data_17742 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 17742 _Entry.PDB_ID 2LF8 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 17742 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 5 5 ARG N N 335 123.607 123.607 121.770 1.837 17742 2 1 1 . 1 1 5 5 ARG HA H 335 4.382 4.382 4.565 -0.183 17742 3 1 1 . 1 1 5 5 ARG CA C 335 56.926 56.926 55.390 1.536 17742 4 1 1 . 1 1 5 5 ARG H H 335 9.161 9.161 8.463 0.698 17742 5 1 1 . 1 1 6 6 LEU N N 336 122.412 122.412 120.531 1.881 17742 6 1 1 . 1 1 6 6 LEU CB C 336 42.172 42.172 41.714 0.459 17742 7 1 1 . 1 1 6 6 LEU H H 336 8.775 8.775 7.625 1.150 17742 8 1 1 . 1 1 7 7 LEU HA H 337 3.669 3.669 4.314 -0.645 17742 9 1 1 . 1 1 7 7 LEU CA C 337 59.053 59.053 58.771 0.282 17742 10 1 1 . 1 1 7 7 LEU CB C 337 40.447 40.447 41.892 -1.445 17742 11 1 1 . 1 1 8 8 TRP N N 338 114.197 114.197 115.496 -1.299 17742 12 1 1 . 1 1 8 8 TRP HA H 338 3.747 3.747 4.622 -0.875 17742 13 1 1 . 1 1 8 8 TRP CA C 338 60.071 60.071 58.944 1.127 17742 14 1 1 . 1 1 8 8 TRP CB C 338 28.481 28.481 28.508 -0.027 17742 15 1 1 . 1 1 8 8 TRP H H 338 7.595 7.595 7.490 0.105 17742 16 1 1 . 1 1 9 9 ASP HA H 339 3.648 3.648 4.628 -0.980 17742 17 1 1 . 1 1 9 9 ASP C C 339 177.491 177.491 177.929 -0.438 17742 18 1 1 . 1 1 9 9 ASP CA C 339 56.197 56.197 57.221 -1.024 17742 19 1 1 . 1 1 9 9 ASP CB C 339 41.702 41.702 40.939 0.763 17742 20 1 1 . 1 1 10 10 TYR N N 340 120.786 120.786 121.712 -0.926 17742 21 1 1 . 1 1 10 10 TYR HA H 340 3.851 3.851 4.101 -0.250 17742 22 1 1 . 1 1 10 10 TYR C C 340 177.016 177.016 177.721 -0.705 17742 23 1 1 . 1 1 10 10 TYR CA C 340 61.921 61.921 61.186 0.735 17742 24 1 1 . 1 1 10 10 TYR CB C 340 39.202 39.202 38.597 0.605 17742 25 1 1 . 1 1 10 10 TYR H H 340 7.929 7.929 7.675 0.254 17742 26 1 1 . 1 1 11 11 VAL N N 341 114.828 114.828 119.440 -4.612 17742 27 1 1 . 1 1 11 11 VAL HA H 341 2.982 2.982 3.499 -0.517 17742 28 1 1 . 1 1 11 11 VAL C C 341 176.795 176.795 177.285 -0.490 17742 29 1 1 . 1 1 11 11 VAL CA C 341 66.855 66.855 65.991 0.864 17742 30 1 1 . 1 1 11 11 VAL CB C 341 31.152 31.152 31.485 -0.333 17742 31 1 1 . 1 1 11 11 VAL H H 341 8.291 8.291 8.593 -0.302 17742 32 1 1 . 1 1 12 12 TYR N N 342 119.177 119.177 119.894 -0.717 17742 33 1 1 . 1 1 12 12 TYR HA H 342 3.617 3.617 3.874 -0.257 17742 34 1 1 . 1 1 12 12 TYR C C 342 178.765 178.765 176.810 1.955 17742 35 1 1 . 1 1 12 12 TYR CA C 342 62.960 62.960 61.075 1.885 17742 36 1 1 . 1 1 12 12 TYR CB C 342 38.232 38.232 38.304 -0.073 17742 37 1 1 . 1 1 12 12 TYR H H 342 7.712 7.712 7.835 -0.123 17742 38 1 1 . 1 1 13 13 GLN N N 343 118.873 118.873 118.098 0.775 17742 39 1 1 . 1 1 13 13 GLN HA H 343 3.833 3.833 3.987 -0.154 17742 40 1 1 . 1 1 13 13 GLN C C 343 179.917 179.917 178.647 1.270 17742 41 1 1 . 1 1 13 13 GLN CA C 343 58.821 58.821 58.191 0.630 17742 42 1 1 . 1 1 13 13 GLN CB C 343 27.649 27.649 28.597 -0.948 17742 43 1 1 . 1 1 13 13 GLN H H 343 8.076 8.076 7.471 0.605 17742 44 1 1 . 1 1 14 14 LEU N N 344 121.381 121.381 120.302 1.079 17742 45 1 1 . 1 1 14 14 LEU HA H 344 3.611 3.611 3.625 -0.014 17742 46 1 1 . 1 1 14 14 LEU C C 344 179.861 179.861 179.047 0.814 17742 47 1 1 . 1 1 14 14 LEU CA C 344 58.121 58.121 57.098 1.023 17742 48 1 1 . 1 1 14 14 LEU CB C 344 41.382 41.382 41.442 -0.060 17742 49 1 1 . 1 1 14 14 LEU H H 344 7.772 7.772 7.490 0.282 17742 50 1 1 . 1 1 15 15 LEU N N 345 116.801 116.801 116.425 0.376 17742 51 1 1 . 1 1 15 15 LEU HA H 345 3.513 3.513 3.970 -0.457 17742 52 1 1 . 1 1 15 15 LEU C C 345 178.221 178.221 177.971 0.250 17742 53 1 1 . 1 1 15 15 LEU CA C 345 56.568 56.568 56.463 0.105 17742 54 1 1 . 1 1 15 15 LEU CB C 345 41.431 41.431 41.165 0.266 17742 55 1 1 . 1 1 15 15 LEU H H 345 7.546 7.546 7.456 0.090 17742 56 1 1 . 1 1 16 16 SER N N 346 112.511 112.511 112.198 0.313 17742 57 1 1 . 1 1 16 16 SER HA H 346 4.542 4.542 4.517 0.025 17742 58 1 1 . 1 1 16 16 SER C C 346 172.510 172.510 174.058 -1.548 17742 59 1 1 . 1 1 16 16 SER CA C 346 58.891 58.891 58.291 0.600 17742 60 1 1 . 1 1 16 16 SER CB C 346 63.993 63.993 63.740 0.253 17742 61 1 1 . 1 1 16 16 SER H H 346 7.277 7.277 7.339 -0.062 17742 62 1 1 . 1 1 17 17 ASP N N 347 122.234 122.234 121.062 1.172 17742 63 1 1 . 1 1 17 17 ASP HA H 347 4.969 4.969 4.925 0.044 17742 64 1 1 . 1 1 17 17 ASP C C 347 175.703 175.703 176.125 -0.422 17742 65 1 1 . 1 1 17 17 ASP CA C 347 52.761 52.761 53.581 -0.820 17742 66 1 1 . 1 1 17 17 ASP CB C 347 43.427 43.427 43.989 -0.562 17742 67 1 1 . 1 1 17 17 ASP H H 347 7.353 7.353 7.538 -0.185 17742 68 1 1 . 1 1 18 18 SER N N 348 120.139 120.139 119.412 0.727 17742 69 1 1 . 1 1 18 18 SER HA H 348 4.371 4.371 4.344 0.027 17742 70 1 1 . 1 1 18 18 SER C C 348 176.259 176.259 176.188 0.071 17742 71 1 1 . 1 1 18 18 SER CA C 348 61.131 61.131 59.908 1.223 17742 72 1 1 . 1 1 18 18 SER CB C 348 63.177 63.177 63.166 0.011 17742 73 1 1 . 1 1 18 18 SER H H 348 8.691 8.691 8.852 -0.161 17742 74 1 1 . 1 1 19 19 ARG N N 349 122.716 122.716 123.152 -0.436 17742 75 1 1 . 1 1 19 19 ARG HA H 349 4.114 4.114 3.859 0.255 17742 76 1 1 . 1 1 19 19 ARG C C 349 178.154 178.154 177.890 0.264 17742 77 1 1 . 1 1 19 19 ARG CA C 349 58.531 58.531 58.933 -0.402 17742 78 1 1 . 1 1 19 19 ARG CB C 349 29.794 29.794 29.681 0.113 17742 79 1 1 . 1 1 19 19 ARG H H 349 8.586 8.586 7.468 1.118 17742 80 1 1 . 1 1 20 20 TYR N N 350 116.201 116.201 116.887 -0.686 17742 81 1 1 . 1 1 20 20 TYR HA H 350 4.883 4.883 4.810 0.073 17742 82 1 1 . 1 1 20 20 TYR C C 350 177.029 177.029 176.246 0.783 17742 83 1 1 . 1 1 20 20 TYR CA C 350 58.741 58.741 56.547 2.194 17742 84 1 1 . 1 1 20 20 TYR CB C 350 37.642 37.642 36.139 1.503 17742 85 1 1 . 1 1 20 20 TYR H H 350 8.291 8.291 7.384 0.907 17742 86 1 1 . 1 1 21 21 GLU N N 351 120.803 120.803 120.680 0.123 17742 87 1 1 . 1 1 21 21 GLU HA H 351 4.466 4.466 4.178 0.288 17742 88 1 1 . 1 1 21 21 GLU C C 351 176.324 176.324 177.393 -1.069 17742 89 1 1 . 1 1 21 21 GLU CA C 351 59.132 59.132 59.033 0.099 17742 90 1 1 . 1 1 21 21 GLU CB C 351 29.864 29.864 28.815 1.049 17742 91 1 1 . 1 1 21 21 GLU H H 351 7.513 7.513 7.824 -0.311 17742 92 1 1 . 1 1 22 22 ASN N N 352 114.531 114.531 115.240 -0.709 17742 93 1 1 . 1 1 22 22 ASN HA H 352 4.492 4.492 4.598 -0.106 17742 94 1 1 . 1 1 22 22 ASN C C 352 174.497 174.497 175.419 -0.922 17742 95 1 1 . 1 1 22 22 ASN CA C 352 54.122 54.122 53.665 0.457 17742 96 1 1 . 1 1 22 22 ASN CB C 352 36.935 36.935 38.972 -2.038 17742 97 1 1 . 1 1 22 22 ASN H H 352 8.649 8.649 8.077 0.572 17742 98 1 1 . 1 1 23 23 PHE N N 353 115.501 115.501 116.313 -0.812 17742 99 1 1 . 1 1 23 23 PHE HA H 353 4.751 4.751 4.591 0.160 17742 100 1 1 . 1 1 23 23 PHE C C 353 176.442 176.442 174.909 1.533 17742 101 1 1 . 1 1 23 23 PHE CB C 353 41.502 41.502 42.174 -0.672 17742 102 1 1 . 1 1 23 23 PHE H H 353 8.555 8.555 7.945 0.610 17742 103 1 1 . 1 1 24 24 ILE N N 354 120.734 120.734 117.837 2.897 17742 104 1 1 . 1 1 24 24 ILE HA H 354 5.059 5.059 5.010 0.049 17742 105 1 1 . 1 1 24 24 ILE C C 354 179.332 179.332 173.200 6.132 17742 106 1 1 . 1 1 24 24 ILE CA C 354 59.831 59.831 60.391 -0.560 17742 107 1 1 . 1 1 24 24 ILE CB C 354 40.623 40.623 41.935 -1.312 17742 108 1 1 . 1 1 24 24 ILE H H 354 8.428 8.428 8.733 -0.305 17742 109 1 1 . 1 1 25 25 ARG N N 355 121.187 121.187 123.240 -2.053 17742 110 1 1 . 1 1 25 25 ARG HA H 355 4.904 4.904 4.811 0.093 17742 111 1 1 . 1 1 25 25 ARG C C 355 175.152 175.152 174.032 1.120 17742 112 1 1 . 1 1 25 25 ARG CA C 355 54.529 54.529 54.244 0.285 17742 113 1 1 . 1 1 25 25 ARG CB C 355 33.599 33.599 33.349 0.250 17742 114 1 1 . 1 1 25 25 ARG H H 355 8.671 8.671 8.844 -0.173 17742 115 1 1 . 1 1 26 26 TRP N N 356 122.024 122.024 122.385 -0.361 17742 116 1 1 . 1 1 26 26 TRP HA H 356 4.884 4.884 4.772 0.112 17742 117 1 1 . 1 1 26 26 TRP C C 356 176.642 176.642 176.761 -0.119 17742 118 1 1 . 1 1 26 26 TRP CA C 356 57.960 57.960 57.711 0.249 17742 119 1 1 . 1 1 26 26 TRP CB C 356 30.634 30.634 29.684 0.950 17742 120 1 1 . 1 1 26 26 TRP H H 356 9.159 9.159 8.834 0.325 17742 121 1 1 . 1 1 27 27 GLU N N 357 125.331 125.331 124.946 0.385 17742 122 1 1 . 1 1 27 27 GLU HA H 357 4.681 4.681 4.452 0.229 17742 123 1 1 . 1 1 27 27 GLU C C 357 176.775 176.775 176.235 0.540 17742 124 1 1 . 1 1 27 27 GLU CA C 357 56.990 56.990 57.914 -0.924 17742 125 1 1 . 1 1 27 27 GLU CB C 357 31.579 31.579 30.989 0.590 17742 126 1 1 . 1 1 27 27 GLU H H 357 9.504 9.504 8.589 0.915 17742 127 1 1 . 1 1 28 28 ASP N N 358 116.213 116.213 119.183 -2.970 17742 128 1 1 . 1 1 28 28 ASP HA H 358 4.771 4.771 4.886 -0.115 17742 129 1 1 . 1 1 28 28 ASP C C 358 176.167 176.167 175.364 0.803 17742 130 1 1 . 1 1 28 28 ASP CA C 358 53.541 53.541 53.612 -0.071 17742 131 1 1 . 1 1 28 28 ASP CB C 358 41.932 41.932 42.209 -0.277 17742 132 1 1 . 1 1 28 28 ASP H H 358 7.846 7.846 8.316 -0.470 17742 133 1 1 . 1 1 29 29 LYS N N 359 127.762 127.762 125.676 2.086 17742 134 1 1 . 1 1 29 29 LYS HA H 359 3.157 3.157 3.406 -0.249 17742 135 1 1 . 1 1 29 29 LYS C C 359 178.776 178.776 177.830 0.946 17742 136 1 1 . 1 1 29 29 LYS CA C 359 60.229 60.229 58.664 1.565 17742 137 1 1 . 1 1 29 29 LYS CB C 359 32.734 32.734 32.164 0.570 17742 138 1 1 . 1 1 29 29 LYS H H 359 9.216 9.216 8.618 0.598 17742 139 1 1 . 1 1 30 30 GLU N N 360 119.601 119.601 118.980 0.621 17742 140 1 1 . 1 1 30 30 GLU HA H 360 3.925 3.925 4.073 -0.148 17742 141 1 1 . 1 1 30 30 GLU C C 360 178.684 178.684 178.074 0.610 17742 142 1 1 . 1 1 30 30 GLU CA C 360 59.570 59.570 58.578 0.992 17742 143 1 1 . 1 1 30 30 GLU CB C 360 29.177 29.177 29.659 -0.482 17742 144 1 1 . 1 1 30 30 GLU H H 360 8.340 8.340 8.021 0.319 17742 145 1 1 . 1 1 31 31 SER N N 361 113.301 113.301 113.355 -0.054 17742 146 1 1 . 1 1 31 31 SER HA H 361 4.494 4.494 4.374 0.120 17742 147 1 1 . 1 1 31 31 SER C C 361 172.357 172.357 174.247 -1.890 17742 148 1 1 . 1 1 31 31 SER CA C 361 58.807 58.807 60.448 -1.641 17742 149 1 1 . 1 1 31 31 SER CB C 361 63.768 63.768 63.671 0.097 17742 150 1 1 . 1 1 31 31 SER H H 361 7.463 7.463 8.819 -1.356 17742 151 1 1 . 1 1 32 32 LYS N N 362 115.170 115.170 113.706 1.464 17742 152 1 1 . 1 1 32 32 LYS HA H 362 3.910 3.910 4.204 -0.294 17742 153 1 1 . 1 1 32 32 LYS C C 362 175.500 175.500 175.259 0.241 17742 154 1 1 . 1 1 32 32 LYS CA C 362 57.630 57.630 56.973 0.657 17742 155 1 1 . 1 1 32 32 LYS CB C 362 29.801 29.801 29.802 -0.000 17742 156 1 1 . 1 1 32 32 LYS H H 362 7.752 7.752 7.734 0.018 17742 157 1 1 . 1 1 33 33 ILE N N 363 118.274 118.274 121.118 -2.844 17742 158 1 1 . 1 1 33 33 ILE HA H 363 5.375 5.375 5.011 0.364 17742 159 1 1 . 1 1 33 33 ILE C C 363 177.068 177.068 175.792 1.276 17742 160 1 1 . 1 1 33 33 ILE CA C 363 60.428 60.428 60.655 -0.227 17742 161 1 1 . 1 1 33 33 ILE CB C 363 40.206 40.206 37.888 2.318 17742 162 1 1 . 1 1 33 33 ILE H H 363 8.262 8.262 8.263 -0.001 17742 163 1 1 . 1 1 34 34 PHE N N 364 128.285 128.285 126.555 1.730 17742 164 1 1 . 1 1 34 34 PHE HA H 364 5.566 5.566 5.325 0.241 17742 165 1 1 . 1 1 34 34 PHE C C 364 179.560 179.560 172.971 6.589 17742 166 1 1 . 1 1 34 34 PHE CA C 364 55.080 55.080 55.107 -0.027 17742 167 1 1 . 1 1 34 34 PHE CB C 364 44.097 44.097 42.641 1.456 17742 168 1 1 . 1 1 34 34 PHE H H 364 9.936 9.936 9.232 0.704 17742 169 1 1 . 1 1 35 35 ARG N N 365 120.953 120.953 123.279 -2.326 17742 170 1 1 . 1 1 35 35 ARG HA H 365 5.484 5.484 4.621 0.863 17742 171 1 1 . 1 1 35 35 ARG C C 365 176.522 176.522 174.641 1.881 17742 172 1 1 . 1 1 35 35 ARG CA C 365 53.584 53.584 53.578 0.006 17742 173 1 1 . 1 1 35 35 ARG CB C 365 36.439 36.439 33.654 2.785 17742 174 1 1 . 1 1 35 35 ARG H H 365 9.430 9.430 9.138 0.292 17742 175 1 1 . 1 1 36 36 ILE N N 366 125.455 125.455 128.057 -2.602 17742 176 1 1 . 1 1 36 36 ILE HA H 366 4.201 4.201 3.992 0.209 17742 177 1 1 . 1 1 36 36 ILE C C 366 173.923 173.923 175.019 -1.096 17742 178 1 1 . 1 1 36 36 ILE CA C 366 63.110 63.110 62.434 0.676 17742 179 1 1 . 1 1 36 36 ILE CB C 366 37.964 37.964 37.405 0.559 17742 180 1 1 . 1 1 36 36 ILE H H 366 8.639 8.639 8.207 0.432 17742 181 1 1 . 1 1 37 37 VAL N N 367 129.251 129.251 128.393 0.858 17742 182 1 1 . 1 1 37 37 VAL HA H 367 3.674 3.674 3.817 -0.143 17742 183 1 1 . 1 1 37 37 VAL C C 367 175.948 175.948 175.755 0.193 17742 184 1 1 . 1 1 37 37 VAL CA C 367 64.171 64.171 65.306 -1.135 17742 185 1 1 . 1 1 37 37 VAL CB C 367 32.870 32.870 32.401 0.469 17742 186 1 1 . 1 1 37 37 VAL H H 367 7.839 7.839 8.556 -0.717 17742 187 1 1 . 1 1 38 38 ASP N N 368 114.991 114.991 119.516 -4.525 17742 188 1 1 . 1 1 38 38 ASP HA H 368 5.213 5.213 5.007 0.206 17742 189 1 1 . 1 1 38 38 ASP CA C 368 50.242 50.242 50.793 -0.551 17742 190 1 1 . 1 1 38 38 ASP CB C 368 42.169 42.169 41.784 0.385 17742 191 1 1 . 1 1 38 38 ASP H H 368 7.279 7.279 8.071 -0.792 17742 192 1 1 . 1 1 39 39 PRO HA H 369 3.794 3.794 4.393 -0.599 17742 193 1 1 . 1 1 39 39 PRO C C 369 178.037 178.037 178.181 -0.144 17742 194 1 1 . 1 1 39 39 PRO CA C 369 65.619 65.619 65.605 0.014 17742 195 1 1 . 1 1 39 39 PRO CB C 369 31.057 31.057 31.945 -0.888 17742 196 1 1 . 1 1 40 40 ASN N N 370 115.439 115.439 115.557 -0.118 17742 197 1 1 . 1 1 40 40 ASN HA H 370 4.596 4.596 4.616 -0.020 17742 198 1 1 . 1 1 40 40 ASN C C 370 178.570 178.570 177.968 0.602 17742 199 1 1 . 1 1 40 40 ASN CA C 370 56.501 56.501 56.660 -0.159 17742 200 1 1 . 1 1 40 40 ASN CB C 370 38.012 38.012 37.937 0.075 17742 201 1 1 . 1 1 40 40 ASN H H 370 8.121 8.121 8.545 -0.424 17742 202 1 1 . 1 1 41 41 GLY N N 371 111.317 111.317 108.723 2.594 17742 203 1 1 . 1 1 41 41 GLY C C 371 176.090 176.090 176.682 -0.592 17742 204 1 1 . 1 1 41 41 GLY CA C 371 47.932 47.932 47.011 0.921 17742 205 1 1 . 1 1 41 41 GLY H H 371 8.622 8.622 9.056 -0.434 17742 206 1 1 . 1 1 42 42 LEU N N 372 122.892 122.892 123.815 -0.923 17742 207 1 1 . 1 1 42 42 LEU HA H 372 4.031 4.031 4.281 -0.250 17742 208 1 1 . 1 1 42 42 LEU C C 372 177.766 177.766 178.884 -1.118 17742 209 1 1 . 1 1 42 42 LEU CA C 372 57.830 57.830 57.804 0.026 17742 210 1 1 . 1 1 42 42 LEU CB C 372 42.132 42.132 41.309 0.824 17742 211 1 1 . 1 1 42 42 LEU H H 372 8.881 8.881 8.691 0.190 17742 212 1 1 . 1 1 43 43 ALA N N 373 120.112 120.112 121.785 -1.673 17742 213 1 1 . 1 1 43 43 ALA HA H 373 4.458 4.458 4.146 0.312 17742 214 1 1 . 