118.056 119.285 -1.229 25931 2655 1 14 . 1 1 460 460 LEU C C 460 179.308 179.308 179.371 -0.063 25931 2656 1 14 . 1 1 460 460 LEU CA C 460 57.673 57.673 57.808 -0.135 25931 2657 1 14 . 1 1 460 460 LEU CB C 460 40.414 40.414 41.583 -1.169 25931 2658 1 14 . 1 1 460 460 LEU H H 460 8.530 8.530 7.950 0.580 25931 2659 1 14 . 1 1 461 461 ARG N N 461 119.570 119.570 119.588 -0.018 25931 2660 1 14 . 1 1 461 461 ARG C C 461 178.608 178.608 178.647 -0.039 25931 2661 1 14 . 1 1 461 461 ARG CA C 461 57.818 57.818 59.130 -1.312 25931 2662 1 14 . 1 1 461 461 ARG CB C 461 28.607 28.607 29.974 -1.367 25931 2663 1 14 . 1 1 461 461 ARG H H 461 8.051 8.051 7.644 0.407 25931 2664 1 14 . 1 1 462 462 PHE N N 462 118.758 118.758 121.177 -2.419 25931 2665 1 14 . 1 1 462 462 PHE C C 462 177.180 177.180 177.691 -0.511 25931 2666 1 14 . 1 1 462 462 PHE CA C 462 60.701 60.701 61.626 -0.925 25931 2667 1 14 . 1 1 462 462 PHE CB C 462 38.530 38.530 39.191 -0.661 25931 2668 1 14 . 1 1 462 462 PHE H H 462 8.463 8.463 8.440 0.023 25931 2669 1 14 . 1 1 463 463 CYS N N 463 116.550 116.550 117.493 -0.943 25931 2670 1 14 . 1 1 463 463 CYS C C 463 176.092 176.092 177.414 -1.322 25931 2671 1 14 . 1 1 463 463 CYS CA C 463 62.129 62.129 61.533 0.596 25931 2672 1 14 . 1 1 463 463 CYS CB C 463 26.966 26.966 26.913 0.053 25931 2673 1 14 . 1 1 463 463 CYS H H 463 8.317 8.317 9.096 -0.779 25931 2674 1 14 . 1 1 464 464 GLY N N 464 107.731 107.731 109.919 -2.188 25931 2675 1 14 . 1 1 464 464 GLY C C 464 174.972 174.972 176.039 -1.067 25931 2676 1 14 . 1 1 464 464 GLY CA C 464 46.074 46.074 47.039 -0.965 25931 2677 1 14 . 1 1 464 464 GLY H H 464 8.079 8.079 8.260 -0.181 25931 2678 1 14 . 1 1 465 465 ILE N N 465 120.035 120.035 120.834 -0.799 25931 2679 1 14 . 1 1 465 465 ILE C C 465 176.563 176.563 177.229 -0.666 25931 2680 1 14 . 1 1 465 465 ILE CA C 465 62.500 62.500 64.005 -1.505 25931 2681 1 14 . 1 1 465 465 ILE CB C 465 37.409 37.409 37.792 -0.383 25931 2682 1 14 . 1 1 465 465 ILE H H 465 7.771 7.771 7.497 0.274 25931 2683 1 14 . 1 1 466 466 TYR N N 466 118.754 118.754 117.974 0.780 25931 2684 1 14 . 1 1 466 466 TYR C C 466 176.313 176.313 177.007 -0.694 25931 2685 1 14 . 1 1 466 466 TYR CA C 466 58.506 58.506 59.346 -0.840 25931 2686 1 14 . 1 1 466 466 TYR CB C 466 37.917 37.917 38.596 -0.679 25931 2687 1 14 . 1 1 466 466 TYR H H 466 7.830 7.830 7.448 0.382 25931 2688 1 14 . 1 1 467 467 GLY N N 467 108.001 108.001 106.371 1.630 25931 2689 1 14 . 1 1 467 467 GLY C C 467 174.271 174.271 174.343 -0.072 25931 2690 1 14 . 1 1 467 467 GLY CA C 467 45.624 45.624 45.413 0.211 25931 2691 1 14 . 1 1 467 467 GLY H H 467 7.912 7.912 8.152 -0.240 25931 2692 1 14 . 1 1 468 468 TYR N N 468 119.906 119.906 119.476 0.430 25931 2693 1 14 . 1 1 468 468 TYR C C 468 175.743 175.743 175.918 -0.175 25931 2694 1 14 . 1 1 468 468 TYR CA C 468 58.268 58.268 56.678 1.590 25931 2695 1 14 . 1 1 468 468 TYR CB C 468 37.613 37.613 37.643 -0.030 25931 2696 1 14 . 1 1 468 468 TYR H H 468 7.891 7.891 7.995 -0.104 25931 2697 1 14 . 1 1 469 469 ARG N N 469 120.994 120.994 118.741 2.253 25931 2698 1 14 . 1 1 469 469 ARG C C 469 175.945 175.945 176.406 -0.461 25931 2699 1 14 . 1 1 469 469 ARG CA C 469 55.536 55.536 58.129 -2.593 25931 2700 1 14 . 1 1 469 469 ARG CB C 469 30.035 30.035 30.512 -0.477 25931 2701 1 14 . 1 1 469 469 ARG H H 469 7.868 7.868 8.361 -0.493 25931 2702 1 14 . 1 1 470 470 LEU N N 470 121.404 121.404 119.878 1.526 25931 2703 1 14 . 1 1 470 470 LEU C C 470 176.689 176.689 176.867 -0.178 25931 2704 1 14 . 1 1 470 470 LEU CA C 470 54.908 54.908 54.418 0.490 25931 2705 1 14 . 1 1 470 470 LEU CB C 470 41.077 41.077 42.437 -1.360 25931 2706 1 14 . 1 1 470 470 LEU H H 470 7.906 7.906 8.003 -0.097 25931 2707 1 14 . 1 1 471 471 ARG N N 471 120.513 120.513 121.221 -0.708 25931 2708 1 14 . 1 1 471 471 ARG C C 471 175.778 175.778 176.635 -0.857 25931 2709 1 14 . 1 1 471 471 ARG CA C 471 55.358 55.358 55.634 -0.276 25931 2710 1 14 . 1 1 471 471 ARG CB C 471 29.982 29.982 31.192 -1.210 25931 2711 1 14 . 1 1 471 471 ARG H H 471 7.902 7.902 8.502 -0.600 25931 2712 1 14 . 1 1 472 472 ARG N N 472 122.770 122.770 122.885 -0.115 25931 2713 1 14 . 1 1 472 472 ARG C C 472 175.428 175.428 176.850 -1.422 25931 2714 1 14 . 1 1 472 472 ARG CA C 472 55.596 55.596 57.766 -2.170 25931 2715 1 14 . 1 1 472 472 ARG CB C 472 29.982 29.982 30.458 -0.476 25931 2716 1 14 . 1 1 472 472 ARG H H 472 8.220 8.220 8.726 -0.506 25931 2717 1 15 . 1 1 431 431 LYS N N 431 121.472 121.472 120.280 1.192 25931 2718 1 15 . 1 1 431 431 LYS C C 431 176.470 176.470 177.198 -0.728 25931 2719 1 15 . 1 1 431 431 LYS CA C 431 56.046 56.046 56.547 -0.501 25931 2720 1 15 . 1 1 431 431 LYS CB C 431 32.213 32.213 32.675 -0.462 25931 2721 1 15 . 1 1 431 431 LYS H H 431 8.503 8.503 8.084 0.419 25931 2722 1 15 . 1 1 432 432 ARG N N 432 122.845 122.845 121.718 1.127 25931 2723 1 15 . 1 1 432 432 ARG C C 432 176.155 176.155 175.430 0.725 25931 2724 1 15 . 1 1 432 432 ARG CA C 432 55.385 55.385 55.965 -0.580 25931 2725 1 15 . 1 1 432 432 ARG CB C 432 29.615 29.615 30.559 -0.944 25931 2726 1 15 . 1 1 432 432 ARG H H 432 8.403 8.403 7.637 0.766 25931 2727 1 15 . 1 1 433 433 SER N N 433 117.709 117.709 119.741 -2.032 25931 2728 1 15 . 1 1 433 433 SER C C 433 174.350 174.350 173.322 1.028 25931 2729 1 15 . 1 1 433 433 SER CA C 433 57.970 57.970 58.112 -0.142 25931 2730 1 15 . 1 1 433 433 SER CB C 433 63.389 63.389 64.140 -0.751 25931 2731 1 15 . 1 1 433 433 SER H H 433 8.219 8.219 8.133 0.086 25931 2732 1 15 . 1 1 434 434 TRP N N 434 122.436 122.436 121.174 1.262 25931 2733 1 15 . 1 1 434 434 TRP C C 434 175.682 175.682 175.705 -0.023 25931 2734 1 15 . 1 1 434 434 TRP CA C 434 56.945 56.945 56.501 0.444 25931 2735 1 15 . 1 1 434 434 TRP CB C 434 28.749 28.749 30.837 -2.087 25931 2736 1 15 . 1 1 434 434 TRP H H 434 8.143 8.143 8.131 0.012 25931 2737 1 15 . 1 1 435 435 ASP N N 435 119.681 119.681 124.446 -4.765 25931 2738 1 15 . 1 1 435 435 ASP C C 435 175.734 175.734 176.662 -0.928 25931 2739 1 15 . 1 1 435 435 ASP CA C 435 53.097 53.097 53.765 -0.668 25931 2740 1 15 . 1 1 435 435 ASP CB C 435 38.446 38.446 41.583 -3.137 25931 2741 1 15 . 1 1 435 435 ASP H H 435 8.107 8.107 8.566 -0.459 25931 2742 1 15 . 1 1 436 436 THR N N 436 113.878 113.878 115.637 -1.759 25931 2743 1 15 . 1 1 436 436 THR C C 436 174.841 174.841 175.470 -0.629 25931 2744 1 15 . 1 1 436 436 THR CA C 436 62.342 62.342 61.188 1.154 25931 2745 1 15 . 1 1 436 436 THR CB C 436 68.789 68.789 70.431 -1.642 25931 2746 1 15 . 1 1 436 436 THR H H 436 7.890 7.890 8.253 -0.363 25931 2747 1 15 . 1 1 437 437 GLU N N 437 121.040 121.040 121.226 -0.186 25931 2748 1 15 . 1 1 437 437 GLU C C 437 176.085 176.085 176.171 -0.086 25931 2749 1 15 . 1 1 437 437 GLU CA C 437 56.271 56.271 58.263 -1.992 25931 2750 1 15 . 1 1 437 437 GLU CB C 437 27.760 27.760 30.015 -2.255 25931 2751 1 15 . 1 1 437 437 GLU H H 437 8.178 8.178 8.866 -0.688 25931 2752 1 15 . 1 1 438 438 SER N N 438 115.041 115.041 109.020 6.021 25931 2753 1 15 . 1 1 438 438 SER C C 438 174.622 174.622 174.867 -0.245 25931 2754 1 15 . 1 1 438 438 SER CA C 438 58.337 58.337 57.260 1.077 25931 2755 1 15 . 1 1 438 438 SER CB C 438 63.257 63.257 65.779 -2.522 25931 2756 1 15 . 1 1 438 438 SER H H 438 8.014 8.014 7.410 0.604 25931 2757 1 15 . 1 1 439 439 VAL N N 439 119.164 119.164 119.503 -0.339 25931 2758 1 15 . 1 1 439 439 VAL C C 439 175.866 175.866 176.057 -0.191 25931 2759 1 15 . 1 1 439 439 VAL CA C 439 62.223 62.223 64.475 -2.252 25931 2760 1 15 . 1 1 439 439 VAL CB C 439 31.602 31.602 31.247 0.355 25931 2761 1 15 . 1 1 439 439 VAL H H 439 7.867 7.867 8.464 -0.597 25931 2762 1 15 . 1 1 440 440 LEU N N 440 122.292 122.292 118.380 3.912 25931 2763 1 15 . 1 1 440 440 LEU CA C 440 54.619 54.619 52.310 2.309 25931 2764 1 15 . 1 1 440 440 LEU CB C 440 31.602 31.602 41.232 -9.630 25931 2765 1 15 . 1 1 440 440 LEU H H 440 7.951 7.951 7.635 0.316 25931 2766 1 15 . 1 1 442 442 MET C C 442 178.354 178.354 178.103 0.251 25931 2767 1 15 . 1 1 443 443 TRP N N 443 117.586 117.586 118.135 -0.549 25931 2768 1 15 . 1 1 443 443 TRP CA C 443 59.593 59.593 59.744 -0.151 25931 2769 1 15 . 1 1 443 443 TRP CB C 443 28.461 28.461 27.611 0.850 25931 2770 1 15 . 1 1 443 443 TRP H H 443 8.163 8.163 8.484 -0.321 25931 2771 1 15 . 1 1 444 444 VAL C C 444 177.425 177.425 178.154 -0.729 25931 2772 1 15 . 1 1 444 444 VAL CA C 444 65.850 65.850 65.529 0.321 25931 2773 1 15 . 1 1 445 445 LEU N N 445 119.396 119.396 119.253 0.143 25931 2774 1 15 . 1 1 445 445 LEU C C 445 178.275 178.275 178.603 -0.328 25931 2775 1 15 . 1 1 445 445 LEU CA C 445 57.792 57.792 57.846 -0.054 25931 2776 1 15 . 1 1 445 445 LEU CB C 445 40.192 40.192 41.281 -1.089 25931 2777 1 15 . 1 1 445 445 LEU H H 445 7.598 7.598 7.206 0.392 25931 2778 1 15 . 1 1 446 446 ALA N N 446 119.287 119.287 122.071 -2.784 25931 2779 1 15 . 1 1 446 446 ALA C C 446 178.827 178.827 179.714 -0.887 25931 2780 1 15 . 1 1 446 446 ALA CA C 446 55.134 55.134 55.084 0.050 25931 2781 1 15 . 1 1 446 446 ALA CB C 446 17.032 17.032 18.203 -1.171 25931 2782 1 15 . 1 1 446 446 ALA H H 446 8.360 8.360 7.734 0.626 25931 2783 1 15 . 1 1 447 447 LEU N N 447 117.101 117.101 119.254 -2.153 25931 2784 1 15 . 1 1 447 447 LEU C C 447 178.564 178.564 179.130 -0.566 25931 2785 1 15 . 1 1 447 447 LEU CA C 447 57.818 57.818 57.864 -0.046 25931 2786 1 15 . 1 1 447 447 LEU CB C 447 40.615 40.615 41.955 -1.340 25931 2787 1 15 . 1 1 447 447 LEU H H 447 7.906 7.906 7.914 -0.008 25931 2788 1 15 . 1 1 448 448 ILE N N 448 118.874 118.874 119.295 -0.421 25931 2789 1 15 . 1 1 448 448 ILE C C 448 177.504 177.504 178.057 -0.553 25931 2790 1 15 . 1 1 448 448 ILE CA C 448 65.667 65.667 65.780 -0.113 25931 2791 1 15 . 1 1 448 448 ILE CB C 448 36.492 36.492 37.833 -1.341 25931 2792 1 15 . 1 1 448 448 ILE H H 448 8.206 8.206 7.543 0.663 25931 2793 1 15 . 1 1 449 449 VAL N N 449 118.932 118.932 119.988 -1.056 25931 2794 1 15 . 1 1 449 449 VAL C C 449 179.107 179.107 177.956 1.151 25931 2795 1 15 . 1 1 449 449 VAL CA C 449 66.917 66.917 67.084 -0.167 25931 2796 1 15 . 1 1 449 449 VAL CB C 449 30.226 30.226 31.664 -1.438 25931 2797 1 15 . 1 1 449 449 VAL H H 449 8.271 8.271 7.497 0.774 25931 2798 1 15 . 1 1 450 450 ILE N N 450 123.013 123.013 120.457 2.556 25931 2799 1 15 . 1 1 450 450 ILE C C 450 177.092 177.092 177.745 -0.653 25931 2800 1 15 . 1 1 450 450 ILE CA C 450 65.594 65.594 65.229 0.365 25931 2801 1 15 . 1 1 450 450 ILE CB C 450 36.594 36.594 37.616 -1.022 25931 2802 1 15 . 1 1 450 450 ILE H H 450 8.603 8.603 7.457 1.146 25931 2803 1 15 . 1 1 451 451 PHE N N 451 119.352 119.352 118.819 0.533 25931 2804 1 15 . 1 1 451 451 PHE C C 451 177.408 177.408 178.059 -0.651 25931 2805 1 15 . 1 1 451 451 PHE CA C 451 61.389 61.389 62.503 -1.114 25931 2806 1 15 . 1 1 451 451 PHE CB C 451 37.970 37.970 38.299 -0.329 25931 2807 1 15 . 1 1 451 451 PHE H H 451 8.630 8.630 7.665 0.965 25931 2808 1 15 . 1 1 452 452 LEU N N 452 118.462 118.462 119.106 -0.644 25931 2809 1 15 . 1 1 452 452 LEU C C 452 177.959 177.959 179.222 -1.263 25931 2810 1 15 . 1 1 452 452 LEU CA C 452 57.606 57.606 58.140 -0.534 25931 2811 1 15 . 1 1 452 452 LEU CB C 452 40.924 40.924 41.590 -0.666 25931 2812 1 15 . 1 1 452 452 LEU H H 452 8.732 8.732 8.073 0.659 25931 2813 1 15 . 1 1 453 453 THR N N 453 116.076 116.076 116.685 -0.609 25931 2814 1 15 . 1 1 453 453 THR C C 453 176.199 176.199 176.843 -0.644 25931 2815 1 15 . 1 1 453 453 THR CA C 453 67.919 67.919 67.065 0.854 25931 2816 1 15 . 1 1 453 453 THR CB C 453 67.006 67.006 68.716 -1.710 25931 2817 1 15 . 1 1 453 453 THR H H 453 8.107 8.107 8.184 -0.077 25931 2818 1 15 . 1 1 454 454 ILE N N 454 120.174 120.174 121.678 -1.504 25931 2819 1 15 . 1 1 454 454 ILE C C 454 176.934 176.934 176.819 0.115 25931 2820 1 15 . 1 1 454 454 ILE CA C 454 65.145 65.145 63.383 1.762 25931 2821 1 15 . 1 1 454 454 ILE CB C 454 36.595 36.595 37.641 -1.046 25931 2822 1 15 . 1 1 454 454 ILE H H 454 8.050 8.050 8.200 -0.150 25931 2823 1 15 . 1 1 455 455 ALA N N 455 121.197 121.197 122.692 -1.495 25931 2824 1 15 . 1 1 455 455 ALA C C 455 178.897 178.897 179.872 -0.975 25931 2825 1 15 . 1 1 455 455 ALA CA C 455 55.346 55.346 55.537 -0.191 25931 2826 1 15 . 1 1 455 455 ALA CB C 455 17.074 17.074 18.091 -1.017 25931 2827 1 15 . 1 1 455 455 ALA H H 455 8.255 8.255 7.884 0.371 25931 2828 1 15 . 1 1 456 456 VAL N N 456 116.760 116.760 118.853 -2.093 25931 2829 1 15 . 1 1 456 456 VAL C C 456 177.513 177.513 178.145 -0.632 25931 2830 1 15 . 1 1 456 456 VAL CA C 456 66.494 66.494 66.975 -0.481 25931 2831 1 15 . 1 1 456 456 VAL CB C 456 30.226 30.226 31.356 -1.130 25931 2832 1 15 . 1 1 456 456 VAL H H 456 8.215 8.215 7.835 0.380 25931 2833 1 15 . 1 1 457 457 LEU N N 457 119.491 119.491 119.914 -0.423 25931 2834 1 15 . 1 1 457 457 LEU C C 457 179.589 179.589 179.345 0.244 25931 2835 1 15 . 1 1 457 457 LEU CA C 457 58.056 58.056 58.076 -0.020 25931 2836 1 15 . 1 1 457 457 LEU CB C 457 40.414 40.414 41.631 -1.217 25931 2837 1 15 . 1 1 457 457 LEU H H 457 8.157 8.157 7.536 0.621 25931 2838 1 15 . 1 1 458 458 LEU N N 458 118.534 118.534 119.060 -0.526 25931 2839 1 15 . 1 1 458 458 LEU C C 458 178.949 178.949 178.956 -0.007 25931 2840 1 15 . 1 1 458 458 LEU CA C 458 57.395 57.395 57.884 -0.489 25931 2841 1 15 . 1 1 458 458 LEU CB C 458 40.615 40.615 41.417 -0.802 25931 2842 1 15 . 1 1 458 458 LEU H H 458 8.562 8.562 8.275 0.287 25931 2843 1 15 . 1 1 459 459 ALA N N 459 122.364 122.364 122.557 -0.193 25931 2844 1 15 . 1 1 459 459 ALA C C 459 179.842 179.842 179.787 0.055 25931 2845 1 15 . 1 1 459 459 ALA CA C 459 55.173 55.173 55.250 -0.077 25931 2846 1 15 . 1 1 459 459 ALA CB C 459 17.083 17.083 18.343 -1.260 25931 2847 1 15 . 1 1 459 459 ALA H H 459 8.403 8.403 8.350 0.053 25931 2848 1 15 . 1 1 460 460 LEU N N 460 118.056 118.056 119.351 -1.295 25931 2849 1 15 . 1 1 460 460 LEU C C 460 179.308 179.308 179.344 -0.036 25931 2850 1 15 . 1 1 460 460 LEU CA C 460 57.673 57.673 57.806 -0.133 25931 2851 1 15 . 1 1 460 460 LEU CB C 460 40.414 40.414 41.546 -1.132 25931 2852 1 15 . 1 1 460 460 LEU H H 460 8.530 8.530 7.951 0.579 25931 2853 1 15 . 1 1 461 461 ARG N N 461 119.570 119.570 119.667 -0.097 25931 2854 1 15 . 1 1 461 461 ARG C C 461 178.608 178.608 178.642 -0.034 25931 2855 1 15 . 1 1 461 461 ARG CA C 461 57.818 57.818 59.132 -1.314 25931 2856 1 15 . 1 1 461 461 ARG CB C 461 28.607 28.607 29.957 -1.350 25931 2857 1 15 . 1 1 461 461 ARG H H 461 8.051 8.051 7.655 0.396 25931 2858 1 15 . 1 1 462 462 PHE N N 462 118.758 118.758 121.239 -2.481 25931 2859 1 15 . 1 1 462 462 PHE C C 462 177.180 177.180 177.674 -0.494 25931 2860 1 15 . 1 1 462 462 PHE CA C 462 60.701 60.701 61.659 -0.958 25931 2861 1 15 . 1 1 462 462 PHE CB C 462 38.530 38.530 39.181 -0.651 25931 2862 1 15 . 1 1 462 462 PHE H H 462 8.463 8.463 8.349 0.114 25931 2863 1 15 . 1 1 463 463 CYS N N 463 116.550 116.550 117.590 -1.040 25931 2864 1 15 . 1 1 463 463 CYS C C 463 176.092 176.092 177.516 -1.424 25931 2865 1 15 . 1 1 463 463 CYS CA C 463 62.129 62.129 61.880 0.249 25931 2866 1 15 . 1 1 463 463 CYS CB C 463 26.966 26.966 26.998 -0.032 25931 2867 1 15 . 1 1 463 463 CYS H H 463 8.317 8.317 9.068 -0.751 25931 2868 1 15 . 