1 1 43 43 ALA C C 373 179.093 179.093 180.074 -0.981 17742 215 1 1 . 1 1 43 43 ALA CA C 373 55.451 55.451 55.175 0.276 17742 216 1 1 . 1 1 43 43 ALA CB C 373 18.324 18.324 18.502 -0.178 17742 217 1 1 . 1 1 43 43 ALA H H 373 8.072 8.072 8.638 -0.566 17742 218 1 1 . 1 1 44 44 ARG N N 374 117.916 117.916 118.741 -0.825 17742 219 1 1 . 1 1 44 44 ARG HA H 374 4.093 4.093 4.125 -0.032 17742 220 1 1 . 1 1 44 44 ARG C C 374 179.473 179.473 179.100 0.373 17742 221 1 1 . 1 1 44 44 ARG CA C 374 59.372 59.372 58.618 0.754 17742 222 1 1 . 1 1 44 44 ARG CB C 374 30.114 30.114 29.773 0.341 17742 223 1 1 . 1 1 44 44 ARG H H 374 7.769 7.769 8.067 -0.298 17742 224 1 1 . 1 1 45 45 LEU N N 375 121.489 121.489 120.458 1.031 17742 225 1 1 . 1 1 45 45 LEU HA H 375 4.007 4.007 4.078 -0.071 17742 226 1 1 . 1 1 45 45 LEU C C 375 180.049 180.049 179.420 0.629 17742 227 1 1 . 1 1 45 45 LEU CA C 375 58.390 58.390 58.291 0.099 17742 228 1 1 . 1 1 45 45 LEU CB C 375 41.552 41.552 41.625 -0.073 17742 229 1 1 . 1 1 45 45 LEU H H 375 7.903 7.903 8.579 -0.676 17742 230 1 1 . 1 1 46 46 TRP N N 376 121.466 121.466 121.270 0.196 17742 231 1 1 . 1 1 46 46 TRP HA H 376 4.089 4.089 3.890 0.199 17742 232 1 1 . 1 1 46 46 TRP C C 376 177.939 177.939 178.433 -0.494 17742 233 1 1 . 1 1 46 46 TRP CA C 376 60.022 60.022 60.767 -0.745 17742 234 1 1 . 1 1 46 46 TRP CB C 376 28.817 28.817 29.117 -0.300 17742 235 1 1 . 1 1 46 46 TRP H H 376 8.633 8.633 8.718 -0.085 17742 236 1 1 . 1 1 47 47 GLY N N 377 105.142 105.142 106.653 -1.511 17742 237 1 1 . 1 1 47 47 GLY C C 377 176.128 176.128 175.464 0.664 17742 238 1 1 . 1 1 47 47 GLY CA C 377 48.035 48.035 47.114 0.922 17742 239 1 1 . 1 1 47 47 GLY H H 377 8.828 8.828 8.855 -0.027 17742 240 1 1 . 1 1 48 48 ASN N N 378 120.327 120.327 121.244 -0.917 17742 241 1 1 . 1 1 48 48 ASN HA H 378 4.402 4.402 4.289 0.113 17742 242 1 1 . 1 1 48 48 ASN C C 378 178.625 178.625 177.705 0.920 17742 243 1 1 . 1 1 48 48 ASN CA C 378 56.231 56.231 56.091 0.140 17742 244 1 1 . 1 1 48 48 ASN CB C 378 38.132 38.132 38.555 -0.423 17742 245 1 1 . 1 1 48 48 ASN H H 378 8.212 8.212 8.510 -0.298 17742 246 1 1 . 1 1 49 49 HIS N N 379 121.871 121.871 119.984 1.887 17742 247 1 1 . 1 1 49 49 HIS HA H 379 4.205 4.205 4.165 0.040 17742 248 1 1 . 1 1 49 49 HIS C C 379 176.086 176.086 176.259 -0.173 17742 249 1 1 . 1 1 49 49 HIS CA C 379 59.390 59.390 58.786 0.604 17742 250 1 1 . 1 1 49 49 HIS CB C 379 29.564 29.564 29.487 0.077 17742 251 1 1 . 1 1 49 49 HIS H H 379 8.094 8.094 7.832 0.262 17742 252 1 1 . 1 1 50 50 LYS N N 380 115.181 115.181 116.155 -0.974 17742 253 1 1 . 1 1 50 50 LYS HA H 380 3.911 3.911 4.036 -0.125 17742 254 1 1 . 1 1 50 50 LYS C C 380 175.348 175.348 175.182 0.166 17742 255 1 1 . 1 1 50 50 LYS CA C 380 53.632 53.632 54.429 -0.797 17742 256 1 1 . 1 1 50 50 LYS CB C 380 30.742 30.742 30.561 0.180 17742 257 1 1 . 1 1 50 50 LYS H H 380 7.482 7.482 7.507 -0.025 17742 258 1 1 . 1 1 51 51 ASN N N 381 116.362 116.362 113.540 2.822 17742 259 1 1 . 1 1 51 51 ASN HA H 381 4.259 4.259 4.112 0.147 17742 260 1 1 . 1 1 51 51 ASN C C 381 174.400 174.400 174.705 -0.305 17742 261 1 1 . 1 1 51 51 ASN CA C 381 54.312 54.312 54.220 0.092 17742 262 1 1 . 1 1 51 51 ASN CB C 381 37.272 37.272 36.889 0.383 17742 263 1 1 . 1 1 51 51 ASN H H 381 7.753 7.753 7.596 0.157 17742 264 1 1 . 1 1 52 52 ARG N N 382 117.723 117.723 117.871 -0.148 17742 265 1 1 . 1 1 52 52 ARG HA H 382 4.658 4.658 4.590 0.068 17742 266 1 1 . 1 1 52 52 ARG C C 382 176.209 176.209 176.468 -0.259 17742 267 1 1 . 1 1 52 52 ARG CA C 382 53.668 53.668 53.553 0.115 17742 268 1 1 . 1 1 52 52 ARG CB C 382 32.212 32.212 31.836 0.376 17742 269 1 1 . 1 1 52 52 ARG H H 382 8.476 8.476 8.043 0.433 17742 270 1 1 . 1 1 53 53 THR N N 383 114.109 114.109 115.619 -1.510 17742 271 1 1 . 1 1 53 53 THR HA H 383 4.221 4.221 4.222 -0.001 17742 272 1 1 . 1 1 53 53 THR C C 383 174.644 174.644 175.130 -0.486 17742 273 1 1 . 1 1 53 53 THR CA C 383 62.187 62.187 63.778 -1.591 17742 274 1 1 . 1 1 53 53 THR CB C 383 69.710 69.710 69.103 0.607 17742 275 1 1 . 1 1 53 53 THR H H 383 8.333 8.333 8.634 -0.301 17742 276 1 1 . 1 1 54 54 ASN N N 384 118.768 118.768 121.666 -2.898 17742 277 1 1 . 1 1 54 54 ASN HA H 384 4.609 4.609 4.828 -0.219 17742 278 1 1 . 1 1 54 54 ASN C C 384 174.975 174.975 173.733 1.242 17742 279 1 1 . 1 1 54 54 ASN CA C 384 53.193 53.193 52.960 0.233 17742 280 1 1 . 1 1 54 54 ASN CB C 384 37.632 37.632 37.219 0.413 17742 281 1 1 . 1 1 54 54 ASN H H 384 8.521 8.521 8.538 -0.017 17742 282 1 1 . 1 1 55 55 MET N N 385 119.621 119.621 124.045 -4.424 17742 283 1 1 . 1 1 55 55 MET HA H 385 4.566 4.566 4.652 -0.086 17742 284 1 1 . 1 1 55 55 MET C C 385 175.078 175.078 174.783 0.295 17742 285 1 1 . 1 1 55 55 MET CA C 385 55.298 55.298 54.365 0.933 17742 286 1 1 . 1 1 55 55 MET CB C 385 31.244 31.244 33.331 -2.087 17742 287 1 1 . 1 1 55 55 MET H H 385 8.162 8.162 7.820 0.342 17742 288 1 1 . 1 1 56 56 THR N N 386 113.114 113.114 122.292 -9.178 17742 289 1 1 . 1 1 56 56 THR HA H 386 4.824 4.824 4.533 0.291 17742 290 1 1 . 1 1 56 56 THR C C 386 175.549 175.549 175.390 0.159 17742 291 1 1 . 1 1 56 56 THR CA C 386 59.060 59.060 60.866 -1.806 17742 292 1 1 . 1 1 56 56 THR CB C 386 72.290 72.290 70.376 1.914 17742 293 1 1 . 1 1 56 56 THR H H 386 7.031 7.031 8.259 -1.228 17742 294 1 1 . 1 1 57 57 TYR N N 387 123.401 123.401 125.195 -1.794 17742 295 1 1 . 1 1 57 57 TYR HA H 387 4.134 4.134 4.168 -0.034 17742 296 1 1 . 1 1 57 57 TYR C C 387 177.304 177.304 177.439 -0.135 17742 297 1 1 . 1 1 57 57 TYR CA C 387 62.300 62.300 63.314 -1.014 17742 298 1 1 . 1 1 57 57 TYR CB C 387 37.359 37.359 38.738 -1.379 17742 299 1 1 . 1 1 57 57 TYR H H 387 9.691 9.691 9.058 0.633 17742 300 1 1 . 1 1 58 58 GLU N N 388 120.999 120.999 117.446 3.553 17742 301 1 1 . 1 1 58 58 GLU HA H 388 3.823 3.823 4.165 -0.342 17742 302 1 1 . 1 1 58 58 GLU C C 388 179.213 179.213 178.359 0.854 17742 303 1 1 . 1 1 58 58 GLU CA C 388 60.477 60.477 59.746 0.731 17742 304 1 1 . 1 1 58 58 GLU CB C 388 28.895 28.895 28.529 0.366 17742 305 1 1 . 1 1 58 58 GLU H H 388 8.838 8.838 9.086 -0.248 17742 306 1 1 . 1 1 59 59 LYS N N 389 118.962 118.962 116.295 2.667 17742 307 1 1 . 1 1 59 59 LYS HA H 389 3.939 3.939 4.331 -0.392 17742 308 1 1 . 1 1 59 59 LYS C C 389 178.797 178.797 178.316 0.481 17742 309 1 1 . 1 1 59 59 LYS CA C 389 60.065 60.065 58.223 1.842 17742 310 1 1 . 1 1 59 59 LYS CB C 389 33.378 33.378 32.695 0.683 17742 311 1 1 . 1 1 59 59 LYS H H 389 7.506 7.506 7.334 0.172 17742 312 1 1 . 1 1 60 60 MET N N 390 120.087 120.087 119.087 1.000 17742 313 1 1 . 1 1 60 60 MET HA H 390 3.869 3.869 4.444 -0.575 17742 314 1 1 . 1 1 60 60 MET C C 390 178.146 178.146 177.517 0.629 17742 315 1 1 . 1 1 60 60 MET CA C 390 59.776 59.776 58.010 1.766 17742 316 1 1 . 1 1 60 60 MET CB C 390 33.462 33.462 33.736 -0.274 17742 317 1 1 . 1 1 60 60 MET H H 390 8.051 8.051 7.870 0.181 17742 318 1 1 . 1 1 61 61 SER N N 391 114.537 114.537 115.534 -0.997 17742 319 1 1 . 1 1 61 61 SER HA H 391 3.786 3.786 3.840 -0.054 17742 320 1 1 . 1 1 61 61 SER C C 391 176.380 176.380 176.220 0.160 17742 321 1 1 . 1 1 61 61 SER CA C 391 61.600 61.600 60.886 0.714 17742 322 1 1 . 1 1 61 61 SER CB C 391 62.251 62.251 62.749 -0.498 17742 323 1 1 . 1 1 61 61 SER H H 391 8.853 8.853 8.618 0.235 17742 324 1 1 . 1 1 62 62 ARG N N 392 122.214 122.214 120.715 1.499 17742 325 1 1 . 1 1 62 62 ARG HA H 392 3.928 3.928 4.046 -0.118 17742 326 1 1 . 1 1 62 62 ARG C C 392 178.732 178.732 178.187 0.545 17742 327 1 1 . 1 1 62 62 ARG CA C 392 59.490 59.490 58.132 1.358 17742 328 1 1 . 1 1 62 62 ARG CB C 392 30.207 30.207 29.324 0.883 17742 329 1 1 . 1 1 62 62 ARG H H 392 7.471 7.471 8.219 -0.748 17742 330 1 1 . 1 1 63 63 ALA N N 393 121.091 121.091 121.113 -0.022 17742 331 1 1 . 1 1 63 63 ALA HA H 393 4.162 4.162 4.217 -0.055 17742 332 1 1 . 1 1 63 63 ALA C C 393 179.699 179.699 179.328 0.371 17742 333 1 1 . 1 1 63 63 ALA CA C 393 54.722 54.722 54.329 0.393 17742 334 1 1 . 1 1 63 63 ALA CB C 393 18.154 18.154 18.354 -0.200 17742 335 1 1 . 1 1 63 63 ALA H H 393 7.376 7.376 7.548 -0.172 17742 336 1 1 . 1 1 64 64 LEU N N 394 117.568 117.568 118.858 -1.290 17742 337 1 1 . 1 1 64 64 LEU HA H 394 3.777 3.777 2.956 0.821 17742 338 1 1 . 1 1 64 64 LEU C C 394 178.085 178.085 178.104 -0.019 17742 339 1 1 . 1 1 64 64 LEU CA C 394 58.075 58.075 56.462 1.613 17742 340 1 1 . 1 1 64 64 LEU CB C 394 41.052 41.052 41.062 -0.010 17742 341 1 1 . 1 1 64 64 LEU H H 394 7.853 7.853 6.990 0.863 17742 342 1 1 . 1 1 65 65 ARG N N 395 116.111 116.111 118.801 -2.690 17742 343 1 1 . 1 1 65 65 ARG HA H 395 3.529 3.529 3.955 -0.426 17742 344 1 1 . 1 1 65 65 ARG C C 395 179.519 179.519 178.474 1.045 17742 345 1 1 . 1 1 65 65 ARG CA C 395 59.133 59.133 58.999 0.134 17742 346 1 1 . 1 1 65 65 ARG CB C 395 30.004 30.004 29.512 0.492 17742 347 1 1 . 1 1 65 65 ARG H H 395 7.521 7.521 8.074 -0.553 17742 348 1 1 . 1 1 66 66 HIS N N 396 118.081 118.081 116.598 1.483 17742 349 1 1 . 1 1 66 66 HIS HA H 396 4.436 4.436 4.441 -0.005 17742 350 1 1 . 1 1 66 66 HIS C C 396 177.826 177.826 177.917 -0.091 17742 351 1 1 . 1 1 66 66 HIS CA C 396 59.063 59.063 59.843 -0.780 17742 352 1 1 . 1 1 66 66 HIS CB C 396 30.154 30.154 30.057 0.097 17742 353 1 1 . 1 1 66 66 HIS H H 396 7.241 7.241 7.705 -0.464 17742 354 1 1 . 1 1 67 67 TYR N N 397 116.301 116.301 119.319 -3.018 17742 355 1 1 . 1 1 67 67 TYR HA H 397 4.128 4.128 4.256 -0.128 17742 356 1 1 . 1 1 67 67 TYR C C 397 179.075 179.075 178.135 0.940 17742 357 1 1 . 1 1 67 67 TYR CA C 397 61.525 61.525 59.067 2.458 17742 358 1 1 . 1 1 67 67 TYR CB C 397 37.522 37.522 36.566 0.956 17742 359 1 1 . 1 1 67 67 TYR H H 397 7.532 7.532 7.679 -0.147 17742 360 1 1 . 1 1 68 68 TYR N N 398 121.389 121.389 117.453 3.936 17742 361 1 1 . 1 1 68 68 TYR HA H 398 5.474 5.474 4.769 0.705 17742 362 1 1 . 1 1 68 68 TYR C C 398 172.285 172.285 178.023 -5.738 17742 363 1 1 . 1 1 68 68 TYR CA C 398 57.651 57.651 59.306 -1.655 17742 364 1 1 . 1 1 68 68 TYR CB C 398 37.055 37.055 37.593 -0.538 17742 365 1 1 . 1 1 68 68 TYR H H 398 8.061 8.061 7.486 0.575 17742 366 1 1 . 1 1 69 69 LYS N N 399 121.098 121.098 118.120 2.978 17742 367 1 1 . 1 1 69 69 LYS HA H 399 4.125 4.125 4.282 -0.157 17742 368 1 1 . 1 1 69 69 LYS C C 399 178.122 178.122 177.910 0.212 17742 369 1 1 . 1 1 69 69 LYS CA C 399 58.801 58.801 57.020 1.781 17742 370 1 1 . 1 1 69 69 LYS CB C 399 32.242 32.242 32.379 -0.137 17742 371 1 1 . 1 1 69 69 LYS H H 399 7.799 7.799 7.744 0.055 17742 372 1 1 . 1 1 70 70 LEU N N 400 116.117 116.117 119.062 -2.945 17742 373 1 1 . 1 1 70 70 LEU HA H 400 4.312 4.312 4.236 0.076 17742 374 1 1 . 1 1 70 70 LEU C C 400 175.903 175.903 176.238 -0.335 17742 375 1 1 . 1 1 70 70 LEU CA C 400 54.642 54.642 55.084 -0.442 17742 376 1 1 . 1 1 70 70 LEU CB C 400 42.796 42.796 41.361 1.435 17742 377 1 1 . 1 1 70 70 LEU H H 400 7.257 7.257 8.295 -1.038 17742 378 1 1 . 1 1 71 71 ASN N N 401 115.181 115.181 112.508 2.673 17742 379 1 1 . 1 1 71 71 ASN HA H 401 4.368 4.368 4.365 0.003 17742 380 1 1 . 1 1 71 71 ASN C C 401 173.597 173.597 175.596 -1.999 17742 381 1 1 . 1 1 71 71 ASN CA C 401 54.622 54.622 54.261 0.360 17742 382 1 1 . 1 1 71 71 ASN CB C 401 37.252 37.252 36.016 1.236 17742 383 1 1 . 1 1 71 71 ASN H H 401 8.061 8.061 8.335 -0.274 17742 384 1 1 . 1 1 72 72 ILE N N 402 114.031 114.031 117.031 -3.000 17742 385 1 1 . 1 1 72 72 ILE HA H 402 4.128 4.128 3.934 0.194 17742 386 1 1 . 1 1 72 72 ILE C C 402 176.467 176.467 175.593 0.874 17742 387 1 1 . 1 1 72 72 ILE CA C 402 63.720 63.720 64.281 -0.561 17742 388 1 1 . 1 1 72 72 ILE CB C 402 40.491 40.491 39.024 1.467 17742 389 1 1 . 1 1 72 72 ILE H H 402 8.104 8.104 8.240 -0.136 17742 390 1 1 . 1 1 73 73 ILE N N 403 116.973 116.973 116.584 0.389 17742 391 1 1 . 1 1 73 73 ILE HA H 403 5.014 5.014 5.194 -0.180 17742 392 1 1 . 1 1 73 73 ILE C C 403 174.039 174.039 174.061 -0.022 17742 393 1 1 . 1 1 73 73 ILE CA C 403 59.357 59.357 59.434 -0.077 17742 394 1 1 . 1 1 73 73 ILE CB C 403 43.362 43.362 41.878 1.484 17742 395 1 1 . 1 1 73 73 ILE H H 403 7.099 7.099 7.516 -0.417 17742 396 1 1 . 1 1 74 74 ARG N N 404 123.639 123.639 126.126 -2.487 17742 397 1 1 . 1 1 74 74 ARG HA H 404 4.771 4.771 4.918 -0.147 17742 398 1 1 . 1 1 74 74 ARG C C 404 174.917 174.917 174.549 0.368 17742 399 1 1 . 1 1 74 74 ARG CA C 404 54.261 54.261 53.928 0.333 17742 400 1 1 . 1 1 74 74 ARG CB C 404 34.689 34.689 33.957 0.732 17742 401 1 1 . 1 1 74 74 ARG H H 404 8.983 8.983 8.411 0.572 17742 402 1 1 . 1 1 75 75 LYS N N 405 125.665 125.665 121.579 4.086 17742 403 1 1 . 1 1 75 75 LYS HA H 405 4.071 4.071 4.689 -0.618 17742 404 1 1 . 1 1 75 75 LYS C C 405 176.525 176.525 176.153 0.372 17742 405 1 1 . 1 1 75 75 LYS CA C 405 56.470 56.470 55.599 0.871 17742 406 1 1 . 1 1 75 75 LYS CB C 405 32.649 32.649 33.152 -0.503 17742 407 1 1 . 1 1 75 75 LYS H H 405 8.263 8.263 8.369 -0.106 17742 408 1 1 . 1 1 76 76 GLU N N 406 128.072 128.072 124.770 3.302 17742 409 1 1 . 1 1 76 76 GLU HA H 406 4.432 4.432 4.427 0.005 17742 410 1 1 . 1 1 76 76 GLU CA C 406 53.747 53.747 54.580 -0.833 17742 411 1 1 . 1 1 76 76 GLU CB C 406 29.914 29.914 29.580 0.334 17742 412 1 1 . 1 1 76 76 GLU H H 406 8.024 8.024 8.923 -0.899 17742 413 1 1 . 1 1 77 77 PRO HA H 407 4.282 4.282 4.234 0.048 17742 414 1 1 . 1 1 77 77 PRO C C 407 177.719 177.719 177.565 0.154 17742 415 1 1 . 1 1 77 77 PRO CA C 407 63.407 63.407 64.220 -0.813 17742 416 1 1 . 1 1 77 77 PRO CB C 407 32.184 32.184 31.282 0.901 17742 417 1 1 . 1 1 78 78 GLY N N 408 109.716 109.716 111.749 -2.033 17742 418 1 1 . 1 1 78 78 GLY C C 408 174.053 174.053 173.904 0.149 17742 419 1 1 . 1 1 78 78 GLY CA C 408 45.519 45.519 44.995 0.524 17742 420 1 1 . 1 1 78 78 GLY H H 408 8.531 8.531 8.604 -0.073 17742 421 1 1 . 1 1 79 79 GLN N N 409 116.964 116.964 117.828 -0.864 17742 422 1 1 . 1 1 79 79 GLN HA H 409 4.488 4.488 4.720 -0.232 17742 423 1 1 . 1 1 79 79 GLN C C 409 175.390 175.390 175.074 0.316 17742 424 1 1 . 1 1 79 79 GLN CA C 409 54.359 54.359 54.243 0.116 17742 425 1 1 . 1 1 79 79 GLN CB C 409 31.202 31.202 31.558 -0.356 17742 426 1 1 . 1 1 79 79 GLN H H 409 7.559 7.559 7.669 -0.110 17742 427 1 1 . 1 1 80 80 ARG N N 410 120.457 120.457 119.901 0.556 17742 428 1 1 . 1 1 80 80 ARG HA H 410 4.262 4.262 4.347 -0.085 17742 429 1 1 . 1 1 80 80 ARG C C 410 176.270 176.270 176.883 -0.613 17742 430 1 1 . 1 1 80 80 ARG CA C 410 56.821 56.821 56.554 0.267 17742 431 1 1 . 1 1 80 80 ARG CB C 410 31.502 31.502 30.087 1.415 17742 432 1 1 . 1 1 80 80 ARG H H 410 8.251 8.251 8.457 -0.206 17742 433 1 1 . 1 1 81 81 LEU N N 411 119.348 119.348 120.440 -1.092 17742 434 1 1 . 1 1 81 81 LEU HA H 411 4.023 4.023 4.546 -0.523 17742 435 1 1 . 1 1 81 81 LEU C C 411 173.279 173.279 175.375 -2.096 17742 436 1 1 . 1 1 81 81 LEU CA C 411 55.030 55.030 53.616 1.414 17742 437 1 1 . 1 1 81 81 LEU CB C 411 40.335 40.335 41.433 -1.098 17742 438 1 1 . 1 1 81 81 LEU H H 411 8.435 8.435 8.031 0.404 17742 439 1 1 . 1 1 82 82 LEU N N 412 119.070 119.070 121.773 -2.703 17742 440 1 1 . 1 1 82 82 LEU HA H 412 5.013 5.013 4.377 0.636 17742 441 1 1 . 1 1 82 82 LEU C C 412 175.361 175.361 175.531 -0.170 17742 442 1 1 . 1 1 82 82 LEU CA C 412 53.212 53.212 53.893 -0.681 17742 443 1 1 . 1 1 82 82 LEU CB C 412 45.471 45.471 41.563 3.908 17742 444 1 1 . 1 1 82 82 LEU H H 412 6.751 6.751 7.442 -0.691 17742 445 1 1 . 1 1 83 83 PHE N N 413 122.184 122.184 124.728 -2.544 17742 446 1 1 . 1 1 83 83 PHE HA H 413 4.865 4.865 5.458 -0.593 17742 447 1 1 . 1 1 83 83 PHE C C 413 172.849 172.849 174.660 -1.811 17742 448 1 1 . 1 1 83 83 PHE CA C 413 55.921 55.921 54.254 1.667 17742 449 1 1 . 1 1 83 83 PHE CB C 413 44.569 44.569 42.616 1.953 17742 450 1 1 . 1 1 83 83 PHE H H 413 8.661 8.661 8.996 -0.335 17742 451 1 1 . 1 1 84 84 ARG N N 414 119.461 119.461 120.077 -0.616 17742 452 1 1 . 1 1 84 84 ARG HA H 414 5.581 5.581 5.259 0.322 17742 453 1 1 . 1 1 84 84 ARG C C 414 177.641 177.641 175.051 2.590 17742 454 1 1 . 1 1 84 84 ARG CA C 414 54.239 54.239 55.252 -1.013 17742 455 1 1 . 1 1 84 84 ARG CB C 414 36.198 36.198 33.850 2.348 17742 456 1 1 . 1 1 84 84 ARG H H 414 9.098 9.098 8.982 0.116 17742 457 1 1 . 1 1 85 85 PHE N N 415 124.274 124.274 127.972 -3.698 17742 458 1 1 . 1 1 85 85 PHE HA H 415 5.027 5.027 5.011 0.016 17742 459 1 1 . 1 1 85 85 PHE C C 415 176.117 176.117 176.188 -0.071 17742 460 1 1 . 1 1 85 85 PHE CA C 415 59.657 59.657 59.357 0.300 17742 461 1 1 . 1 1 85 85 PHE CB C 415 40.819 40.819 38.088 2.731 17742 462 1 1 . 1 1 85 85 PHE H H 415 8.928 8.928 9.552 -0.624 17742 463 1 1 . 1 1 86 86 MET N N 416 121.081 121.081 122.054 -0.973 17742 464 1 1 . 1 1 86 86 MET HA H 416 4.656 4.656 4.264 0.392 17742 465 1 1 . 1 1 86 86 MET C C 416 176.444 176.444 176.461 -0.017 17742 466 1 1 . 1 1 86 86 MET CA C 416 54.681 54.681 58.103 -3.422 17742 467 1 1 . 1 1 86 86 MET CB C 416 31.698 31.698 32.931 -1.233 17742 468 1 1 . 1 1 86 86 MET H H 416 8.676 8.676 8.516 0.160 17742 469 1 1 . 1 1 87 87 LYS N N 417 117.772 117.772 113.671 4.101 17742 470 1 1 . 1 1 87 87 LYS HA H 417 4.899 4.899 4.862 0.037 17742 471 1 1 . 1 1 87 87 LYS C C 417 175.621 175.621 174.927 0.694 17742 472 1 1 . 1 1 87 87 LYS CA C 417 54.522 54.522 54.614 -0.092 17742 473 1 1 . 1 1 87 87 LYS CB C 417 37.905 37.905 35.554 2.351 17742 474 1 1 . 1 1 87 87 LYS H H 417 7.624 7.624 7.441 0.183 17742 475 1 1 . 1 1 88 88 THR N N 418 112.426 112.426 111.303 1.123 17742 476 1 1 . 1 1 88 88 THR HA H 418 4.372 4.372 4.437 -0.065 17742 477 1 1 . 1 1 88 88 THR CA C 418 59.786 59.786 58.513 1.273 17742 478 1 1 . 1 1 88 88 THR CB C 418 68.040 68.040 67.990 0.050 17742 479 1 1 . 1 1 88 88 THR H H 418 8.787 8.787 9.144 -0.357 17742 480 1 1 . 1 1 89 89 PRO HA H 419 3.654 3.654 3.072 0.582 17742 481 1 1 . 1 1 89 89 PRO C C 419 177.412 177.412 178.645 -1.233 17742 482 1 1 . 1 1 89 89 PRO CA C 419 65.712 65.712 66.200 -0.488 17742 483 1 1 . 1 1 89 89 PRO CB C 419 31.762 31.762 31.625 0.137 17742 484 1 1 . 1 1 90 90 ASP N N 420 114.221 114.221 113.874 0.347 17742 485 1 1 . 1 1 90 90 ASP HA H 420 4.224 4.224 4.251 -0.027 17742 486 1 1 . 1 1 90 90 ASP C C 420 178.341 178.341 176.843 1.498 17742 487 1 1 . 1 1 90 90 ASP CA C 420 56.657 56.657 56.513 0.144 17742 488 1 1 . 1 1 90 90 ASP CB C 420 40.642 40.642 40.740 -0.098 17742 489 1 1 . 1 1 90 90 ASP H H 420 7.958 7.958 8.326 -0.368 17742 490 1 1 . 1 1 91 91 GLU N N 421 119.443 119.443 117.175 2.268 17742 491 1 1 . 1 1 91 91 GLU HA H 421 4.006 4.006 4.041 -0.035 17742 492 1 1 . 1 1 91 91 GLU C C 421 179.238 179.238 179.011 0.227 17742 493 1 1 . 1 1 91 91 GLU CA C 421 58.458 58.458 58.214 0.244 17742 494 1 1 . 1 1 91 91 GLU CB C 421 30.774 30.774 29.876 0.898 17742 495 1 1 . 1 1 91 91 GLU H H 421 7.628 7.628 7.502 0.126 17742 496 1 1 . 1 1 92 92 ILE N N 422 120.617 120.617 120.821 -0.204 17742 497 1 1 . 1 1 92 92 ILE HA H 422 3.589 3.589 3.497 0.092 17742 498 1 1 . 1 1 92 92 ILE C C 422 178.124 178.124 177.142 0.982 17742 499 1 1 . 1 1 92 92 ILE CA C 422 63.878 63.878 64.674 -0.796 17742 500 1 1 . 1 1 92 92 ILE CB C 422 38.142 38.142 37.495 0.647 17742 501 1 1 . 1 1 92 92 ILE H H 422 7.896 7.896 8.071 -0.175 17742 502 1 1 . 1 1 93 93 MET N N 423 117.857 117.857 116.640 1.217 17742 503 1 1 . 1 1 93 93 MET HA H 423 4.365 4.365 4.257 0.108 17742 504 1 1 . 1 1 93 93 MET C C 423 177.009 177.009 177.096 -0.087 17742 505 1 1 . 1 1 93 93 MET CA C 423 56.527 56.527 56.800 -0.273 17742 506 1 1 . 1 1 93 93 MET CB C 423 32.617 32.617 31.418 1.199 17742 507 1 1 . 1 1 93 93 MET H H 423 8.161 8.161 8.153 0.008 17742 508 1 1 . 1 1 94 94 SER N N 424 114.591 114.591 115.216 -0.625 17742 509 1 1 . 1 1 94 94 SER HA H 424 4.406 4.406 4.273 0.133 17742 510 1 1 . 1 1 94 94 SER C C 424 175.262 175.262 175.362 -0.100 17742 511 1 1 . 1 1 94 94 SER CA C 424 59.482 59.482 59.946 -0.464 17742 512 1 1 . 1 1 94 94 SER CB C 424 63.466 63.466 63.572 -0.106 17742 513 1 1 . 1 1 94 94 SER H H 424 7.744 7.744 7.565 0.179 17742 514 1 1 . 1 1 95 95 GLY N N 425 109.590 109.590 107.165 2.425 17742 515 1 1 . 1 1 95 95 GLY C C 425 174.197 174.197 175.559 -1.362 17742 516 1 1 . 1 1 95 95 GLY CA C 425 45.122 45.122 45.645 -0.523 17742 517 1 1 . 1 1 95 95 GLY H H 425 7.970 7.970 7.685 0.285 17742 518 1 1 . 1 1 96 96 ARG N N 426 119.792 119.792 121.229 -1.437 17742 519 1 1 . 1 1 96 96 ARG HA H 426 4.567 4.567 4.499 0.068 17742 520 1 1 . 1 1 96 96 ARG C C 426 177.866 177.866 177.379 0.487 17742 521 1 1 . 1 1 96 96 ARG CA C 426 55.757 55.757 55.081 0.675 17742 522 1 1 . 1 1 96 96 ARG CB C 426 30.059 30.059 29.239 0.820 17742 523 1 1 . 1 1 96 96 ARG H H 426 8.144 8.144 7.826 0.318 17742 524 1 1 . 1 1 97 97 THR N N 427 114.770 114.770 111.012 3.758 17742 525 1 1 . 1 1 97 97 THR HA H 427 4.221 4.221 4.310 -0.089 17742 526 1 1 . 1 1 97 97 THR C C 427 175.449 175.449 175.733 -0.284 17742 527 1 1 . 1 1 97 97 THR CA C 427 63.411 63.411 65.321 -1.910 17742 528 1 1 . 1 1 97 97 THR CB C 427 69.080 69.080 68.748 0.332 17742 529 1 1 . 1 1 97 97 THR H H 427 8.427 8.427 8.066 0.361 17742 530 1 1 . 1 1 98 98 ASP N N 428 122.017 122.017 121.765 0.252 17742 531 1 1 . 1 1 98 98 ASP HA H 428 4.404 4.404 4.474 -0.070 17742 532 1 1 . 1 1 98 98 ASP C C 428 178.042 178.042 178.158 -0.116 17742 533 1 1 . 1 1 98 98 ASP CA C 428 56.438 56.438 57.173 -0.735 17742 534 1 1 . 1 1 98 98 ASP CB C 428 40.012 40.012 39.882 0.130 17742 535 1 1 . 1 1 98 98 ASP H H 428 8.659 8.659 7.950 0.709 17742 536 1 1 . 1 1 99 99 ARG N N 429 120.083 120.083 119.771 0.312 17742 537 1 1 . 1 1 99 99 ARG HA H 429 4.190 4.190 4.151 0.039 17742 538 1 1 . 1 1 99 99 ARG C C 429 178.236 178.236 178.040 0.196 17742 539 1 1 . 1 1 99 99 ARG CA C 429 58.307 58.307 58.880 -0.573 17742 540 1 1 . 1 1 99 99 ARG CB C 429 30.073 30.073 30.170 -0.097 17742 541 1 1 . 1 1 99 99 ARG H H 429 8.011 8.011 7.655 0.356 17742 542 1 1 . 1 1 100 100 LEU N N 430 119.784 119.784 120.129 -0.345 17742 543 1 1 . 1 1 100 100 LEU HA H 430 4.048 4.048 4.072 -0.024 17742 544 1 1 . 1 1 100 100 LEU C C 430 178.209 178.209 178.665 -0.456 17742 545 1 1 . 1 1 100 100 LEU CA C 430 57.535 57.535 57.718 -0.183 17742 546 1 1 . 1 1 100 100 LEU CB C 430 42.218 42.218 41.776 0.442 17742 547 1 1 . 1 1 100 100 LEU H H 430 7.667 7.667 7.850 -0.183 17742 548 1 1 . 1 1 101 101 GLU N N 431 119.434 119.434 118.388 1.046 17742 549 1 1 . 1 1 101 101 GLU HA H 431 3.962 3.962 4.001 -0.039 17742 550 1 1 . 1 1 101 101 GLU C C 431 178.773 178.773 179.216 -0.443 17742 551 1 1 . 1 1 101 101 GLU CA C 431 59.470 59.470 59.433 0.037 17742 552 1 1 . 1 1 101 101 GLU CB C 431 29.667 29.667 29.434 0.233 17742 553 1 1 . 1 1 101 101 GLU H H 431 8.339 8.339 8.836 -0.497 17742 554 1 1 . 1 1 102 102 HIS N N 432 118.026 118.026 118.257 -0.231 17742 555 1 1 . 1 1 102 102 HIS HA H 432 4.463 4.463 4.423 0.040 17742 556 1 1 . 1 1 102 102 HIS C C 432 177.322 177.322 177.239 0.083 17742 557 1 1 . 1 1 102 102 HIS CA C 432 58.432 58.432 58.723 -0.291 17742 558 1 1 . 1 1 102 102 HIS CB C 432 29.237 29.237 30.355 -1.119 17742 559 1 1 . 1 1 102 102 HIS H H 432 7.995 7.995 7.481 0.514 17742 560 1 1 . 1 1 103 103 LEU N N 433 120.785 120.785 120.771 0.014 17742 561 1 1 . 1 1 103 103 LEU HA H 433 3.971 3.971 4.090 -0.119 17742 562 1 1 . 1 1 103 103 LEU C C 433 179.014 179.014 178.421 0.593 17742 563 1 1 . 1 1 103 103 LEU CA C 433 57.570 57.570 57.565 0.005 17742 564 1 1 . 1 1 103 103 LEU CB C 433 41.606 41.606 41.307 0.299 17742 565 1 1 . 1 1 103 103 LEU H H 433 8.077 8.077 8.152 -0.075 17742 566 1 1 . 1 1 104 104 GLU N N 434 119.107 119.107 119.616 -0.509 17742 567 1 1 . 1 1 104 104 GLU HA H 434 4.025 4.025 4.022 0.003 17742 568 1 1 . 1 1 104 104 GLU C C 434 178.187 178.187 179.255 -1.068 17742 569 1 1 . 1 1 104 104 GLU CA C 434 60.221 60.221 60.277 -0.056 17742 570 1 1 . 1 1 104 104 GLU CB C 434 30.104 30.104 29.220 0.884 17742 571 1 1 . 1 1 104 104 GLU H H 434 8.443 8.443 8.602 -0.159 17742 572 1 1 . 1 1 105 105 SER N N 435 114.129 114.129 112.290 1.839 17742 573 1 1 . 1 1 105 105 SER HA H 435 4.204 4.204 4.067 0.137 17742 574 1 1 . 1 1 105 105 SER C C 435 175.924 175.924 176.382 -0.458 17742 575 1 1 . 1 1 105 105 SER CA C 435 61.303 61.303 62.118 -0.815 17742 576 1 1 . 1 1 105 105 SER CB C 435 63.070 63.070 62.735 0.335 17742 577 1 1 . 1 1 105 105 SER H H 435 8.041 8.041 8.260 -0.219 17742 578 1 1 . 1 1 106 106 GLN N N 436 120.201 120.201 120.004 0.197 17742 579 1 1 . 1 1 106 106 GLN HA H 436 4.124 4.124 4.221 -0.097 17742 580 1 1 . 1 1 106 106 GLN C C 436 178.242 178.242 178.397 -0.155 17742 581 1 1 . 1 1 106 106 GLN CA C 436 58.242 58.242 58.293 -0.051 17742 582 1 1 . 1 1 106 106 GLN CB C 436 29.001 29.001 29.226 -0.225 17742 583 1 1 . 1 1 106 106 GLN H H 436 7.823 7.823 7.700 0.123 17742 584 1 1 . 1 1 107 107 VAL N N 437 117.503 117.503 121.114 -3.611 17742 585 1 1 . 1 1 107 107 VAL HA H 437 3.955 3.955 4.017 -0.062 17742 586 1 1 . 1 1 107 107 VAL C C 437 177.462 177.462 177.174 0.288 17742 587 1 1 . 1 1 107 107 VAL CA C 437 64.414 64.414 65.745 -1.331 17742 588 1 1 . 1 1 107 107 VAL CB C 437 32.192 32.192 32.007 0.185 17742 589 1 1 . 1 1 107 107 VAL H H 437 7.711 7.711 8.587 -0.876 17742 590 1 1 . 1 1 108 108 LEU HA H 438 4.072 4.072 4.208 -0.136 17742 591 1 1 . 1 1 108 108 LEU C C 438 177.614 177.614 176.896 0.718 17742 592 1 1 . 1 1 108 108 LEU CA C 438 56.521 56.521 55.841 0.680 17742 593 1 1 . 1 1 108 108 LEU CB C 438 42.149 42.149 41.328 0.821 17742 594 1 1 . 1 1 109 109 ASP N N 439 118.500 118.500 117.228 1.272 17742 595 1 1 . 1 1 109 109 ASP HA H 439 4.685 4.685 4.692 -0.007 17742 596 1 1 . 1 1 109 109 ASP C C 439 176.372 176.372 177.134 -0.762 17742 597 1 1 . 1 1 109 109 ASP CA C 439 54.653 54.653 54.498 0.155 17742 598 1 1 . 1 1 109 109 ASP CB C 439 41.425 41.425 42.501 -1.076 17742 599 1 1 . 1 1 109 109 ASP H H 439 7.872 7.872 7.889 -0.017 17742 600 1 1 . 1 1 110 110 GLU N N 440 120.701 120.701 118.729 1.972 17742 601 1 1 . 1 1 110 110 GLU HA H 440 4.188 4.188 4.082 0.106 17742 602 1 1 . 1 1 110 110 GLU C C 440 176.739 176.739 177.517 -0.778 17742 603 1 1 . 1 1 110 110 GLU CA C 440 57.310 57.310 58.729 -1.419 17742 604 1 1 . 1 1 110 110 GLU CB C 440 30.091 30.091 30.120 -0.029 17742 605 1 1 . 1 1 110 110 GLU H H 440 7.929 7.929 8.436 -0.507 17742 606 1 1 . 1 1 111 111 GLN N N 441 120.829 120.829 116.760 4.069 17742 607 1 1 . 1 1 111 111 GLN HA H 441 4.341 4.341 4.472 -0.131 17742 608 1 1 . 1 1 111 111 GLN C C 441 176.214 176.214 176.327 -0.113 17742 609 1 1 . 1 1 111 111 GLN CA C 441 56.103 56.103 55.102 1.001 17742 610 1 1 . 1 1 111 111 GLN CB C 441 29.607 29.607 29.805 -0.198 17742 611 1 1 . 1 1 111 111 GLN H H 441 8.434 8.434 7.647 0.787 17742 612 1 1 . 1 1 112 112 THR N N 442 114.861 114.861 114.102 0.759 17742 613 1 1 . 1 1 112 112 THR HA H 442 4.258 4.258 4.339 -0.081 17742 614 1 1 . 1 1 112 112 THR C C 442 174.095 174.095 175.745 -1.650 17742 615 1 1 . 1 1 112 112 THR CA C 442 62.140 62.140 62.024 0.116 17742 616 1 1 . 1 1 112 112 THR CB C 442 69.870 69.870 69.509 0.361 17742 617 1 1 . 1 1 112 112 THR H H 442 8.038 8.038 8.502 -0.464 17742 618 1 1 . 1 1 113 113 TYR N N 443 122.709 122.709 121.100 1.609 17742 619 1 1 . 1 1 113 113 TYR HA H 443 4.552 4.552 4.425 0.127 17742 620 1 1 . 1 1 113 113 TYR C C 443 175.303 175.303 174.686 0.617 17742 621 1 1 . 1 1 113 113 TYR CA C 443 57.921 57.921 56.313 1.608 17742 622 1 1 . 1 1 113 113 TYR CB C 443 38.982 38.982 36.068 2.914 17742 623 1 1 . 1 1 113 113 TYR H H 443 8.171 8.171 8.453 -0.282 17742 624 1 1 . 1 1 114 114 GLN N N 444 122.768 122.768 116.623 6.145 17742 625 1 1 . 1 1 114 114 GLN HA H 444 4.284 4.284 3.732 0.552 17742 626 1 1 . 1 1 114 114 GLN C C 444 175.372 175.372 175.050 0.322 17742 627 1 1 . 1 1 114 114 GLN CA C 444 55.543 55.543 56.356 -0.813 17742 628 1 1 . 1 1 114 114 GLN CB C 444 29.894 29.894 26.855 3.038 17742 629 1 1 . 1 1 114 114 GLN H H 444 8.202 8.202 7.975 0.227 17742 630 1 1 . 1 1 115 115 GLU N N 445 122.370 122.370 118.434 3.936 17742 631 1 1 . 1 1 115 115 GLU HA H 445 4.225 4.225 3.703 0.522 17742 632 1 1 . 1 1 115 115 GLU C C 445 176.058 176.058 175.737 0.321 17742 633 1 1 . 1 1 115 115 GLU CA C 445 56.612 56.612 56.953 -0.341 17742 634 1 1 . 1 1 115 115 GLU CB C 445 30.517 30.517 29.596 0.921 17742 635 1 1 . 1 1 115 115 GLU H H 445 8.371 8.371 7.537 0.834 17742 636 1 1 . 1 1 116 116 ASP N N 446 121.090 121.090 126.266 -5.176 17742 637 1 1 . 1 1 116 116 ASP HA H 446 4.595 4.595 4.513 0.082 17742 638 1 1 . 