1 1 464 464 GLY N N 464 107.731 107.731 109.900 -2.169 25931 2869 1 15 . 1 1 464 464 GLY C C 464 174.972 174.972 176.084 -1.112 25931 2870 1 15 . 1 1 464 464 GLY CA C 464 46.074 46.074 46.999 -0.925 25931 2871 1 15 . 1 1 464 464 GLY H H 464 8.079 8.079 8.280 -0.201 25931 2872 1 15 . 1 1 465 465 ILE N N 465 120.035 120.035 121.848 -1.813 25931 2873 1 15 . 1 1 465 465 ILE C C 465 176.563 176.563 177.222 -0.659 25931 2874 1 15 . 1 1 465 465 ILE CA C 465 62.500 62.500 64.388 -1.888 25931 2875 1 15 . 1 1 465 465 ILE CB C 465 37.409 37.409 37.843 -0.434 25931 2876 1 15 . 1 1 465 465 ILE H H 465 7.771 7.771 7.358 0.413 25931 2877 1 15 . 1 1 466 466 TYR N N 466 118.754 118.754 116.255 2.499 25931 2878 1 15 . 1 1 466 466 TYR C C 466 176.313 176.313 177.047 -0.734 25931 2879 1 15 . 1 1 466 466 TYR CA C 466 58.506 58.506 59.450 -0.944 25931 2880 1 15 . 1 1 466 466 TYR CB C 466 37.917 37.917 38.883 -0.966 25931 2881 1 15 . 1 1 466 466 TYR H H 466 7.830 7.830 7.324 0.506 25931 2882 1 15 . 1 1 467 467 GLY N N 467 108.001 108.001 107.257 0.744 25931 2883 1 15 . 1 1 467 467 GLY C C 467 174.271 174.271 174.508 -0.237 25931 2884 1 15 . 1 1 467 467 GLY CA C 467 45.624 45.624 45.356 0.268 25931 2885 1 15 . 1 1 467 467 GLY H H 467 7.912 7.912 8.202 -0.290 25931 2886 1 15 . 1 1 468 468 TYR N N 468 119.906 119.906 117.490 2.416 25931 2887 1 15 . 1 1 468 468 TYR C C 468 175.743 175.743 174.286 1.457 25931 2888 1 15 . 1 1 468 468 TYR CA C 468 58.268 58.268 60.222 -1.954 25931 2889 1 15 . 1 1 468 468 TYR CB C 468 37.613 37.613 37.994 -0.381 25931 2890 1 15 . 1 1 468 468 TYR H H 468 7.891 7.891 8.239 -0.348 25931 2891 1 15 . 1 1 469 469 ARG N N 469 120.994 120.994 118.033 2.961 25931 2892 1 15 . 1 1 469 469 ARG C C 469 175.945 175.945 174.756 1.189 25931 2893 1 15 . 1 1 469 469 ARG CA C 469 55.536 55.536 54.480 1.056 25931 2894 1 15 . 1 1 469 469 ARG CB C 469 30.035 30.035 33.170 -3.135 25931 2895 1 15 . 1 1 469 469 ARG H H 469 7.868 7.868 7.409 0.459 25931 2896 1 15 . 1 1 470 470 LEU N N 470 121.404 121.404 122.904 -1.500 25931 2897 1 15 . 1 1 470 470 LEU C C 470 176.689 176.689 176.921 -0.232 25931 2898 1 15 . 1 1 470 470 LEU CA C 470 54.908 54.908 54.127 0.781 25931 2899 1 15 . 1 1 470 470 LEU CB C 470 41.077 41.077 42.840 -1.763 25931 2900 1 15 . 1 1 470 470 LEU H H 470 7.906 7.906 8.342 -0.436 25931 2901 1 15 . 1 1 471 471 ARG N N 471 120.513 120.513 122.777 -2.264 25931 2902 1 15 . 1 1 471 471 ARG C C 471 175.778 175.778 175.827 -0.049 25931 2903 1 15 . 1 1 471 471 ARG CA C 471 55.358 55.358 55.379 -0.021 25931 2904 1 15 . 1 1 471 471 ARG CB C 471 29.982 29.982 31.329 -1.347 25931 2905 1 15 . 1 1 471 471 ARG H H 471 7.902 7.902 8.483 -0.581 25931 2906 1 15 . 1 1 472 472 ARG N N 472 122.770 122.770 122.533 0.237 25931 2907 1 15 . 1 1 472 472 ARG C C 472 175.428 175.428 176.252 -0.824 25931 2908 1 15 . 1 1 472 472 ARG CA C 472 55.596 55.596 56.108 -0.512 25931 2909 1 15 . 1 1 472 472 ARG CB C 472 29.982 29.982 30.843 -0.861 25931 2910 1 15 . 1 1 472 472 ARG H H 472 8.220 8.220 8.504 -0.284 25931 2911 1 16 . 1 1 431 431 LYS N N 431 121.472 121.472 121.286 0.186 25931 2912 1 16 . 1 1 431 431 LYS C C 431 176.470 176.470 176.532 -0.062 25931 2913 1 16 . 1 1 431 431 LYS CA C 431 56.046 56.046 56.896 -0.850 25931 2914 1 16 . 1 1 431 431 LYS CB C 431 32.213 32.213 32.793 -0.580 25931 2915 1 16 . 1 1 431 431 LYS H H 431 8.503 8.503 8.046 0.457 25931 2916 1 16 . 1 1 432 432 ARG N N 432 122.845 122.845 119.846 2.999 25931 2917 1 16 . 1 1 432 432 ARG C C 432 176.155 176.155 175.631 0.524 25931 2918 1 16 . 1 1 432 432 ARG CA C 432 55.385 55.385 55.472 -0.087 25931 2919 1 16 . 1 1 432 432 ARG CB C 432 29.615 29.615 31.281 -1.666 25931 2920 1 16 . 1 1 432 432 ARG H H 432 8.403 8.403 8.125 0.278 25931 2921 1 16 . 1 1 433 433 SER N N 433 117.709 117.709 118.615 -0.906 25931 2922 1 16 . 1 1 433 433 SER C C 433 174.350 174.350 174.779 -0.429 25931 2923 1 16 . 1 1 433 433 SER CA C 433 57.970 57.970 58.428 -0.458 25931 2924 1 16 . 1 1 433 433 SER CB C 433 63.389 63.389 63.498 -0.109 25931 2925 1 16 . 1 1 433 433 SER H H 433 8.219 8.219 8.364 -0.145 25931 2926 1 16 . 1 1 434 434 TRP N N 434 122.436 122.436 120.741 1.695 25931 2927 1 16 . 1 1 434 434 TRP C C 434 175.682 175.682 174.985 0.697 25931 2928 1 16 . 1 1 434 434 TRP CA C 434 56.945 56.945 56.842 0.103 25931 2929 1 16 . 1 1 434 434 TRP CB C 434 28.749 28.749 29.078 -0.329 25931 2930 1 16 . 1 1 434 434 TRP H H 434 8.143 8.143 8.400 -0.257 25931 2931 1 16 . 1 1 435 435 ASP N N 435 119.681 119.681 121.826 -2.145 25931 2932 1 16 . 1 1 435 435 ASP C C 435 175.734 175.734 176.745 -1.011 25931 2933 1 16 . 1 1 435 435 ASP CA C 435 53.097 53.097 53.934 -0.837 25931 2934 1 16 . 1 1 435 435 ASP CB C 435 38.446 38.446 40.949 -2.502 25931 2935 1 16 . 1 1 435 435 ASP H H 435 8.107 8.107 8.499 -0.392 25931 2936 1 16 . 1 1 436 436 THR N N 436 113.878 113.878 114.669 -0.791 25931 2937 1 16 . 1 1 436 436 THR C C 436 174.841 174.841 174.931 -0.090 25931 2938 1 16 . 1 1 436 436 THR CA C 436 62.342 62.342 63.612 -1.270 25931 2939 1 16 . 1 1 436 436 THR CB C 436 68.789 68.789 69.538 -0.749 25931 2940 1 16 . 1 1 436 436 THR H H 436 7.890 7.890 8.491 -0.601 25931 2941 1 16 . 1 1 437 437 GLU N N 437 121.040 121.040 120.946 0.094 25931 2942 1 16 . 1 1 437 437 GLU C C 437 176.085 176.085 174.962 1.123 25931 2943 1 16 . 1 1 437 437 GLU CA C 437 56.271 56.271 55.839 0.432 25931 2944 1 16 . 1 1 437 437 GLU CB C 437 27.760 27.760 31.457 -3.697 25931 2945 1 16 . 1 1 437 437 GLU H H 437 8.178 8.178 8.005 0.173 25931 2946 1 16 . 1 1 438 438 SER N N 438 115.041 115.041 118.168 -3.127 25931 2947 1 16 . 1 1 438 438 SER C C 438 174.622 174.622 174.064 0.558 25931 2948 1 16 . 1 1 438 438 SER CA C 438 58.337 58.337 57.889 0.448 25931 2949 1 16 . 1 1 438 438 SER CB C 438 63.257 63.257 64.631 -1.374 25931 2950 1 16 . 1 1 438 438 SER H H 438 8.014 8.014 8.286 -0.272 25931 2951 1 16 . 1 1 439 439 VAL N N 439 119.164 119.164 121.029 -1.865 25931 2952 1 16 . 1 1 439 439 VAL C C 439 175.866 175.866 175.426 0.440 25931 2953 1 16 . 1 1 439 439 VAL CA C 439 62.223 62.223 64.675 -2.452 25931 2954 1 16 . 1 1 439 439 VAL CB C 439 31.602 31.602 32.016 -0.414 25931 2955 1 16 . 1 1 439 439 VAL H H 439 7.867 7.867 8.306 -0.439 25931 2956 1 16 . 1 1 440 440 LEU N N 440 122.292 122.292 120.706 1.586 25931 2957 1 16 . 1 1 440 440 LEU CA C 440 54.619 54.619 52.260 2.359 25931 2958 1 16 . 1 1 440 440 LEU CB C 440 31.602 31.602 42.708 -11.106 25931 2959 1 16 . 1 1 440 440 LEU H H 440 7.951 7.951 7.650 0.301 25931 2960 1 16 . 1 1 442 442 MET C C 442 178.354 178.354 178.325 0.029 25931 2961 1 16 . 1 1 443 443 TRP N N 443 117.586 117.586 118.967 -1.381 25931 2962 1 16 . 1 1 443 443 TRP CA C 443 59.593 59.593 59.998 -0.405 25931 2963 1 16 . 1 1 443 443 TRP CB C 443 28.461 28.461 27.529 0.932 25931 2964 1 16 . 1 1 443 443 TRP H H 443 8.163 8.163 8.356 -0.193 25931 2965 1 16 . 1 1 444 444 VAL C C 444 177.425 177.425 177.472 -0.047 25931 2966 1 16 . 1 1 444 444 VAL CA C 444 65.850 65.850 64.363 1.487 25931 2967 1 16 . 1 1 445 445 LEU N N 445 119.396 119.396 121.434 -2.038 25931 2968 1 16 . 1 1 445 445 LEU C C 445 178.275 178.275 178.255 0.020 25931 2969 1 16 . 1 1 445 445 LEU CA C 445 57.792 57.792 57.630 0.162 25931 2970 1 16 . 1 1 445 445 LEU CB C 445 40.192 40.192 41.119 -0.927 25931 2971 1 16 . 1 1 445 445 LEU H H 445 7.598 7.598 7.173 0.425 25931 2972 1 16 . 1 1 446 446 ALA N N 446 119.287 119.287 121.661 -2.374 25931 2973 1 16 . 1 1 446 446 ALA C C 446 178.827 178.827 179.779 -0.952 25931 2974 1 16 . 1 1 446 446 ALA CA C 446 55.134 55.134 55.071 0.063 25931 2975 1 16 . 1 1 446 446 ALA CB C 446 17.032 17.032 18.181 -1.149 25931 2976 1 16 . 1 1 446 446 ALA H H 446 8.360 8.360 7.665 0.695 25931 2977 1 16 . 1 1 447 447 LEU N N 447 117.101 117.101 119.185 -2.084 25931 2978 1 16 . 1 1 447 447 LEU C C 447 178.564 178.564 179.137 -0.573 25931 2979 1 16 . 1 1 447 447 LEU CA C 447 57.818 57.818 57.842 -0.024 25931 2980 1 16 . 1 1 447 447 LEU CB C 447 40.615 40.615 41.939 -1.324 25931 2981 1 16 . 1 1 447 447 LEU H H 447 7.906 7.906 7.732 0.174 25931 2982 1 16 . 1 1 448 448 ILE N N 448 118.874 118.874 119.296 -0.422 25931 2983 1 16 . 1 1 448 448 ILE C C 448 177.504 177.504 178.061 -0.557 25931 2984 1 16 . 1 1 448 448 ILE CA C 448 65.667 65.667 65.756 -0.089 25931 2985 1 16 . 1 1 448 448 ILE CB C 448 36.492 36.492 37.815 -1.323 25931 2986 1 16 . 1 1 448 448 ILE H H 448 8.206 8.206 7.567 0.639 25931 2987 1 16 . 1 1 449 449 VAL N N 449 118.932 118.932 120.191 -1.259 25931 2988 1 16 . 1 1 449 449 VAL C C 449 179.107 179.107 178.091 1.016 25931 2989 1 16 . 1 1 449 449 VAL CA C 449 66.917 66.917 66.994 -0.077 25931 2990 1 16 . 1 1 449 449 VAL CB C 449 30.226 30.226 31.637 -1.411 25931 2991 1 16 . 1 1 449 449 VAL H H 449 8.271 8.271 7.510 0.761 25931 2992 1 16 . 1 1 450 450 ILE N N 450 123.013 123.013 120.107 2.906 25931 2993 1 16 . 1 1 450 450 ILE C C 450 177.092 177.092 178.084 -0.992 25931 2994 1 16 . 1 1 450 450 ILE CA C 450 65.594 65.594 63.434 2.159 25931 2995 1 16 . 1 1 450 450 ILE CB C 450 36.594 36.594 36.337 0.257 25931 2996 1 16 . 1 1 450 450 ILE H H 450 8.603 8.603 7.492 1.111 25931 2997 1 16 . 1 1 451 451 PHE N N 451 119.352 119.352 119.235 0.117 25931 2998 1 16 . 1 1 451 451 PHE C C 451 177.408 177.408 178.247 -0.839 25931 2999 1 16 . 1 1 451 451 PHE CA C 451 61.389 61.389 62.396 -1.007 25931 3000 1 16 . 1 1 451 451 PHE CB C 451 37.970 37.970 38.001 -0.031 25931 3001 1 16 . 1 1 451 451 PHE H H 451 8.630 8.630 7.688 0.942 25931 3002 1 16 . 1 1 452 452 LEU N N 452 118.462 118.462 120.069 -1.607 25931 3003 1 16 . 1 1 452 452 LEU C C 452 177.959 177.959 178.588 -0.629 25931 3004 1 16 . 1 1 452 452 LEU CA C 452 57.606 57.606 58.240 -0.635 25931 3005 1 16 . 1 1 452 452 LEU CB C 452 40.924 40.924 41.668 -0.744 25931 3006 1 16 . 1 1 452 452 LEU H H 452 8.732 8.732 8.233 0.499 25931 3007 1 16 . 1 1 453 453 THR N N 453 116.076 116.076 117.120 -1.044 25931 3008 1 16 . 1 1 453 453 THR C C 453 176.199 176.199 176.931 -0.732 25931 3009 1 16 . 1 1 453 453 THR CA C 453 67.919 67.919 67.600 0.319 25931 3010 1 16 . 1 1 453 453 THR CB C 453 67.006 67.006 68.669 -1.663 25931 3011 1 16 . 1 1 453 453 THR H H 453 8.107 8.107 8.211 -0.104 25931 3012 1 16 . 1 1 454 454 ILE N N 454 120.174 120.174 121.489 -1.315 25931 3013 1 16 . 1 1 454 454 ILE C C 454 176.934 176.934 177.574 -0.640 25931 3014 1 16 . 1 1 454 454 ILE CA C 454 65.145 65.145 65.243 -0.098 25931 3015 1 16 . 1 1 454 454 ILE CB C 454 36.595 36.595 37.667 -1.072 25931 3016 1 16 . 1 1 454 454 ILE H H 454 8.050 8.050 8.463 -0.413 25931 3017 1 16 . 1 1 455 455 ALA N N 455 121.197 121.197 122.708 -1.511 25931 3018 1 16 . 1 1 455 455 ALA C C 455 178.897 178.897 179.649 -0.752 25931 3019 1 16 . 1 1 455 455 ALA CA C 455 55.346 55.346 55.448 -0.102 25931 3020 1 16 . 1 1 455 455 ALA CB C 455 17.074 17.074 18.111 -1.038 25931 3021 1 16 . 1 1 455 455 ALA H H 455 8.255 8.255 8.005 0.250 25931 3022 1 16 . 1 1 456 456 VAL N N 456 116.760 116.760 119.160 -2.400 25931 3023 1 16 . 1 1 456 456 VAL C C 456 177.513 177.513 178.015 -0.502 25931 3024 1 16 . 1 1 456 456 VAL CA C 456 66.494 66.494 66.851 -0.357 25931 3025 1 16 . 1 1 456 456 VAL CB C 456 30.226 30.226 31.812 -1.586 25931 3026 1 16 . 1 1 456 456 VAL H H 456 8.215 8.215 7.968 0.247 25931 3027 1 16 . 1 1 457 457 LEU N N 457 119.491 119.491 119.837 -0.346 25931 3028 1 16 . 1 1 457 457 LEU C C 457 179.589 179.589 179.155 0.434 25931 3029 1 16 . 1 1 457 457 LEU CA C 457 58.056 58.056 57.973 0.083 25931 3030 1 16 . 1 1 457 457 LEU CB C 457 40.414 40.414 41.642 -1.228 25931 3031 1 16 . 1 1 457 457 LEU H H 457 8.157 8.157 7.607 0.550 25931 3032 1 16 . 1 1 458 458 LEU N N 458 118.534 118.534 119.079 -0.545 25931 3033 1 16 . 1 1 458 458 LEU C C 458 178.949 178.949 178.933 0.016 25931 3034 1 16 . 1 1 458 458 LEU CA C 458 57.395 57.395 57.893 -0.498 25931 3035 1 16 . 1 1 458 458 LEU CB C 458 40.615 40.615 41.403 -0.788 25931 3036 1 16 . 1 1 458 458 LEU H H 458 8.562 8.562 8.239 0.323 25931 3037 1 16 . 1 1 459 459 ALA N N 459 122.364 122.364 122.478 -0.114 25931 3038 1 16 . 1 1 459 459 ALA C C 459 179.842 179.842 179.783 0.059 25931 3039 1 16 . 1 1 459 459 ALA CA C 459 55.173 55.173 55.335 -0.162 25931 3040 1 16 . 1 1 459 459 ALA CB C 459 17.083 17.083 18.153 -1.070 25931 3041 1 16 . 1 1 459 459 ALA H H 459 8.403 8.403 8.278 0.125 25931 3042 1 16 . 1 1 460 460 LEU N N 460 118.056 118.056 119.770 -1.714 25931 3043 1 16 . 1 1 460 460 LEU C C 460 179.308 179.308 179.593 -0.285 25931 3044 1 16 . 1 1 460 460 LEU CA C 460 57.673 57.673 57.486 0.187 25931 3045 1 16 . 1 1 460 460 LEU CB C 460 40.414 40.414 41.587 -1.173 25931 3046 1 16 . 1 1 460 460 LEU H H 460 8.530 8.530 7.942 0.588 25931 3047 1 16 . 1 1 461 461 ARG N N 461 119.570 119.570 118.953 0.617 25931 3048 1 16 . 1 1 461 461 ARG C C 461 178.608 178.608 178.522 0.086 25931 3049 1 16 . 1 1 461 461 ARG CA C 461 57.818 57.818 58.641 -0.823 25931 3050 1 16 . 1 1 461 461 ARG CB C 461 28.607 28.607 29.754 -1.147 25931 3051 1 16 . 1 1 461 461 ARG H H 461 8.051 8.051 7.658 0.393 25931 3052 1 16 . 1 1 462 462 PHE N N 462 118.758 118.758 121.003 -2.245 25931 3053 1 16 . 1 1 462 462 PHE C C 462 177.180 177.180 177.783 -0.603 25931 3054 1 16 . 1 1 462 462 PHE CA C 462 60.701 60.701 61.379 -0.678 25931 3055 1 16 . 1 1 462 462 PHE CB C 462 38.530 38.530 39.354 -0.824 25931 3056 1 16 . 1 1 462 462 PHE H H 462 8.463 8.463 8.477 -0.014 25931 3057 1 16 . 1 1 463 463 CYS N N 463 116.550 116.550 116.893 -0.343 25931 3058 1 16 . 1 1 463 463 CYS C C 463 176.092 176.092 177.355 -1.263 25931 3059 1 16 . 1 1 463 463 CYS CA C 463 62.129 62.129 60.715 1.414 25931 3060 1 16 . 1 1 463 463 CYS CB C 463 26.966 26.966 27.929 -0.963 25931 3061 1 16 . 1 1 463 463 CYS H H 463 8.317 8.317 9.096 -0.779 25931 3062 1 16 . 1 1 464 464 GLY N N 464 107.731 107.731 110.684 -2.953 25931 3063 1 16 . 1 1 464 464 GLY C C 464 174.972 174.972 175.841 -0.869 25931 3064 1 16 . 1 1 464 464 GLY CA C 464 46.074 46.074 46.958 -0.884 25931 3065 1 16 . 1 1 464 464 GLY H H 464 8.079 8.079 8.368 -0.289 25931 3066 1 16 . 1 1 465 465 ILE N N 465 120.035 120.035 120.895 -0.860 25931 3067 1 16 . 1 1 465 465 ILE C C 465 176.563 176.563 177.254 -0.691 25931 3068 1 16 . 1 1 465 465 ILE CA C 465 62.500 62.500 63.364 -0.864 25931 3069 1 16 . 1 1 465 465 ILE CB C 465 37.409 37.409 38.066 -0.657 25931 3070 1 16 . 1 1 465 465 ILE H H 465 7.771 7.771 7.312 0.459 25931 3071 1 16 . 1 1 466 466 TYR N N 466 118.754 118.754 117.122 1.632 25931 3072 1 16 . 1 1 466 466 TYR C C 466 176.313 176.313 176.659 -0.346 25931 3073 1 16 . 1 1 466 466 TYR CA C 466 58.506 58.506 59.194 -0.688 25931 3074 1 16 . 1 1 466 466 TYR CB C 466 37.917 37.917 38.823 -0.906 25931 3075 1 16 . 1 1 466 466 TYR H H 466 7.830 7.830 7.342 0.488 25931 3076 1 16 . 1 1 467 467 GLY N N 467 108.001 108.001 105.894 2.107 25931 3077 1 16 . 1 1 467 467 GLY C C 467 174.271 174.271 174.989 -0.718 25931 3078 1 16 . 1 1 467 467 GLY CA C 467 45.624 45.624 45.359 0.265 25931 3079 1 16 . 1 1 467 467 GLY H H 467 7.912 7.912 8.004 -0.092 25931 3080 1 16 . 1 1 468 468 TYR N N 468 119.906 119.906 118.555 1.351 25931 3081 1 16 . 1 1 468 468 TYR C C 468 175.743 175.743 176.578 -0.835 25931 3082 1 16 . 1 1 468 468 TYR CA C 468 58.268 58.268 57.466 0.802 25931 3083 1 16 . 1 1 468 468 TYR CB C 468 37.613 37.613 38.133 -0.520 25931 3084 1 16 . 1 1 468 468 TYR H H 468 7.891 7.891 8.189 -0.298 25931 3085 1 16 . 1 1 469 469 ARG N N 469 120.994 120.994 119.661 1.333 25931 3086 1 16 . 1 1 469 469 ARG C C 469 175.945 175.945 176.110 -0.165 25931 3087 1 16 . 1 1 469 469 ARG CA C 469 55.536 55.536 57.791 -2.255 25931 3088 1 16 . 1 1 469 469 ARG CB C 469 30.035 30.035 30.299 -0.264 25931 3089 1 16 . 1 1 469 469 ARG H H 469 7.868 7.868 7.932 -0.064 25931 3090 1 16 . 1 1 470 470 LEU N N 470 121.404 121.404 120.034 1.370 25931 3091 1 16 . 1 1 470 470 LEU C C 470 176.689 176.689 176.953 -0.264 25931 3092 1 16 . 1 1 470 470 LEU CA C 470 54.908 54.908 53.289 1.619 25931 3093 1 16 . 1 1 470 470 LEU CB C 470 41.077 41.077 43.752 -2.675 25931 3094 1 16 . 1 1 470 470 LEU H H 470 7.906 7.906 7.670 0.236 25931 3095 1 16 . 1 1 471 471 ARG N N 471 120.513 120.513 126.107 -5.594 25931 3096 1 16 . 1 1 471 471 ARG C C 471 175.778 175.778 176.593 -0.815 25931 3097 1 16 . 1 1 471 471 ARG CA C 471 55.358 55.358 57.941 -2.583 25931 3098 1 16 . 1 1 471 471 ARG CB C 471 29.982 29.982 30.639 -0.657 25931 3099 1 16 . 1 1 471 471 ARG H H 471 7.902 7.902 8.633 -0.731 25931 3100 1 16 . 1 1 472 472 ARG N N 472 122.770 122.770 119.846 2.924 25931 3101 1 16 . 1 1 472 472 ARG C C 472 175.428 175.428 175.027 0.401 25931 3102 1 16 . 1 1 472 472 ARG CA C 472 55.596 55.596 55.316 0.279 25931 3103 1 16 . 1 1 472 472 ARG CB C 472 29.982 29.982 31.487 -1.505 25931 3104 1 16 . 1 1 472 472 ARG H H 472 8.220 8.220 7.905 0.315 25931 3105 1 17 . 1 1 431 431 LYS N N 431 121.472 121.472 119.909 1.563 25931 3106 1 17 . 1 1 431 431 LYS C C 431 176.470 176.470 177.907 -1.437 25931 3107 1 17 . 1 1 431 431 LYS CA C 431 56.046 56.046 57.835 -1.789 25931 3108 1 17 . 1 1 431 431 LYS CB C 431 32.213 32.213 32.466 -0.253 25931 3109 1 17 . 1 1 431 431 LYS H H 431 8.503 8.503 8.312 0.191 25931 3110 1 17 . 1 1 432 432 ARG N N 432 122.845 122.845 118.654 4.191 25931 3111 1 17 . 1 1 432 432 ARG C C 432 176.155 176.155 176.489 -0.334 25931 3112 1 17 . 1 1 432 432 ARG CA C 432 55.385 55.385 57.113 -1.728 25931 3113 1 17 . 1 1 432 432 ARG CB C 432 29.615 29.615 30.445 -0.830 25931 3114 1 17 . 1 1 432 432 ARG H H 432 8.403 8.403 8.018 0.385 25931 3115 1 17 . 1 1 433 433 SER N N 433 117.709 117.709 113.243 4.466 25931 3116 1 17 . 1 1 433 433 SER C C 433 174.350 174.350 173.949 0.401 25931 3117 1 17 . 1 1 433 433 SER CA C 433 57.970 57.970 56.258 1.712 25931 3118 1 17 . 1 1 433 433 SER CB C 433 63.389 63.389 63.872 -0.483 25931 3119 1 17 . 1 1 433 433 SER H H 433 8.219 8.219 7.635 0.584 25931 3120 1 17 . 1 1 434 434 TRP N N 434 122.436 122.436 125.186 -2.750 25931 3121 1 17 . 1 1 434 434 TRP C C 434 175.682 175.682 176.852 -1.170 25931 3122 1 17 . 1 1 434 434 TRP CA C 434 56.945 56.945 58.563 -1.618 25931 3123 1 17 . 1 1 434 434 TRP CB C 434 28.749 28.749 29.719 -0.970 25931 3124 1 17 . 1 1 434 434 TRP H H 434 8.143 8.143 8.390 -0.247 25931 3125 1 17 . 1 1 435 435 ASP N N 435 119.681 119.681 119.080 0.601 25931 3126 1 17 . 1 1 435 435 ASP C C 435 175.734 175.734 175.962 -0.228 25931 3127 1 17 . 1 1 435 435 ASP CA C 435 53.097 53.097 53.614 -0.517 25931 3128 1 17 . 1 1 435 435 ASP CB C 435 38.446 38.446 41.559 -3.113 25931 3129 1 17 . 1 1 435 435 ASP H H 435 8.107 8.107 7.840 0.267 25931 3130 1 17 . 1 1 436 436 THR N N 436 113.878 113.878 116.411 -2.533 25931 3131 1 17 . 1 1 436 436 THR C C 436 174.841 174.841 175.434 -0.593 25931 3132 1 17 . 1 1 436 436 THR CA C 436 62.342 62.342 60.726 1.616 25931 3133 1 17 . 1 1 436 436 THR CB C 436 68.789 68.789 70.619 -1.830 25931 3134 1 17 . 1 1 436 436 THR H H 436 7.890 7.890 7.972 -0.082 25931 3135 1 17 . 1 1 437 437 GLU N N 437 121.040 121.040 120.694 0.346 25931 3136 1 17 . 1 1 437 437 GLU C C 437 176.085 176.085 178.652 -2.567 25931 3137 1 17 . 1 1 437 437 GLU CA C 437 56.271 56.271 59.475 -3.204 25931 3138 1 17 . 1 1 437 437 GLU CB C 437 27.760 27.760 29.495 -1.735 25931 3139 1 17 . 1 1 437 437 GLU H H 437 8.178 8.178 8.910 -0.732 25931 3140 1 17 . 1 1 438 438 SER N N 438 115.041 115.041 115.880 -0.839 25931 3141 1 17 . 1 1 438 438 SER C C 438 174.622 174.622 175.925 -1.303 25931 3142 1 17 . 1 1 438 438 SER CA C 438 58.337 58.337 61.418 -3.081 25931 3143 1 17 . 1 1 438 438 SER CB C 438 63.257 63.257 63.017 0.240 25931 3144 1 17 . 1 1 438 438 SER H H 438 8.014 8.014 8.491 -0.477 25931 3145 1 17 . 1 1 439 439 VAL N N 439 119.164 119.164 116.705 2.459 25931 3146 1 17 . 1 1 439 439 VAL C C 439 175.866 175.866 175.557 0.309 25931 3147 1 17 . 1 1 439 439 VAL CA C 439 62.223 62.223 64.530 -2.307 25931 3148 1 17 . 1 1 439 439 VAL CB C 439 31.602 31.602 32.295 -0.693 25931 3149 1 17 . 1 1 439 439 VAL H H 439 7.867 7.867 7.511 0.356 25931 3150 1 17 . 1 1 440 440 LEU N N 440 122.292 122.292 122.160 0.132 25931 3151 1 17 . 1 1 440 440 LEU CA C 440 54.619 54.619 52.366 2.253 25931 3152 1 17 . 1 1 440 440 LEU CB C 440 31.602 31.602 43.310 -11.708 25931 3153 1 17 . 1 1 440 440 LEU H H 440 7.951 7.951 7.570 0.381 25931 3154 1 17 . 1 1 442 442 MET C C 442 178.354 178.354 178.240 0.114 25931 3155 1 17 . 1 1 443 443 TRP N N 443 117.586 117.586 118.539 -0.953 25931 3156 1 17 . 1 1 443 443 TRP CA C 443 59.593 59.593 59.801 -0.208 25931 3157 1 17 . 1 1 443 443 TRP CB C 443 28.461 28.461 27.920 0.541 25931 3158 1 17 . 1 1 443 443 TRP H H 443 8.163 8.163 7.982 0.181 25931 3159 1 17 . 1 1 444 444 VAL C C 444 177.425 177.425 177.854 -0.429 25931 3160 1 17 . 1 1 444 444 VAL CA C 444 65.850 65.850 65.550 0.300 25931 3161 1 17 . 1 1 445 445 LEU N N 445 119.396 119.396 119.424 -0.028 25931 3162 1 17 . 1 1 445 445 LEU C C 445 178.275 178.275 178.751 -0.476 25931 3163 1 17 . 1 1 445 445 LEU CA C 445 57.792 57.792 57.850 -0.058 25931 3164 1 17 . 1 1 445 445 LEU CB C 445 40.192 40.192 41.299 -1.107 25931 3165 1 17 . 1 1 445 445 LEU H H 445 7.598 7.598 7.466 0.132 25931 3166 1 17 . 1 1 446 446 ALA N N 446 119.287 119.287 121.950 -2.663 25931 3167 1 17 . 1 1 446 446 ALA C C 446 178.827 178.827 179.744 -0.917 25931 3168 1 17 . 1 1 446 446 ALA CA C 446 55.134 55.134 55.100 0.034 25931 3169 1 17 . 1 1 446 446 ALA CB C 446 17.032 17.032 18.193 -1.161 25931 3170 1 17 . 1 1 446 446 ALA H H 446 8.360 8.360 7.906 0.454 25931 3171 1 17 . 1 1 447 447 LEU N N 447 117.101 117.101 119.178 -2.077 25931 3172 1 17 . 1 1 447 447 LEU C C 447 178.564 178.564 179.117 -0.553 25931 3173 1 17 . 1 1 447 447 LEU CA C 447 57.818 57.818 57.813 0.005 25931 3174 1 17 . 1 1 447 447 LEU CB C 447 40.615 40.615 41.975 -1.360 25931 3175 1 17 . 1 1 447 447 LEU H H 447 7.906 7.906 7.763 0.143 25931 3176 1 17 . 1 1 448 448 ILE N N 448 118.874 118.874 119.178 -0.304 25931 3177 1 17 . 1 1 448 448 ILE C C 448 177.504 177.504 178.035 -0.531 25931 3178 1 17 . 1 1 448 448 ILE CA C 448 65.667 65.667 65.567 0.100 25931 3179 1 17 . 1 1 448 448 ILE CB C 448 36.492 36.492 37.859 -1.367 25931 3180 1 17 . 1 1 448 448 ILE H H 448 8.206 8.206 7.699 0.507 25931 3181 1 17 . 1 1 449 449 VAL N N 449 118.932 118.932 118.166 0.766 25931 3182 1 17 . 1 1 449 449 VAL C C 449 179.107 179.107 178.115 0.992 25931 3183 1 17 . 1 1 449 449 VAL CA C 449 66.917 66.917 66.237 0.680 25931 3184 1 17 . 1 1 449 449 VAL CB C 449 30.226 30.226 31.143 -0.917 25931 3185 1 17 . 1 1 449 449 VAL H H 449 8.271 8.271 7.670 0.602 25931 3186 1 17 . 1 1 450 450 ILE N N 450 123.013 123.013 121.445 1.568 25931 3187 1 17 . 1 1 450 450 ILE C C 450 177.092 177.092 178.060 -0.968 25931 3188 1 17 . 1 1 450 450 ILE CA C 450 65.594 65.594 62.995 2.599 25931 3189 1 17 . 1 1 450 450 ILE CB C 450 36.594 36.594 36.091 0.503 25931 3190 1 17 . 1 1 450 450 ILE H H 450 8.603 8.603 7.489 1.114 25931 3191 1 17 . 1 1 451 451 PHE N N 451 119.352 119.352 119.244 0.108 25931 3192 1 17 . 1 1 451 451 PHE C C 451 177.408 177.408 178.409 -1.001 25931 3193 1 17 . 1 1 451 451 PHE CA C 451 61.389 61.389 62.383 -0.994 25931 3194 1 17 . 1 1 451 451 PHE CB C 451 37.970 37.970 38.158 -0.188 25931 3195 1 17 . 1 1 451 451 PHE H H 451 8.630 8.630 7.623 1.007 25931 3196 1 17 . 1 1 452 452 LEU N N 452 118.462 118.462 119.219 -0.757 25931 3197 1 17 . 1 1 452 452 LEU C C 452 177.959 177.959 179.255 -1.296 25931 3198 1 17 . 1 1 452 452 LEU CA C 452 57.606 57.606 57.998 -0.392 25931 3199 1 17 . 1 1 452 452 LEU CB C 452 40.924 40.924 40.634 0.290 25931 3200 1 17 . 1 1 452 452 LEU H H 452 8.732 8.732 7.830 0.902 25931 3201 1 17 . 1 1 453 453 THR N N 453 116.076 116.076 116.781 -0.705 25931 3202 1 17 . 1 1 453 453 THR C C 453 176.199 176.199 176.906 -0.707 25931 3203 1 17 . 1 1 453 453 THR CA C 453 67.919 67.919 67.196 0.723 25931 3204 1 17 . 1 1 453 453 THR CB C 453 67.006 67.006 68.448 -1.442 25931 3205 1 17 . 1 1 453 453 THR H H 453 8.107 8.107 8.196 -0.089 25931 3206 1 17 . 1 1 454 454 ILE N N 454 120.174 120.174 121.070 -0.896 25931 3207 1 17 . 1 1 454 454 ILE C C 454 176.934 176.934 177.398 -0.464 25931 3208 1 17 . 1 1 454 454 ILE CA C 454 65.145 65.145 65.369 -0.224 25931 3209 1 17 . 1 1 454 454 ILE CB C 454 36.595 36.595 37.512 -0.917 25931 3210 1 17 . 1 1 454 454 ILE H H 454 8.050 8.050 8.201 -0.151 25931 3211 1 17 . 1 1 455 455 ALA N N 455 121.197 121.197 122.627 -1.430 25931 3212 1 17 . 1 1 455 455 ALA C C 455 178.897 178.897 179.662 -0.765 25931 3213 1 17 . 1 1 455 455 ALA CA C 455 55.346 55.346 55.388 -0.042 25931 3214 1 17 . 1 1 455 455 ALA CB C 455 17.074 17.074 17.999 -0.925 25931 3215 1 17 . 1 1 455 455 ALA H H 455 8.255 8.255 7.809 0.446 25931 3216 1 17 . 1 1 456 456 VAL N N 456 116.760 116.760 119.127 -2.367 25931 3217 1 17 . 1 1 456 456 VAL C C 456 177.513 177.513 177.930 -0.417 25931 3218 1 17 . 1 1 456 456 VAL CA C 456 66.494 66.494 66.703 -0.209 25931 3219 1 17 . 1 1 456 456 VAL CB C 456 30.226 30.226 31.774 -1.548 25931 3220 1 17 . 1 1 456 456 VAL H H 456 8.215 8.215 7.606 0.609 25931 3221 1 17 . 1 1 457 457 LEU N N 457 119.491 119.491 120.035 -0.544 25931 3222 1 17 . 1 1 457 457 LEU C C 457 179.589 179.589 179.148 0.441 25931 3223 1 17 . 1 1 457 457 LEU CA C 457 58.056 58.056 57.963 0.093 25931 3224 1 17 . 1 1 457 457 LEU CB C 457 40.414 40.414 41.596 -1.182 25931 3225 1 17 . 1 1 457 457 LEU H H 457 8.157 8.157 7.507 0.650 25931 3226 1 17 . 1 1 458 458 LEU N N 458 118.534 118.534 119.025 -0.491 25931 3227 1 17 . 1 1 458 458 LEU C C 458 178.949 178.949 178.917 0.032 25931 3228 1 17 . 1 1 458 458 LEU CA C 458 57.395 57.395 57.860 -0.465 25931 3229 1 17 . 1 1 458 458 LEU CB C 458 40.615 40.615 41.384 -0.769 25931 3230 1 17 . 1 1 458 458 LEU H H 458 8.562 8.562 8.266 0.296 25931 3231 1 17 . 1 1 459 459 ALA N N 459 122.364 122.364 122.243 0.121 25931 3232 1 17 . 1 1 459 459 ALA C C 459 179.842 179.842 179.854 -0.012 25931 3233 1 17 . 1 1 459 459 ALA CA C 459 55.173 55.173 55.181 -0.008 25931 3234 1 17 . 1 1 459 459 ALA CB C 459 17.083 17.083 18.131 -1.048 25931 3235 1 17 . 1 1 459 459 ALA H H 459 8.403 8.403 8.064 0.339 25931 3236 1 17 . 1 1 460 460 LEU N N 460 118.056 118.056 119.051 -0.995 25931 3237 1 17 . 1 1 460 460 LEU C C 460 179.308 179.308 179.253 0.055 25931 3238 1 17 . 1 1 460 460 LEU CA C 460 57.673 57.673 57.609 0.064 25931 3239 1 17 . 1 1 460 460 LEU CB C 460 40.414 40.414 41.539 -1.125 25931 3240 1 17 . 1 1 460 460 LEU H H 460 8.530 8.530 7.899 0.631 25931 3241 1 17 . 1 1 461 461 ARG N N 461 119.570 119.570 119.701 -0.131 25931 3242 1 17 . 1 1 461 461 ARG C C 461 178.608 178.608 178.730 -0.122 25931 3243 1 17 . 1 1 461 461 ARG CA C 461 57.818 57.818 59.200 -1.382 25931 3244 1 17 . 1 1 461 461 ARG CB C 461 28.607 28.607 29.849 -1.242 25931 3245 1 17 . 1 1 461 461 ARG H H 461 8.051 8.051 7.568 0.483 25931 3246 1 17 . 1 1 462 462 PHE N N 462 118.758 118.758 120.262 -1.504 25931 3247 1 17 . 1 1 462 462 PHE C C 462 177.180 177.180 178.262 -1.082 25931 3248 1 17 . 1 1 462 462 PHE CA C 462 60.701 60.701 61.450 -0.749 25931 3249 1 17 . 1 1 462 462 PHE CB C 462 38.530 38.530 39.076 -0.546 25931 3250 1 17 . 1 1 462 462 PHE H H 462 8.463 8.463 8.000 0.463 25931 3251 1 17 . 1 1 463 463 CYS N N 463 116.550 116.550 118.382 -1.832 25931 3252 1 17 . 1 1 463 463 CYS C C 463 176.092 176.092 177.172 -1.080 25931 3253 1 17 . 1 1 463 463 CYS CA C 463 62.129 62.129 62.663 -0.534 25931 3254 1 17 . 1 1 463 463 CYS CB C 463 26.966 26.966 26.896 0.070 25931 3255 1 17 . 1 1 463 463 CYS H H 463 8.317 8.317 8.355 -0.038 25931 3256 1 17 . 1 1 464 464 GLY N N 464 107.731 107.731 109.357 -1.626 25931 3257 1 17 . 1 1 464 464 GLY C C 464 174.972 174.972 175.775 -0.803 25931 3258 1 17 . 1 1 464 464 GLY CA C 464 46.074 46.074 47.098 -1.024 25931 3259 1 17 . 1 1 464 464 GLY H H 464 8.079 8.079 8.493 -0.414 25931 3260 1 17 . 1 1 465 465 ILE N N 465 120.035 120.035 120.326 -0.291 25931 3261 1 17 . 1 1 465 465 ILE C C 465 176.563 176.563 177.355 -0.792 25931 3262 1 17 . 1 1 465 465 ILE CA C 465 62.500 62.500 62.954 -0.454 25931 3263 1 17 . 1 1 465 465 ILE CB C 465 37.409 37.409 36.737 0.672 25931 3264 1 17 . 1 1 465 465 ILE H H 465 7.771 7.771 7.472 0.299 25931 3265 1 17 . 1 1 466 466 TYR N N 466 118.754 118.754 117.348 1.406 25931 3266 1 17 . 1 1 466 466 TYR C C 466 176.313 176.313 176.862 -0.549 25931 3267 1 17 . 1 1 466 466 TYR CA C 466 58.506 58.506 59.576 -1.070 25931 3268 1 17 . 1 1 466 466 TYR CB C 466 37.917 37.917 38.639 -0.722 25931 3269 1 17 . 1 1 466 466 TYR H H 466 7.830 7.830 7.612 0.218 25931 3270 1 17 . 1 1 467 467 GLY N N 467 108.001 108.001 104.570 3.431 25931 3271 1 17 . 1 1 467 467 GLY C C 467 174.271 174.271 174.472 -0.201 25931 3272 1 17 . 1 1 467 467 GLY CA C 467 45.624 45.624 44.883 0.741 25931 3273 1 17 . 1 1 467 467 GLY H H 467 7.912 7.912 7.690 0.222 25931 3274 1 17 . 1 1 468 468 TYR N N 468 119.906 119.906 119.232 0.674 25931 3275 1 17 . 1 1 468 468 TYR C C 468 175.743 175.743 174.332 1.411 25931 3276 1 17 . 1 1 468 468 TYR CA C 468 58.268 58.268 58.550 -0.282 25931 3277 1 17 . 1 1 468 468 TYR CB C 468 37.613 37.613 38.662 -1.049 25931 3278 1 17 . 1 1 468 468 TYR H H 468 7.891 7.891 8.041 -0.150 25931 3279 1 17 . 1 1 469 469 ARG N N 469 120.994 120.994 126.680 -5.686 25931 3280 1 17 . 1 1 469 469 ARG C C 469 175.945 175.945 174.836 1.109 25931 3281 1 17 . 1 1 469 469 ARG CA C 469 55.536 55.536 55.240 0.296 25931 3282 1 17 . 1 1 469 469 ARG CB C 469 30.035 30.035 30.945 -0.910 25931 3283 1 17 . 1 1 469 469 ARG H H 469 7.868 7.868 7.973 -0.105 25931 3284 1 17 . 1 1 470 470 LEU N N 470 121.404 121.404 124.995 -3.591 25931 3285 1 17 . 1 1 470 470 LEU C C 470 176.689 176.689 177.084 -0.395 25931 3286 1 17 . 1 1 470 470 LEU CA C 470 54.908 54.908 53.977 0.931 25931 3287 1 17 . 1 1 470 470 LEU CB C 470 41.077 41.077 42.941 -1.864 25931 3288 1 17 . 1 1 470 470 LEU H H 470 7.906 7.906 8.428 -0.522 25931 3289 1 17 . 1 1 471 471 ARG N N 471 120.513 120.513 122.924 -2.411 25931 3290 1 17 . 1 1 471 471 ARG C C 471 175.778 175.778 177.382 -1.604 25931 3291 1 17 . 1 1 471 471 ARG CA C 471 55.358 55.358 58.340 -2.982 25931 3292 1 17 . 1 1 471 471 ARG CB C 471 29.982 29.982 30.309 -0.327 25931 3293 1 17 . 1 1 471 471 ARG H H 471 7.902 7.902 8.649 -0.747 25931 3294 1 17 . 1 1 472 472 ARG N N 472 122.770 122.770 119.554 3.216 25931 3295 1 17 . 