1 1 116 116 ASP C C 446 175.872 175.872 176.047 -0.175 17742 639 1 1 . 1 1 116 116 ASP CA C 446 54.382 54.382 55.189 -0.807 17742 640 1 1 . 1 1 116 116 ASP CB C 446 41.402 41.402 41.204 0.198 17742 641 1 1 . 1 1 116 116 ASP H H 446 8.336 8.336 8.525 -0.189 17742 642 1 1 . 1 1 117 117 GLU N N 447 121.977 121.977 120.474 1.503 17742 643 1 1 . 1 1 117 117 GLU HA H 447 4.575 4.575 4.791 -0.216 17742 644 1 1 . 1 1 117 117 GLU CA C 447 54.442 54.442 53.085 1.357 17742 645 1 1 . 1 1 117 117 GLU CB C 447 30.254 30.254 29.519 0.735 17742 646 1 1 . 1 1 117 117 GLU H H 447 8.194 8.194 8.241 -0.047 17742 647 1 1 . 1 1 118 118 PRO HA H 448 4.461 4.461 4.839 -0.378 17742 648 1 1 . 1 1 118 118 PRO C C 448 177.160 177.160 176.179 0.981 17742 649 1 1 . 1 1 118 118 PRO CA C 448 63.371 63.371 63.152 0.219 17742 650 1 1 . 1 1 118 118 PRO CB C 448 32.302 32.302 31.127 1.175 17742 651 1 1 . 1 1 119 119 THR N N 449 114.788 114.788 118.270 -3.482 17742 652 1 1 . 1 1 119 119 THR HA H 449 4.292 4.292 4.598 -0.306 17742 653 1 1 . 1 1 119 119 THR C C 449 174.664 174.664 173.482 1.182 17742 654 1 1 . 1 1 119 119 THR CA C 449 62.117 62.117 60.267 1.850 17742 655 1 1 . 1 1 119 119 THR CB C 449 69.861 69.861 71.204 -1.343 17742 656 1 1 . 1 1 119 119 THR H H 449 8.235 8.235 8.179 0.056 17742 657 1 1 . 1 1 120 120 ILE N N 450 123.074 123.074 126.359 -3.285 17742 658 1 1 . 1 1 120 120 ILE HA H 450 4.169 4.169 4.588 -0.419 17742 659 1 1 . 1 1 120 120 ILE C C 450 175.683 175.683 176.153 -0.470 17742 660 1 1 . 1 1 120 120 ILE CA C 450 60.987 60.987 59.299 1.688 17742 661 1 1 . 1 1 120 120 ILE CB C 450 38.983 38.983 36.364 2.619 17742 662 1 1 . 1 1 120 120 ILE H H 450 8.043 8.043 8.684 -0.641 17742 663 1 1 . 1 1 121 121 ALA N N 451 128.011 128.011 130.188 -2.177 17742 664 1 1 . 1 1 121 121 ALA HA H 451 4.332 4.332 4.371 -0.039 17742 665 1 1 . 1 1 121 121 ALA C C 451 177.333 177.333 177.209 0.124 17742 666 1 1 . 1 1 121 121 ALA CA C 451 52.364 52.364 53.251 -0.887 17742 667 1 1 . 1 1 121 121 ALA CB C 451 19.534 19.534 20.071 -0.537 17742 668 1 1 . 1 1 121 121 ALA H H 451 8.277 8.277 8.826 -0.549 17742 669 1 1 . 1 1 122 122 SER N N 452 116.575 116.575 112.362 4.213 17742 670 1 1 . 1 1 122 122 SER HA H 452 4.672 4.672 4.747 -0.075 17742 671 1 1 . 1 1 122 122 SER CA C 452 56.230 56.230 55.695 0.535 17742 672 1 1 . 1 1 122 122 SER CB C 452 63.460 63.460 64.513 -1.053 17742 673 1 1 . 1 1 122 122 SER H H 452 8.161 8.161 7.484 0.677 17742 674 1 1 . 1 1 123 123 PRO HA H 453 4.395 4.395 4.356 0.039 17742 675 1 1 . 1 1 123 123 PRO C C 453 176.993 176.993 175.720 1.273 17742 676 1 1 . 1 1 123 123 PRO CA C 453 63.303 63.303 63.619 -0.316 17742 677 1 1 . 1 1 123 123 PRO CB C 453 32.149 32.149 31.461 0.688 17742 678 1 1 . 1 1 124 124 VAL N N 454 119.733 119.733 123.943 -4.210 17742 679 1 1 . 1 1 124 124 VAL HA H 454 4.010 4.010 4.040 -0.030 17742 680 1 1 . 1 1 124 124 VAL CA C 454 62.674 62.674 61.708 0.966 17742 681 1 1 . 1 1 124 124 VAL CB C 454 32.669 32.669 32.508 0.161 17742 682 1 1 . 1 1 124 124 VAL H H 454 8.058 8.058 8.020 0.038 17742 683 1 1 . 1 1 125 125 GLY N N 455 111.901 111.901 110.407 1.494 17742 684 1 1 . 1 1 125 125 GLY CA C 455 45.152 45.152 44.918 0.234 17742 685 1 1 . 1 1 125 125 GLY H H 455 8.255 8.255 7.962 0.293 17742 686 1 1 . 1 1 126 126 TRP N N 456 122.405 122.405 122.864 -0.459 17742 687 1 1 . 1 1 126 126 TRP HA H 456 4.929 4.929 4.745 0.184 17742 688 1 1 . 1 1 126 126 TRP CA C 456 55.029 55.029 54.040 0.989 17742 689 1 1 . 1 1 126 126 TRP CB C 456 29.383 29.383 29.384 -0.001 17742 690 1 1 . 1 1 126 126 TRP H H 456 7.906 7.906 8.095 -0.189 17742 691 1 1 . 1 1 127 127 PRO HA H 457 4.429 4.429 4.509 -0.080 17742 692 1 1 . 1 1 127 127 PRO C C 457 175.951 175.951 176.495 -0.544 17742 693 1 1 . 1 1 127 127 PRO CA C 457 63.558 63.558 62.719 0.839 17742 694 1 1 . 1 1 127 127 PRO CB C 457 31.932 31.932 30.248 1.683 17742 695 1 2 . 1 1 5 5 ARG N N 335 123.607 123.607 119.023 4.584 17742 696 1 2 . 1 1 5 5 ARG HA H 335 4.382 4.382 4.507 -0.125 17742 697 1 2 . 1 1 5 5 ARG CA C 335 56.926 56.926 56.102 0.824 17742 698 1 2 . 1 1 5 5 ARG H H 335 9.161 9.161 7.875 1.286 17742 699 1 2 . 1 1 6 6 LEU N N 336 122.412 122.412 119.517 2.895 17742 700 1 2 . 1 1 6 6 LEU CB C 336 42.172 42.172 41.802 0.370 17742 701 1 2 . 1 1 6 6 LEU H H 336 8.775 8.775 7.411 1.364 17742 702 1 2 . 1 1 7 7 LEU HA H 337 3.669 3.669 4.336 -0.667 17742 703 1 2 . 1 1 7 7 LEU CA C 337 59.053 59.053 58.501 0.552 17742 704 1 2 . 1 1 7 7 LEU CB C 337 40.447 40.447 41.744 -1.297 17742 705 1 2 . 1 1 8 8 TRP N N 338 114.197 114.197 115.576 -1.379 17742 706 1 2 . 1 1 8 8 TRP HA H 338 3.747 3.747 4.584 -0.837 17742 707 1 2 . 1 1 8 8 TRP CA C 338 60.071 60.071 58.816 1.255 17742 708 1 2 . 1 1 8 8 TRP CB C 338 28.481 28.481 28.530 -0.049 17742 709 1 2 . 1 1 8 8 TRP H H 338 7.595 7.595 7.504 0.091 17742 710 1 2 . 1 1 9 9 ASP HA H 339 3.648 3.648 4.678 -1.030 17742 711 1 2 . 1 1 9 9 ASP C C 339 177.491 177.491 177.778 -0.287 17742 712 1 2 . 1 1 9 9 ASP CA C 339 56.197 56.197 57.408 -1.212 17742 713 1 2 . 1 1 9 9 ASP CB C 339 41.702 41.702 41.078 0.624 17742 714 1 2 . 1 1 10 10 TYR N N 340 120.786 120.786 121.686 -0.900 17742 715 1 2 . 1 1 10 10 TYR HA H 340 3.851 3.851 4.034 -0.183 17742 716 1 2 . 1 1 10 10 TYR C C 340 177.016 177.016 177.832 -0.816 17742 717 1 2 . 1 1 10 10 TYR CA C 340 61.921 61.921 61.532 0.389 17742 718 1 2 . 1 1 10 10 TYR CB C 340 39.202 39.202 38.519 0.683 17742 719 1 2 . 1 1 10 10 TYR H H 340 7.929 7.929 7.805 0.124 17742 720 1 2 . 1 1 11 11 VAL N N 341 114.828 114.828 119.208 -4.380 17742 721 1 2 . 1 1 11 11 VAL HA H 341 2.982 2.982 3.571 -0.589 17742 722 1 2 . 1 1 11 11 VAL C C 341 176.795 176.795 176.979 -0.184 17742 723 1 2 . 1 1 11 11 VAL CA C 341 66.855 66.855 65.573 1.282 17742 724 1 2 . 1 1 11 11 VAL CB C 341 31.152 31.152 31.806 -0.654 17742 725 1 2 . 1 1 11 11 VAL H H 341 8.291 8.291 8.351 -0.060 17742 726 1 2 . 1 1 12 12 TYR N N 342 119.177 119.177 119.478 -0.301 17742 727 1 2 . 1 1 12 12 TYR HA H 342 3.617 3.617 3.847 -0.230 17742 728 1 2 . 1 1 12 12 TYR C C 342 178.765 178.765 176.933 1.832 17742 729 1 2 . 1 1 12 12 TYR CA C 342 62.960 62.960 60.995 1.965 17742 730 1 2 . 1 1 12 12 TYR CB C 342 38.232 38.232 38.235 -0.003 17742 731 1 2 . 1 1 12 12 TYR H H 342 7.712 7.712 7.653 0.059 17742 732 1 2 . 1 1 13 13 GLN N N 343 118.873 118.873 118.115 0.758 17742 733 1 2 . 1 1 13 13 GLN HA H 343 3.833 3.833 3.933 -0.100 17742 734 1 2 . 1 1 13 13 GLN C C 343 179.917 179.917 178.695 1.222 17742 735 1 2 . 1 1 13 13 GLN CA C 343 58.821 58.821 58.350 0.471 17742 736 1 2 . 1 1 13 13 GLN CB C 343 27.649 27.649 28.573 -0.924 17742 737 1 2 . 1 1 13 13 GLN H H 343 8.076 8.076 7.833 0.243 17742 738 1 2 . 1 1 14 14 LEU N N 344 121.381 121.381 119.936 1.445 17742 739 1 2 . 1 1 14 14 LEU HA H 344 3.611 3.611 3.708 -0.097 17742 740 1 2 . 1 1 14 14 LEU C C 344 179.861 179.861 179.221 0.640 17742 741 1 2 . 1 1 14 14 LEU CA C 344 58.121 58.121 57.008 1.113 17742 742 1 2 . 1 1 14 14 LEU CB C 344 41.382 41.382 41.474 -0.092 17742 743 1 2 . 1 1 14 14 LEU H H 344 7.772 7.772 7.428 0.344 17742 744 1 2 . 1 1 15 15 LEU N N 345 116.801 116.801 116.243 0.558 17742 745 1 2 . 1 1 15 15 LEU HA H 345 3.513 3.513 3.999 -0.486 17742 746 1 2 . 1 1 15 15 LEU C C 345 178.221 178.221 177.657 0.564 17742 747 1 2 . 1 1 15 15 LEU CA C 345 56.568 56.568 56.601 -0.033 17742 748 1 2 . 1 1 15 15 LEU CB C 345 41.431 41.431 41.242 0.189 17742 749 1 2 . 1 1 15 15 LEU H H 345 7.546 7.546 7.385 0.161 17742 750 1 2 . 1 1 16 16 SER N N 346 112.511 112.511 111.719 0.792 17742 751 1 2 . 1 1 16 16 SER HA H 346 4.542 4.542 4.539 0.003 17742 752 1 2 . 1 1 16 16 SER C C 346 172.510 172.510 173.931 -1.421 17742 753 1 2 . 1 1 16 16 SER CA C 346 58.891 58.891 58.206 0.684 17742 754 1 2 . 1 1 16 16 SER CB C 346 63.993 63.993 63.782 0.211 17742 755 1 2 . 1 1 16 16 SER H H 346 7.277 7.277 7.359 -0.082 17742 756 1 2 . 1 1 17 17 ASP N N 347 122.234 122.234 121.114 1.120 17742 757 1 2 . 1 1 17 17 ASP HA H 347 4.969 4.969 4.905 0.064 17742 758 1 2 . 1 1 17 17 ASP C C 347 175.703 175.703 176.135 -0.432 17742 759 1 2 . 1 1 17 17 ASP CA C 347 52.761 52.761 53.466 -0.705 17742 760 1 2 . 1 1 17 17 ASP CB C 347 43.427 43.427 43.941 -0.514 17742 761 1 2 . 1 1 17 17 ASP H H 347 7.353 7.353 7.472 -0.119 17742 762 1 2 . 1 1 18 18 SER N N 348 120.139 120.139 120.475 -0.336 17742 763 1 2 . 1 1 18 18 SER HA H 348 4.371 4.371 4.345 0.026 17742 764 1 2 . 1 1 18 18 SER C C 348 176.259 176.259 176.067 0.192 17742 765 1 2 . 1 1 18 18 SER CA C 348 61.131 61.131 60.097 1.034 17742 766 1 2 . 1 1 18 18 SER CB C 348 63.177 63.177 63.050 0.127 17742 767 1 2 . 1 1 18 18 SER H H 348 8.691 8.691 8.859 -0.168 17742 768 1 2 . 1 1 19 19 ARG N N 349 122.716 122.716 122.931 -0.215 17742 769 1 2 . 1 1 19 19 ARG HA H 349 4.114 4.114 3.880 0.234 17742 770 1 2 . 1 1 19 19 ARG C C 349 178.154 178.154 177.594 0.560 17742 771 1 2 . 1 1 19 19 ARG CA C 349 58.531 58.531 58.648 -0.117 17742 772 1 2 . 1 1 19 19 ARG CB C 349 29.794 29.794 29.629 0.165 17742 773 1 2 . 1 1 19 19 ARG H H 349 8.586 8.586 7.418 1.168 17742 774 1 2 . 1 1 20 20 TYR N N 350 116.201 116.201 116.021 0.180 17742 775 1 2 . 1 1 20 20 TYR HA H 350 4.883 4.883 4.813 0.070 17742 776 1 2 . 1 1 20 20 TYR C C 350 177.029 177.029 175.873 1.156 17742 777 1 2 . 1 1 20 20 TYR CA C 350 58.741 58.741 55.941 2.800 17742 778 1 2 . 1 1 20 20 TYR CB C 350 37.642 37.642 36.505 1.137 17742 779 1 2 . 1 1 20 20 TYR H H 350 8.291 8.291 7.322 0.969 17742 780 1 2 . 1 1 21 21 GLU N N 351 120.803 120.803 121.878 -1.075 17742 781 1 2 . 1 1 21 21 GLU HA H 351 4.466 4.466 4.256 0.210 17742 782 1 2 . 1 1 21 21 GLU C C 351 176.324 176.324 177.956 -1.632 17742 783 1 2 . 1 1 21 21 GLU CA C 351 59.132 59.132 59.240 -0.108 17742 784 1 2 . 1 1 21 21 GLU CB C 351 29.864 29.864 29.054 0.810 17742 785 1 2 . 1 1 21 21 GLU H H 351 7.513 7.513 7.874 -0.361 17742 786 1 2 . 1 1 22 22 ASN N N 352 114.531 114.531 116.037 -1.506 17742 787 1 2 . 1 1 22 22 ASN HA H 352 4.492 4.492 4.578 -0.086 17742 788 1 2 . 1 1 22 22 ASN C C 352 174.497 174.497 175.602 -1.105 17742 789 1 2 . 1 1 22 22 ASN CA C 352 54.122 54.122 53.664 0.458 17742 790 1 2 . 1 1 22 22 ASN CB C 352 36.935 36.935 38.715 -1.780 17742 791 1 2 . 1 1 22 22 ASN H H 352 8.649 8.649 8.472 0.177 17742 792 1 2 . 1 1 23 23 PHE N N 353 115.501 115.501 116.261 -0.760 17742 793 1 2 . 1 1 23 23 PHE HA H 353 4.751 4.751 4.657 0.094 17742 794 1 2 . 1 1 23 23 PHE C C 353 176.442 176.442 175.224 1.218 17742 795 1 2 . 1 1 23 23 PHE CB C 353 41.502 41.502 41.692 -0.190 17742 796 1 2 . 1 1 23 23 PHE H H 353 8.555 8.555 7.944 0.611 17742 797 1 2 . 1 1 24 24 ILE N N 354 120.734 120.734 118.008 2.726 17742 798 1 2 . 1 1 24 24 ILE HA H 354 5.059 5.059 5.029 0.030 17742 799 1 2 . 1 1 24 24 ILE C C 354 179.332 179.332 173.128 6.204 17742 800 1 2 . 1 1 24 24 ILE CA C 354 59.831 59.831 60.334 -0.502 17742 801 1 2 . 1 1 24 24 ILE CB C 354 40.623 40.623 42.087 -1.464 17742 802 1 2 . 1 1 24 24 ILE H H 354 8.428 8.428 8.856 -0.428 17742 803 1 2 . 1 1 25 25 ARG N N 355 121.187 121.187 122.559 -1.372 17742 804 1 2 . 1 1 25 25 ARG HA H 355 4.904 4.904 4.881 0.023 17742 805 1 2 . 1 1 25 25 ARG C C 355 175.152 175.152 174.082 1.070 17742 806 1 2 . 1 1 25 25 ARG CA C 355 54.529 54.529 54.484 0.045 17742 807 1 2 . 1 1 25 25 ARG CB C 355 33.599 33.599 33.624 -0.026 17742 808 1 2 . 1 1 25 25 ARG H H 355 8.671 8.671 8.940 -0.269 17742 809 1 2 . 1 1 26 26 TRP N N 356 122.024 122.024 122.998 -0.974 17742 810 1 2 . 1 1 26 26 TRP HA H 356 4.884 4.884 4.775 0.109 17742 811 1 2 . 1 1 26 26 TRP C C 356 176.642 176.642 177.166 -0.524 17742 812 1 2 . 1 1 26 26 TRP CA C 356 57.960 57.960 57.793 0.167 17742 813 1 2 . 1 1 26 26 TRP CB C 356 30.634 30.634 29.345 1.289 17742 814 1 2 . 1 1 26 26 TRP H H 356 9.159 9.159 8.932 0.227 17742 815 1 2 . 1 1 27 27 GLU N N 357 125.331 125.331 125.177 0.154 17742 816 1 2 . 1 1 27 27 GLU HA H 357 4.681 4.681 4.391 0.290 17742 817 1 2 . 1 1 27 27 GLU C C 357 176.775 176.775 176.931 -0.156 17742 818 1 2 . 1 1 27 27 GLU CA C 357 56.990 56.990 57.907 -0.917 17742 819 1 2 . 1 1 27 27 GLU CB C 357 31.579 31.579 30.689 0.890 17742 820 1 2 . 1 1 27 27 GLU H H 357 9.504 9.504 8.548 0.956 17742 821 1 2 . 1 1 28 28 ASP N N 358 116.213 116.213 120.382 -4.169 17742 822 1 2 . 1 1 28 28 ASP HA H 358 4.771 4.771 4.958 -0.187 17742 823 1 2 . 1 1 28 28 ASP C C 358 176.167 176.167 175.506 0.661 17742 824 1 2 . 1 1 28 28 ASP CA C 358 53.541 53.541 53.603 -0.062 17742 825 1 2 . 1 1 28 28 ASP CB C 358 41.932 41.932 41.665 0.267 17742 826 1 2 . 1 1 28 28 ASP H H 358 7.846 7.846 8.560 -0.714 17742 827 1 2 . 1 1 29 29 LYS N N 359 127.762 127.762 125.507 2.255 17742 828 1 2 . 1 1 29 29 LYS HA H 359 3.157 3.157 3.515 -0.358 17742 829 1 2 . 1 1 29 29 LYS C C 359 178.776 178.776 177.537 1.239 17742 830 1 2 . 1 1 29 29 LYS CA C 359 60.229 60.229 58.774 1.455 17742 831 1 2 . 1 1 29 29 LYS CB C 359 32.734 32.734 32.124 0.610 17742 832 1 2 . 1 1 29 29 LYS H H 359 9.216 9.216 8.642 0.574 17742 833 1 2 . 1 1 30 30 GLU N N 360 119.601 119.601 117.718 1.883 17742 834 1 2 . 1 1 30 30 GLU HA H 360 3.925 3.925 4.070 -0.145 17742 835 1 2 . 1 1 30 30 GLU C C 360 178.684 178.684 177.322 1.362 17742 836 1 2 . 1 1 30 30 GLU CA C 360 59.570 59.570 58.485 1.085 17742 837 1 2 . 1 1 30 30 GLU CB C 360 29.177 29.177 29.695 -0.517 17742 838 1 2 . 1 1 30 30 GLU H H 360 8.340 8.340 8.111 0.229 17742 839 1 2 . 1 1 31 31 SER N N 361 113.301 113.301 113.177 0.124 17742 840 1 2 . 1 1 31 31 SER HA H 361 4.494 4.494 4.530 -0.036 17742 841 1 2 . 1 1 31 31 SER C C 361 172.357 172.357 175.128 -2.771 17742 842 1 2 . 1 1 31 31 SER CA C 361 58.807 58.807 58.778 0.029 17742 843 1 2 . 1 1 31 31 SER CB C 361 63.768 63.768 64.419 -0.651 17742 844 1 2 . 1 1 31 31 SER H H 361 7.463 7.463 7.735 -0.272 17742 845 1 2 . 1 1 32 32 LYS N N 362 115.170 115.170 115.595 -0.425 17742 846 1 2 . 1 1 32 32 LYS HA H 362 3.910 3.910 4.205 -0.295 17742 847 1 2 . 1 1 32 32 LYS C C 362 175.500 175.500 175.050 0.450 17742 848 1 2 . 1 1 32 32 LYS CA C 362 57.630 57.630 57.289 0.341 17742 849 1 2 . 1 1 32 32 LYS CB C 362 29.801 29.801 30.316 -0.515 17742 850 1 2 . 1 1 32 32 LYS H H 362 7.752 7.752 7.748 0.004 17742 851 1 2 . 