1 1 472 472 ARG C C 472 175.428 175.428 176.581 -1.153 25931 3296 1 17 . 1 1 472 472 ARG CA C 472 55.596 55.596 57.127 -1.531 25931 3297 1 17 . 1 1 472 472 ARG CB C 472 29.982 29.982 30.180 -0.198 25931 3298 1 17 . 1 1 472 472 ARG H H 472 8.220 8.220 8.181 0.039 25931 3299 1 18 . 1 1 431 431 LYS N N 431 121.472 121.472 122.329 -0.857 25931 3300 1 18 . 1 1 431 431 LYS C C 431 176.470 176.470 175.315 1.155 25931 3301 1 18 . 1 1 431 431 LYS CA C 431 56.046 56.046 55.984 0.062 25931 3302 1 18 . 1 1 431 431 LYS CB C 431 32.213 32.213 33.621 -1.408 25931 3303 1 18 . 1 1 431 431 LYS H H 431 8.503 8.503 8.280 0.223 25931 3304 1 18 . 1 1 432 432 ARG N N 432 122.845 122.845 121.788 1.057 25931 3305 1 18 . 1 1 432 432 ARG C C 432 176.155 176.155 176.233 -0.078 25931 3306 1 18 . 1 1 432 432 ARG CA C 432 55.385 55.385 55.767 -0.382 25931 3307 1 18 . 1 1 432 432 ARG CB C 432 29.615 29.615 31.964 -2.349 25931 3308 1 18 . 1 1 432 432 ARG H H 432 8.403 8.403 8.706 -0.303 25931 3309 1 18 . 1 1 433 433 SER N N 433 117.709 117.709 116.492 1.217 25931 3310 1 18 . 1 1 433 433 SER C C 433 174.350 174.350 174.690 -0.340 25931 3311 1 18 . 1 1 433 433 SER CA C 433 57.970 57.970 59.418 -1.448 25931 3312 1 18 . 1 1 433 433 SER CB C 433 63.389 63.389 62.606 0.783 25931 3313 1 18 . 1 1 433 433 SER H H 433 8.219 8.219 8.831 -0.612 25931 3314 1 18 . 1 1 434 434 TRP N N 434 122.436 122.436 122.089 0.347 25931 3315 1 18 . 1 1 434 434 TRP C C 434 175.682 175.682 175.842 -0.160 25931 3316 1 18 . 1 1 434 434 TRP CA C 434 56.945 56.945 58.830 -1.885 25931 3317 1 18 . 1 1 434 434 TRP CB C 434 28.749 28.749 29.393 -0.644 25931 3318 1 18 . 1 1 434 434 TRP H H 434 8.143 8.143 8.136 0.007 25931 3319 1 18 . 1 1 435 435 ASP N N 435 119.681 119.681 119.270 0.411 25931 3320 1 18 . 1 1 435 435 ASP C C 435 175.734 175.734 175.041 0.693 25931 3321 1 18 . 1 1 435 435 ASP CA C 435 53.097 53.097 55.318 -2.221 25931 3322 1 18 . 1 1 435 435 ASP CB C 435 38.446 38.446 40.969 -2.523 25931 3323 1 18 . 1 1 435 435 ASP H H 435 8.107 8.107 7.991 0.116 25931 3324 1 18 . 1 1 436 436 THR N N 436 113.878 113.878 115.062 -1.184 25931 3325 1 18 . 1 1 436 436 THR C C 436 174.841 174.841 173.751 1.090 25931 3326 1 18 . 1 1 436 436 THR CA C 436 62.342 62.342 60.617 1.725 25931 3327 1 18 . 1 1 436 436 THR CB C 436 68.789 68.789 70.638 -1.849 25931 3328 1 18 . 1 1 436 436 THR H H 436 7.890 7.890 7.673 0.217 25931 3329 1 18 . 1 1 437 437 GLU N N 437 121.040 121.040 123.826 -2.786 25931 3330 1 18 . 1 1 437 437 GLU C C 437 176.085 176.085 175.584 0.501 25931 3331 1 18 . 1 1 437 437 GLU CA C 437 56.271 56.271 56.988 -0.717 25931 3332 1 18 . 1 1 437 437 GLU CB C 437 27.760 27.760 30.187 -2.427 25931 3333 1 18 . 1 1 437 437 GLU H H 437 8.178 8.178 8.542 -0.364 25931 3334 1 18 . 1 1 438 438 SER N N 438 115.041 115.041 117.691 -2.650 25931 3335 1 18 . 1 1 438 438 SER C C 438 174.622 174.622 175.114 -0.492 25931 3336 1 18 . 1 1 438 438 SER CA C 438 58.337 58.337 57.422 0.915 25931 3337 1 18 . 1 1 438 438 SER CB C 438 63.257 63.257 65.116 -1.859 25931 3338 1 18 . 1 1 438 438 SER H H 438 8.014 8.014 8.057 -0.043 25931 3339 1 18 . 1 1 439 439 VAL N N 439 119.164 119.164 120.770 -1.606 25931 3340 1 18 . 1 1 439 439 VAL C C 439 175.866 175.866 175.477 0.389 25931 3341 1 18 . 1 1 439 439 VAL CA C 439 62.223 62.223 63.604 -1.381 25931 3342 1 18 . 1 1 439 439 VAL CB C 439 31.602 31.602 31.826 -0.224 25931 3343 1 18 . 1 1 439 439 VAL H H 439 7.867 7.867 8.595 -0.728 25931 3344 1 18 . 1 1 440 440 LEU N N 440 122.292 122.292 124.238 -1.946 25931 3345 1 18 . 1 1 440 440 LEU CA C 440 54.619 54.619 55.421 -0.802 25931 3346 1 18 . 1 1 440 440 LEU CB C 440 31.602 31.602 41.473 -9.871 25931 3347 1 18 . 1 1 440 440 LEU H H 440 7.951 7.951 8.151 -0.200 25931 3348 1 18 . 1 1 442 442 MET C C 442 178.354 178.354 178.179 0.175 25931 3349 1 18 . 1 1 443 443 TRP N N 443 117.586 117.586 118.834 -1.248 25931 3350 1 18 . 1 1 443 443 TRP CA C 443 59.593 59.593 59.696 -0.103 25931 3351 1 18 . 1 1 443 443 TRP CB C 443 28.461 28.461 27.767 0.694 25931 3352 1 18 . 1 1 443 443 TRP H H 443 8.163 8.163 7.899 0.264 25931 3353 1 18 . 1 1 444 444 VAL C C 444 177.425 177.425 177.917 -0.492 25931 3354 1 18 . 1 1 444 444 VAL CA C 444 65.850 65.850 65.416 0.434 25931 3355 1 18 . 1 1 445 445 LEU N N 445 119.396 119.396 120.750 -1.354 25931 3356 1 18 . 1 1 445 445 LEU C C 445 178.275 178.275 178.268 0.007 25931 3357 1 18 . 1 1 445 445 LEU CA C 445 57.792 57.792 57.752 0.040 25931 3358 1 18 . 1 1 445 445 LEU CB C 445 40.192 40.192 41.196 -1.004 25931 3359 1 18 . 1 1 445 445 LEU H H 445 7.598 7.598 7.626 -0.028 25931 3360 1 18 . 1 1 446 446 ALA N N 446 119.287 119.287 121.817 -2.530 25931 3361 1 18 . 1 1 446 446 ALA C C 446 178.827 178.827 179.725 -0.898 25931 3362 1 18 . 1 1 446 446 ALA CA C 446 55.134 55.134 55.154 -0.020 25931 3363 1 18 . 1 1 446 446 ALA CB C 446 17.032 17.032 18.203 -1.171 25931 3364 1 18 . 1 1 446 446 ALA H H 446 8.360 8.360 7.762 0.598 25931 3365 1 18 . 1 1 447 447 LEU N N 447 117.101 117.101 119.543 -2.442 25931 3366 1 18 . 1 1 447 447 LEU C C 447 178.564 178.564 178.995 -0.431 25931 3367 1 18 . 1 1 447 447 LEU CA C 447 57.818 57.818 58.256 -0.438 25931 3368 1 18 . 1 1 447 447 LEU CB C 447 40.615 40.615 41.949 -1.334 25931 3369 1 18 . 1 1 447 447 LEU H H 447 7.906 7.906 7.785 0.121 25931 3370 1 18 . 1 1 448 448 ILE N N 448 118.874 118.874 119.426 -0.552 25931 3371 1 18 . 1 1 448 448 ILE C C 448 177.504 177.504 178.105 -0.601 25931 3372 1 18 . 1 1 448 448 ILE CA C 448 65.667 65.667 65.886 -0.219 25931 3373 1 18 . 1 1 448 448 ILE CB C 448 36.492 36.492 37.803 -1.310 25931 3374 1 18 . 1 1 448 448 ILE H H 448 8.206 8.206 7.582 0.624 25931 3375 1 18 . 1 1 449 449 VAL N N 449 118.932 118.932 119.898 -0.966 25931 3376 1 18 . 1 1 449 449 VAL C C 449 179.107 179.107 178.428 0.679 25931 3377 1 18 . 1 1 449 449 VAL CA C 449 66.917 66.917 66.993 -0.076 25931 3378 1 18 . 1 1 449 449 VAL CB C 449 30.226 30.226 31.742 -1.516 25931 3379 1 18 . 1 1 449 449 VAL H H 449 8.271 8.271 7.576 0.695 25931 3380 1 18 . 1 1 450 450 ILE N N 450 123.013 123.013 120.686 2.327 25931 3381 1 18 . 1 1 450 450 ILE C C 450 177.092 177.092 177.911 -0.819 25931 3382 1 18 . 1 1 450 450 ILE CA C 450 65.594 65.594 65.050 0.544 25931 3383 1 18 . 1 1 450 450 ILE CB C 450 36.594 36.594 37.748 -1.154 25931 3384 1 18 . 1 1 450 450 ILE H H 450 8.603 8.603 7.560 1.043 25931 3385 1 18 . 1 1 451 451 PHE N N 451 119.352 119.352 118.770 0.582 25931 3386 1 18 . 1 1 451 451 PHE C C 451 177.408 177.408 178.010 -0.602 25931 3387 1 18 . 1 1 451 451 PHE CA C 451 61.389 61.389 62.613 -1.224 25931 3388 1 18 . 1 1 451 451 PHE CB C 451 37.970 37.970 38.275 -0.305 25931 3389 1 18 . 1 1 451 451 PHE H H 451 8.630 8.630 7.673 0.957 25931 3390 1 18 . 1 1 452 452 LEU N N 452 118.462 118.462 119.069 -0.607 25931 3391 1 18 . 1 1 452 452 LEU C C 452 177.959 177.959 178.970 -1.011 25931 3392 1 18 . 1 1 452 452 LEU CA C 452 57.606 57.606 58.010 -0.404 25931 3393 1 18 . 1 1 452 452 LEU CB C 452 40.924 40.924 41.481 -0.557 25931 3394 1 18 . 1 1 452 452 LEU H H 452 8.732 8.732 7.988 0.744 25931 3395 1 18 . 1 1 453 453 THR N N 453 116.076 116.076 116.768 -0.692 25931 3396 1 18 . 1 1 453 453 THR C C 453 176.199 176.199 176.847 -0.648 25931 3397 1 18 . 1 1 453 453 THR CA C 453 67.919 67.919 67.052 0.867 25931 3398 1 18 . 1 1 453 453 THR CB C 453 67.006 67.006 68.657 -1.651 25931 3399 1 18 . 1 1 453 453 THR H H 453 8.107 8.107 8.136 -0.029 25931 3400 1 18 . 1 1 454 454 ILE N N 454 120.174 120.174 121.398 -1.224 25931 3401 1 18 . 1 1 454 454 ILE C C 454 176.934 176.934 177.387 -0.453 25931 3402 1 18 . 1 1 454 454 ILE CA C 454 65.145 65.145 65.193 -0.048 25931 3403 1 18 . 1 1 454 454 ILE CB C 454 36.595 36.595 37.640 -1.045 25931 3404 1 18 . 1 1 454 454 ILE H H 454 8.050 8.050 8.248 -0.198 25931 3405 1 18 . 1 1 455 455 ALA N N 455 121.197 121.197 122.593 -1.396 25931 3406 1 18 . 1 1 455 455 ALA C C 455 178.897 178.897 179.793 -0.896 25931 3407 1 18 . 1 1 455 455 ALA CA C 455 55.346 55.346 55.456 -0.110 25931 3408 1 18 . 1 1 455 455 ALA CB C 455 17.074 17.074 17.972 -0.898 25931 3409 1 18 . 1 1 455 455 ALA H H 455 8.255 8.255 7.817 0.438 25931 3410 1 18 . 1 1 456 456 VAL N N 456 116.760 116.760 118.536 -1.776 25931 3411 1 18 . 1 1 456 456 VAL C C 456 177.513 177.513 177.845 -0.332 25931 3412 1 18 . 1 1 456 456 VAL CA C 456 66.494 66.494 66.828 -0.334 25931 3413 1 18 . 1 1 456 456 VAL CB C 456 30.226 30.226 31.277 -1.051 25931 3414 1 18 . 1 1 456 456 VAL H H 456 8.215 8.215 7.530 0.685 25931 3415 1 18 . 1 1 457 457 LEU N N 457 119.491 119.491 120.101 -0.610 25931 3416 1 18 . 1 1 457 457 LEU C C 457 179.589 179.589 179.372 0.217 25931 3417 1 18 . 1 1 457 457 LEU CA C 457 58.056 58.056 58.302 -0.246 25931 3418 1 18 . 1 1 457 457 LEU CB C 457 40.414 40.414 41.445 -1.031 25931 3419 1 18 . 1 1 457 457 LEU H H 457 8.157 8.157 7.246 0.911 25931 3420 1 18 . 1 1 458 458 LEU N N 458 118.534 118.534 119.635 -1.101 25931 3421 1 18 . 1 1 458 458 LEU C C 458 178.949 178.949 178.880 0.069 25931 3422 1 18 . 1 1 458 458 LEU CA C 458 57.395 57.395 58.220 -0.825 25931 3423 1 18 . 1 1 458 458 LEU CB C 458 40.615 40.615 41.005 -0.390 25931 3424 1 18 . 1 1 458 458 LEU H H 458 8.562 8.562 8.044 0.518 25931 3425 1 18 . 1 1 459 459 ALA N N 459 122.364 122.364 122.136 0.228 25931 3426 1 18 . 1 1 459 459 ALA C C 459 179.842 179.842 180.013 -0.171 25931 3427 1 18 . 1 1 459 459 ALA CA C 459 55.173 55.173 55.139 0.034 25931 3428 1 18 . 1 1 459 459 ALA CB C 459 17.083 17.083 18.099 -1.016 25931 3429 1 18 . 1 1 459 459 ALA H H 459 8.403 8.403 8.011 0.392 25931 3430 1 18 . 1 1 460 460 LEU N N 460 118.056 118.056 119.039 -0.983 25931 3431 1 18 . 1 1 460 460 LEU C C 460 179.308 179.308 179.252 0.056 25931 3432 1 18 . 1 1 460 460 LEU CA C 460 57.673 57.673 57.597 0.076 25931 3433 1 18 . 1 1 460 460 LEU CB C 460 40.414 40.414 41.565 -1.151 25931 3434 1 18 . 1 1 460 460 LEU H H 460 8.530 8.530 7.971 0.559 25931 3435 1 18 . 1 1 461 461 ARG N N 461 119.570 119.570 119.717 -0.147 25931 3436 1 18 . 1 1 461 461 ARG C C 461 178.608 178.608 178.744 -0.136 25931 3437 1 18 . 1 1 461 461 ARG CA C 461 57.818 57.818 59.202 -1.384 25931 3438 1 18 . 1 1 461 461 ARG CB C 461 28.607 28.607 29.839 -1.232 25931 3439 1 18 . 1 1 461 461 ARG H H 461 8.051 8.051 7.614 0.436 25931 3440 1 18 . 1 1 462 462 PHE N N 462 118.758 118.758 119.978 -1.220 25931 3441 1 18 . 1 1 462 462 PHE C C 462 177.180 177.180 178.228 -1.048 25931 3442 1 18 . 1 1 462 462 PHE CA C 462 60.701 60.701 61.402 -0.701 25931 3443 1 18 . 1 1 462 462 PHE CB C 462 38.530 38.530 39.072 -0.542 25931 3444 1 18 . 1 1 462 462 PHE H H 462 8.463 8.463 7.919 0.544 25931 3445 1 18 . 1 1 463 463 CYS N N 463 116.550 116.550 118.203 -1.653 25931 3446 1 18 . 1 1 463 463 CYS C C 463 176.092 176.092 177.068 -0.976 25931 3447 1 18 . 1 1 463 463 CYS CA C 463 62.129 62.129 63.923 -1.794 25931 3448 1 18 . 1 1 463 463 CYS CB C 463 26.966 26.966 27.412 -0.446 25931 3449 1 18 . 1 1 463 463 CYS H H 463 8.317 8.317 8.228 0.089 25931 3450 1 18 . 1 1 464 464 GLY N N 464 107.731 107.731 108.979 -1.248 25931 3451 1 18 . 1 1 464 464 GLY C C 464 174.972 174.972 175.448 -0.476 25931 3452 1 18 . 1 1 464 464 GLY CA C 464 46.074 46.074 46.966 -0.892 25931 3453 1 18 . 1 1 464 464 GLY H H 464 8.079 8.079 8.392 -0.313 25931 3454 1 18 . 1 1 465 465 ILE N N 465 120.035 120.035 120.508 -0.473 25931 3455 1 18 . 1 1 465 465 ILE C C 465 176.563 176.563 177.159 -0.596 25931 3456 1 18 . 1 1 465 465 ILE CA C 465 62.500 62.500 63.944 -1.444 25931 3457 1 18 . 1 1 465 465 ILE CB C 465 37.409 37.409 37.809 -0.400 25931 3458 1 18 . 1 1 465 465 ILE H H 465 7.771 7.771 7.427 0.344 25931 3459 1 18 . 1 1 466 466 TYR N N 466 118.754 118.754 118.534 0.220 25931 3460 1 18 . 1 1 466 466 TYR C C 466 176.313 176.313 176.654 -0.341 25931 3461 1 18 . 1 1 466 466 TYR CA C 466 58.506 58.506 59.911 -1.405 25931 3462 1 18 . 1 1 466 466 TYR CB C 466 37.917 37.917 38.405 -0.488 25931 3463 1 18 . 1 1 466 466 TYR H H 466 7.830 7.830 7.928 -0.098 25931 3464 1 18 . 1 1 467 467 GLY N N 467 108.001 108.001 104.917 3.084 25931 3465 1 18 . 1 1 467 467 GLY C C 467 174.271 174.271 174.172 0.099 25931 3466 1 18 . 1 1 467 467 GLY CA C 467 45.624 45.624 44.900 0.724 25931 3467 1 18 . 1 1 467 467 GLY H H 467 7.912 7.912 7.420 0.492 25931 3468 1 18 . 1 1 468 468 TYR N N 468 119.906 119.906 120.981 -1.075 25931 3469 1 18 . 1 1 468 468 TYR C C 468 175.743 175.743 175.289 0.454 25931 3470 1 18 . 1 1 468 468 TYR CA C 468 58.268 58.268 58.544 -0.276 25931 3471 1 18 . 1 1 468 468 TYR CB C 468 37.613 37.613 39.154 -1.541 25931 3472 1 18 . 1 1 468 468 TYR H H 468 7.891 7.891 7.653 0.238 25931 3473 1 18 . 1 1 469 469 ARG N N 469 120.994 120.994 127.250 -6.256 25931 3474 1 18 . 1 1 469 469 ARG C C 469 175.945 175.945 174.932 1.013 25931 3475 1 18 . 1 1 469 469 ARG CA C 469 55.536 55.536 55.653 -0.117 25931 3476 1 18 . 1 1 469 469 ARG CB C 469 30.035 30.035 30.535 -0.500 25931 3477 1 18 . 1 1 469 469 ARG H H 469 7.868 7.868 7.743 0.125 25931 3478 1 18 . 1 1 470 470 LEU N N 470 121.404 121.404 123.819 -2.415 25931 3479 1 18 . 1 1 470 470 LEU C C 470 176.689 176.689 176.999 -0.310 25931 3480 1 18 . 1 1 470 470 LEU CA C 470 54.908 54.908 54.602 0.306 25931 3481 1 18 . 1 1 470 470 LEU CB C 470 41.077 41.077 42.691 -1.614 25931 3482 1 18 . 1 1 470 470 LEU H H 470 7.906 7.906 8.250 -0.344 25931 3483 1 18 . 1 1 471 471 ARG N N 471 120.513 120.513 122.650 -2.137 25931 3484 1 18 . 1 1 471 471 ARG C C 471 175.778 175.778 176.479 -0.701 25931 3485 1 18 . 1 1 471 471 ARG CA C 471 55.358 55.358 55.763 -0.405 25931 3486 1 18 . 1 1 471 471 ARG CB C 471 29.982 29.982 30.987 -1.005 25931 3487 1 18 . 1 1 471 471 ARG H H 471 7.902 7.902 8.558 -0.656 25931 3488 1 18 . 1 1 472 472 ARG N N 472 122.770 122.770 124.664 -1.894 25931 3489 1 18 . 1 1 472 472 ARG C C 472 175.428 175.428 176.357 -0.929 25931 3490 1 18 . 1 1 472 472 ARG CA C 472 55.596 55.596 57.953 -2.357 25931 3491 1 18 . 1 1 472 472 ARG CB C 472 29.982 29.982 30.594 -0.612 25931 3492 1 18 . 1 1 472 472 ARG H H 472 8.220 8.220 8.825 -0.605 25931 3493 1 19 . 1 1 431 431 LYS N N 431 121.472 121.472 124.268 -2.796 25931 3494 1 19 . 1 1 431 431 LYS C C 431 176.470 176.470 177.289 -0.819 25931 3495 1 19 . 1 1 431 431 LYS CA C 431 56.046 56.046 58.772 -2.726 25931 3496 1 19 . 1 1 431 431 LYS CB C 431 32.213 32.213 32.645 -0.432 25931 3497 1 19 . 1 1 431 431 LYS H H 431 8.503 8.503 8.742 -0.239 25931 3498 1 19 . 1 1 432 432 ARG N N 432 122.845 122.845 117.606 5.239 25931 3499 1 19 . 1 1 432 432 ARG C C 432 176.155 176.155 177.847 -1.692 25931 3500 1 19 . 1 1 432 432 ARG CA C 432 55.385 55.385 58.185 -2.800 25931 3501 1 19 . 1 1 432 432 ARG CB C 432 29.615 29.615 30.353 -0.738 25931 3502 1 19 . 1 1 432 432 ARG H H 432 8.403 8.403 8.149 0.254 25931 3503 1 19 . 1 1 433 433 SER N N 433 117.709 117.709 113.861 3.848 25931 3504 1 19 . 1 1 433 433 SER C C 433 174.350 174.350 174.542 -0.192 25931 3505 1 19 . 1 1 433 433 SER CA C 433 57.970 57.970 59.468 -1.498 25931 3506 1 19 . 1 1 433 433 SER CB C 433 63.389 63.389 63.051 0.338 25931 3507 1 19 . 1 1 433 433 SER H H 433 8.219 8.219 7.825 0.394 25931 3508 1 19 . 