1 1 33 33 ILE N N 363 118.274 118.274 120.870 -2.596 17742 852 1 2 . 1 1 33 33 ILE HA H 363 5.375 5.375 4.957 0.418 17742 853 1 2 . 1 1 33 33 ILE C C 363 177.068 177.068 175.850 1.218 17742 854 1 2 . 1 1 33 33 ILE CA C 363 60.428 60.428 59.983 0.445 17742 855 1 2 . 1 1 33 33 ILE CB C 363 40.206 40.206 37.374 2.832 17742 856 1 2 . 1 1 33 33 ILE H H 363 8.262 8.262 8.240 0.022 17742 857 1 2 . 1 1 34 34 PHE N N 364 128.285 128.285 126.553 1.732 17742 858 1 2 . 1 1 34 34 PHE HA H 364 5.566 5.566 5.445 0.121 17742 859 1 2 . 1 1 34 34 PHE C C 364 179.560 179.560 172.979 6.581 17742 860 1 2 . 1 1 34 34 PHE CA C 364 55.080 55.080 55.229 -0.149 17742 861 1 2 . 1 1 34 34 PHE CB C 364 44.097 44.097 42.847 1.250 17742 862 1 2 . 1 1 34 34 PHE H H 364 9.936 9.936 9.357 0.579 17742 863 1 2 . 1 1 35 35 ARG N N 365 120.953 120.953 123.447 -2.494 17742 864 1 2 . 1 1 35 35 ARG HA H 365 5.484 5.484 4.572 0.912 17742 865 1 2 . 1 1 35 35 ARG C C 365 176.522 176.522 174.477 2.045 17742 866 1 2 . 1 1 35 35 ARG CA C 365 53.584 53.584 53.467 0.117 17742 867 1 2 . 1 1 35 35 ARG CB C 365 36.439 36.439 33.974 2.465 17742 868 1 2 . 1 1 35 35 ARG H H 365 9.430 9.430 9.176 0.254 17742 869 1 2 . 1 1 36 36 ILE N N 366 125.455 125.455 128.130 -2.675 17742 870 1 2 . 1 1 36 36 ILE HA H 366 4.201 4.201 4.025 0.176 17742 871 1 2 . 1 1 36 36 ILE C C 366 173.923 173.923 175.305 -1.382 17742 872 1 2 . 1 1 36 36 ILE CA C 366 63.110 63.110 62.127 0.983 17742 873 1 2 . 1 1 36 36 ILE CB C 366 37.964 37.964 37.400 0.564 17742 874 1 2 . 1 1 36 36 ILE H H 366 8.639 8.639 8.135 0.504 17742 875 1 2 . 1 1 37 37 VAL N N 367 129.251 129.251 128.515 0.736 17742 876 1 2 . 1 1 37 37 VAL HA H 367 3.674 3.674 3.854 -0.180 17742 877 1 2 . 1 1 37 37 VAL C C 367 175.948 175.948 176.072 -0.124 17742 878 1 2 . 1 1 37 37 VAL CA C 367 64.171 64.171 64.464 -0.293 17742 879 1 2 . 1 1 37 37 VAL CB C 367 32.870 32.870 32.149 0.721 17742 880 1 2 . 1 1 37 37 VAL H H 367 7.839 7.839 8.536 -0.697 17742 881 1 2 . 1 1 38 38 ASP N N 368 114.991 114.991 119.145 -4.154 17742 882 1 2 . 1 1 38 38 ASP HA H 368 5.213 5.213 5.003 0.210 17742 883 1 2 . 1 1 38 38 ASP CA C 368 50.242 50.242 50.830 -0.588 17742 884 1 2 . 1 1 38 38 ASP CB C 368 42.169 42.169 42.099 0.070 17742 885 1 2 . 1 1 38 38 ASP H H 368 7.279 7.279 7.981 -0.702 17742 886 1 2 . 1 1 39 39 PRO HA H 369 3.794 3.794 4.350 -0.556 17742 887 1 2 . 1 1 39 39 PRO C C 369 178.037 178.037 178.170 -0.133 17742 888 1 2 . 1 1 39 39 PRO CA C 369 65.619 65.619 65.774 -0.155 17742 889 1 2 . 1 1 39 39 PRO CB C 369 31.057 31.057 31.794 -0.737 17742 890 1 2 . 1 1 40 40 ASN N N 370 115.439 115.439 116.917 -1.478 17742 891 1 2 . 1 1 40 40 ASN HA H 370 4.596 4.596 4.572 0.024 17742 892 1 2 . 1 1 40 40 ASN C C 370 178.570 178.570 177.764 0.806 17742 893 1 2 . 1 1 40 40 ASN CA C 370 56.501 56.501 55.916 0.585 17742 894 1 2 . 1 1 40 40 ASN CB C 370 38.012 38.012 37.902 0.110 17742 895 1 2 . 1 1 40 40 ASN H H 370 8.121 8.121 8.382 -0.261 17742 896 1 2 . 1 1 41 41 GLY N N 371 111.317 111.317 108.467 2.850 17742 897 1 2 . 1 1 41 41 GLY C C 371 176.090 176.090 176.739 -0.649 17742 898 1 2 . 1 1 41 41 GLY CA C 371 47.932 47.932 47.011 0.921 17742 899 1 2 . 1 1 41 41 GLY H H 371 8.622 8.622 8.891 -0.269 17742 900 1 2 . 1 1 42 42 LEU N N 372 122.892 122.892 123.798 -0.906 17742 901 1 2 . 1 1 42 42 LEU HA H 372 4.031 4.031 4.306 -0.275 17742 902 1 2 . 1 1 42 42 LEU C C 372 177.766 177.766 178.860 -1.094 17742 903 1 2 . 1 1 42 42 LEU CA C 372 57.830 57.830 57.807 0.023 17742 904 1 2 . 1 1 42 42 LEU CB C 372 42.132 42.132 41.301 0.831 17742 905 1 2 . 1 1 42 42 LEU H H 372 8.881 8.881 8.639 0.242 17742 906 1 2 . 1 1 43 43 ALA N N 373 120.112 120.112 121.749 -1.637 17742 907 1 2 . 1 1 43 43 ALA HA H 373 4.458 4.458 4.144 0.314 17742 908 1 2 . 1 1 43 43 ALA C C 373 179.093 179.093 180.052 -0.959 17742 909 1 2 . 1 1 43 43 ALA CA C 373 55.451 55.451 55.141 0.310 17742 910 1 2 . 1 1 43 43 ALA CB C 373 18.324 18.324 18.452 -0.128 17742 911 1 2 . 1 1 43 43 ALA H H 373 8.072 8.072 8.704 -0.633 17742 912 1 2 . 1 1 44 44 ARG N N 374 117.916 117.916 119.326 -1.410 17742 913 1 2 . 1 1 44 44 ARG HA H 374 4.093 4.093 4.093 0.000 17742 914 1 2 . 1 1 44 44 ARG C C 374 179.473 179.473 179.182 0.291 17742 915 1 2 . 1 1 44 44 ARG CA C 374 59.372 59.372 59.816 -0.444 17742 916 1 2 . 1 1 44 44 ARG CB C 374 30.114 30.114 30.215 -0.101 17742 917 1 2 . 1 1 44 44 ARG H H 374 7.769 7.769 8.190 -0.421 17742 918 1 2 . 1 1 45 45 LEU N N 375 121.489 121.489 120.628 0.861 17742 919 1 2 . 1 1 45 45 LEU HA H 375 4.007 4.007 4.063 -0.056 17742 920 1 2 . 1 1 45 45 LEU C C 375 180.049 180.049 179.097 0.952 17742 921 1 2 . 1 1 45 45 LEU CA C 375 58.390 58.390 58.063 0.327 17742 922 1 2 . 1 1 45 45 LEU CB C 375 41.552 41.552 41.822 -0.270 17742 923 1 2 . 1 1 45 45 LEU H H 375 7.903 7.903 8.439 -0.536 17742 924 1 2 . 1 1 46 46 TRP N N 376 121.466 121.466 121.407 0.059 17742 925 1 2 . 1 1 46 46 TRP HA H 376 4.089 4.089 3.827 0.262 17742 926 1 2 . 1 1 46 46 TRP C C 376 177.939 177.939 178.409 -0.470 17742 927 1 2 . 1 1 46 46 TRP CA C 376 60.022 60.022 61.021 -0.999 17742 928 1 2 . 1 1 46 46 TRP CB C 376 28.817 28.817 29.033 -0.216 17742 929 1 2 . 1 1 46 46 TRP H H 376 8.633 8.633 8.942 -0.309 17742 930 1 2 . 1 1 47 47 GLY N N 377 105.142 105.142 106.061 -0.919 17742 931 1 2 . 1 1 47 47 GLY C C 377 176.128 176.128 175.505 0.623 17742 932 1 2 . 1 1 47 47 GLY CA C 377 48.035 48.035 47.007 1.028 17742 933 1 2 . 1 1 47 47 GLY H H 377 8.828 8.828 8.839 -0.011 17742 934 1 2 . 1 1 48 48 ASN N N 378 120.327 120.327 120.967 -0.640 17742 935 1 2 . 1 1 48 48 ASN HA H 378 4.402 4.402 4.305 0.097 17742 936 1 2 . 1 1 48 48 ASN C C 378 178.625 178.625 177.732 0.893 17742 937 1 2 . 1 1 48 48 ASN CA C 378 56.231 56.231 55.887 0.344 17742 938 1 2 . 1 1 48 48 ASN CB C 378 38.132 38.132 38.607 -0.475 17742 939 1 2 . 1 1 48 48 ASN H H 378 8.212 8.212 8.339 -0.127 17742 940 1 2 . 1 1 49 49 HIS N N 379 121.871 121.871 119.065 2.806 17742 941 1 2 . 1 1 49 49 HIS HA H 379 4.205 4.205 4.279 -0.074 17742 942 1 2 . 1 1 49 49 HIS C C 379 176.086 176.086 176.346 -0.260 17742 943 1 2 . 1 1 49 49 HIS CA C 379 59.390 59.390 58.307 1.083 17742 944 1 2 . 1 1 49 49 HIS CB C 379 29.564 29.564 29.558 0.006 17742 945 1 2 . 1 1 49 49 HIS H H 379 8.094 8.094 7.731 0.363 17742 946 1 2 . 1 1 50 50 LYS N N 380 115.181 115.181 117.598 -2.417 17742 947 1 2 . 1 1 50 50 LYS HA H 380 3.911 3.911 4.106 -0.195 17742 948 1 2 . 1 1 50 50 LYS C C 380 175.348 175.348 175.440 -0.092 17742 949 1 2 . 1 1 50 50 LYS CA C 380 53.632 53.632 54.154 -0.522 17742 950 1 2 . 1 1 50 50 LYS CB C 380 30.742 30.742 31.134 -0.392 17742 951 1 2 . 1 1 50 50 LYS H H 380 7.482 7.482 7.447 0.035 17742 952 1 2 . 1 1 51 51 ASN N N 381 116.362 116.362 113.788 2.574 17742 953 1 2 . 1 1 51 51 ASN HA H 381 4.259 4.259 4.186 0.073 17742 954 1 2 . 1 1 51 51 ASN C C 381 174.400 174.400 174.305 0.095 17742 955 1 2 . 1 1 51 51 ASN CA C 381 54.312 54.312 54.408 -0.096 17742 956 1 2 . 1 1 51 51 ASN CB C 381 37.272 37.272 37.030 0.242 17742 957 1 2 . 1 1 51 51 ASN H H 381 7.753 7.753 7.642 0.111 17742 958 1 2 . 1 1 52 52 ARG N N 382 117.723 117.723 118.825 -1.102 17742 959 1 2 . 1 1 52 52 ARG HA H 382 4.658 4.658 4.642 0.016 17742 960 1 2 . 1 1 52 52 ARG C C 382 176.209 176.209 175.952 0.257 17742 961 1 2 . 1 1 52 52 ARG CA C 382 53.668 53.668 53.719 -0.051 17742 962 1 2 . 1 1 52 52 ARG CB C 382 32.212 32.212 32.208 0.004 17742 963 1 2 . 1 1 52 52 ARG H H 382 8.476 8.476 8.185 0.291 17742 964 1 2 . 1 1 53 53 THR N N 383 114.109 114.109 114.728 -0.619 17742 965 1 2 . 1 1 53 53 THR HA H 383 4.221 4.221 4.256 -0.035 17742 966 1 2 . 1 1 53 53 THR C C 383 174.644 174.644 174.945 -0.301 17742 967 1 2 . 1 1 53 53 THR CA C 383 62.187 62.187 62.994 -0.807 17742 968 1 2 . 1 1 53 53 THR CB C 383 69.710 69.710 69.334 0.376 17742 969 1 2 . 1 1 53 53 THR H H 383 8.333 8.333 8.422 -0.089 17742 970 1 2 . 1 1 54 54 ASN N N 384 118.768 118.768 122.998 -4.230 17742 971 1 2 . 1 1 54 54 ASN HA H 384 4.609 4.609 4.734 -0.125 17742 972 1 2 . 1 1 54 54 ASN C C 384 174.975 174.975 173.767 1.208 17742 973 1 2 . 1 1 54 54 ASN CA C 384 53.193 53.193 53.456 -0.263 17742 974 1 2 . 1 1 54 54 ASN CB C 384 37.632 37.632 37.353 0.279 17742 975 1 2 . 1 1 54 54 ASN H H 384 8.521 8.521 8.315 0.206 17742 976 1 2 . 1 1 55 55 MET N N 385 119.621 119.621 123.984 -4.363 17742 977 1 2 . 1 1 55 55 MET HA H 385 4.566 4.566 4.701 -0.135 17742 978 1 2 . 1 1 55 55 MET C C 385 175.078 175.078 174.758 0.320 17742 979 1 2 . 1 1 55 55 MET CA C 385 55.298 55.298 54.362 0.936 17742 980 1 2 . 1 1 55 55 MET CB C 385 31.244 31.244 33.503 -2.259 17742 981 1 2 . 1 1 55 55 MET H H 385 8.162 8.162 7.998 0.164 17742 982 1 2 . 1 1 56 56 THR N N 386 113.114 113.114 121.535 -8.421 17742 983 1 2 . 1 1 56 56 THR HA H 386 4.824 4.824 4.620 0.204 17742 984 1 2 . 1 1 56 56 THR C C 386 175.549 175.549 175.194 0.355 17742 985 1 2 . 1 1 56 56 THR CA C 386 59.060 59.060 60.945 -1.885 17742 986 1 2 . 1 1 56 56 THR CB C 386 72.290 72.290 70.710 1.580 17742 987 1 2 . 1 1 56 56 THR H H 386 7.031 7.031 8.076 -1.045 17742 988 1 2 . 1 1 57 57 TYR N N 387 123.401 123.401 125.661 -2.260 17742 989 1 2 . 1 1 57 57 TYR HA H 387 4.134 4.134 4.125 0.009 17742 990 1 2 . 1 1 57 57 TYR C C 387 177.304 177.304 177.502 -0.198 17742 991 1 2 . 1 1 57 57 TYR CA C 387 62.300 62.300 63.085 -0.785 17742 992 1 2 . 1 1 57 57 TYR CB C 387 37.359 37.359 38.587 -1.228 17742 993 1 2 . 1 1 57 57 TYR H H 387 9.691 9.691 9.207 0.484 17742 994 1 2 . 1 1 58 58 GLU N N 388 120.999 120.999 116.997 4.002 17742 995 1 2 . 1 1 58 58 GLU HA H 388 3.823 3.823 4.163 -0.340 17742 996 1 2 . 1 1 58 58 GLU C C 388 179.213 179.213 178.815 0.398 17742 997 1 2 . 1 1 58 58 GLU CA C 388 60.477 60.477 59.640 0.837 17742 998 1 2 . 1 1 58 58 GLU CB C 388 28.895 28.895 28.494 0.401 17742 999 1 2 . 1 1 58 58 GLU H H 388 8.838 8.838 9.112 -0.274 17742 1000 1 2 . 1 1 59 59 LYS N N 389 118.962 118.962 117.461 1.501 17742 1001 1 2 . 1 1 59 59 LYS HA H 389 3.939 3.939 4.187 -0.248 17742 1002 1 2 . 1 1 59 59 LYS C C 389 178.797 178.797 178.492 0.305 17742 1003 1 2 . 1 1 59 59 LYS CA C 389 60.065 60.065 58.613 1.452 17742 1004 1 2 . 1 1 59 59 LYS CB C 389 33.378 33.378 32.550 0.827 17742 1005 1 2 . 1 1 59 59 LYS H H 389 7.506 7.506 7.700 -0.194 17742 1006 1 2 . 1 1 60 60 MET N N 390 120.087 120.087 119.139 0.948 17742 1007 1 2 . 1 1 60 60 MET HA H 390 3.869 3.869 4.421 -0.552 17742 1008 1 2 . 1 1 60 60 MET C C 390 178.146 178.146 177.344 0.802 17742 1009 1 2 . 1 1 60 60 MET CA C 390 59.776 59.776 58.010 1.766 17742 1010 1 2 . 1 1 60 60 MET CB C 390 33.462 33.462 33.533 -0.071 17742 1011 1 2 . 1 1 60 60 MET H H 390 8.051 8.051 7.837 0.214 17742 1012 1 2 . 1 1 61 61 SER N N 391 114.537 114.537 115.530 -0.993 17742 1013 1 2 . 1 1 61 61 SER HA H 391 3.786 3.786 3.799 -0.013 17742 1014 1 2 . 1 1 61 61 SER C C 391 176.380 176.380 176.187 0.193 17742 1015 1 2 . 1 1 61 61 SER CA C 391 61.600 61.600 60.824 0.776 17742 1016 1 2 . 1 1 61 61 SER CB C 391 62.251 62.251 62.831 -0.580 17742 1017 1 2 . 1 1 61 61 SER H H 391 8.853 8.853 8.664 0.189 17742 1018 1 2 . 1 1 62 62 ARG N N 392 122.214 122.214 121.459 0.755 17742 1019 1 2 . 1 1 62 62 ARG HA H 392 3.928 3.928 4.057 -0.129 17742 1020 1 2 . 1 1 62 62 ARG C C 392 178.732 178.732 178.203 0.529 17742 1021 1 2 . 1 1 62 62 ARG CA C 392 59.490 59.490 58.538 0.952 17742 1022 1 2 . 1 1 62 62 ARG CB C 392 30.207 30.207 29.373 0.834 17742 1023 1 2 . 1 1 62 62 ARG H H 392 7.471 7.471 8.107 -0.636 17742 1024 1 2 . 1 1 63 63 ALA N N 393 121.091 121.091 120.811 0.280 17742 1025 1 2 . 1 1 63 63 ALA HA H 393 4.162 4.162 4.112 0.050 17742 1026 1 2 . 1 1 63 63 ALA C C 393 179.699 179.699 178.744 0.955 17742 1027 1 2 . 1 1 63 63 ALA CA C 393 54.722 54.722 53.810 0.912 17742 1028 1 2 . 1 1 63 63 ALA CB C 393 18.154 18.154 18.256 -0.102 17742 1029 1 2 . 1 1 63 63 ALA H H 393 7.376 7.376 7.469 -0.093 17742 1030 1 2 . 1 1 64 64 LEU N N 394 117.568 117.568 118.257 -0.689 17742 1031 1 2 . 1 1 64 64 LEU HA H 394 3.777 3.777 2.918 0.859 17742 1032 1 2 . 1 1 64 64 LEU C C 394 178.085 178.085 178.224 -0.139 17742 1033 1 2 . 1 1 64 64 LEU CA C 394 58.075 58.075 56.397 1.678 17742 1034 1 2 . 1 1 64 64 LEU CB C 394 41.052 41.052 41.002 0.050 17742 1035 1 2 . 1 1 64 64 LEU H H 394 7.853 7.853 6.828 1.025 17742 1036 1 2 . 1 1 65 65 ARG N N 395 116.111 116.111 118.872 -2.761 17742 1037 1 2 . 1 1 65 65 ARG HA H 395 3.529 3.529 4.125 -0.596 17742 1038 1 2 . 1 1 65 65 ARG C C 395 179.519 179.519 178.426 1.093 17742 1039 1 2 . 1 1 65 65 ARG CA C 395 59.133 59.133 58.991 0.142 17742 1040 1 2 . 1 1 65 65 ARG CB C 395 30.004 30.004 29.806 0.198 17742 1041 1 2 . 1 1 65 65 ARG H H 395 7.521 7.521 8.116 -0.595 17742 1042 1 2 . 1 1 66 66 HIS N N 396 118.081 118.081 116.288 1.793 17742 1043 1 2 . 1 1 66 66 HIS HA H 396 4.436 4.436 4.523 -0.087 17742 1044 1 2 . 1 1 66 66 HIS C C 396 177.826 177.826 177.785 0.041 17742 1045 1 2 . 1 1 66 66 HIS CA C 396 59.063 59.063 58.509 0.554 17742 1046 1 2 . 1 1 66 66 HIS CB C 396 30.154 30.154 29.448 0.706 17742 1047 1 2 . 1 1 66 66 HIS H H 396 7.241 7.241 7.456 -0.215 17742 1048 1 2 . 1 1 67 67 TYR N N 397 116.301 116.301 119.624 -3.323 17742 1049 1 2 . 1 1 67 67 TYR HA H 397 4.128 4.128 4.187 -0.059 17742 1050 1 2 . 1 1 67 67 TYR C C 397 179.075 179.075 177.801 1.274 17742 1051 1 2 . 1 1 67 67 TYR CA C 397 61.525 61.525 58.855 2.670 17742 1052 1 2 . 1 1 67 67 TYR CB C 397 37.522 37.522 36.797 0.724 17742 1053 1 2 . 1 1 67 67 TYR H H 397 7.532 7.532 7.200 0.332 17742 1054 1 2 . 1 1 68 68 TYR N N 398 121.389 121.389 117.545 3.844 17742 1055 1 2 . 1 1 68 68 TYR HA H 398 5.474 5.474 4.677 0.797 17742 1056 1 2 . 1 1 68 68 TYR C C 398 172.285 172.285 178.039 -5.754 17742 1057 1 2 . 1 1 68 68 TYR CA C 398 57.651 57.651 60.005 -2.353 17742 1058 1 2 . 1 1 68 68 TYR CB C 398 37.055 37.055 37.624 -0.569 17742 1059 1 2 . 1 1 68 68 TYR H H 398 8.061 8.061 7.775 0.286 17742 1060 1 2 . 1 1 69 69 LYS N N 399 121.098 121.098 117.922 3.176 17742 1061 1 2 . 1 1 69 69 LYS HA H 399 4.125 4.125 4.258 -0.133 17742 1062 1 2 . 1 1 69 69 LYS C C 399 178.122 178.122 177.975 0.147 17742 1063 1 2 . 1 1 69 69 LYS CA C 399 58.801 58.801 57.270 1.531 17742 1064 1 2 . 1 1 69 69 LYS CB C 399 32.242 32.242 32.173 0.069 17742 1065 1 2 . 1 1 69 69 LYS H H 399 7.799 7.799 7.626 0.173 17742 1066 1 2 . 1 1 70 70 LEU N N 400 116.117 116.117 117.877 -1.760 17742 1067 1 2 . 1 1 70 70 LEU HA H 400 4.312 4.312 4.274 0.037 17742 1068 1 2 . 1 1 70 70 LEU C C 400 175.903 175.903 176.766 -0.863 17742 1069 1 2 . 1 1 70 70 LEU CA C 400 54.642 54.642 55.434 -0.792 17742 1070 1 2 . 1 1 70 70 LEU CB C 400 42.796 42.796 41.746 1.050 17742 1071 1 2 . 1 1 70 70 LEU H H 400 7.257 7.257 7.767 -0.510 17742 1072 1 2 . 1 1 71 71 ASN N N 401 115.181 115.181 115.375 -0.194 17742 1073 1 2 . 1 1 71 71 ASN HA H 401 4.368 4.368 4.396 -0.028 17742 1074 1 2 . 1 1 71 71 ASN C C 401 173.597 173.597 176.041 -2.444 17742 1075 1 2 . 1 1 71 71 ASN CA C 401 54.622 54.622 54.836 -0.213 17742 1076 1 2 . 1 1 71 71 ASN CB C 401 37.252 37.252 36.567 0.685 17742 1077 1 2 . 1 1 71 71 ASN H H 401 8.061 8.061 7.896 0.165 17742 1078 1 2 . 1 1 72 72 ILE N N 402 114.031 114.031 118.448 -4.417 17742 1079 1 2 . 1 1 72 72 ILE HA H 402 4.128 4.128 3.959 0.169 17742 1080 1 2 . 1 1 72 72 ILE C C 402 176.467 176.467 175.261 1.206 17742 1081 1 2 . 1 1 72 72 ILE CA C 402 63.720 63.720 64.332 -0.612 17742 1082 1 2 . 1 1 72 72 ILE CB C 402 40.491 40.491 39.135 1.356 17742 1083 1 2 . 1 1 72 72 ILE H H 402 8.104 8.104 8.115 -0.011 17742 1084 1 2 . 1 1 73 73 ILE N N 403 116.973 116.973 117.558 -0.585 17742 1085 1 2 . 1 1 73 73 ILE HA H 403 5.014 5.014 5.067 -0.053 17742 1086 1 2 . 1 1 73 73 ILE C C 403 174.039 174.039 174.044 -0.005 17742 1087 1 2 . 1 1 73 73 ILE CA C 403 59.357 59.357 59.533 -0.176 17742 1088 1 2 . 1 1 73 73 ILE CB C 403 43.362 43.362 40.838 2.524 17742 1089 1 2 . 1 1 73 73 ILE H H 403 7.099 7.099 7.314 -0.215 17742 1090 1 2 . 1 1 74 74 ARG N N 404 123.639 123.639 126.103 -2.464 17742 1091 1 2 . 1 1 74 74 ARG HA H 404 4.771 4.771 4.923 -0.152 17742 1092 1 2 . 1 1 74 74 ARG C C 404 174.917 174.917 174.142 0.775 17742 1093 1 2 . 1 1 74 74 ARG CA C 404 54.261 54.261 54.168 0.093 17742 1094 1 2 . 1 1 74 74 ARG CB C 404 34.689 34.689 33.581 1.108 17742 1095 1 2 . 1 1 74 74 ARG H H 404 8.983 8.983 8.414 0.569 17742 1096 1 2 . 1 1 75 75 LYS N N 405 125.665 125.665 121.960 3.705 17742 1097 1 2 . 1 1 75 75 LYS HA H 405 4.071 4.071 4.686 -0.615 17742 1098 1 2 . 1 1 75 75 LYS C C 405 176.525 176.525 176.374 0.151 17742 1099 1 2 . 1 1 75 75 LYS CA C 405 56.470 56.470 55.931 0.539 17742 1100 1 2 . 1 1 75 75 LYS CB C 405 32.649 32.649 33.351 -0.702 17742 1101 1 2 . 1 1 75 75 LYS H H 405 8.263 8.263 8.409 -0.146 17742 1102 1 2 . 1 1 76 76 GLU N N 406 128.072 128.072 123.763 4.309 17742 1103 1 2 . 1 1 76 76 GLU HA H 406 4.432 4.432 4.540 -0.108 17742 1104 1 2 . 1 1 76 76 GLU CA C 406 53.747 53.747 54.296 -0.549 17742 1105 1 2 . 1 1 76 76 GLU CB C 406 29.914 29.914 29.657 0.257 17742 1106 1 2 . 1 1 76 76 GLU H H 406 8.024 8.024 8.972 -0.948 17742 1107 1 2 . 1 1 77 77 PRO HA H 407 4.282 4.282 4.261 0.021 17742 1108 1 2 . 1 1 77 77 PRO C C 407 177.719 177.719 177.616 0.103 17742 1109 1 2 . 1 1 77 77 PRO CA C 407 63.407 63.407 64.260 -0.853 17742 1110 1 2 . 1 1 77 77 PRO CB C 407 32.184 32.184 31.278 0.906 17742 1111 1 2 . 1 1 78 78 GLY N N 408 109.716 109.716 112.159 -2.443 17742 1112 1 2 . 1 1 78 78 GLY C C 408 174.053 174.053 173.954 0.099 17742 1113 1 2 . 1 1 78 78 GLY CA C 408 45.519 45.519 44.975 0.544 17742 1114 1 2 . 1 1 78 78 GLY H H 408 8.531 8.531 8.686 -0.155 17742 1115 1 2 . 1 1 79 79 GLN N N 409 116.964 116.964 118.168 -1.204 17742 1116 1 2 . 1 1 79 79 GLN HA H 409 4.488 4.488 4.629 -0.141 17742 1117 1 2 . 1 1 79 79 GLN C C 409 175.390 175.390 175.077 0.313 17742 1118 1 2 . 1 1 79 79 GLN CA C 409 54.359 54.359 54.132 0.227 17742 1119 1 2 . 1 1 79 79 GLN CB C 409 31.202 31.202 31.131 0.071 17742 1120 1 2 . 1 1 79 79 GLN H H 409 7.559 7.559 7.773 -0.214 17742 1121 1 2 . 1 1 80 80 ARG N N 410 120.457 120.457 120.526 -0.069 17742 1122 1 2 . 1 1 80 80 ARG HA H 410 4.262 4.262 4.267 -0.005 17742 1123 1 2 . 1 1 80 80 ARG C C 410 176.270 176.270 176.822 -0.552 17742 1124 1 2 . 1 1 80 80 ARG CA C 410 56.821 56.821 56.117 0.704 17742 1125 1 2 . 1 1 80 80 ARG CB C 410 31.502 31.502 29.957 1.545 17742 1126 1 2 . 1 1 80 80 ARG H H 410 8.251 8.251 8.472 -0.221 17742 1127 1 2 . 1 1 81 81 LEU N N 411 119.348 119.348 121.911 -2.563 17742 1128 1 2 . 1 1 81 81 LEU HA H 411 4.023 4.023 4.376 -0.353 17742 1129 1 2 . 1 1 81 81 LEU C C 411 173.279 173.279 175.916 -2.637 17742 1130 1 2 . 1 1 81 81 LEU CA C 411 55.030 55.030 54.029 1.001 17742 1131 1 2 . 1 1 81 81 LEU CB C 411 40.335 40.335 40.702 -0.367 17742 1132 1 2 . 1 1 81 81 LEU H H 411 8.435 8.435 8.222 0.213 17742 1133 1 2 . 1 1 82 82 LEU N N 412 119.070 119.070 121.239 -2.169 17742 1134 1 2 . 1 1 82 82 LEU HA H 412 5.013 5.013 4.241 0.772 17742 1135 1 2 . 1 1 82 82 LEU C C 412 175.361 175.361 175.728 -0.367 17742 1136 1 2 . 1 1 82 82 LEU CA C 412 53.212 53.212 54.267 -1.055 17742 1137 1 2 . 1 1 82 82 LEU CB C 412 45.471 45.471 41.321 4.150 17742 1138 1 2 . 1 1 82 82 LEU H H 412 6.751 6.751 7.378 -0.627 17742 1139 1 2 . 1 1 83 83 PHE N N 413 122.184 122.184 124.531 -2.347 17742 1140 1 2 . 1 1 83 83 PHE HA H 413 4.865 4.865 5.470 -0.605 17742 1141 1 2 . 1 1 83 83 PHE C C 413 172.849 172.849 174.558 -1.709 17742 1142 1 2 . 1 1 83 83 PHE CA C 413 55.921 55.921 54.352 1.569 17742 1143 1 2 . 1 1 83 83 PHE CB C 413 44.569 44.569 42.612 1.957 17742 1144 1 2 . 1 1 83 83 PHE H H 413 8.661 8.661 8.937 -0.276 17742 1145 1 2 . 1 1 84 84 ARG N N 414 119.461 119.461 119.786 -0.325 17742 1146 1 2 . 1 1 84 84 ARG HA H 414 5.581 5.581 5.384 0.197 17742 1147 1 2 . 1 1 84 84 ARG C C 414 177.641 177.641 174.988 2.653 17742 1148 1 2 . 1 1 84 84 ARG CA C 414 54.239 54.239 55.217 -0.978 17742 1149 1 2 . 1 1 84 84 ARG CB C 414 36.198 36.198 34.235 1.963 17742 1150 1 2 . 1 1 84 84 ARG H H 414 9.098 9.098 9.172 -0.074 17742 1151 1 2 . 1 1 85 85 PHE N N 415 124.274 124.274 127.807 -3.533 17742 1152 1 2 . 1 1 85 85 PHE HA H 415 5.027 5.027 5.057 -0.030 17742 1153 1 2 . 1 1 85 85 PHE C C 415 176.117 176.117 175.798 0.319 17742 1154 1 2 . 1 1 85 85 PHE CA C 415 59.657 59.657 58.847 0.810 17742 1155 1 2 . 1 1 85 85 PHE CB C 415 40.819 40.819 38.226 2.593 17742 1156 1 2 . 1 1 85 85 PHE H H 415 8.928 8.928 9.591 -0.663 17742 1157 1 2 . 1 1 86 86 MET N N 416 121.081 121.081 121.672 -0.591 17742 1158 1 2 . 1 1 86 86 MET HA H 416 4.656 4.656 4.295 0.361 17742 1159 1 2 . 1 1 86 86 MET C C 416 176.444 176.444 176.581 -0.137 17742 1160 1 2 . 1 1 86 86 MET CA C 416 54.681 54.681 58.469 -3.788 17742 1161 1 2 . 1 1 86 86 MET CB C 416 31.698 31.698 32.893 -1.195 17742 1162 1 2 . 1 1 86 86 MET H H 416 8.676 8.676 8.573 0.103 17742 1163 1 2 . 1 1 87 87 LYS N N 417 117.772 117.772 113.647 4.125 17742 1164 1 2 . 1 1 87 87 LYS HA H 417 4.899 4.899 4.736 0.163 17742 1165 1 2 . 1 1 87 87 LYS C C 417 175.621 175.621 174.978 0.643 17742 1166 1 2 . 1 1 87 87 LYS CA C 417 54.522 54.522 54.545 -0.023 17742 1167 1 2 . 1 1 87 87 LYS CB C 417 37.905 37.905 35.712 2.193 17742 1168 1 2 . 1 1 87 87 LYS H H 417 7.624 7.624 7.390 0.234 17742 1169 1 2 . 1 1 88 88 THR N N 418 112.426 112.426 110.399 2.027 17742 1170 1 2 . 1 1 88 88 THR HA H 418 4.372 4.372 4.474 -0.102 17742 1171 1 2 . 1 1 88 88 THR CA C 418 59.786 59.786 58.093 1.693 17742 1172 1 2 . 1 1 88 88 THR CB C 418 68.040 68.040 69.105 -1.065 17742 1173 1 2 . 1 1 88 88 THR H H 418 8.787 8.787 9.048 -0.261 17742 1174 1 2 . 1 1 89 89 PRO HA H 419 3.654 3.654 2.942 0.712 17742 1175 1 2 . 1 1 89 89 PRO C C 419 177.412 177.412 178.336 -0.924 17742 1176 1 2 . 1 1 89 89 PRO CA C 419 65.712 65.712 66.228 -0.516 17742 1177 1 2 . 1 1 89 89 PRO CB C 419 31.762 31.762 31.608 0.154 17742 1178 1 2 . 1 1 90 90 ASP N N 420 114.221 114.221 115.309 -1.088 17742 1179 1 2 . 1 1 90 90 ASP HA H 420 4.224 4.224 4.321 -0.097 17742 1180 1 2 . 1 1 90 90 ASP C C 420 178.341 178.341 177.637 0.704 17742 1181 1 2 . 1 1 90 90 ASP CA C 420 56.657 56.657 56.389 0.268 17742 1182 1 2 . 1 1 90 90 ASP CB C 420 40.642 40.642 40.578 0.064 17742 1183 1 2 . 1 1 90 90 ASP H H 420 7.958 7.958 8.472 -0.514 17742 1184 1 2 . 1 1 91 91 GLU N N 421 119.443 119.443 117.511 1.932 17742 1185 1 2 . 1 1 91 91 GLU HA H 421 4.006 4.006 4.054 -0.048 17742 1186 1 2 . 1 1 91 91 GLU C C 421 179.238 179.238 178.558 0.680 17742 1187 1 2 . 1 1 91 91 GLU CA C 421 58.458 58.458 58.620 -0.162 17742 1188 1 2 . 1 1 91 91 GLU CB C 421 30.774 30.774 30.057 0.717 17742 1189 1 2 . 1 1 91 91 GLU H H 421 7.628 7.628 7.627 0.001 17742 1190 1 2 . 1 1 92 92 ILE N N 422 120.617 120.617 120.655 -0.038 17742 1191 1 2 . 1 1 92 92 ILE HA H 422 3.589 3.589 3.567 0.022 17742 1192 1 2 . 1 1 92 92 ILE C C 422 178.124 178.124 176.792 1.332 17742 1193 1 2 . 1 1 92 92 ILE CA C 422 63.878 63.878 64.523 -0.645 17742 1194 1 2 . 1 1 92 92 ILE CB C 422 38.142 38.142 37.590 0.552 17742 1195 1 2 . 1 1 92 92 ILE H H 422 7.896 7.896 7.569 0.327 17742 1196 1 2 . 1 1 93 93 MET N N 423 117.857 117.857 115.913 1.944 17742 1197 1 2 . 1 1 93 93 MET HA H 423 4.365 4.365 4.303 0.062 17742 1198 1 2 . 1 1 93 93 MET C C 423 177.009 177.009 176.392 0.617 17742 1199 1 2 . 1 1 93 93 MET CA C 423 56.527 56.527 56.622 -0.095 17742 1200 1 2 . 1 1 93 93 MET CB C 423 32.617 32.617 31.792 0.825 17742 1201 1 2 . 1 1 93 93 MET H H 423 8.161 8.161 7.591 0.570 17742 1202 1 2 . 1 1 94 94 SER N N 424 114.591 114.591 114.470 0.121 17742 1203 1 2 . 1 1 94 94 SER HA H 424 4.406 4.406 4.345 0.061 17742 1204 1 2 . 1 1 94 94 SER C C 424 175.262 175.262 174.892 0.370 17742 1205 1 2 . 1 1 94 94 SER CA C 424 59.482 59.482 59.152 0.330 17742 1206 1 2 . 1 1 94 94 SER CB C 424 63.466 63.466 63.039 0.427 17742 1207 1 2 . 1 1 94 94 SER H H 424 7.744 7.744 7.581 0.163 17742 1208 1 2 . 1 1 95 95 GLY N N 425 109.590 109.590 108.867 0.723 17742 1209 1 2 . 1 1 95 95 GLY C C 425 174.197 174.197 176.017 -1.820 17742 1210 1 2 . 1 1 95 95 GLY CA C 425 45.122 45.122 45.462 -0.340 17742 1211 1 2 . 1 1 95 95 GLY H H 425 7.970 7.970 7.650 0.320 17742 1212 1 2 . 1 1 96 96 ARG N N 426 119.792 119.792 123.301 -3.509 17742 1213 1 2 . 1 1 96 96 ARG HA H 426 4.567 4.567 4.215 0.352 17742 1214 1 2 . 1 1 96 96 ARG C C 426 177.866 177.866 178.077 -0.211 17742 1215 1 2 . 1 1 96 96 ARG CA C 426 55.757 55.757 57.387 -1.630 17742 1216 1 2 . 1 1 96 96 ARG CB C 426 30.059 30.059 29.408 0.651 17742 1217 1 2 . 1 1 96 96 ARG H H 426 8.144 8.144 8.206 -0.062 17742 1218 1 2 . 1 1 97 97 THR N N 427 114.770 114.770 112.837 1.933 17742 1219 1 2 . 1 1 97 97 THR HA H 427 4.221 4.221 4.219 0.002 17742 1220 1 2 . 1 1 97 97 THR C C 427 175.449 175.449 176.129 -0.680 17742 1221 1 2 . 1 1 97 97 THR CA C 427 63.411 63.411 65.942 -2.531 17742 1222 1 2 . 1 1 97 97 THR CB C 427 69.080 69.080 67.989 1.091 17742 1223 1 2 . 1 1 97 97 THR H H 427 8.427 8.427 7.710 0.717 17742 1224 1 2 . 1 1 98 98 ASP N N 428 122.017 122.017 123.385 -1.368 17742 1225 1 2 . 1 1 98 98 ASP HA H 428 4.404 4.404 4.374 0.030 17742 1226 1 2 . 1 1 98 98 ASP C C 428 178.042 178.042 178.204 -0.162 17742 1227 1 2 . 1 1 98 98 ASP CA C 428 56.438 56.438 59.008 -2.570 17742 1228 1 2 . 1 1 98 98 ASP CB C 428 40.012 40.012 40.513 -0.501 17742 1229 1 2 . 1 1 98 98 ASP H H 428 8.659 8.659 7.883 0.776 17742 1230 1 2 . 1 1 99 99 ARG N N 429 120.083 120.083 119.350 0.733 17742 1231 1 2 . 1 1 99 99 ARG HA H 429 4.190 4.190 4.143 0.047 17742 1232 1 2 . 1 1 99 99 ARG C C 429 178.236 178.236 178.188 0.048 17742 1233 1 2 . 1 1 99 99 ARG CA C 429 58.307 58.307 58.934 -0.627 17742 1234 1 2 . 1 1 99 99 ARG CB C 429 30.073 30.073 30.186 -0.113 17742 1235 1 2 . 1 1 99 99 ARG H H 429 8.011 8.011 7.530 0.481 17742 1236 1 2 . 1 1 100 100 LEU N N 430 119.784 119.784 121.156 -1.372 17742 1237 1 2 . 1 1 100 100 LEU HA H 430 4.048 4.048 4.243 -0.195 17742 1238 1 2 . 1 1 100 100 LEU C C 430 178.209 178.209 178.790 -0.581 17742 1239 1 2 . 1 1 100 100 LEU CA C 430 57.535 57.535 58.214 -0.679 17742 1240 1 2 . 1 1 100 100 LEU CB C 430 42.218 42.218 41.802 0.416 17742 1241 1 2 . 1 1 100 100 LEU H H 430 7.667 7.667 7.588 0.079 17742 1242 1 2 . 1 1 101 101 GLU N N 431 119.434 119.434 118.491 0.943 17742 1243 1 2 . 1 1 101 101 GLU HA H 431 3.962 3.962 3.981 -0.019 17742 1244 1 2 . 1 1 101 101 GLU C C 431 178.773 178.773 179.305 -0.532 17742 1245 1 2 . 1 1 101 101 GLU CA C 431 59.470 59.470 59.596 -0.126 17742 1246 1 2 . 1 1 101 101 GLU CB C 431 29.667 29.667 29.176 0.491 17742 1247 1 2 . 1 1 101 101 GLU H H 431 8.339 8.339 8.767 -0.428 17742 1248 1 2 . 1 1 102 102 HIS N N 432 118.026 118.026 118.403 -0.377 17742 1249 1 2 . 1 1 102 102 HIS HA H 432 4.463 4.463 4.469 -0.006 17742 1250 1 2 . 1 1 102 102 HIS C C 432 177.322 177.322 177.615 -0.293 17742 1251 1 2 . 1 1 102 102 HIS CA C 432 58.432 58.432 59.046 -0.614 17742 1252 1 2 . 1 1 102 102 HIS CB C 432 29.237 29.237 30.397 -1.160 17742 1253 1 2 . 1 1 102 102 HIS H H 432 7.995 7.995 7.509 0.486 17742 1254 1 2 . 1 1 103 103 LEU N N 433 120.785 120.785 121.471 -0.686 17742 1255 1 2 . 1 1 103 103 LEU HA H 433 3.971 3.971 4.294 -0.323 17742 1256 1 2 . 1 1 103 103 LEU C C 433 179.014 179.014 178.881 0.133 17742 1257 1 2 . 1 1 103 103 LEU CA C 433 57.570 57.570 57.383 0.187 17742 1258 1 2 . 1 1 103 103 LEU CB C 433 41.606 41.606 41.035 0.571 17742 1259 1 2 . 1 1 103 103 LEU H H 433 8.077 8.077 8.507 -0.430 17742 1260 1 2 . 1 1 104 104 GLU N N 434 119.107 119.107 119.528 -0.421 17742 1261 1 2 . 1 1 104 104 GLU HA H 434 4.025 4.025 4.072 -0.047 17742 1262 1 2 . 1 1 104 104 GLU C C 434 178.187 178.187 179.143 -0.956 17742 1263 1 2 . 1 1 104 104 GLU CA C 434 60.221 60.221 60.567 -0.346 17742 1264 1 2 . 1 1 104 104 GLU CB C 434 30.104 30.104 29.344 0.760 17742 1265 1 2 . 1 1 104 104 GLU H H 434 8.443 8.443 8.852 -0.409 17742 1266 1 2 . 1 1 105 105 SER N N 435 114.129 114.129 112.327 1.802 17742 1267 1 2 . 1 1 105 105 SER HA H 435 4.204 4.204 4.128 0.076 17742 1268 1 2 . 1 1 105 105 SER C C 435 175.924 175.924 175.979 -0.055 17742 1269 1 2 . 1 1 105 105 SER CA C 435 61.303 61.303 60.799 0.504 17742 1270 1 2 . 1 1 105 105 SER CB C 435 63.070 63.070 62.740 0.330 17742 1271 1 2 . 1 1 105 105 SER H H 435 8.041 8.041 8.313 -0.272 17742 1272 1 2 . 1 1 106 106 GLN N N 436 120.201 120.201 120.340 -0.139 17742 1273 1 2 . 