1 1 434 434 TRP N N 434 122.436 122.436 121.849 0.587 25931 3509 1 19 . 1 1 434 434 TRP C C 434 175.682 175.682 175.565 0.117 25931 3510 1 19 . 1 1 434 434 TRP CA C 434 56.945 56.945 56.814 0.131 25931 3511 1 19 . 1 1 434 434 TRP CB C 434 28.749 28.749 30.932 -2.183 25931 3512 1 19 . 1 1 434 434 TRP H H 434 8.143 8.143 7.434 0.709 25931 3513 1 19 . 1 1 435 435 ASP N N 435 119.681 119.681 120.469 -0.788 25931 3514 1 19 . 1 1 435 435 ASP C C 435 175.734 175.734 176.846 -1.112 25931 3515 1 19 . 1 1 435 435 ASP CA C 435 53.097 53.097 56.014 -2.917 25931 3516 1 19 . 1 1 435 435 ASP CB C 435 38.446 38.446 41.302 -2.856 25931 3517 1 19 . 1 1 435 435 ASP H H 435 8.107 8.107 8.663 -0.556 25931 3518 1 19 . 1 1 436 436 THR N N 436 113.878 113.878 110.586 3.292 25931 3519 1 19 . 1 1 436 436 THR C C 436 174.841 174.841 173.412 1.429 25931 3520 1 19 . 1 1 436 436 THR CA C 436 62.342 62.342 60.352 1.990 25931 3521 1 19 . 1 1 436 436 THR CB C 436 68.789 68.789 71.227 -2.438 25931 3522 1 19 . 1 1 436 436 THR H H 436 7.890 7.890 7.581 0.309 25931 3523 1 19 . 1 1 437 437 GLU N N 437 121.040 121.040 121.782 -0.742 25931 3524 1 19 . 1 1 437 437 GLU C C 437 176.085 176.085 176.866 -0.781 25931 3525 1 19 . 1 1 437 437 GLU CA C 437 56.271 56.271 57.096 -0.825 25931 3526 1 19 . 1 1 437 437 GLU CB C 437 27.760 27.760 29.864 -2.104 25931 3527 1 19 . 1 1 437 437 GLU H H 437 8.178 8.178 8.487 -0.309 25931 3528 1 19 . 1 1 438 438 SER N N 438 115.041 115.041 117.758 -2.717 25931 3529 1 19 . 1 1 438 438 SER C C 438 174.622 174.622 175.951 -1.329 25931 3530 1 19 . 1 1 438 438 SER CA C 438 58.337 58.337 57.620 0.717 25931 3531 1 19 . 1 1 438 438 SER CB C 438 63.257 63.257 64.337 -1.080 25931 3532 1 19 . 1 1 438 438 SER H H 438 8.014 8.014 8.212 -0.198 25931 3533 1 19 . 1 1 439 439 VAL N N 439 119.164 119.164 121.343 -2.179 25931 3534 1 19 . 1 1 439 439 VAL C C 439 175.866 175.866 176.026 -0.160 25931 3535 1 19 . 1 1 439 439 VAL CA C 439 62.223 62.223 64.001 -1.778 25931 3536 1 19 . 1 1 439 439 VAL CB C 439 31.602 31.602 31.717 -0.115 25931 3537 1 19 . 1 1 439 439 VAL H H 439 7.867 7.867 8.369 -0.502 25931 3538 1 19 . 1 1 440 440 LEU N N 440 122.292 122.292 123.448 -1.156 25931 3539 1 19 . 1 1 440 440 LEU CA C 440 54.619 54.619 55.535 -0.916 25931 3540 1 19 . 1 1 440 440 LEU CB C 440 31.602 31.602 41.402 -9.800 25931 3541 1 19 . 1 1 440 440 LEU H H 440 7.951 7.951 7.916 0.035 25931 3542 1 19 . 1 1 442 442 MET C C 442 178.354 178.354 177.943 0.411 25931 3543 1 19 . 1 1 443 443 TRP N N 443 117.586 117.586 117.752 -0.166 25931 3544 1 19 . 1 1 443 443 TRP CA C 443 59.593 59.593 58.254 1.339 25931 3545 1 19 . 1 1 443 443 TRP CB C 443 28.461 28.461 28.132 0.329 25931 3546 1 19 . 1 1 443 443 TRP H H 443 8.163 8.163 7.920 0.243 25931 3547 1 19 . 1 1 444 444 VAL C C 444 177.425 177.425 177.165 0.260 25931 3548 1 19 . 1 1 444 444 VAL CA C 444 65.850 65.850 65.622 0.228 25931 3549 1 19 . 1 1 445 445 LEU N N 445 119.396 119.396 120.862 -1.466 25931 3550 1 19 . 1 1 445 445 LEU C C 445 178.275 178.275 177.881 0.394 25931 3551 1 19 . 1 1 445 445 LEU CA C 445 57.792 57.792 57.943 -0.151 25931 3552 1 19 . 1 1 445 445 LEU CB C 445 40.192 40.192 41.131 -0.939 25931 3553 1 19 . 1 1 445 445 LEU H H 445 7.598 7.598 7.489 0.109 25931 3554 1 19 . 1 1 446 446 ALA N N 446 119.287 119.287 121.334 -2.047 25931 3555 1 19 . 1 1 446 446 ALA C C 446 178.827 178.827 179.954 -1.127 25931 3556 1 19 . 1 1 446 446 ALA CA C 446 55.134 55.134 55.037 0.097 25931 3557 1 19 . 1 1 446 446 ALA CB C 446 17.032 17.032 18.061 -1.029 25931 3558 1 19 . 1 1 446 446 ALA H H 446 8.360 8.360 7.393 0.967 25931 3559 1 19 . 1 1 447 447 LEU N N 447 117.101 117.101 119.175 -2.074 25931 3560 1 19 . 1 1 447 447 LEU C C 447 178.564 178.564 179.282 -0.718 25931 3561 1 19 . 1 1 447 447 LEU CA C 447 57.818 57.818 58.035 -0.217 25931 3562 1 19 . 1 1 447 447 LEU CB C 447 40.615 40.615 41.315 -0.700 25931 3563 1 19 . 1 1 447 447 LEU H H 447 7.906 7.906 7.679 0.227 25931 3564 1 19 . 1 1 448 448 ILE N N 448 118.874 118.874 119.741 -0.867 25931 3565 1 19 . 1 1 448 448 ILE C C 448 177.504 177.504 178.242 -0.738 25931 3566 1 19 . 1 1 448 448 ILE CA C 448 65.667 65.667 65.772 -0.105 25931 3567 1 19 . 1 1 448 448 ILE CB C 448 36.492 36.492 37.770 -1.278 25931 3568 1 19 . 1 1 448 448 ILE H H 448 8.206 8.206 7.727 0.479 25931 3569 1 19 . 1 1 449 449 VAL N N 449 118.932 118.932 120.030 -1.098 25931 3570 1 19 . 1 1 449 449 VAL C C 449 179.107 179.107 178.048 1.059 25931 3571 1 19 . 1 1 449 449 VAL CA C 449 66.917 66.917 66.889 0.028 25931 3572 1 19 . 1 1 449 449 VAL CB C 449 30.226 30.226 31.210 -0.984 25931 3573 1 19 . 1 1 449 449 VAL H H 449 8.271 8.271 7.679 0.592 25931 3574 1 19 . 1 1 450 450 ILE N N 450 123.013 123.013 120.443 2.570 25931 3575 1 19 . 1 1 450 450 ILE C C 450 177.092 177.092 177.708 -0.616 25931 3576 1 19 . 1 1 450 450 ILE CA C 450 65.594 65.594 65.416 0.178 25931 3577 1 19 . 1 1 450 450 ILE CB C 450 36.594 36.594 37.588 -0.994 25931 3578 1 19 . 1 1 450 450 ILE H H 450 8.603 8.603 7.553 1.050 25931 3579 1 19 . 1 1 451 451 PHE N N 451 119.352 119.352 118.949 0.403 25931 3580 1 19 . 1 1 451 451 PHE C C 451 177.408 177.408 178.032 -0.624 25931 3581 1 19 . 1 1 451 451 PHE CA C 451 61.389 61.389 62.613 -1.224 25931 3582 1 19 . 1 1 451 451 PHE CB C 451 37.970 37.970 38.303 -0.333 25931 3583 1 19 . 1 1 451 451 PHE H H 451 8.630 8.630 7.768 0.862 25931 3584 1 19 . 1 1 452 452 LEU N N 452 118.462 118.462 119.210 -0.748 25931 3585 1 19 . 1 1 452 452 LEU C C 452 177.959 177.959 179.046 -1.087 25931 3586 1 19 . 1 1 452 452 LEU CA C 452 57.606 57.606 58.110 -0.504 25931 3587 1 19 . 1 1 452 452 LEU CB C 452 40.924 40.924 41.455 -0.531 25931 3588 1 19 . 1 1 452 452 LEU H H 452 8.732 8.732 8.349 0.383 25931 3589 1 19 . 1 1 453 453 THR N N 453 116.076 116.076 116.540 -0.464 25931 3590 1 19 . 1 1 453 453 THR C C 453 176.199 176.199 176.827 -0.628 25931 3591 1 19 . 1 1 453 453 THR CA C 453 67.919 67.919 66.590 1.329 25931 3592 1 19 . 1 1 453 453 THR CB C 453 67.006 67.006 68.386 -1.380 25931 3593 1 19 . 1 1 453 453 THR H H 453 8.107 8.107 8.297 -0.190 25931 3594 1 19 . 1 1 454 454 ILE N N 454 120.174 120.174 120.766 -0.592 25931 3595 1 19 . 1 1 454 454 ILE C C 454 176.934 176.934 177.804 -0.870 25931 3596 1 19 . 1 1 454 454 ILE CA C 454 65.145 65.145 63.348 1.797 25931 3597 1 19 . 1 1 454 454 ILE CB C 454 36.595 36.595 36.627 -0.032 25931 3598 1 19 . 1 1 454 454 ILE H H 454 8.050 8.050 8.413 -0.363 25931 3599 1 19 . 1 1 455 455 ALA N N 455 121.197 121.197 122.942 -1.745 25931 3600 1 19 . 1 1 455 455 ALA C C 455 178.897 178.897 179.987 -1.090 25931 3601 1 19 . 1 1 455 455 ALA CA C 455 55.346 55.346 55.513 -0.167 25931 3602 1 19 . 1 1 455 455 ALA CB C 455 17.074 17.074 18.159 -1.085 25931 3603 1 19 . 1 1 455 455 ALA H H 455 8.255 8.255 7.953 0.302 25931 3604 1 19 . 1 1 456 456 VAL N N 456 116.760 116.760 119.058 -2.298 25931 3605 1 19 . 1 1 456 456 VAL C C 456 177.513 177.513 178.042 -0.529 25931 3606 1 19 . 1 1 456 456 VAL CA C 456 66.494 66.494 66.800 -0.306 25931 3607 1 19 . 1 1 456 456 VAL CB C 456 30.226 30.226 31.818 -1.592 25931 3608 1 19 . 1 1 456 456 VAL H H 456 8.215 8.215 7.790 0.425 25931 3609 1 19 . 1 1 457 457 LEU N N 457 119.491 119.491 119.907 -0.416 25931 3610 1 19 . 1 1 457 457 LEU C C 457 179.589 179.589 179.307 0.282 25931 3611 1 19 . 1 1 457 457 LEU CA C 457 58.056 58.056 57.861 0.195 25931 3612 1 19 . 1 1 457 457 LEU CB C 457 40.414 40.414 41.630 -1.216 25931 3613 1 19 . 1 1 457 457 LEU H H 457 8.157 8.157 7.515 0.642 25931 3614 1 19 . 1 1 458 458 LEU N N 458 118.534 118.534 119.507 -0.973 25931 3615 1 19 . 1 1 458 458 LEU C C 458 178.949 178.949 178.909 0.040 25931 3616 1 19 . 1 1 458 458 LEU CA C 458 57.395 57.395 57.910 -0.515 25931 3617 1 19 . 1 1 458 458 LEU CB C 458 40.615 40.615 40.924 -0.309 25931 3618 1 19 . 1 1 458 458 LEU H H 458 8.562 8.562 8.040 0.522 25931 3619 1 19 . 1 1 459 459 ALA N N 459 122.364 122.364 122.413 -0.049 25931 3620 1 19 . 1 1 459 459 ALA C C 459 179.842 179.842 179.975 -0.133 25931 3621 1 19 . 1 1 459 459 ALA CA C 459 55.173 55.173 55.330 -0.157 25931 3622 1 19 . 1 1 459 459 ALA CB C 459 17.083 17.083 18.119 -1.036 25931 3623 1 19 . 1 1 459 459 ALA H H 459 8.403 8.403 8.251 0.152 25931 3624 1 19 . 1 1 460 460 LEU N N 460 118.056 118.056 119.759 -1.703 25931 3625 1 19 . 1 1 460 460 LEU C C 460 179.308 179.308 179.516 -0.208 25931 3626 1 19 . 1 1 460 460 LEU CA C 460 57.673 57.673 57.462 0.212 25931 3627 1 19 . 1 1 460 460 LEU CB C 460 40.414 40.414 41.593 -1.179 25931 3628 1 19 . 1 1 460 460 LEU H H 460 8.530 8.530 7.922 0.608 25931 3629 1 19 . 1 1 461 461 ARG N N 461 119.570 119.570 119.216 0.354 25931 3630 1 19 . 1 1 461 461 ARG C C 461 178.608 178.608 178.333 0.275 25931 3631 1 19 . 1 1 461 461 ARG CA C 461 57.818 57.818 58.960 -1.142 25931 3632 1 19 . 1 1 461 461 ARG CB C 461 28.607 28.607 29.957 -1.350 25931 3633 1 19 . 1 1 461 461 ARG H H 461 8.051 8.051 7.681 0.370 25931 3634 1 19 . 1 1 462 462 PHE N N 462 118.758 118.758 121.414 -2.656 25931 3635 1 19 . 1 1 462 462 PHE C C 462 177.180 177.180 177.750 -0.570 25931 3636 1 19 . 1 1 462 462 PHE CA C 462 60.701 60.701 61.435 -0.735 25931 3637 1 19 . 1 1 462 462 PHE CB C 462 38.530 38.530 39.368 -0.838 25931 3638 1 19 . 1 1 462 462 PHE H H 462 8.463 8.463 8.587 -0.124 25931 3639 1 19 . 1 1 463 463 CYS N N 463 116.550 116.550 117.092 -0.542 25931 3640 1 19 . 1 1 463 463 CYS C C 463 176.092 176.092 177.514 -1.422 25931 3641 1 19 . 1 1 463 463 CYS CA C 463 62.129 62.129 60.878 1.251 25931 3642 1 19 . 1 1 463 463 CYS CB C 463 26.966 26.966 27.979 -1.013 25931 3643 1 19 . 1 1 463 463 CYS H H 463 8.317 8.317 9.103 -0.786 25931 3644 1 19 . 1 1 464 464 GLY N N 464 107.731 107.731 110.670 -2.939 25931 3645 1 19 . 1 1 464 464 GLY C C 464 174.972 174.972 175.948 -0.976 25931 3646 1 19 . 1 1 464 464 GLY CA C 464 46.074 46.074 46.817 -0.743 25931 3647 1 19 . 1 1 464 464 GLY H H 464 8.079 8.079 8.213 -0.133 25931 3648 1 19 . 1 1 465 465 ILE N N 465 120.035 120.035 120.792 -0.757 25931 3649 1 19 . 1 1 465 465 ILE C C 465 176.563 176.563 176.851 -0.288 25931 3650 1 19 . 1 1 465 465 ILE CA C 465 62.500 62.500 63.677 -1.177 25931 3651 1 19 . 1 1 465 465 ILE CB C 465 37.409 37.409 38.334 -0.925 25931 3652 1 19 . 1 1 465 465 ILE H H 465 7.771 7.771 7.676 0.095 25931 3653 1 19 . 1 1 466 466 TYR N N 466 118.754 118.754 117.204 1.550 25931 3654 1 19 . 1 1 466 466 TYR C C 466 176.313 176.313 176.200 0.113 25931 3655 1 19 . 1 1 466 466 TYR CA C 466 58.506 58.506 59.719 -1.213 25931 3656 1 19 . 1 1 466 466 TYR CB C 466 37.917 37.917 38.766 -0.849 25931 3657 1 19 . 1 1 466 466 TYR H H 466 7.830 7.830 7.516 0.314 25931 3658 1 19 . 1 1 467 467 GLY N N 467 108.001 108.001 106.083 1.918 25931 3659 1 19 . 1 1 467 467 GLY C C 467 174.271 174.271 173.825 0.446 25931 3660 1 19 . 1 1 467 467 GLY CA C 467 45.624 45.624 45.185 0.439 25931 3661 1 19 . 1 1 467 467 GLY H H 467 7.912 7.912 7.880 0.032 25931 3662 1 19 . 1 1 468 468 TYR N N 468 119.906 119.906 118.366 1.540 25931 3663 1 19 . 1 1 468 468 TYR C C 468 175.743 175.743 174.384 1.359 25931 3664 1 19 . 1 1 468 468 TYR CA C 468 58.268 58.268 58.496 -0.228 25931 3665 1 19 . 1 1 468 468 TYR CB C 468 37.613 37.613 39.178 -1.565 25931 3666 1 19 . 1 1 468 468 TYR H H 468 7.891 7.891 7.812 0.079 25931 3667 1 19 . 1 1 469 469 ARG N N 469 120.994 120.994 123.738 -2.744 25931 3668 1 19 . 1 1 469 469 ARG C C 469 175.945 175.945 175.144 0.801 25931 3669 1 19 . 1 1 469 469 ARG CA C 469 55.536 55.536 55.407 0.129 25931 3670 1 19 . 1 1 469 469 ARG CB C 469 30.035 30.035 30.386 -0.351 25931 3671 1 19 . 1 1 469 469 ARG H H 469 7.868 7.868 7.240 0.628 25931 3672 1 19 . 1 1 470 470 LEU N N 470 121.404 121.404 124.652 -3.248 25931 3673 1 19 . 1 1 470 470 LEU C C 470 176.689 176.689 177.936 -1.247 25931 3674 1 19 . 1 1 470 470 LEU CA C 470 54.908 54.908 54.910 -0.002 25931 3675 1 19 . 1 1 470 470 LEU CB C 470 41.077 41.077 42.593 -1.516 25931 3676 1 19 . 1 1 470 470 LEU H H 470 7.906 7.906 8.433 -0.527 25931 3677 1 19 . 1 1 471 471 ARG N N 471 120.513 120.513 122.249 -1.736 25931 3678 1 19 . 1 1 471 471 ARG C C 471 175.778 175.778 177.935 -2.157 25931 3679 1 19 . 1 1 471 471 ARG CA C 471 55.358 55.358 58.442 -3.084 25931 3680 1 19 . 1 1 471 471 ARG CB C 471 29.982 29.982 30.408 -0.426 25931 3681 1 19 . 1 1 471 471 ARG H H 471 7.902 7.902 8.696 -0.794 25931 3682 1 19 . 1 1 472 472 ARG N N 472 122.770 122.770 120.733 2.037 25931 3683 1 19 . 1 1 472 472 ARG C C 472 175.428 175.428 177.214 -1.786 25931 3684 1 19 . 1 1 472 472 ARG CA C 472 55.596 55.596 57.941 -2.345 25931 3685 1 19 . 1 1 472 472 ARG CB C 472 29.982 29.982 30.588 -0.606 25931 3686 1 19 . 1 1 472 472 ARG H H 472 8.220 8.220 8.083 0.137 25931 3687 1 20 . 1 1 431 431 LYS N N 431 121.472 121.472 119.323 2.149 25931 3688 1 20 . 1 1 431 431 LYS C C 431 176.470 176.470 175.499 0.971 25931 3689 1 20 . 1 1 431 431 LYS CA C 431 56.046 56.046 55.136 0.910 25931 3690 1 20 . 1 1 431 431 LYS CB C 431 32.213 32.213 35.487 -3.274 25931 3691 1 20 . 1 1 431 431 LYS H H 431 8.503 8.503 9.132 -0.629 25931 3692 1 20 . 1 1 432 432 ARG N N 432 122.845 122.845 120.569 2.276 25931 3693 1 20 . 1 1 432 432 ARG C C 432 176.155 176.155 175.348 0.807 25931 3694 1 20 . 1 1 432 432 ARG CA C 432 55.385 55.385 55.208 0.177 25931 3695 1 20 . 1 1 432 432 ARG CB C 432 29.615 29.615 32.650 -3.035 25931 3696 1 20 . 1 1 432 432 ARG H H 432 8.403 8.403 9.053 -0.650 25931 3697 1 20 . 1 1 433 433 SER N N 433 117.709 117.709 115.445 2.264 25931 3698 1 20 . 1 1 433 433 SER C C 433 174.350 174.350 173.964 0.386 25931 3699 1 20 . 1 1 433 433 SER CA C 433 57.970 57.970 58.809 -0.839 25931 3700 1 20 . 1 1 433 433 SER CB C 433 63.389 63.389 62.980 0.409 25931 3701 1 20 . 1 1 433 433 SER H H 433 8.219 8.219 8.499 -0.280 25931 3702 1 20 . 1 1 434 434 TRP N N 434 122.436 122.436 123.704 -1.268 25931 3703 1 20 . 1 1 434 434 TRP C C 434 175.682 175.682 174.938 0.744 25931 3704 1 20 . 1 1 434 434 TRP CA C 434 56.945 56.945 55.568 1.377 25931 3705 1 20 . 1 1 434 434 TRP CB C 434 28.749 28.749 28.917 -0.168 25931 3706 1 20 . 1 1 434 434 TRP H H 434 8.143 8.143 7.715 0.428 25931 3707 1 20 . 1 1 435 435 ASP N N 435 119.681 119.681 124.449 -4.768 25931 3708 1 20 . 1 1 435 435 ASP C C 435 175.734 175.734 177.477 -1.743 25931 3709 1 20 . 1 1 435 435 ASP CA C 435 53.097 53.097 52.816 0.281 25931 3710 1 20 . 1 1 435 435 ASP CB C 435 38.446 38.446 42.334 -3.888 25931 3711 1 20 . 1 1 435 435 ASP H H 435 8.107 8.107 8.417 -0.310 25931 3712 1 20 . 1 1 436 436 THR N N 436 113.878 113.878 119.066 -5.188 25931 3713 1 20 . 1 1 436 436 THR C C 436 174.841 174.841 176.345 -1.504 25931 3714 1 20 . 1 1 436 436 THR CA C 436 62.342 62.342 64.836 -2.494 25931 3715 1 20 . 1 1 436 436 THR CB C 436 68.789 68.789 69.099 -0.310 25931 3716 1 20 . 1 1 436 436 THR H H 436 7.890 7.890 8.708 -0.818 25931 3717 1 20 . 1 1 437 437 GLU N N 437 121.040 121.040 121.035 0.005 25931 3718 1 20 . 1 1 437 437 GLU C C 437 176.085 176.085 177.845 -1.760 25931 3719 1 20 . 1 1 437 437 GLU CA C 437 56.271 56.271 58.239 -1.968 25931 3720 1 20 . 1 1 437 437 GLU CB C 437 27.760 27.760 29.399 -1.639 25931 3721 1 20 . 1 1 437 437 GLU H H 437 8.178 8.178 8.106 0.072 25931 3722 1 20 . 1 1 438 438 SER N N 438 115.041 115.041 114.880 0.161 25931 3723 1 20 . 1 1 438 438 SER C C 438 174.622 174.622 175.901 -1.279 25931 3724 1 20 . 1 1 438 438 SER CA C 438 58.337 58.337 61.067 -2.730 25931 3725 1 20 . 1 1 438 438 SER CB C 438 63.257 63.257 62.911 0.346 25931 3726 1 20 . 1 1 438 438 SER H H 438 8.014 8.014 7.664 0.350 25931 3727 1 20 . 1 1 439 439 VAL N N 439 119.164 119.164 120.590 -1.426 25931 3728 1 20 . 1 1 439 439 VAL C C 439 175.866 175.866 175.249 0.617 25931 3729 1 20 . 1 1 439 439 VAL CA C 439 62.223 62.223 64.744 -2.521 25931 3730 1 20 . 1 1 439 439 VAL CB C 439 31.602 31.602 32.676 -1.074 25931 3731 1 20 . 1 1 439 439 VAL H H 439 7.867 7.867 7.441 0.426 25931 3732 1 20 . 1 1 440 440 LEU N N 440 122.292 122.292 121.045 1.247 25931 3733 1 20 . 1 1 440 440 LEU CA C 440 54.619 54.619 52.044 2.575 25931 3734 1 20 . 1 1 440 440 LEU CB C 440 31.602 31.602 43.163 -11.561 25931 3735 1 20 . 1 1 440 440 LEU H H 440 7.951 7.951 7.360 0.591 25931 3736 1 20 . 1 1 442 442 MET C C 442 178.354 178.354 177.640 0.714 25931 3737 1 20 . 1 1 443 443 TRP N N 443 117.586 117.586 118.069 -0.483 25931 3738 1 20 . 1 1 443 443 TRP CA C 443 59.593 59.593 60.191 -0.598 25931 3739 1 20 . 1 1 443 443 TRP CB C 443 28.461 28.461 27.596 0.865 25931 3740 1 20 . 1 1 443 443 TRP H H 443 8.163 8.163 8.021 0.142 25931 3741 1 20 . 1 1 444 444 VAL C C 444 177.425 177.425 177.899 -0.474 25931 3742 1 20 . 1 1 444 444 VAL CA C 444 65.850 65.850 65.041 0.809 25931 3743 1 20 . 1 1 445 445 LEU N N 445 119.396 119.396 119.516 -0.120 25931 3744 1 20 . 1 1 445 445 LEU C C 445 178.275 178.275 178.812 -0.537 25931 3745 1 20 . 1 1 445 445 LEU CA C 445 57.792 57.792 58.039 -0.247 25931 3746 1 20 . 1 1 445 445 LEU CB C 445 40.192 40.192 41.159 -0.967 25931 3747 1 20 . 1 1 445 445 LEU H H 445 7.598 7.598 7.356 0.242 25931 3748 1 20 . 1 1 446 446 ALA N N 446 119.287 119.287 122.284 -2.997 25931 3749 1 20 . 1 1 446 446 ALA C C 446 178.827 178.827 179.872 -1.045 25931 3750 1 20 . 1 1 446 446 ALA CA C 446 55.134 55.134 55.154 -0.020 25931 3751 1 20 . 1 1 446 446 ALA CB C 446 17.032 17.032 18.271 -1.239 25931 3752 1 20 . 1 1 446 446 ALA H H 446 8.360 8.360 7.966 0.394 25931 3753 1 20 . 1 1 447 447 LEU N N 447 117.101 117.101 119.240 -2.139 25931 3754 1 20 . 1 1 447 447 LEU C C 447 178.564 178.564 179.233 -0.669 25931 3755 1 20 . 1 1 447 447 LEU CA C 447 57.818 57.818 58.216 -0.398 25931 3756 1 20 . 1 1 447 447 LEU CB C 447 40.615 40.615 41.414 -0.799 25931 3757 1 20 . 1 1 447 447 LEU H H 447 7.906 7.906 7.878 0.028 25931 3758 1 20 . 1 1 448 448 ILE N N 448 118.874 118.874 119.567 -0.693 25931 3759 1 20 . 1 1 448 448 ILE C C 448 177.504 177.504 178.342 -0.838 25931 3760 1 20 . 1 1 448 448 ILE CA C 448 65.667 65.667 65.763 -0.096 25931 3761 1 20 . 1 1 448 448 ILE CB C 448 36.492 36.492 37.854 -1.362 25931 3762 1 20 . 1 1 448 448 ILE H H 448 8.206 8.206 7.574 0.632 25931 3763 1 20 . 1 1 449 449 VAL N N 449 118.932 118.932 119.792 -0.860 25931 3764 1 20 . 1 1 449 449 VAL C C 449 179.107 179.107 178.495 0.612 25931 3765 1 20 . 1 1 449 449 VAL CA C 449 66.917 66.917 66.859 0.058 25931 3766 1 20 . 1 1 449 449 VAL CB C 449 30.226 30.226 31.249 -1.023 25931 3767 1 20 . 1 1 449 449 VAL H H 449 8.271 8.271 7.630 0.641 25931 3768 1 20 . 1 1 450 450 ILE N N 450 123.013 123.013 120.710 2.303 25931 3769 1 20 . 1 1 450 450 ILE C C 450 177.092 177.092 177.785 -0.693 25931 3770 1 20 . 1 1 450 450 ILE CA C 450 65.594 65.594 65.363 0.231 25931 3771 1 20 . 1 1 450 450 ILE CB C 450 36.594 36.594 37.588 -0.994 25931 3772 1 20 . 1 1 450 450 ILE H H 450 8.603 8.603 7.449 1.154 25931 3773 1 20 . 1 1 451 451 PHE N N 451 119.352 119.352 118.884 0.468 25931 3774 1 20 . 1 1 451 451 PHE C C 451 177.408 177.408 178.030 -0.622 25931 3775 1 20 . 1 1 451 451 PHE CA C 451 61.389 61.389 62.361 -0.972 25931 3776 1 20 . 1 1 451 451 PHE CB C 451 37.970 37.970 38.270 -0.300 25931 3777 1 20 . 1 1 451 451 PHE H H 451 8.630 8.630 7.782 0.848 25931 3778 1 20 . 1 1 452 452 LEU N N 452 118.462 118.462 119.940 -1.478 25931 3779 1 20 . 1 1 452 452 LEU C C 452 177.959 177.959 178.511 -0.552 25931 3780 1 20 . 1 1 452 452 LEU CA C 452 57.606 57.606 58.272 -0.666 25931 3781 1 20 . 1 1 452 452 LEU CB C 452 40.924 40.924 41.618 -0.694 25931 3782 1 20 . 1 1 452 452 LEU H H 452 8.732 8.732 8.179 0.553 25931 3783 1 20 . 1 1 453 453 THR N N 453 116.076 116.076 116.974 -0.898 25931 3784 1 20 . 1 1 453 453 THR C C 453 176.199 176.199 176.968 -0.769 25931 3785 1 20 . 1 1 453 453 THR CA C 453 67.919 67.919 67.605 0.314 25931 3786 1 20 . 1 1 453 453 THR CB C 453 67.006 67.006 68.701 -1.695 25931 3787 1 20 . 1 1 453 453 THR H H 453 8.107 8.107 8.067 0.040 25931 3788 1 20 . 1 1 454 454 ILE N N 454 120.174 120.174 120.786 -0.612 25931 3789 1 20 . 1 1 454 454 ILE C C 454 176.934 176.934 177.837 -0.903 25931 3790 1 20 . 1 1 454 454 ILE CA C 454 65.145 65.145 63.215 1.930 25931 3791 1 20 . 1 1 454 454 ILE CB C 454 36.595 36.595 36.671 -0.076 25931 3792 1 20 . 1 1 454 454 ILE H H 454 8.050 8.050 8.234 -0.184 25931 3793 1 20 . 1 1 455 455 ALA N N 455 121.197 121.197 123.206 -2.009 25931 3794 1 20 . 1 1 455 455 ALA C C 455 178.897 178.897 180.076 -1.179 25931 3795 1 20 . 1 1 455 455 ALA CA C 455 55.346 55.346 55.539 -0.194 25931 3796 1 20 . 1 1 455 455 ALA CB C 455 17.074 17.074 18.183 -1.109 25931 3797 1 20 . 1 1 455 455 ALA H H 455 8.255 8.255 8.183 0.072 25931 3798 1 20 . 1 1 456 456 VAL N N 456 116.760 116.760 118.837 -2.077 25931 3799 1 20 . 1 1 456 456 VAL C C 456 177.513 177.513 178.133 -0.620 25931 3800 1 20 . 1 1 456 456 VAL CA C 456 66.494 66.494 67.135 -0.640 25931 3801 1 20 . 1 1 456 456 VAL CB C 456 30.226 30.226 31.367 -1.141 25931 3802 1 20 . 1 1 456 456 VAL H H 456 8.215 8.215 8.071 0.144 25931 3803 1 20 . 1 1 457 457 LEU N N 457 119.491 119.491 119.821 -0.330 25931 3804 1 20 . 1 1 457 457 LEU C C 457 179.589 179.589 179.363 0.226 25931 3805 1 20 . 1 1 457 457 LEU CA C 457 58.056 58.056 58.054 0.002 25931 3806 1 20 . 1 1 457 457 LEU CB C 457 40.414 40.414 41.623 -1.209 25931 3807 1 20 . 1 1 457 457 LEU H H 457 8.157 8.157 7.591 0.566 25931 3808 1 20 . 1 1 458 458 LEU N N 458 118.534 118.534 119.064 -0.530 25931 3809 1 20 . 1 1 458 458 LEU C C 458 178.949 178.949 178.942 0.007 25931 3810 1 20 . 1 1 458 458 LEU CA C 458 57.395 57.395 57.849 -0.454 25931 3811 1 20 . 1 1 458 458 LEU CB C 458 40.615 40.615 41.374 -0.759 25931 3812 1 20 . 1 1 458 458 LEU H H 458 8.562 8.562 8.155 0.407 25931 3813 1 20 . 1 1 459 459 ALA N N 459 122.364 122.364 122.774 -0.410 25931 3814 1 20 . 1 1 459 459 ALA C C 459 179.842 179.842 179.700 0.142 25931 3815 1 20 . 1 1 459 459 ALA CA C 459 55.173 55.173 55.248 -0.075 25931 3816 1 20 . 1 1 459 459 ALA CB C 459 17.083 17.083 18.421 -1.338 25931 3817 1 20 . 1 1 459 459 ALA H H 459 8.403 8.403 8.359 0.044 25931 3818 1 20 . 1 1 460 460 LEU N N 460 118.056 118.056 119.787 -1.731 25931 3819 1 20 . 1 1 460 460 LEU C C 460 179.308 179.308 179.419 -0.111 25931 3820 1 20 . 1 1 460 460 LEU CA C 460 57.673 57.673 58.281 -0.608 25931 3821 1 20 . 1 1 460 460 LEU CB C 460 40.414 40.414 41.261 -0.847 25931 3822 1 20 . 1 1 460 460 LEU H H 460 8.530 8.530 7.774 0.756 25931 3823 1 20 . 1 1 461 461 ARG N N 461 119.570 119.570 119.632 -0.062 25931 3824 1 20 . 1 1 461 461 ARG C C 461 178.608 178.608 178.751 -0.143 25931 3825 1 20 . 1 1 461 461 ARG CA C 461 57.818 57.818 59.041 -1.223 25931 3826 1 20 . 1 1 461 461 ARG CB C 461 28.607 28.607 29.795 -1.188 25931 3827 1 20 . 1 1 461 461 ARG H H 461 8.051 8.051 7.658 0.393 25931 3828 1 20 . 1 1 462 462 PHE N N 462 118.758 118.758 121.247 -2.489 25931 3829 1 20 . 1 1 462 462 PHE C C 462 177.180 177.180 177.698 -0.518 25931 3830 1 20 . 1 1 462 462 PHE CA C 462 60.701 60.701 61.716 -1.015 25931 3831 1 20 . 1 1 462 462 PHE CB C 462 38.530 38.530 39.090 -0.560 25931 3832 1 20 . 1 1 462 462 PHE H H 462 8.463 8.463 8.455 0.008 25931 3833 1 20 . 1 1 463 463 CYS N N 463 116.550 116.550 117.817 -1.267 25931 3834 1 20 . 1 1 463 463 CYS C C 463 176.092 176.092 177.613 -1.521 25931 3835 1 20 . 1 1 463 463 CYS CA C 463 62.129 62.129 61.636 0.493 25931 3836 1 20 . 1 1 463 463 CYS CB C 463 26.966 26.966 26.907 0.059 25931 3837 1 20 . 1 1 463 463 CYS H H 463 8.317 8.317 9.033 -0.716 25931 3838 1 20 . 1 1 464 464 GLY N N 464 107.731 107.731 110.191 -2.460 25931 3839 1 20 . 1 1 464 464 GLY C C 464 174.972 174.972 176.359 -1.387 25931 3840 1 20 . 1 1 464 464 GLY CA C 464 46.074 46.074 47.141 -1.067 25931 3841 1 20 . 1 1 464 464 GLY H H 464 8.079 8.079 8.542 -0.463 25931 3842 1 20 . 1 1 465 465 ILE N N 465 120.035 120.035 120.736 -0.701 25931 3843 1 20 . 1 1 465 465 ILE C C 465 176.563 176.563 177.692 -1.129 25931 3844 1 20 . 1 1 465 465 ILE CA C 465 62.500 62.500 63.262 -0.762 25931 3845 1 20 . 1 1 465 465 ILE CB C 465 37.409 37.409 36.965 0.444 25931 3846 1 20 . 1 1 465 465 ILE H H 465 7.771 7.771 7.801 -0.030 25931 3847 1 20 . 1 1 466 466 TYR N N 466 118.754 118.754 117.142 1.612 25931 3848 1 20 . 1 1 466 466 TYR C C 466 176.313 176.313 176.650 -0.337 25931 3849 1 20 . 1 1 466 466 TYR CA C 466 58.506 58.506 59.520 -1.014 25931 3850 1 20 . 1 1 466 466 TYR CB C 466 37.917 37.917 38.637 -0.720 25931 3851 1 20 . 1 1 466 466 TYR H H 466 7.830 7.830 7.675 0.155 25931 3852 1 20 . 1 1 467 467 GLY N N 467 108.001 108.001 105.177 2.824 25931 3853 1 20 . 1 1 467 467 GLY C C 467 174.271 174.271 174.392 -0.121 25931 3854 1 20 . 1 1 467 467 GLY CA C 467 45.624 45.624 45.043 0.581 25931 3855 1 20 . 1 1 467 467 GLY H H 467 7.912 7.912 7.944 -0.032 25931 3856 1 20 . 1 1 468 468 TYR N N 468 119.906 119.906 118.176 1.730 25931 3857 1 20 . 1 1 468 468 TYR C C 468 175.743 175.743 174.214 1.529 25931 3858 1 20 . 1 1 468 468 TYR CA C 468 58.268 58.268 59.242 -0.974 25931 3859 1 20 . 1 1 468 468 TYR CB C 468 37.613 37.613 39.063 -1.450 25931 3860 1 20 . 1 1 468 468 TYR H H 468 7.891 7.891 7.961 -0.070 25931 3861 1 20 . 1 1 469 469 ARG N N 469 120.994 120.994 124.351 -3.357 25931 3862 1 20 . 1 1 469 469 ARG C C 469 175.945 175.945 175.068 0.877 25931 3863 1 20 . 1 1 469 469 ARG CA C 469 55.536 55.536 55.728 -0.193 25931 3864 1 20 . 1 1 469 469 ARG CB C 469 30.035 30.035 30.668 -0.633 25931 3865 1 20 . 1 1 469 469 ARG H H 469 7.868 7.868 7.458 0.410 25931 3866 1 20 . 1 1 470 470 LEU N N 470 121.404 121.404 123.012 -1.608 25931 3867 1 20 . 1 1 470 470 LEU C C 470 176.689 176.689 177.090 -0.401 25931 3868 1 20 . 1 1 470 470 LEU CA C 470 54.908 54.908 54.233 0.675 25931 3869 1 20 . 1 1 470 470 LEU CB C 470 41.077 41.077 43.268 -2.191 25931 3870 1 20 . 1 1 470 470 LEU H H 470 7.906 7.906 8.323 -0.417 25931 3871 1 20 . 1 1 471 471 ARG N N 471 120.513 120.513 123.461 -2.948 25931 3872 1 20 . 1 1 471 471 ARG C C 471 175.778 175.778 177.188 -1.410 25931 3873 1 20 . 1 1 471 471 ARG CA C 471 55.358 55.358 56.098 -0.740 25931 3874 1 20 . 1 1 471 471 ARG CB C 471 29.982 29.982 30.923 -0.941 25931 3875 1 20 . 1 1 471 471 ARG H H 471 7.902 7.902 8.548 -0.646 25931 3876 1 20 . 1 1 472 472 ARG N N 472 122.770 122.770 121.320 1.450 25931 3877 1 20 . 1 1 472 472 ARG C C 472 175.428 175.428 177.223 -1.795 25931 3878 1 20 . 1 1 472 472 ARG CA C 472 55.596 55.596 57.718 -2.122 25931 3879 1 20 . 1 1 472 472 ARG CB C 472 29.982 29.982 30.523 -0.541 25931 3880 1 20 . 1 1 472 472 ARG H H 472 8.220 8.220 8.575 -0.355 25931 3881 1 21 . 1 1 431 431 LYS N N 431 121.472 121.472 122.219 -0.747 25931 3882 1 21 . 1 1 431 431 LYS C C 431 176.470 176.470 175.673 0.797 25931 3883 1 21 . 1 1 431 431 LYS CA C 431 56.046 56.046 55.820 0.226 25931 3884 1 21 . 1 1 431 431 LYS CB C 431 32.213 32.213 33.982 -1.769 25931 3885 1 21 . 1 1 431 431 LYS H H 431 8.503 8.503 8.143 0.360 25931 3886 1 21 . 1 1 432 432 ARG N N 432 122.845 122.845 121.412 1.433 25931 3887 1 21 . 1 1 432 432 ARG C C 432 176.155 176.155 175.589 0.566 25931 3888 1 21 . 1 1 432 432 ARG CA C 432 55.385 55.385 55.394 -0.009 25931 3889 1 21 . 1 1 432 432 ARG CB C 432 29.615 29.615 31.575 -1.960 25931 3890 1 21 . 1 1 432 432 ARG H H 432 8.403 8.403 8.381 0.022 25931 3891 1 21 . 1 1 433 433 SER N N 433 117.709 117.709 117.071 0.638 25931 3892 1 21 . 1 1 433 433 SER C C 433 174.350 174.350 173.772 0.578 25931 3893 1 21 . 1 1 433 433 SER CA C 433 57.970 57.970 57.736 0.235 25931 3894 1 21 . 1 1 433 433 SER CB C 433 63.389 63.389 64.016 -0.627 25931 3895 1 21 . 1 1 433 433 SER H H 433 8.219 8.219 8.359 -0.140 25931 3896 1 21 . 1 1 434 434 TRP N N 434 122.436 122.436 122.504 -0.068 25931 3897 1 21 . 1 1 434 434 TRP C C 434 175.682 175.682 176.184 -0.502 25931 3898 1 21 . 1 1 434 434 TRP CA C 434 56.945 56.945 56.657 0.288 25931 3899 1 21 . 1 1 434 434 TRP CB C 434 28.749 28.749 30.996 -2.247 25931 3900 1 21 . 1 1 434 434 TRP H H 434 8.143 8.143 8.403 -0.260 25931 3901 1 21 . 1 1 435 435 ASP N N 435 119.681 119.681 121.186 -1.505 25931 3902 1 21 . 1 1 435 435 ASP C C 435 175.734 175.734 176.536 -0.802 25931 3903 1 21 . 1 1 435 435 ASP CA C 435 53.097 53.097 55.575 -2.478 25931 3904 1 21 . 1 1 435 435 ASP CB C 435 38.446 38.446 41.157 -2.711 25931 3905 1 21 . 1 1 435 435 ASP H H 435 8.107 8.107 8.636 -0.529 25931 3906 1 21 . 1 1 436 436 THR N N 436 113.878 113.878 114.731 -0.853 25931 3907 1 21 . 1 1 436 436 THR C C 436 174.841 174.841 173.873 0.968 25931 3908 1 21 . 1 1 436 436 THR CA C 436 62.342 62.342 62.128 0.214 25931 3909 1 21 . 1 1 436 436 THR CB C 436 68.789 68.789 70.544 -1.755 25931 3910 1 21 . 1 1 436 436 THR H H 436 7.890 7.890 8.031 -0.141 25931 3911 1 21 . 1 1 437 437 GLU N N 437 121.040 121.040 125.450 -4.410 25931 3912 1 21 . 1 1 437 437 GLU C C 437 176.085 176.085 177.197 -1.112 25931 3913 1 21 . 1 1 437 437 GLU CA C 437 56.271 56.271 57.036 -0.765 25931 3914 1 21 . 1 1 437 437 GLU CB C 437 27.760 27.760 30.571 -2.811 25931 3915 1 21 . 1 1 437 437 GLU H H 437 8.178 8.178 8.841 -0.663 25931 3916 1 21 . 1 1 438 438 SER N N 438 115.041 115.041 117.243 -2.202 25931 3917 1 21 . 1 1 438 438 SER C C 438 174.622 174.622 176.452 -1.830 25931 3918 1 21 . 1 1 438 438 SER CA C 438 58.337 58.337 61.308 -2.971 25931 3919 1 21 . 1 1 438 438 SER CB C 438 63.257 63.257 62.864 0.394 25931 3920 1 21 . 1 1 438 438 SER H H 438 8.014 8.014 8.638 -0.624 25931 3921 1 21 . 1 1 439 439 VAL N N 439 119.164 119.164 121.451 -2.287 25931 3922 1 21 . 1 1 439 439 VAL C C 439 175.866 175.866 176.661 -0.795 25931 3923 1 21 . 1 1 439 439 VAL CA C 439 62.223 62.223 64.067 -1.844 25931 3924 1 21 . 1 1 439 439 VAL CB C 439 31.602 31.602 31.554 0.048 25931 3925 1 21 . 1 1 439 439 VAL H H 439 7.867 7.867 7.815 0.052 25931 3926 1 21 . 1 1 440 440 LEU N N 440 122.292 122.292 124.454 -2.162 25931 3927 1 21 . 1 1 440 440 LEU CA C 440 54.619 54.619 55.337 -0.718 25931 3928 1 21 . 1 1 440 440 LEU CB C 440 31.602 31.602 42.251 -10.649 25931 3929 1 21 . 1 1 440 440 LEU H H 440 7.951 7.951 8.015 -0.064 25931 3930 1 21 . 1 1 442 442 MET C C 442 178.354 178.354 178.215 0.139 25931 3931 1 21 . 1 1 443 443 TRP N N 443 117.586 117.586 118.634 -1.048 25931 3932 1 21 . 1 1 443 443 TRP CA C 443 59.593 59.593 59.388 0.205 25931 3933 1 21 . 1 1 443 443 TRP CB C 443 28.461 28.461 27.875 0.586 25931 3934 1 21 . 1 1 443 443 TRP H H 443 8.163 8.163 7.745 0.418 25931 3935 1 21 . 