1 1 106 106 GLN HA H 436 4.124 4.124 4.145 -0.021 17742 1274 1 2 . 1 1 106 106 GLN C C 436 178.242 178.242 178.260 -0.018 17742 1275 1 2 . 1 1 106 106 GLN CA C 436 58.242 58.242 58.234 0.008 17742 1276 1 2 . 1 1 106 106 GLN CB C 436 29.001 29.001 29.072 -0.071 17742 1277 1 2 . 1 1 106 106 GLN H H 436 7.823 7.823 7.705 0.118 17742 1278 1 2 . 1 1 107 107 VAL N N 437 117.503 117.503 120.793 -3.290 17742 1279 1 2 . 1 1 107 107 VAL HA H 437 3.955 3.955 3.878 0.077 17742 1280 1 2 . 1 1 107 107 VAL C C 437 177.462 177.462 177.437 0.025 17742 1281 1 2 . 1 1 107 107 VAL CA C 437 64.414 64.414 65.305 -0.890 17742 1282 1 2 . 1 1 107 107 VAL CB C 437 32.192 32.192 31.622 0.570 17742 1283 1 2 . 1 1 107 107 VAL H H 437 7.711 7.711 8.643 -0.932 17742 1284 1 2 . 1 1 108 108 LEU HA H 438 4.072 4.072 4.148 -0.076 17742 1285 1 2 . 1 1 108 108 LEU C C 438 177.614 177.614 177.963 -0.349 17742 1286 1 2 . 1 1 108 108 LEU CA C 438 56.521 56.521 56.555 -0.034 17742 1287 1 2 . 1 1 108 108 LEU CB C 438 42.149 42.149 41.245 0.904 17742 1288 1 2 . 1 1 109 109 ASP N N 439 118.500 118.500 116.606 1.894 17742 1289 1 2 . 1 1 109 109 ASP HA H 439 4.685 4.685 4.547 0.138 17742 1290 1 2 . 1 1 109 109 ASP C C 439 176.372 176.372 177.410 -1.038 17742 1291 1 2 . 1 1 109 109 ASP CA C 439 54.653 54.653 54.857 -0.204 17742 1292 1 2 . 1 1 109 109 ASP CB C 439 41.425 41.425 41.378 0.047 17742 1293 1 2 . 1 1 109 109 ASP H H 439 7.872 7.872 7.358 0.514 17742 1294 1 2 . 1 1 110 110 GLU N N 440 120.701 120.701 118.335 2.366 17742 1295 1 2 . 1 1 110 110 GLU HA H 440 4.188 4.188 4.082 0.106 17742 1296 1 2 . 1 1 110 110 GLU C C 440 176.739 176.739 177.035 -0.296 17742 1297 1 2 . 1 1 110 110 GLU CA C 440 57.310 57.310 58.044 -0.734 17742 1298 1 2 . 1 1 110 110 GLU CB C 440 30.091 30.091 29.935 0.156 17742 1299 1 2 . 1 1 110 110 GLU H H 440 7.929 7.929 8.058 -0.129 17742 1300 1 2 . 1 1 111 111 GLN N N 441 120.829 120.829 116.785 4.044 17742 1301 1 2 . 1 1 111 111 GLN HA H 441 4.341 4.341 4.300 0.041 17742 1302 1 2 . 1 1 111 111 GLN C C 441 176.214 176.214 175.925 0.289 17742 1303 1 2 . 1 1 111 111 GLN CA C 441 56.103 56.103 56.178 -0.076 17742 1304 1 2 . 1 1 111 111 GLN CB C 441 29.607 29.607 29.810 -0.203 17742 1305 1 2 . 1 1 111 111 GLN H H 441 8.434 8.434 7.718 0.716 17742 1306 1 2 . 1 1 112 112 THR N N 442 114.861 114.861 117.083 -2.222 17742 1307 1 2 . 1 1 112 112 THR HA H 442 4.258 4.258 4.295 -0.037 17742 1308 1 2 . 1 1 112 112 THR C C 442 174.095 174.095 176.874 -2.779 17742 1309 1 2 . 1 1 112 112 THR CA C 442 62.140 62.140 61.942 0.198 17742 1310 1 2 . 1 1 112 112 THR CB C 442 69.870 69.870 69.377 0.493 17742 1311 1 2 . 1 1 112 112 THR H H 442 8.038 8.038 8.445 -0.407 17742 1312 1 2 . 1 1 113 113 TYR N N 443 122.709 122.709 119.849 2.860 17742 1313 1 2 . 1 1 113 113 TYR HA H 443 4.552 4.552 4.376 0.176 17742 1314 1 2 . 1 1 113 113 TYR C C 443 175.303 175.303 174.662 0.641 17742 1315 1 2 . 1 1 113 113 TYR CA C 443 57.921 57.921 57.179 0.742 17742 1316 1 2 . 1 1 113 113 TYR CB C 443 38.982 38.982 36.149 2.833 17742 1317 1 2 . 1 1 113 113 TYR H H 443 8.171 8.171 8.572 -0.401 17742 1318 1 2 . 1 1 114 114 GLN N N 444 122.768 122.768 118.425 4.343 17742 1319 1 2 . 1 1 114 114 GLN HA H 444 4.284 4.284 3.725 0.559 17742 1320 1 2 . 1 1 114 114 GLN C C 444 175.372 175.372 174.968 0.404 17742 1321 1 2 . 1 1 114 114 GLN CA C 444 55.543 55.543 55.942 -0.399 17742 1322 1 2 . 1 1 114 114 GLN CB C 444 29.894 29.894 27.641 2.253 17742 1323 1 2 . 1 1 114 114 GLN H H 444 8.202 8.202 7.662 0.540 17742 1324 1 2 . 1 1 115 115 GLU N N 445 122.370 122.370 119.441 2.929 17742 1325 1 2 . 1 1 115 115 GLU HA H 445 4.225 4.225 3.032 1.193 17742 1326 1 2 . 1 1 115 115 GLU C C 445 176.058 176.058 175.417 0.641 17742 1327 1 2 . 1 1 115 115 GLU CA C 445 56.612 56.612 56.870 -0.258 17742 1328 1 2 . 1 1 115 115 GLU CB C 445 30.517 30.517 29.519 0.998 17742 1329 1 2 . 1 1 115 115 GLU H H 445 8.371 8.371 7.507 0.864 17742 1330 1 2 . 1 1 116 116 ASP N N 446 121.090 121.090 124.740 -3.650 17742 1331 1 2 . 1 1 116 116 ASP HA H 446 4.595 4.595 4.515 0.080 17742 1332 1 2 . 1 1 116 116 ASP C C 446 175.872 175.872 175.285 0.587 17742 1333 1 2 . 1 1 116 116 ASP CA C 446 54.382 54.382 54.828 -0.445 17742 1334 1 2 . 1 1 116 116 ASP CB C 446 41.402 41.402 41.860 -0.458 17742 1335 1 2 . 1 1 116 116 ASP H H 446 8.336 8.336 8.494 -0.158 17742 1336 1 2 . 1 1 117 117 GLU N N 447 121.977 121.977 118.162 3.815 17742 1337 1 2 . 1 1 117 117 GLU HA H 447 4.575 4.575 4.737 -0.162 17742 1338 1 2 . 1 1 117 117 GLU CA C 447 54.442 54.442 53.271 1.171 17742 1339 1 2 . 1 1 117 117 GLU CB C 447 30.254 30.254 30.363 -0.109 17742 1340 1 2 . 1 1 117 117 GLU H H 447 8.194 8.194 8.002 0.192 17742 1341 1 2 . 1 1 118 118 PRO HA H 448 4.461 4.461 4.847 -0.386 17742 1342 1 2 . 1 1 118 118 PRO C C 448 177.160 177.160 176.144 1.016 17742 1343 1 2 . 1 1 118 118 PRO CA C 448 63.371 63.371 63.105 0.266 17742 1344 1 2 . 1 1 118 118 PRO CB C 448 32.302 32.302 30.466 1.836 17742 1345 1 2 . 1 1 119 119 THR N N 449 114.788 114.788 117.464 -2.676 17742 1346 1 2 . 1 1 119 119 THR HA H 449 4.292 4.292 4.518 -0.226 17742 1347 1 2 . 1 1 119 119 THR C C 449 174.664 174.664 173.980 0.684 17742 1348 1 2 . 1 1 119 119 THR CA C 449 62.117 62.117 61.946 0.171 17742 1349 1 2 . 1 1 119 119 THR CB C 449 69.861 69.861 70.050 -0.189 17742 1350 1 2 . 1 1 119 119 THR H H 449 8.235 8.235 8.801 -0.566 17742 1351 1 2 . 1 1 120 120 ILE N N 450 123.074 123.074 125.383 -2.309 17742 1352 1 2 . 1 1 120 120 ILE HA H 450 4.169 4.169 4.057 0.112 17742 1353 1 2 . 1 1 120 120 ILE C C 450 175.683 175.683 175.330 0.353 17742 1354 1 2 . 1 1 120 120 ILE CA C 450 60.987 60.987 59.487 1.500 17742 1355 1 2 . 1 1 120 120 ILE CB C 450 38.983 38.983 36.754 2.229 17742 1356 1 2 . 1 1 120 120 ILE H H 450 8.043 8.043 8.434 -0.391 17742 1357 1 2 . 1 1 121 121 ALA N N 451 128.011 128.011 131.324 -3.313 17742 1358 1 2 . 1 1 121 121 ALA HA H 451 4.332 4.332 4.467 -0.135 17742 1359 1 2 . 1 1 121 121 ALA C C 451 177.333 177.333 176.585 0.748 17742 1360 1 2 . 1 1 121 121 ALA CA C 451 52.364 52.364 51.454 0.910 17742 1361 1 2 . 1 1 121 121 ALA CB C 451 19.534 19.534 18.676 0.858 17742 1362 1 2 . 1 1 121 121 ALA H H 451 8.277 8.277 8.320 -0.043 17742 1363 1 2 . 1 1 122 122 SER N N 452 116.575 116.575 116.742 -0.167 17742 1364 1 2 . 1 1 122 122 SER HA H 452 4.672 4.672 4.263 0.409 17742 1365 1 2 . 1 1 122 122 SER CA C 452 56.230 56.230 58.317 -2.087 17742 1366 1 2 . 1 1 122 122 SER CB C 452 63.460 63.460 62.104 1.356 17742 1367 1 2 . 1 1 122 122 SER H H 452 8.161 8.161 8.176 -0.015 17742 1368 1 2 . 1 1 123 123 PRO HA H 453 4.395 4.395 4.273 0.122 17742 1369 1 2 . 1 1 123 123 PRO C C 453 176.993 176.993 175.963 1.030 17742 1370 1 2 . 1 1 123 123 PRO CA C 453 63.303 63.303 63.130 0.173 17742 1371 1 2 . 1 1 123 123 PRO CB C 453 32.149 32.149 31.534 0.615 17742 1372 1 2 . 1 1 124 124 VAL N N 454 119.733 119.733 123.804 -4.071 17742 1373 1 2 . 1 1 124 124 VAL HA H 454 4.010 4.010 3.873 0.137 17742 1374 1 2 . 1 1 124 124 VAL CA C 454 62.674 62.674 61.524 1.150 17742 1375 1 2 . 1 1 124 124 VAL CB C 454 32.669 32.669 31.855 0.813 17742 1376 1 2 . 1 1 124 124 VAL H H 454 8.058 8.058 7.732 0.326 17742 1377 1 2 . 1 1 125 125 GLY N N 455 111.901 111.901 109.737 2.164 17742 1378 1 2 . 1 1 125 125 GLY CA C 455 45.152 45.152 45.376 -0.223 17742 1379 1 2 . 1 1 125 125 GLY H H 455 8.255 8.255 7.898 0.357 17742 1380 1 2 . 1 1 126 126 TRP N N 456 122.405 122.405 122.100 0.305 17742 1381 1 2 . 1 1 126 126 TRP HA H 456 4.929 4.929 4.861 0.068 17742 1382 1 2 . 1 1 126 126 TRP CA C 456 55.029 55.029 53.508 1.521 17742 1383 1 2 . 1 1 126 126 TRP CB C 456 29.383 29.383 28.577 0.806 17742 1384 1 2 . 1 1 126 126 TRP H H 456 7.906 7.906 7.894 0.012 17742 1385 1 2 . 1 1 127 127 PRO HA H 457 4.429 4.429 4.559 -0.130 17742 1386 1 2 . 1 1 127 127 PRO C C 457 175.951 175.951 175.884 0.067 17742 1387 1 2 . 1 1 127 127 PRO CA C 457 63.558 63.558 63.036 0.522 17742 1388 1 2 . 1 1 127 127 PRO CB C 457 31.932 31.932 31.078 0.854 17742 1389 1 3 . 1 1 5 5 ARG N N 335 123.607 123.607 125.465 -1.858 17742 1390 1 3 . 1 1 5 5 ARG HA H 335 4.382 4.382 4.562 -0.180 17742 1391 1 3 . 1 1 5 5 ARG CA C 335 56.926 56.926 55.581 1.345 17742 1392 1 3 . 1 1 5 5 ARG H H 335 9.161 9.161 8.283 0.878 17742 1393 1 3 . 1 1 6 6 LEU N N 336 122.412 122.412 118.829 3.583 17742 1394 1 3 . 1 1 6 6 LEU CB C 336 42.172 42.172 42.099 0.073 17742 1395 1 3 . 1 1 6 6 LEU H H 336 8.775 8.775 7.254 1.521 17742 1396 1 3 . 1 1 7 7 LEU HA H 337 3.669 3.669 4.327 -0.658 17742 1397 1 3 . 1 1 7 7 LEU CA C 337 59.053 59.053 58.459 0.594 17742 1398 1 3 . 1 1 7 7 LEU CB C 337 40.447 40.447 42.116 -1.669 17742 1399 1 3 . 1 1 8 8 TRP N N 338 114.197 114.197 115.410 -1.213 17742 1400 1 3 . 1 1 8 8 TRP HA H 338 3.747 3.747 4.654 -0.907 17742 1401 1 3 . 1 1 8 8 TRP CA C 338 60.071 60.071 59.150 0.921 17742 1402 1 3 . 1 1 8 8 TRP CB C 338 28.481 28.481 28.471 0.010 17742 1403 1 3 . 1 1 8 8 TRP H H 338 7.595 7.595 7.665 -0.070 17742 1404 1 3 . 1 1 9 9 ASP HA H 339 3.648 3.648 4.614 -0.966 17742 1405 1 3 . 1 1 9 9 ASP C C 339 177.491 177.491 177.980 -0.489 17742 1406 1 3 . 1 1 9 9 ASP CA C 339 56.197 56.197 56.985 -0.788 17742 1407 1 3 . 1 1 9 9 ASP CB C 339 41.702 41.702 40.732 0.970 17742 1408 1 3 . 1 1 10 10 TYR N N 340 120.786 120.786 121.024 -0.238 17742 1409 1 3 . 1 1 10 10 TYR HA H 340 3.851 3.851 4.098 -0.247 17742 1410 1 3 . 1 1 10 10 TYR C C 340 177.016 177.016 177.489 -0.473 17742 1411 1 3 . 1 1 10 10 TYR CA C 340 61.921 61.921 61.623 0.298 17742 1412 1 3 . 1 1 10 10 TYR CB C 340 39.202 39.202 38.837 0.365 17742 1413 1 3 . 1 1 10 10 TYR H H 340 7.929 7.929 7.978 -0.049 17742 1414 1 3 . 1 1 11 11 VAL N N 341 114.828 114.828 118.926 -4.098 17742 1415 1 3 . 1 1 11 11 VAL HA H 341 2.982 2.982 3.489 -0.507 17742 1416 1 3 . 1 1 11 11 VAL C C 341 176.795 176.795 177.022 -0.227 17742 1417 1 3 . 1 1 11 11 VAL CA C 341 66.855 66.855 66.259 0.596 17742 1418 1 3 . 1 1 11 11 VAL CB C 341 31.152 31.152 31.949 -0.797 17742 1419 1 3 . 1 1 11 11 VAL H H 341 8.291 8.291 8.652 -0.361 17742 1420 1 3 . 1 1 12 12 TYR N N 342 119.177 119.177 119.773 -0.596 17742 1421 1 3 . 1 1 12 12 TYR HA H 342 3.617 3.617 3.847 -0.230 17742 1422 1 3 . 1 1 12 12 TYR C C 342 178.765 178.765 177.237 1.528 17742 1423 1 3 . 1 1 12 12 TYR CA C 342 62.960 62.960 61.172 1.788 17742 1424 1 3 . 1 1 12 12 TYR CB C 342 38.232 38.232 38.220 0.012 17742 1425 1 3 . 1 1 12 12 TYR H H 342 7.712 7.712 7.956 -0.244 17742 1426 1 3 . 1 1 13 13 GLN N N 343 118.873 118.873 118.492 0.381 17742 1427 1 3 . 1 1 13 13 GLN HA H 343 3.833 3.833 3.965 -0.132 17742 1428 1 3 . 1 1 13 13 GLN C C 343 179.917 179.917 178.433 1.484 17742 1429 1 3 . 1 1 13 13 GLN CA C 343 58.821 58.821 58.445 0.376 17742 1430 1 3 . 1 1 13 13 GLN CB C 343 27.649 27.649 28.633 -0.984 17742 1431 1 3 . 1 1 13 13 GLN H H 343 8.076 8.076 7.822 0.254 17742 1432 1 3 . 1 1 14 14 LEU N N 344 121.381 121.381 120.843 0.538 17742 1433 1 3 . 1 1 14 14 LEU HA H 344 3.611 3.611 3.590 0.021 17742 1434 1 3 . 1 1 14 14 LEU C C 344 179.861 179.861 179.046 0.815 17742 1435 1 3 . 1 1 14 14 LEU CA C 344 58.121 58.121 57.217 0.904 17742 1436 1 3 . 1 1 14 14 LEU CB C 344 41.382 41.382 41.521 -0.139 17742 1437 1 3 . 1 1 14 14 LEU H H 344 7.772 7.772 7.539 0.233 17742 1438 1 3 . 1 1 15 15 LEU N N 345 116.801 116.801 116.824 -0.023 17742 1439 1 3 . 1 1 15 15 LEU HA H 345 3.513 3.513 3.855 -0.342 17742 1440 1 3 . 1 1 15 15 LEU C C 345 178.221 178.221 178.306 -0.085 17742 1441 1 3 . 1 1 15 15 LEU CA C 345 56.568 56.568 57.032 -0.464 17742 1442 1 3 . 1 1 15 15 LEU CB C 345 41.431 41.431 41.030 0.401 17742 1443 1 3 . 1 1 15 15 LEU H H 345 7.546 7.546 7.808 -0.262 17742 1444 1 3 . 1 1 16 16 SER N N 346 112.511 112.511 111.574 0.937 17742 1445 1 3 . 1 1 16 16 SER HA H 346 4.542 4.542 4.475 0.067 17742 1446 1 3 . 1 1 16 16 SER C C 346 172.510 172.510 174.189 -1.679 17742 1447 1 3 . 1 1 16 16 SER CA C 346 58.891 58.891 58.787 0.104 17742 1448 1 3 . 1 1 16 16 SER CB C 346 63.993 63.993 63.689 0.304 17742 1449 1 3 . 1 1 16 16 SER H H 346 7.277 7.277 7.297 -0.020 17742 1450 1 3 . 1 1 17 17 ASP N N 347 122.234 122.234 120.597 1.637 17742 1451 1 3 . 1 1 17 17 ASP HA H 347 4.969 4.969 4.960 0.009 17742 1452 1 3 . 1 1 17 17 ASP C C 347 175.703 175.703 176.353 -0.650 17742 1453 1 3 . 1 1 17 17 ASP CA C 347 52.761 52.761 53.172 -0.410 17742 1454 1 3 . 1 1 17 17 ASP CB C 347 43.427 43.427 43.715 -0.289 17742 1455 1 3 . 1 1 17 17 ASP H H 347 7.353 7.353 7.747 -0.394 17742 1456 1 3 . 1 1 18 18 SER N N 348 120.139 120.139 120.450 -0.311 17742 1457 1 3 . 1 1 18 18 SER HA H 348 4.371 4.371 4.367 0.004 17742 1458 1 3 . 1 1 18 18 SER C C 348 176.259 176.259 176.076 0.183 17742 1459 1 3 . 1 1 18 18 SER CA C 348 61.131 61.131 59.975 1.155 17742 1460 1 3 . 1 1 18 18 SER CB C 348 63.177 63.177 62.971 0.206 17742 1461 1 3 . 1 1 18 18 SER H H 348 8.691 8.691 8.879 -0.188 17742 1462 1 3 . 1 1 19 19 ARG N N 349 122.716 122.716 122.923 -0.207 17742 1463 1 3 . 1 1 19 19 ARG HA H 349 4.114 4.114 3.911 0.203 17742 1464 1 3 . 1 1 19 19 ARG C C 349 178.154 178.154 178.046 0.108 17742 1465 1 3 . 1 1 19 19 ARG CA C 349 58.531 58.531 58.610 -0.079 17742 1466 1 3 . 1 1 19 19 ARG CB C 349 29.794 29.794 29.509 0.285 17742 1467 1 3 . 1 1 19 19 ARG H H 349 8.586 8.586 7.675 0.911 17742 1468 1 3 . 1 1 20 20 TYR N N 350 116.201 116.201 117.405 -1.204 17742 1469 1 3 . 1 1 20 20 TYR HA H 350 4.883 4.883 4.764 0.119 17742 1470 1 3 . 1 1 20 20 TYR C C 350 177.029 177.029 176.060 0.969 17742 1471 1 3 . 1 1 20 20 TYR CA C 350 58.741 58.741 56.544 2.197 17742 1472 1 3 . 1 1 20 20 TYR CB C 350 37.642 37.642 36.331 1.311 17742 1473 1 3 . 1 1 20 20 TYR H H 350 8.291 8.291 7.613 0.678 17742 1474 1 3 . 1 1 21 21 GLU N N 351 120.803 120.803 119.858 0.945 17742 1475 1 3 . 1 1 21 21 GLU HA H 351 4.466 4.466 4.299 0.167 17742 1476 1 3 . 1 1 21 21 GLU C C 351 176.324 176.324 176.979 -0.655 17742 1477 1 3 . 1 1 21 21 GLU CA C 351 59.132 59.132 58.843 0.289 17742 1478 1 3 . 1 1 21 21 GLU CB C 351 29.864 29.864 28.868 0.996 17742 1479 1 3 . 1 1 21 21 GLU H H 351 7.513 7.513 7.760 -0.247 17742 1480 1 3 . 1 1 22 22 ASN N N 352 114.531 114.531 115.005 -0.474 17742 1481 1 3 . 