1 1 444 444 VAL C C 444 177.425 177.425 177.420 0.005 25931 3936 1 21 . 1 1 444 444 VAL CA C 444 65.850 65.850 65.286 0.564 25931 3937 1 21 . 1 1 445 445 LEU N N 445 119.396 119.396 120.504 -1.108 25931 3938 1 21 . 1 1 445 445 LEU C C 445 178.275 178.275 178.095 0.180 25931 3939 1 21 . 1 1 445 445 LEU CA C 445 57.792 57.792 57.671 0.121 25931 3940 1 21 . 1 1 445 445 LEU CB C 445 40.192 40.192 41.212 -1.020 25931 3941 1 21 . 1 1 445 445 LEU H H 445 7.598 7.598 7.716 -0.118 25931 3942 1 21 . 1 1 446 446 ALA N N 446 119.287 119.287 121.420 -2.133 25931 3943 1 21 . 1 1 446 446 ALA C C 446 178.827 178.827 179.828 -1.001 25931 3944 1 21 . 1 1 446 446 ALA CA C 446 55.134 55.134 54.991 0.143 25931 3945 1 21 . 1 1 446 446 ALA CB C 446 17.032 17.032 18.133 -1.101 25931 3946 1 21 . 1 1 446 446 ALA H H 446 8.360 8.360 7.706 0.654 25931 3947 1 21 . 1 1 447 447 LEU N N 447 117.101 117.101 119.352 -2.251 25931 3948 1 21 . 1 1 447 447 LEU C C 447 178.564 178.564 179.184 -0.620 25931 3949 1 21 . 1 1 447 447 LEU CA C 447 57.818 57.818 57.701 0.117 25931 3950 1 21 . 1 1 447 447 LEU CB C 447 40.615 40.615 41.855 -1.240 25931 3951 1 21 . 1 1 447 447 LEU H H 447 7.906 7.906 7.451 0.455 25931 3952 1 21 . 1 1 448 448 ILE N N 448 118.874 118.874 119.117 -0.243 25931 3953 1 21 . 1 1 448 448 ILE C C 448 177.504 177.504 178.400 -0.896 25931 3954 1 21 . 1 1 448 448 ILE CA C 448 65.667 65.667 64.033 1.634 25931 3955 1 21 . 1 1 448 448 ILE CB C 448 36.492 36.492 36.492 -0.000 25931 3956 1 21 . 1 1 448 448 ILE H H 448 8.206 8.206 7.564 0.642 25931 3957 1 21 . 1 1 449 449 VAL N N 449 118.932 118.932 120.173 -1.241 25931 3958 1 21 . 1 1 449 449 VAL C C 449 179.107 179.107 178.349 0.758 25931 3959 1 21 . 1 1 449 449 VAL CA C 449 66.917 66.917 66.939 -0.022 25931 3960 1 21 . 1 1 449 449 VAL CB C 449 30.226 30.226 31.615 -1.389 25931 3961 1 21 . 1 1 449 449 VAL H H 449 8.271 8.271 7.529 0.742 25931 3962 1 21 . 1 1 450 450 ILE N N 450 123.013 123.013 120.945 2.068 25931 3963 1 21 . 1 1 450 450 ILE C C 450 177.092 177.092 178.584 -1.492 25931 3964 1 21 . 1 1 450 450 ILE CA C 450 65.594 65.594 62.829 2.765 25931 3965 1 21 . 1 1 450 450 ILE CB C 450 36.594 36.594 36.684 -0.090 25931 3966 1 21 . 1 1 450 450 ILE H H 450 8.603 8.603 7.490 1.113 25931 3967 1 21 . 1 1 451 451 PHE N N 451 119.352 119.352 119.151 0.201 25931 3968 1 21 . 1 1 451 451 PHE C C 451 177.408 177.408 178.294 -0.886 25931 3969 1 21 . 1 1 451 451 PHE CA C 451 61.389 61.389 62.649 -1.260 25931 3970 1 21 . 1 1 451 451 PHE CB C 451 37.970 37.970 38.162 -0.192 25931 3971 1 21 . 1 1 451 451 PHE H H 451 8.630 8.630 7.672 0.958 25931 3972 1 21 . 1 1 452 452 LEU N N 452 118.462 118.462 119.007 -0.545 25931 3973 1 21 . 1 1 452 452 LEU C C 452 177.959 177.959 179.089 -1.130 25931 3974 1 21 . 1 1 452 452 LEU CA C 452 57.606 57.606 58.173 -0.567 25931 3975 1 21 . 1 1 452 452 LEU CB C 452 40.924 40.924 41.651 -0.727 25931 3976 1 21 . 1 1 452 452 LEU H H 452 8.732 8.732 8.425 0.307 25931 3977 1 21 . 1 1 453 453 THR N N 453 116.076 116.076 114.475 1.601 25931 3978 1 21 . 1 1 453 453 THR C C 453 176.199 176.199 176.996 -0.797 25931 3979 1 21 . 1 1 453 453 THR CA C 453 67.919 67.919 66.469 1.450 25931 3980 1 21 . 1 1 453 453 THR CB C 453 67.006 67.006 68.609 -1.603 25931 3981 1 21 . 1 1 453 453 THR H H 453 8.107 8.107 8.385 -0.278 25931 3982 1 21 . 1 1 454 454 ILE N N 454 120.174 120.174 122.426 -2.252 25931 3983 1 21 . 1 1 454 454 ILE C C 454 176.934 176.934 177.654 -0.720 25931 3984 1 21 . 1 1 454 454 ILE CA C 454 65.145 65.145 64.898 0.247 25931 3985 1 21 . 1 1 454 454 ILE CB C 454 36.595 36.595 37.495 -0.900 25931 3986 1 21 . 1 1 454 454 ILE H H 454 8.050 8.050 7.970 0.080 25931 3987 1 21 . 1 1 455 455 ALA N N 455 121.197 121.197 122.461 -1.264 25931 3988 1 21 . 1 1 455 455 ALA C C 455 178.897 178.897 179.625 -0.728 25931 3989 1 21 . 1 1 455 455 ALA CA C 455 55.346 55.346 55.611 -0.265 25931 3990 1 21 . 1 1 455 455 ALA CB C 455 17.074 17.074 18.287 -1.212 25931 3991 1 21 . 1 1 455 455 ALA H H 455 8.255 8.255 7.943 0.312 25931 3992 1 21 . 1 1 456 456 VAL N N 456 116.760 116.760 116.349 0.411 25931 3993 1 21 . 1 1 456 456 VAL C C 456 177.513 177.513 177.749 -0.236 25931 3994 1 21 . 1 1 456 456 VAL CA C 456 66.494 66.494 64.957 1.537 25931 3995 1 21 . 1 1 456 456 VAL CB C 456 30.226 30.226 30.609 -0.383 25931 3996 1 21 . 1 1 456 456 VAL H H 456 8.215 8.215 7.821 0.394 25931 3997 1 21 . 1 1 457 457 LEU N N 457 119.491 119.491 120.681 -1.190 25931 3998 1 21 . 1 1 457 457 LEU C C 457 179.589 179.589 179.355 0.234 25931 3999 1 21 . 1 1 457 457 LEU CA C 457 58.056 58.056 57.840 0.216 25931 4000 1 21 . 1 1 457 457 LEU CB C 457 40.414 40.414 41.433 -1.019 25931 4001 1 21 . 1 1 457 457 LEU H H 457 8.157 8.157 7.464 0.693 25931 4002 1 21 . 1 1 458 458 LEU N N 458 118.534 118.534 119.048 -0.514 25931 4003 1 21 . 1 1 458 458 LEU C C 458 178.949 178.949 178.947 0.002 25931 4004 1 21 . 1 1 458 458 LEU CA C 458 57.395 57.395 57.864 -0.469 25931 4005 1 21 . 1 1 458 458 LEU CB C 458 40.615 40.615 41.410 -0.795 25931 4006 1 21 . 1 1 458 458 LEU H H 458 8.562 8.562 8.021 0.541 25931 4007 1 21 . 1 1 459 459 ALA N N 459 122.364 122.364 122.517 -0.153 25931 4008 1 21 . 1 1 459 459 ALA C C 459 179.842 179.842 179.753 0.089 25931 4009 1 21 . 1 1 459 459 ALA CA C 459 55.173 55.173 55.212 -0.038 25931 4010 1 21 . 1 1 459 459 ALA CB C 459 17.083 17.083 18.341 -1.258 25931 4011 1 21 . 1 1 459 459 ALA H H 459 8.403 8.403 8.218 0.185 25931 4012 1 21 . 1 1 460 460 LEU N N 460 118.056 118.056 119.771 -1.715 25931 4013 1 21 . 1 1 460 460 LEU C C 460 179.308 179.308 179.489 -0.181 25931 4014 1 21 . 1 1 460 460 LEU CA C 460 57.673 57.673 57.557 0.116 25931 4015 1 21 . 1 1 460 460 LEU CB C 460 40.414 40.414 41.637 -1.223 25931 4016 1 21 . 1 1 460 460 LEU H H 460 8.530 8.530 7.995 0.535 25931 4017 1 21 . 1 1 461 461 ARG N N 461 119.570 119.570 119.604 -0.034 25931 4018 1 21 . 1 1 461 461 ARG C C 461 178.608 178.608 178.566 0.042 25931 4019 1 21 . 1 1 461 461 ARG CA C 461 57.818 57.818 59.062 -1.244 25931 4020 1 21 . 1 1 461 461 ARG CB C 461 28.607 28.607 29.940 -1.333 25931 4021 1 21 . 1 1 461 461 ARG H H 461 8.051 8.051 7.633 0.418 25931 4022 1 21 . 1 1 462 462 PHE N N 462 118.758 118.758 120.813 -2.055 25931 4023 1 21 . 1 1 462 462 PHE C C 462 177.180 177.180 177.533 -0.353 25931 4024 1 21 . 1 1 462 462 PHE CA C 462 60.701 60.701 61.516 -0.815 25931 4025 1 21 . 1 1 462 462 PHE CB C 462 38.530 38.530 39.150 -0.620 25931 4026 1 21 . 1 1 462 462 PHE H H 462 8.463 8.463 8.248 0.215 25931 4027 1 21 . 1 1 463 463 CYS N N 463 116.550 116.550 116.773 -0.223 25931 4028 1 21 . 1 1 463 463 CYS C C 463 176.092 176.092 176.320 -0.228 25931 4029 1 21 . 1 1 463 463 CYS CA C 463 62.129 62.129 62.670 -0.541 25931 4030 1 21 . 1 1 463 463 CYS CB C 463 26.966 26.966 27.155 -0.190 25931 4031 1 21 . 1 1 463 463 CYS H H 463 8.317 8.317 8.831 -0.514 25931 4032 1 21 . 1 1 464 464 GLY N N 464 107.731 107.731 109.452 -1.721 25931 4033 1 21 . 1 1 464 464 GLY C C 464 174.972 174.972 175.736 -0.764 25931 4034 1 21 . 1 1 464 464 GLY CA C 464 46.074 46.074 46.969 -0.895 25931 4035 1 21 . 1 1 464 464 GLY H H 464 8.079 8.079 8.091 -0.012 25931 4036 1 21 . 1 1 465 465 ILE N N 465 120.035 120.035 118.370 1.665 25931 4037 1 21 . 1 1 465 465 ILE C C 465 176.563 176.563 177.210 -0.647 25931 4038 1 21 . 1 1 465 465 ILE CA C 465 62.500 62.500 64.050 -1.550 25931 4039 1 21 . 1 1 465 465 ILE CB C 465 37.409 37.409 37.408 0.001 25931 4040 1 21 . 1 1 465 465 ILE H H 465 7.771 7.771 7.337 0.434 25931 4041 1 21 . 1 1 466 466 TYR N N 466 118.754 118.754 118.911 -0.157 25931 4042 1 21 . 1 1 466 466 TYR C C 466 176.313 176.313 176.503 -0.190 25931 4043 1 21 . 1 1 466 466 TYR CA C 466 58.506 58.506 60.187 -1.681 25931 4044 1 21 . 1 1 466 466 TYR CB C 466 37.917 37.917 38.709 -0.792 25931 4045 1 21 . 1 1 466 466 TYR H H 466 7.830 7.830 7.200 0.630 25931 4046 1 21 . 1 1 467 467 GLY N N 467 108.001 108.001 104.007 3.994 25931 4047 1 21 . 1 1 467 467 GLY C C 467 174.271 174.271 174.689 -0.418 25931 4048 1 21 . 1 1 467 467 GLY CA C 467 45.624 45.624 45.394 0.230 25931 4049 1 21 . 1 1 467 467 GLY H H 467 7.912 7.912 7.791 0.121 25931 4050 1 21 . 1 1 468 468 TYR N N 468 119.906 119.906 118.703 1.203 25931 4051 1 21 . 1 1 468 468 TYR C C 468 175.743 175.743 176.747 -1.004 25931 4052 1 21 . 1 1 468 468 TYR CA C 468 58.268 58.268 61.880 -3.612 25931 4053 1 21 . 1 1 468 468 TYR CB C 468 37.613 37.613 36.592 1.021 25931 4054 1 21 . 1 1 468 468 TYR H H 468 7.891 7.891 7.946 -0.055 25931 4055 1 21 . 1 1 469 469 ARG N N 469 120.994 120.994 119.875 1.119 25931 4056 1 21 . 1 1 469 469 ARG C C 469 175.945 175.945 176.853 -0.908 25931 4057 1 21 . 1 1 469 469 ARG CA C 469 55.536 55.536 57.381 -1.845 25931 4058 1 21 . 1 1 469 469 ARG CB C 469 30.035 30.035 30.626 -0.591 25931 4059 1 21 . 1 1 469 469 ARG H H 469 7.868 7.868 8.403 -0.535 25931 4060 1 21 . 1 1 470 470 LEU N N 470 121.404 121.404 120.645 0.759 25931 4061 1 21 . 1 1 470 470 LEU C C 470 176.689 176.689 176.336 0.353 25931 4062 1 21 . 1 1 470 470 LEU CA C 470 54.908 54.908 54.971 -0.063 25931 4063 1 21 . 1 1 470 470 LEU CB C 470 41.077 41.077 42.438 -1.361 25931 4064 1 21 . 1 1 470 470 LEU H H 470 7.906 7.906 7.687 0.219 25931 4065 1 21 . 1 1 471 471 ARG N N 471 120.513 120.513 121.108 -0.595 25931 4066 1 21 . 1 1 471 471 ARG C C 471 175.778 175.778 175.463 0.315 25931 4067 1 21 . 1 1 471 471 ARG CA C 471 55.358 55.358 54.855 0.503 25931 4068 1 21 . 1 1 471 471 ARG CB C 471 29.982 29.982 32.913 -2.931 25931 4069 1 21 . 1 1 471 471 ARG H H 471 7.902 7.902 8.254 -0.352 25931 4070 1 21 . 1 1 472 472 ARG N N 472 122.770 122.770 122.709 0.061 25931 4071 1 21 . 1 1 472 472 ARG C C 472 175.428 175.428 176.087 -0.659 25931 4072 1 21 . 1 1 472 472 ARG CA C 472 55.596 55.596 55.634 -0.038 25931 4073 1 21 . 1 1 472 472 ARG CB C 472 29.982 29.982 31.947 -1.965 25931 4074 1 21 . 1 1 472 472 ARG H H 472 8.220 8.220 8.563 -0.343 25931 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 39 2.237 0.173 2.259 25931 2 1 1 "Average Difference" HA 0 0.000 0.000 0.000 25931 3 1 1 "Average Difference" C 39 0.784 0.241 0.756 25931 4 1 1 "Average Difference" CA 40 1.451 0.606 1.335 25931 5 1 1 "Average Difference" CB 37 2.241 1.097 1.981 25931 6 1 1 "Average Difference" HN 39 0.492 -0.113 0.485 25931 7 1 2 "Average Difference" N 39 2.290 0.260 2.305 25931 8 1 2 "Average Difference" HA 0 0.000 0.000 0.000 25931 9 1 2 "Average Difference" C 39 0.908 0.447 0.801 25931 10 1 2 "Average Difference" CA 40 1.323 0.548 1.220 25931 11 1 2 "Average Difference" CB 37 2.209 1.343 1.778 25931 12 1 2 "Average Difference" HN 39 0.483 -0.132 0.471 25931 13 1 3 "Average Difference" N 39 1.997 0.458 1.970 25931 14 1 3 "Average Difference" HA 0 0.000 0.000 0.000 25931 15 1 3 "Average Difference" C 39 0.771 0.307 0.717 25931 16 1 3 "Average Difference" CA 40 1.072 0.303 1.042 25931 17 1 3 "Average Difference" CB 37 2.263 1.387 1.813 25931 18 1 3 "Average Difference" HN 39 0.441 -0.048 0.444 25931 19 1 4 "Average Difference" N 39 2.056 0.479 2.026 25931 20 1 4 "Average Difference" HA 0 0.000 0.000 0.000 25931 21 1 4 "Average Difference" C 39 0.811 0.425 0.700 25931 22 1 4 "Average Difference" CA 40 1.262 0.369 1.223 25931 23 1 4 "Average Difference" CB 37 2.236 1.249 1.881 25931 24 1 4 "Average Difference" HN 39 0.450 -0.118 0.440 25931 25 1 5 "Average Difference" N 39 2.171 0.775 2.055 25931 26 1 5 "Average Difference" HA 0 0.000 0.000 0.000 25931 27 1 5 "Average Difference" C 39 0.661 0.250 0.619 25931 28 1 5 "Average Difference" CA 40 1.050 0.393 0.986 25931 29 1 5 "Average Difference" CB 37 2.159 1.269 1.771 25931 30 1 5 "Average Difference" HN 39 0.461 -0.097 0.456 25931 31 1 6 "Average Difference" N 39 1.910 0.481 1.873 25931 32 1 6 "Average Difference" HA 0 0.000 0.000 0.000 25931 33 1 6 "Average Difference" C 39 0.963 0.559 0.794 25931 34 1 6 "Average Difference" CA 40 1.501 0.625 1.381 25931 35 1 6 "Average Difference" CB 37 2.066 1.155 1.737 25931 36 1 6 "Average Difference" HN 39 0.456 -0.083 0.455 25931 37 1 7 "Average Difference" N 39 2.313 0.722 2.226 25931 38 1 7 "Average Difference" HA 0 0.000 0.000 0.000 25931 39 1 7 "Average Difference" C 39 0.741 0.375 0.648 25931 40 1 7 "Average Difference" CA 40 1.167 0.435 1.096 25931 41 1 7 "Average Difference" CB 37 2.130 1.120 1.837 25931 42 1 7 "Average Difference" HN 39 0.511 -0.185 0.482 25931 43 1 8 "Average Difference" N 39 2.058 0.612 1.990 25931 44 1 8 "Average Difference" HA 0 0.000 0.000 0.000 25931 45 1 8 "Average Difference" C 39 0.958 0.559 0.787 25931 46 1 8 "Average Difference" CA 40 1.380 0.574 1.270 25931 47 1 8 "Average Difference" CB 37 2.029 1.188 1.668 25931 48 1 8 "Average Difference" HN 39 0.447 -0.131 0.433 25931 49 1 9 "Average Difference" N 39 2.252 0.301 2.261 25931 50 1 9 "Average Difference" HA 0 0.000 0.000 0.000 25931 51 1 9 "Average Difference" C 39 0.721 0.337 0.646 25931 52 1 9 "Average Difference" CA 40 1.319 0.601 1.189 25931 53 1 9 "Average Difference" CB 37 2.180 1.214 1.836 25931 54 1 9 "Average Difference" HN 39 0.477 -0.235 0.421 25931 55 1 10 "Average Difference" N 39 1.992 0.299 1.995 25931 56 1 10 "Average Difference" HA 0 0.000 0.000 0.000 25931 57 1 10 "Average Difference" C 39 0.937 0.541 0.775 25931 58 1 10 "Average Difference" CA 40 1.379 0.387 1.341 25931 59 1 10 "Average Difference" CB 37 2.245 1.241 1.896 25931 60 1 10 "Average Difference" HN 39 0.401 -0.141 0.381 25931 61 1 11 "Average Difference" N 39 2.446 0.899 2.304 25931 62 1 11 "Average Difference" HA 0 0.000 0.000 0.000 25931 63 1 11 "Average Difference" C 39 0.683 0.214 0.657 25931 64 1 11 "Average Difference" CA 40 0.934 0.182 0.928 25931 65 1 11 "Average Difference" CB 37 2.293 1.395 1.844 25931 66 1 11 "Average Difference" HN 39 0.443 -0.090 0.440 25931 67 1 12 "Average Difference" N 39 2.343 -0.206 2.364 25931 68 1 12 "Average Difference" HA 0 0.000 0.000 0.000 25931 69 1 12 "Average Difference" C 39 0.704 0.337 0.626 25931 70 1 12 "Average Difference" CA 40 1.420 0.364 1.390 25931 71 1 12 "Average Difference" CB 37 2.210 1.307 1.807 25931 72 1 12 "Average Difference" HN 39 0.458 -0.162 0.434 25931 73 1 13 "Average Difference" N 39 2.343 0.785 2.236 25931 74 1 13 "Average Difference" HA 0 0.000 0.000 0.000 25931 75 1 13 "Average Difference" C 39 0.762 0.346 0.687 25931 76 1 13 "Average Difference" CA 40 1.138 0.225 1.129 25931 77 1 13 "Average Difference" CB 37 2.137 1.238 1.766 25931 78 1 13 "Average Difference" HN 39 0.473 -0.137 0.458 25931 79 1 14 "Average Difference" N 39 1.494 0.403 1.457 25931 80 1 14 "Average Difference" HA 0 0.000 0.000 0.000 25931 81 1 14 "Average Difference" C 39 0.704 0.400 0.587 25931 82 1 14 "Average Difference" CA 40 1.080 0.223 1.070 25931 83 1 14 "Average Difference" CB 37 2.148 1.140 1.846 25931 84 1 14 "Average Difference" HN 39 0.467 -0.169 0.441 25931 85 1 15 "Average Difference" N 39 2.042 0.271 2.050 25931 86 1 15 "Average Difference" HA 0 0.000 0.000 0.000 25931 87 1 15 "Average Difference" C 39 0.716 0.265 0.674 25931 88 1 15 "Average Difference" CA 40 0.977 0.188 0.971 25931 89 1 15 "Average Difference" CB 37 2.104 1.374 1.614 25931 90 1 15 "Average Difference" HN 39 0.509 -0.155 0.491 25931 91 1 16 "Average Difference" N 39 1.923 0.515 1.877 25931 92 1 16 "Average Difference" HA 0 0.000 0.000 0.000 25931 93 1 16 "Average Difference" C 39 0.638 0.263 0.589 25931 94 1 16 "Average Difference" CA 40 1.056 0.150 1.059 25931 95 1 16 "Average Difference" CB 37 2.235 1.297 1.845 25931 96 1 16 "Average Difference" HN 39 0.468 -0.137 0.453 25931 97 1 17 "Average Difference" N 39 2.098 0.317 2.101 25931 98 1 17 "Average Difference" HA 0 0.000 0.000 0.000 25931 99 1 17 "Average Difference" C 39 0.904 0.489 0.770 25931 100 1 17 "Average Difference" CA 40 1.343 0.368 1.308 25931 101 1 17 "Average Difference" CB 37 2.220 1.114 1.946 25931 102 1 17 "Average Difference" HN 39 0.479 -0.209 0.437 25931 103 1 18 "Average Difference" N 39 1.818 0.963 1.562 25931 104 1 18 "Average Difference" HA 0 0.000 0.000 0.000 25931 105 1 18 "Average Difference" C 39 0.621 0.188 0.599 25931 106 1 18 "Average Difference" CA 40 0.982 0.448 0.884 25931 107 1 18 "Average Difference" CB 37 2.039 1.261 1.625 25931 108 1 18 "Average Difference" HN 39 0.490 -0.176 0.463 25931 109 1 19 "Average Difference" N 39 2.020 0.471 1.990 25931 110 1 19 "Average Difference" HA 0 0.000 0.000 0.000 25931 111 1 19 "Average Difference" C 39 0.925 0.408 0.841 25931 112 1 19 "Average Difference" CA 40 1.289 0.435 1.229 25931 113 1 19 "Average Difference" CB 37 2.001 1.220 1.607 25931 114 1 19 "Average Difference" HN 39 0.479 -0.159 0.458 25931 115 1 20 "Average Difference" N 39 2.014 0.677 1.921 25931 116 1 20 "Average Difference" HA 0 0.000 0.000 0.000 25931 117 1 20 "Average Difference" C 39 0.950 0.421 0.863 25931 118 1 20 "Average Difference" CA 40 1.161 0.355 1.120 25931 119 1 20 "Average Difference" CB 37 2.337 1.259 1.996 25931 120 1 20 "Average Difference" HN 39 0.476 -0.100 0.471 25931 121 1 21 "Average Difference" N 39 1.618 0.501 1.558 25931 122 1 21 "Average Difference" HA 0 0.000 0.000 0.000 25931 123 1 21 "Average Difference" C 39 0.737 0.356 0.653 25931 124 1 21 "Average Difference" CA 40 1.250 0.322 1.223 25931 125 1 21 "Average Difference" CB 37 2.201 1.254 1.833 25931 126 1 21 "Average Difference" HN 39 0.466 -0.151 0.447 25931 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 25931 _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 1 431 431 LYS N N 431 121.472 121.472 121.947 -0.475 25931 2 1 . 1 1 431 431 LYS C C 431 176.470 176.470 176.888 -0.418 25931 3 1 . 1 1 431 431 LYS CA C 431 56.046 56.046 56.737 -0.691 25931 4 1 . 1 1 431 431 LYS CB C 431 32.213 32.213 33.300 -1.087 25931 5 1 . 1 1 431 431 LYS H H 431 8.503 8.503 8.319 0.184 25931 6 1 . 1 1 432 432 ARG N N 432 122.845 122.845 120.713 2.132 25931 7 1 . 1 1 432 432 ARG C C 432 176.155 176.155 176.436 -0.281 25931 8 1 . 1 1 432 432 ARG CA C 432 55.385 55.385 56.903 -1.518 25931 9 1 . 1 1 432 432 ARG CB C 432 29.615 29.615 30.714 -1.099 25931 10 1 . 1 1 432 432 ARG H H 432 8.403 8.403 8.364 0.039 25931 11 1 . 1 1 433 433 SER N N 433 117.709 117.709 115.131 2.578 25931 12 1 . 1 1 433 433 SER C C 433 174.350 174.350 174.120 0.230 25931 13 1 . 1 1 433 433 SER CA C 433 57.970 57.970 58.566 -0.596 25931 14 1 . 1 1 433 433 SER CB C 433 63.389 63.389 63.636 -0.247 25931 15 1 . 1 1 433 433 SER H H 433 8.219 8.219 8.068 0.151 25931 16 1 . 1 1 434 434 TRP N N 434 122.436 122.436 122.395 0.041 25931 17 1 . 1 1 434 434 TRP C C 434 175.682 175.682 176.115 -0.433 25931 18 1 . 1 1 434 434 TRP CA C 434 56.945 56.945 57.609 -0.664 25931 19 1 . 1 1 434 434 TRP CB C 434 28.749 28.749 30.004 -1.255 25931 20 1 . 1 1 434 434 TRP H H 434 8.143 8.143 8.081 0.062 25931 21 1 . 1 1 435 435 ASP N N 435 119.681 119.681 120.556 -0.875 25931 22 1 . 1 1 435 435 ASP C C 435 175.734 175.734 176.453 -0.719 25931 23 1 . 1 1 435 435 ASP CA C 435 53.097 53.097 54.491 -1.394 25931 24 1 . 1 1 435 435 ASP CB C 435 38.446 38.446 41.223 -2.777 25931 25 1 . 1 1 435 435 ASP H H 435 8.107 8.107 8.299 -0.192 25931 26 1 . 1 1 436 436 THR N N 436 113.878 113.878 115.620 -1.742 25931 27 1 . 1 1 436 436 THR C C 436 174.841 174.841 174.547 0.294 25931 28 1 . 1 1 436 436 THR CA C 436 62.342 62.342 62.007 0.335 25931 29 1 . 1 1 436 436 THR CB C 436 68.789 68.789 70.196 -1.407 25931 30 1 . 1 1 436 436 THR H H 436 7.890 7.890 8.085 -0.195 25931 31 1 . 1 1 437 437 GLU N N 437 121.040 121.040 122.864 -1.824 25931 32 1 . 1 1 437 437 GLU C C 437 176.085 176.085 176.377 -0.292 25931 33 1 . 1 1 437 437 GLU CA C 437 56.271 56.271 56.945 -0.674 25931 34 1 . 1 1 437 437 GLU CB C 437 27.760 27.760 30.388 -2.628 25931 35 1 . 1 1 437 437 GLU H H 437 8.178 8.178 8.513 -0.335 25931 36 1 . 1 1 438 438 SER N N 438 115.041 115.041 116.590 -1.549 25931 37 1 . 1 1 438 438 SER C C 438 174.622 174.622 175.362 -0.740 25931 38 1 . 1 1 438 438 SER CA C 438 58.337 58.337 58.533 -0.196 25931 39 1 . 1 1 438 438 SER CB C 438 63.257 63.257 64.135 -0.878 25931 40 1 . 1 1 438 438 SER H H 438 8.014 8.014 8.172 -0.158 25931 41 1 . 1 1 439 439 VAL N N 439 119.164 119.164 120.910 -1.746 25931 42 1 . 1 1 439 439 VAL C C 439 175.866 175.866 175.911 -0.045 25931 43 1 . 1 1 439 439 VAL CA C 439 62.223 62.223 64.354 -2.131 25931 44 1 . 1 1 439 439 VAL CB C 439 31.602 31.602 31.899 -0.297 25931 45 1 . 1 1 439 439 VAL H H 439 7.867 7.867 8.204 -0.337 25931 46 1 . 1 1 440 440 LEU N N 440 122.292 122.292 121.269 1.023 25931 47 1 . 1 1 440 440 LEU CA C 440 54.619 54.619 52.843 1.776 25931 48 1 . 1 1 440 440 LEU CB C 440 31.602 31.602 42.500 -10.898 25931 49 1 . 1 1 440 440 LEU H H 440 7.951 7.951 7.665 0.286 25931 50 1 . 1 1 442 442 MET C C 442 178.354 178.354 178.009 0.345 25931 51 1 . 1 1 443 443 TRP N N 443 117.586 117.586 118.651 -1.065 25931 52 1 . 1 1 443 443 TRP CA C 443 59.593 59.593 59.647 -0.054 25931 53 1 . 1 1 443 443 TRP CB C 443 28.461 28.461 27.838 0.623 25931 54 1 . 1 1 443 443 TRP H H 443 8.163 8.163 8.100 0.063 25931 55 1 . 1 1 444 444 VAL C C 444 177.425 177.425 177.663 -0.238 25931 56 1 . 1 1 444 444 VAL CA C 444 65.850 65.850 65.153 0.697 25931 57 1 . 1 1 445 445 LEU N N 445 119.396 119.396 120.198 -0.802 25931 58 1 . 1 1 445 445 LEU C C 445 178.275 178.275 178.464 -0.189 25931 59 1 . 1 1 445 445 LEU CA C 445 57.792 57.792 57.759 0.033 25931 60 1 . 1 1 445 445 LEU CB C 445 40.192 40.192 41.152 -0.960 25931 61 1 . 1 1 445 445 LEU H H 445 7.598 7.598 7.361 0.237 25931 62 1 . 1 1 446 446 ALA N N 446 119.287 119.287 121.822 -2.535 25931 63 1 . 1 1 446 446 ALA C C 446 178.827 178.827 179.795 -0.968 25931 64 1 . 1 1 446 446 ALA CA C 446 55.134 55.134 55.088 0.046 25931 65 1 . 1 1 446 446 ALA CB C 446 17.032 17.032 18.206 -1.174 25931 66 1 . 1 1 446 446 ALA H H 446 8.360 8.360 7.834 0.526 25931 67 1 . 1 1 447 447 LEU N N 447 117.101 117.101 119.336 -2.235 25931 68 1 . 1 1 447 447 LEU C C 447 178.564 178.564 179.131 -0.567 25931 69 1 . 1 1 447 447 LEU CA C 447 57.818 57.818 57.937 -0.119 25931 70 1 . 1 1 447 447 LEU CB C 447 40.615 40.615 41.854 -1.239 25931 71 1 . 1 1 447 447 LEU H H 447 7.906 7.906 7.774 0.132 25931 72 1 . 1 1 448 448 ILE N N 448 118.874 118.874 119.426 -0.552 25931 73 1 . 1 1 448 448 ILE C C 448 177.504 177.504 178.139 -0.635 25931 74 1 . 1 1 448 448 ILE CA C 448 65.667 65.667 65.557 0.110 25931 75 1 . 1 1 448 448 ILE CB C 448 36.492 36.492 37.658 -1.166 25931 76 1 . 1 1 448 448 ILE H H 448 8.206 8.206 7.585 0.621 25931 77 1 . 1 1 449 449 VAL N N 449 118.932 118.932 119.879 -0.947 25931 78 1 . 1 1 449 449 VAL C C 449 179.107 179.107 178.142 0.965 25931 79 1 . 1 1 449 449 VAL CA C 449 66.917 66.917 66.914 0.003 25931 80 1 . 1 1 449 449 VAL CB C 449 30.226 30.226 31.402 -1.176 25931 81 1 . 1 1 449 449 VAL H H 449 8.271 8.271 7.571 0.700 25931 82 1 . 1 1 450 450 ILE N N 450 123.013 123.013 120.421 2.592 25931 83 1 . 1 1 450 450 ILE C C 450 177.092 177.092 178.028 -0.936 25931 84 1 . 1 1 450 450 ILE CA C 450 65.594 65.594 64.495 1.099 25931 85 1 . 1 1 450 450 ILE CB C 450 36.594 36.594 37.108 -0.514 25931 86 1 . 1 1 450 450 ILE H H 450 8.603 8.603 7.538 1.065 25931 87 1 . 1 1 451 451 PHE N N 451 119.352 119.352 119.091 0.261 25931 88 1 . 1 1 451 451 PHE C C 451 177.408 177.408 178.149 -0.741 25931 89 1 . 1 1 451 451 PHE CA C 451 61.389 61.389 62.508 -1.119 25931 90 1 . 1 1 451 451 PHE CB C 451 37.970 37.970 38.213 -0.243 25931 91 1 . 1 1 451 451 PHE H H 451 8.630 8.630 7.784 0.846 25931 92 1 . 1 1 452 452 LEU N N 452 118.462 118.462 119.462 -1.000 25931 93 1 . 1 1 452 452 LEU C C 452 177.959 177.959 178.900 -0.941 25931 94 1 . 1 1 452 452 LEU CA C 452 57.606 57.606 58.164 -0.558 25931 95 1 . 1 1 452 452 LEU CB C 452 40.924 40.924 41.523 -0.599 25931 96 1 . 1 1 452 452 LEU H H 452 8.732 8.732 8.191 0.541 25931 97 1 . 1 1 453 453 THR N N 453 116.076 116.076 116.587 -0.511 25931 98 1 . 1 1 453 453 THR C C 453 176.199 176.199 176.913 -0.714 25931 99 1 . 1 1 453 453 THR CA C 453 67.919 67.919 67.178 0.741 25931 100 1 . 1 1 453 453 THR CB C 453 67.006 67.006 68.560 -1.554 25931 101 1 . 1 1 453 453 THR H H 453 8.107 8.107 8.236 -0.129 25931 102 1 . 1 1 454 454 ILE N N 454 120.174 120.174 121.176 -1.002 25931 103 1 . 1 1 454 454 ILE C C 454 176.934 176.934 177.431 -0.497 25931 104 1 . 1 1 454 454 ILE CA C 454 65.145 65.145 64.784 0.361 25931 105 1 . 1 1 454 454 ILE CB C 454 36.595 36.595 37.432 -0.837 25931 106 1 . 1 1 454 454 ILE H H 454 8.050 8.050 8.285 -0.235 25931 107 1 . 1 1 455 455 ALA N N 455 121.197 121.197 122.892 -1.695 25931 108 1 . 1 1 455 455 ALA C C 455 178.897 178.897 179.729 -0.832 25931 109 1 . 1 1 455 455 ALA CA C 455 55.346 55.346 55.503 -0.157 25931 110 1 . 1 1 455 455 ALA CB C 455 17.074 17.074 18.122 -1.048 25931 111 1 . 1 1 455 455 ALA H H 455 8.255 8.255 7.971 0.284 25931 112 1 . 1 1 456 456 VAL N N 456 116.760 116.760 118.924 -2.164 25931 113 1 . 1 1 456 456 VAL C C 456 177.513 177.513 177.982 -0.469 25931 114 1 . 1 1 456 456 VAL CA C 456 66.494 66.494 66.509 -0.015 25931 115 1 . 1 1 456 456 VAL CB C 456 30.226 30.226 31.466 -1.240 25931 116 1 . 1 1 456 456 VAL H H 456 8.215 8.215 7.870 0.345 25931 117 1 . 1 1 457 457 LEU N N 457 119.491 119.491 119.903 -0.412 25931 118 1 . 1 1 457 457 LEU C C 457 179.589 179.589 179.234 0.355 25931 119 1 . 1 1 457 457 LEU CA C 457 58.056 58.056 58.056 0.000 25931 120 1 . 1 1 457 457 LEU CB C 457 40.414 40.414 41.584 -1.170 25931 121 1 . 1 1 457 457 LEU H H 457 8.157 8.157 7.544 0.613 25931 122 1 . 1 1 458 458 LEU N N 458 118.534 118.534 119.091 -0.557 25931 123 1 . 1 1 458 458 LEU C C 458 178.949 178.949 178.923 0.026 25931 124 1 . 1 1 458 458 LEU CA C 458 57.395 57.395 57.882 -0.487 25931 125 1 . 1 1 458 458 LEU CB C 458 40.615 40.615 41.351 -0.736 25931 126 1 . 1 1 458 458 LEU H H 458 8.562 8.562 8.201 0.361 25931 127 1 . 1 1 459 459 ALA N N 459 122.364 122.364 122.484 -0.120 25931 128 1 . 1 1 459 459 ALA C C 459 179.842 179.842 179.784 0.058 25931 129 1 . 1 1 459 459 ALA CA C 459 55.173 55.173 55.232 -0.059 25931 130 1 . 1 1 459 459 ALA CB C 459 17.083 17.083 18.250 -1.166 25931 131 1 . 1 1 459 459 ALA H H 459 8.403 8.403 8.228 0.175 25931 132 1 . 1 1 460 460 LEU N N 460 118.056 118.056 119.432 -1.376 25931 133 1 . 1 1 460 460 LEU C C 460 179.308 179.308 179.352 -0.044 25931 134 1 . 1 1 460 460 LEU CA C 460 57.673 57.673 57.747 -0.074 25931 135 1 . 1 1 460 460 LEU CB C 460 40.414 40.414 41.506 -1.092 25931 136 1 . 1 1 460 460 LEU H H 460 8.530 8.530 7.914 0.616 25931 137 1 . 1 1 461 461 ARG N N 461 119.570 119.570 119.394 0.176 25931 138 1 . 1 1 461 461 ARG C C 461 178.608 178.608 178.594 0.014 25931 139 1 . 1 1 461 461 ARG CA C 461 57.818 57.818 59.006 -1.188 25931 140 1 . 1 1 461 461 ARG CB C 461 28.607 28.607 29.896 -1.289 25931 141 1 . 1 1 461 461 ARG H H 461 8.051 8.051 7.635 0.416 25931 142 1 . 1 1 462 462 PHE N N 462 118.758 118.758 120.860 -2.102 25931 143 1 . 1 1 462 462 PHE C C 462 177.180 177.180 177.784 -0.604 25931 144 1 . 1 1 462 462 PHE CA C 462 60.701 60.701 61.490 -0.789 25931 145 1 . 1 1 462 462 PHE CB C 462 38.530 38.530 39.150 -0.620 25931 146 1 . 1 1 462 462 PHE H H 462 8.463 8.463 8.286 0.177 25931 147 1 . 1 1 463 463 CYS N N 463 116.550 116.550 117.439 -0.889 25931 148 1 . 1 1 463 463 CYS C C 463 176.092 176.092 177.245 -1.153 25931 149 1 . 1 1 463 463 CYS CA C 463 62.129 62.129 62.156 -0.027 25931 150 1 . 1 1 463 463 CYS CB C 463 26.966 26.966 27.392 -0.426 25931 151 1 . 1 1 463 463 CYS H H 463 8.317 8.317 8.826 -0.509 25931 152 1 . 1 1 464 464 GLY N N 464 107.731 107.731 110.027 -2.296 25931 153 1 . 1 1 464 464 GLY C C 464 174.972 174.972 175.921 -0.949 25931 154 1 . 1 1 464 464 GLY CA C 464 46.074 46.074 46.992 -0.918 25931 155 1 . 1 1 464 464 GLY H H 464 8.079 8.079 8.313 -0.234 25931 156 1 . 1 1 465 465 ILE N N 465 120.035 120.035 120.855 -0.820 25931 157 1 . 1 1 465 465 ILE C C 465 176.563 176.563 177.393 -0.830 25931 158 1 . 1 1 465 465 ILE CA C 465 62.500 62.500 63.717 -1.217 25931 159 1 . 1 1 465 465 ILE CB C 465 37.409 37.409 37.686 -0.277 25931 160 1 . 1 1 465 465 ILE H H 465 7.771 7.771 7.517 0.254 25931 161 1 . 1 1 466 466 TYR N N 466 118.754 118.754 117.344 1.410 25931 162 1 . 1 1 466 466 TYR C C 466 176.313 176.313 176.689 -0.376 25931 163 1 . 1 1 466 466 TYR CA C 466 58.506 58.506 59.544 -1.038 25931 164 1 . 1 1 466 466 TYR CB C 466 37.917 37.917 38.706 -0.789 25931 165 1 . 1 1 466 466 TYR H H 466 7.830 7.830 7.535 0.295 25931 166 1 . 1 1 467 467 GLY N N 467 108.001 108.001 105.576 2.425 25931 167 1 . 1 1 467 467 GLY C C 467 174.271 174.271 174.449 -0.178 25931 168 1 . 1 1 467 467 GLY CA C 467 45.624 45.624 45.223 0.401 25931 169 1 . 1 1 467 467 GLY H H 467 7.912 7.912 7.875 0.037 25931 170 1 . 1 1 468 468 TYR N N 468 119.906 119.906 119.446 0.460 25931 171 1 . 1 1 468 468 TYR C C 468 175.743 175.743 175.351 0.392 25931 172 1 . 1 1 468 468 TYR CA C 468 58.268 58.268 59.552 -1.284 25931 173 1 . 1 1 468 468 TYR CB C 468 37.613 37.613 38.255 -0.642 25931 174 1 . 1 1 468 468 TYR H H 468 7.891 7.891 8.085 -0.194 25931 175 1 . 1 1 469 469 ARG N N 469 120.994 120.994 121.410 -0.416 25931 176 1 . 1 1 469 469 ARG C C 469 175.945 175.945 175.871 0.074 25931 177 1 . 1 1 469 469 ARG CA C 469 55.536 55.536 56.697 -1.161 25931 178 1 . 1 1 469 469 ARG CB C 469 30.035 30.035 30.797 -0.762 25931 179 1 . 1 1 469 469 ARG H H 469 7.868 7.868 8.041 -0.173 25931 180 1 . 1 1 470 470 LEU N N 470 121.404 121.404 121.696 -0.292 25931 181 1 . 1 1 470 470 LEU C C 470 176.689 176.689 177.087 -0.398 25931 182 1 . 1 1 470 470 LEU CA C 470 54.908 54.908 54.912 -0.004 25931 183 1 . 1 1 470 470 LEU CB C 470 41.077 41.077 42.590 -1.513 25931 184 1 . 1 1 470 470 LEU H H 470 7.906 7.906 8.145 -0.239 25931 185 1 . 1 1 471 471 ARG N N 471 120.513 120.513 121.767 -1.254 25931 186 1 . 1 1 471 471 ARG C C 471 175.778 175.778 176.672 -0.894 25931 187 1 . 1 1 471 471 ARG CA C 471 55.358 55.358 56.688 -1.330 25931 188 1 . 1 1 471 471 ARG CB C 471 29.982 29.982 31.000 -1.018 25931 189 1 . 1 1 471 471 ARG H H 471 7.902 7.902 8.391 -0.489 25931 190 1 . 1 1 472 472 ARG N N 472 122.770 122.770 121.475 1.295 25931 191 1 . 1 1 472 472 ARG C C 472 175.428 175.428 176.458 -1.030 25931 192 1 . 1 1 472 472 ARG CA C 472 55.596 55.596 57.168 -1.572 25931 193 1 . 1 1 472 472 ARG CB C 472 29.982 29.982 30.806 -0.824 25931 194 1 . 1 1 472 472 ARG H H 472 8.220 8.220 8.394 -0.174 25931 stop_ save_