1 1 22 22 ASN HA H 352 4.492 4.492 4.664 -0.172 17742 1482 1 3 . 1 1 22 22 ASN C C 352 174.497 174.497 175.517 -1.020 17742 1483 1 3 . 1 1 22 22 ASN CA C 352 54.122 54.122 53.680 0.442 17742 1484 1 3 . 1 1 22 22 ASN CB C 352 36.935 36.935 39.107 -2.172 17742 1485 1 3 . 1 1 22 22 ASN H H 352 8.649 8.649 8.280 0.369 17742 1486 1 3 . 1 1 23 23 PHE N N 353 115.501 115.501 115.977 -0.476 17742 1487 1 3 . 1 1 23 23 PHE HA H 353 4.751 4.751 4.713 0.038 17742 1488 1 3 . 1 1 23 23 PHE C C 353 176.442 176.442 175.091 1.351 17742 1489 1 3 . 1 1 23 23 PHE CB C 353 41.502 41.502 42.054 -0.552 17742 1490 1 3 . 1 1 23 23 PHE H H 353 8.555 8.555 8.015 0.540 17742 1491 1 3 . 1 1 24 24 ILE N N 354 120.734 120.734 118.036 2.698 17742 1492 1 3 . 1 1 24 24 ILE HA H 354 5.059 5.059 4.984 0.075 17742 1493 1 3 . 1 1 24 24 ILE C C 354 179.332 179.332 173.076 6.256 17742 1494 1 3 . 1 1 24 24 ILE CA C 354 59.831 59.831 60.400 -0.569 17742 1495 1 3 . 1 1 24 24 ILE CB C 354 40.623 40.623 41.974 -1.351 17742 1496 1 3 . 1 1 24 24 ILE H H 354 8.428 8.428 8.823 -0.395 17742 1497 1 3 . 1 1 25 25 ARG N N 355 121.187 121.187 122.946 -1.759 17742 1498 1 3 . 1 1 25 25 ARG HA H 355 4.904 4.904 4.854 0.050 17742 1499 1 3 . 1 1 25 25 ARG C C 355 175.152 175.152 173.991 1.161 17742 1500 1 3 . 1 1 25 25 ARG CA C 355 54.529 54.529 54.417 0.112 17742 1501 1 3 . 1 1 25 25 ARG CB C 355 33.599 33.599 33.574 0.025 17742 1502 1 3 . 1 1 25 25 ARG H H 355 8.671 8.671 8.967 -0.296 17742 1503 1 3 . 1 1 26 26 TRP N N 356 122.024 122.024 122.001 0.023 17742 1504 1 3 . 1 1 26 26 TRP HA H 356 4.884 4.884 4.764 0.120 17742 1505 1 3 . 1 1 26 26 TRP C C 356 176.642 176.642 176.703 -0.061 17742 1506 1 3 . 1 1 26 26 TRP CA C 356 57.960 57.960 57.741 0.219 17742 1507 1 3 . 1 1 26 26 TRP CB C 356 30.634 30.634 29.819 0.815 17742 1508 1 3 . 1 1 26 26 TRP H H 356 9.159 9.159 8.861 0.298 17742 1509 1 3 . 1 1 27 27 GLU N N 357 125.331 125.331 123.494 1.837 17742 1510 1 3 . 1 1 27 27 GLU HA H 357 4.681 4.681 4.532 0.149 17742 1511 1 3 . 1 1 27 27 GLU C C 357 176.775 176.775 176.763 0.012 17742 1512 1 3 . 1 1 27 27 GLU CA C 357 56.990 56.990 57.467 -0.477 17742 1513 1 3 . 1 1 27 27 GLU CB C 357 31.579 31.579 31.142 0.437 17742 1514 1 3 . 1 1 27 27 GLU H H 357 9.504 9.504 8.782 0.722 17742 1515 1 3 . 1 1 28 28 ASP N N 358 116.213 116.213 119.937 -3.724 17742 1516 1 3 . 1 1 28 28 ASP HA H 358 4.771 4.771 4.924 -0.153 17742 1517 1 3 . 1 1 28 28 ASP C C 358 176.167 176.167 175.464 0.703 17742 1518 1 3 . 1 1 28 28 ASP CA C 358 53.541 53.541 53.783 -0.242 17742 1519 1 3 . 1 1 28 28 ASP CB C 358 41.932 41.932 42.598 -0.666 17742 1520 1 3 . 1 1 28 28 ASP H H 358 7.846 7.846 8.456 -0.610 17742 1521 1 3 . 1 1 29 29 LYS N N 359 127.762 127.762 125.048 2.714 17742 1522 1 3 . 1 1 29 29 LYS HA H 359 3.157 3.157 3.312 -0.155 17742 1523 1 3 . 1 1 29 29 LYS C C 359 178.776 178.776 177.872 0.904 17742 1524 1 3 . 1 1 29 29 LYS CA C 359 60.229 60.229 58.820 1.409 17742 1525 1 3 . 1 1 29 29 LYS CB C 359 32.734 32.734 32.096 0.638 17742 1526 1 3 . 1 1 29 29 LYS H H 359 9.216 9.216 8.567 0.649 17742 1527 1 3 . 1 1 30 30 GLU N N 360 119.601 119.601 118.487 1.114 17742 1528 1 3 . 1 1 30 30 GLU HA H 360 3.925 3.925 4.055 -0.130 17742 1529 1 3 . 1 1 30 30 GLU C C 360 178.684 178.684 178.236 0.448 17742 1530 1 3 . 1 1 30 30 GLU CA C 360 59.570 59.570 58.831 0.738 17742 1531 1 3 . 1 1 30 30 GLU CB C 360 29.177 29.177 29.375 -0.198 17742 1532 1 3 . 1 1 30 30 GLU H H 360 8.340 8.340 8.367 -0.027 17742 1533 1 3 . 1 1 31 31 SER N N 361 113.301 113.301 113.971 -0.670 17742 1534 1 3 . 1 1 31 31 SER HA H 361 4.494 4.494 4.367 0.127 17742 1535 1 3 . 1 1 31 31 SER C C 361 172.357 172.357 173.912 -1.555 17742 1536 1 3 . 1 1 31 31 SER CA C 361 58.807 58.807 60.294 -1.487 17742 1537 1 3 . 1 1 31 31 SER CB C 361 63.768 63.768 63.744 0.024 17742 1538 1 3 . 1 1 31 31 SER H H 361 7.463 7.463 8.363 -0.900 17742 1539 1 3 . 1 1 32 32 LYS N N 362 115.170 115.170 113.402 1.768 17742 1540 1 3 . 1 1 32 32 LYS HA H 362 3.910 3.910 4.302 -0.392 17742 1541 1 3 . 1 1 32 32 LYS C C 362 175.500 175.500 175.338 0.162 17742 1542 1 3 . 1 1 32 32 LYS CA C 362 57.630 57.630 56.974 0.656 17742 1543 1 3 . 1 1 32 32 LYS CB C 362 29.801 29.801 30.066 -0.265 17742 1544 1 3 . 1 1 32 32 LYS H H 362 7.752 7.752 7.783 -0.031 17742 1545 1 3 . 1 1 33 33 ILE N N 363 118.274 118.274 121.194 -2.920 17742 1546 1 3 . 1 1 33 33 ILE HA H 363 5.375 5.375 5.010 0.365 17742 1547 1 3 . 1 1 33 33 ILE C C 363 177.068 177.068 175.634 1.434 17742 1548 1 3 . 1 1 33 33 ILE CA C 363 60.428 60.428 60.575 -0.147 17742 1549 1 3 . 1 1 33 33 ILE CB C 363 40.206 40.206 37.699 2.507 17742 1550 1 3 . 1 1 33 33 ILE H H 363 8.262 8.262 8.060 0.202 17742 1551 1 3 . 1 1 34 34 PHE N N 364 128.285 128.285 126.559 1.726 17742 1552 1 3 . 1 1 34 34 PHE HA H 364 5.566 5.566 5.276 0.290 17742 1553 1 3 . 1 1 34 34 PHE C C 364 179.560 179.560 172.890 6.670 17742 1554 1 3 . 1 1 34 34 PHE CA C 364 55.080 55.080 55.107 -0.027 17742 1555 1 3 . 1 1 34 34 PHE CB C 364 44.097 44.097 42.602 1.495 17742 1556 1 3 . 1 1 34 34 PHE H H 364 9.936 9.936 9.292 0.644 17742 1557 1 3 . 1 1 35 35 ARG N N 365 120.953 120.953 122.937 -1.984 17742 1558 1 3 . 1 1 35 35 ARG HA H 365 5.484 5.484 4.571 0.913 17742 1559 1 3 . 1 1 35 35 ARG C C 365 176.522 176.522 174.494 2.028 17742 1560 1 3 . 1 1 35 35 ARG CA C 365 53.584 53.584 53.472 0.112 17742 1561 1 3 . 1 1 35 35 ARG CB C 365 36.439 36.439 33.851 2.588 17742 1562 1 3 . 1 1 35 35 ARG H H 365 9.430 9.430 9.167 0.263 17742 1563 1 3 . 1 1 36 36 ILE N N 366 125.455 125.455 127.650 -2.195 17742 1564 1 3 . 1 1 36 36 ILE HA H 366 4.201 4.201 4.020 0.181 17742 1565 1 3 . 1 1 36 36 ILE C C 366 173.923 173.923 175.186 -1.263 17742 1566 1 3 . 1 1 36 36 ILE CA C 366 63.110 63.110 62.395 0.715 17742 1567 1 3 . 1 1 36 36 ILE CB C 366 37.964 37.964 37.613 0.351 17742 1568 1 3 . 1 1 36 36 ILE H H 366 8.639 8.639 7.945 0.694 17742 1569 1 3 . 1 1 37 37 VAL N N 367 129.251 129.251 129.369 -0.118 17742 1570 1 3 . 1 1 37 37 VAL HA H 367 3.674 3.674 3.844 -0.170 17742 1571 1 3 . 1 1 37 37 VAL C C 367 175.948 175.948 175.621 0.327 17742 1572 1 3 . 1 1 37 37 VAL CA C 367 64.171 64.171 65.355 -1.184 17742 1573 1 3 . 1 1 37 37 VAL CB C 367 32.870 32.870 32.545 0.325 17742 1574 1 3 . 1 1 37 37 VAL H H 367 7.839 7.839 8.647 -0.808 17742 1575 1 3 . 1 1 38 38 ASP N N 368 114.991 114.991 118.868 -3.877 17742 1576 1 3 . 1 1 38 38 ASP HA H 368 5.213 5.213 5.055 0.158 17742 1577 1 3 . 1 1 38 38 ASP CA C 368 50.242 50.242 50.865 -0.623 17742 1578 1 3 . 1 1 38 38 ASP CB C 368 42.169 42.169 41.449 0.720 17742 1579 1 3 . 1 1 38 38 ASP H H 368 7.279 7.279 8.054 -0.775 17742 1580 1 3 . 1 1 39 39 PRO HA H 369 3.794 3.794 4.396 -0.602 17742 1581 1 3 . 1 1 39 39 PRO C C 369 178.037 178.037 178.288 -0.251 17742 1582 1 3 . 1 1 39 39 PRO CA C 369 65.619 65.619 65.712 -0.093 17742 1583 1 3 . 1 1 39 39 PRO CB C 369 31.057 31.057 31.893 -0.836 17742 1584 1 3 . 1 1 40 40 ASN N N 370 115.439 115.439 114.791 0.648 17742 1585 1 3 . 1 1 40 40 ASN HA H 370 4.596 4.596 4.647 -0.051 17742 1586 1 3 . 1 1 40 40 ASN C C 370 178.570 178.570 177.895 0.675 17742 1587 1 3 . 1 1 40 40 ASN CA C 370 56.501 56.501 56.631 -0.130 17742 1588 1 3 . 1 1 40 40 ASN CB C 370 38.012 38.012 37.925 0.088 17742 1589 1 3 . 1 1 40 40 ASN H H 370 8.121 8.121 8.663 -0.542 17742 1590 1 3 . 1 1 41 41 GLY N N 371 111.317 111.317 108.700 2.617 17742 1591 1 3 . 1 1 41 41 GLY C C 371 176.090 176.090 176.582 -0.492 17742 1592 1 3 . 1 1 41 41 GLY CA C 371 47.932 47.932 46.919 1.013 17742 1593 1 3 . 1 1 41 41 GLY H H 371 8.622 8.622 8.324 0.298 17742 1594 1 3 . 1 1 42 42 LEU N N 372 122.892 122.892 123.934 -1.042 17742 1595 1 3 . 1 1 42 42 LEU HA H 372 4.031 4.031 4.299 -0.268 17742 1596 1 3 . 1 1 42 42 LEU C C 372 177.766 177.766 178.858 -1.092 17742 1597 1 3 . 1 1 42 42 LEU CA C 372 57.830 57.830 57.849 -0.019 17742 1598 1 3 . 1 1 42 42 LEU CB C 372 42.132 42.132 41.308 0.824 17742 1599 1 3 . 1 1 42 42 LEU H H 372 8.881 8.881 8.643 0.238 17742 1600 1 3 . 1 1 43 43 ALA N N 373 120.112 120.112 121.516 -1.404 17742 1601 1 3 . 1 1 43 43 ALA HA H 373 4.458 4.458 4.104 0.354 17742 1602 1 3 . 1 1 43 43 ALA C C 373 179.093 179.093 179.950 -0.857 17742 1603 1 3 . 1 1 43 43 ALA CA C 373 55.451 55.451 55.144 0.307 17742 1604 1 3 . 1 1 43 43 ALA CB C 373 18.324 18.324 18.291 0.033 17742 1605 1 3 . 1 1 43 43 ALA H H 373 8.072 8.072 8.653 -0.581 17742 1606 1 3 . 1 1 44 44 ARG N N 374 117.916 117.916 119.415 -1.499 17742 1607 1 3 . 1 1 44 44 ARG HA H 374 4.093 4.093 4.141 -0.048 17742 1608 1 3 . 1 1 44 44 ARG C C 374 179.473 179.473 179.019 0.454 17742 1609 1 3 . 1 1 44 44 ARG CA C 374 59.372 59.372 58.843 0.529 17742 1610 1 3 . 1 1 44 44 ARG CB C 374 30.114 30.114 29.893 0.221 17742 1611 1 3 . 1 1 44 44 ARG H H 374 7.769 7.769 7.895 -0.126 17742 1612 1 3 . 1 1 45 45 LEU N N 375 121.489 121.489 120.322 1.167 17742 1613 1 3 . 1 1 45 45 LEU HA H 375 4.007 4.007 4.075 -0.068 17742 1614 1 3 . 1 1 45 45 LEU C C 375 180.049 180.049 179.194 0.855 17742 1615 1 3 . 1 1 45 45 LEU CA C 375 58.390 58.390 58.326 0.064 17742 1616 1 3 . 1 1 45 45 LEU CB C 375 41.552 41.552 41.770 -0.218 17742 1617 1 3 . 1 1 45 45 LEU H H 375 7.903 7.903 8.474 -0.571 17742 1618 1 3 . 1 1 46 46 TRP N N 376 121.466 121.466 121.048 0.418 17742 1619 1 3 . 1 1 46 46 TRP HA H 376 4.089 4.089 3.707 0.382 17742 1620 1 3 . 1 1 46 46 TRP C C 376 177.939 177.939 178.422 -0.483 17742 1621 1 3 . 1 1 46 46 TRP CA C 376 60.022 60.022 60.660 -0.638 17742 1622 1 3 . 1 1 46 46 TRP CB C 376 28.817 28.817 29.110 -0.293 17742 1623 1 3 . 1 1 46 46 TRP H H 376 8.633 8.633 8.542 0.091 17742 1624 1 3 . 1 1 47 47 GLY N N 377 105.142 105.142 106.587 -1.445 17742 1625 1 3 . 1 1 47 47 GLY C C 377 176.128 176.128 175.662 0.466 17742 1626 1 3 . 1 1 47 47 GLY CA C 377 48.035 48.035 47.016 1.020 17742 1627 1 3 . 1 1 47 47 GLY H H 377 8.828 8.828 8.727 0.101 17742 1628 1 3 . 1 1 48 48 ASN N N 378 120.327 120.327 121.460 -1.133 17742 1629 1 3 . 1 1 48 48 ASN HA H 378 4.402 4.402 4.349 0.053 17742 1630 1 3 . 1 1 48 48 ASN C C 378 178.625 178.625 177.797 0.828 17742 1631 1 3 . 1 1 48 48 ASN CA C 378 56.231 56.231 55.808 0.423 17742 1632 1 3 . 1 1 48 48 ASN CB C 378 38.132 38.132 38.348 -0.216 17742 1633 1 3 . 1 1 48 48 ASN H H 378 8.212 8.212 8.232 -0.020 17742 1634 1 3 . 1 1 49 49 HIS N N 379 121.871 121.871 120.630 1.241 17742 1635 1 3 . 1 1 49 49 HIS HA H 379 4.205 4.205 4.274 -0.069 17742 1636 1 3 . 1 1 49 49 HIS C C 379 176.086 176.086 176.253 -0.167 17742 1637 1 3 . 1 1 49 49 HIS CA C 379 59.390 59.390 58.712 0.678 17742 1638 1 3 . 1 1 49 49 HIS CB C 379 29.564 29.564 29.555 0.009 17742 1639 1 3 . 1 1 49 49 HIS H H 379 8.094 8.094 7.606 0.488 17742 1640 1 3 . 1 1 50 50 LYS N N 380 115.181 115.181 116.098 -0.917 17742 1641 1 3 . 1 1 50 50 LYS HA H 380 3.911 3.911 3.961 -0.050 17742 1642 1 3 . 1 1 50 50 LYS C C 380 175.348 175.348 175.609 -0.261 17742 1643 1 3 . 1 1 50 50 LYS CA C 380 53.632 53.632 55.218 -1.585 17742 1644 1 3 . 1 1 50 50 LYS CB C 380 30.742 30.742 31.542 -0.800 17742 1645 1 3 . 1 1 50 50 LYS H H 380 7.482 7.482 7.270 0.212 17742 1646 1 3 . 1 1 51 51 ASN N N 381 116.362 116.362 115.597 0.765 17742 1647 1 3 . 1 1 51 51 ASN HA H 381 4.259 4.259 4.206 0.053 17742 1648 1 3 . 1 1 51 51 ASN C C 381 174.400 174.400 174.273 0.127 17742 1649 1 3 . 1 1 51 51 ASN CA C 381 54.312 54.312 54.089 0.223 17742 1650 1 3 . 1 1 51 51 ASN CB C 381 37.272 37.272 37.552 -0.280 17742 1651 1 3 . 1 1 51 51 ASN H H 381 7.753 7.753 7.446 0.307 17742 1652 1 3 . 1 1 52 52 ARG N N 382 117.723 117.723 117.362 0.361 17742 1653 1 3 . 1 1 52 52 ARG HA H 382 4.658 4.658 4.672 -0.014 17742 1654 1 3 . 1 1 52 52 ARG C C 382 176.209 176.209 174.785 1.424 17742 1655 1 3 . 1 1 52 52 ARG CA C 382 53.668 53.668 53.761 -0.093 17742 1656 1 3 . 1 1 52 52 ARG CB C 382 32.212 32.212 32.917 -0.705 17742 1657 1 3 . 1 1 52 52 ARG H H 382 8.476 8.476 8.217 0.259 17742 1658 1 3 . 1 1 53 53 THR N N 383 114.109 114.109 114.056 0.053 17742 1659 1 3 . 1 1 53 53 THR HA H 383 4.221 4.221 4.532 -0.311 17742 1660 1 3 . 1 1 53 53 THR C C 383 174.644 174.644 173.582 1.062 17742 1661 1 3 . 1 1 53 53 THR CA C 383 62.187 62.187 60.103 2.084 17742 1662 1 3 . 1 1 53 53 THR CB C 383 69.710 69.710 70.659 -0.949 17742 1663 1 3 . 1 1 53 53 THR H H 383 8.333 8.333 8.065 0.268 17742 1664 1 3 . 1 1 54 54 ASN N N 384 118.768 118.768 117.408 1.360 17742 1665 1 3 . 1 1 54 54 ASN HA H 384 4.609 4.609 4.370 0.239 17742 1666 1 3 . 1 1 54 54 ASN C C 384 174.975 174.975 174.011 0.964 17742 1667 1 3 . 1 1 54 54 ASN CA C 384 53.193 53.193 54.122 -0.929 17742 1668 1 3 . 1 1 54 54 ASN CB C 384 37.632 37.632 37.414 0.218 17742 1669 1 3 . 1 1 54 54 ASN H H 384 8.521 8.521 8.688 -0.167 17742 1670 1 3 . 1 1 55 55 MET N N 385 119.621 119.621 118.255 1.366 17742 1671 1 3 . 1 1 55 55 MET HA H 385 4.566 4.566 4.509 0.057 17742 1672 1 3 . 1 1 55 55 MET C C 385 175.078 175.078 175.893 -0.815 17742 1673 1 3 . 1 1 55 55 MET CA C 385 55.298 55.298 55.559 -0.260 17742 1674 1 3 . 1 1 55 55 MET CB C 385 31.244 31.244 32.835 -1.591 17742 1675 1 3 . 1 1 55 55 MET H H 385 8.162 8.162 7.829 0.333 17742 1676 1 3 . 1 1 56 56 THR N N 386 113.114 113.114 123.025 -9.911 17742 1677 1 3 . 1 1 56 56 THR HA H 386 4.824 4.824 4.819 0.005 17742 1678 1 3 . 1 1 56 56 THR C C 386 175.549 175.549 175.126 0.423 17742 1679 1 3 . 1 1 56 56 THR CA C 386 59.060 59.060 60.807 -1.747 17742 1680 1 3 . 1 1 56 56 THR CB C 386 72.290 72.290 70.818 1.472 17742 1681 1 3 . 1 1 56 56 THR H H 386 7.031 7.031 8.093 -1.062 17742 1682 1 3 . 1 1 57 57 TYR N N 387 123.401 123.401 125.508 -2.107 17742 1683 1 3 . 1 1 57 57 TYR HA H 387 4.134 4.134 4.132 0.002 17742 1684 1 3 . 1 1 57 57 TYR C C 387 177.304 177.304 177.571 -0.267 17742 1685 1 3 . 1 1 57 57 TYR CA C 387 62.300 62.300 63.325 -1.025 17742 1686 1 3 . 1 1 57 57 TYR CB C 387 37.359 37.359 38.600 -1.241 17742 1687 1 3 . 1 1 57 57 TYR H H 387 9.691 9.691 9.209 0.482 17742 1688 1 3 . 1 1 58 58 GLU N N 388 120.999 120.999 117.786 3.213 17742 1689 1 3 . 1 1 58 58 GLU HA H 388 3.823 3.823 4.161 -0.338 17742 1690 1 3 . 1 1 58 58 GLU C C 388 179.213 179.213 179.054 0.159 17742 1691 1 3 . 1 1 58 58 GLU CA C 388 60.477 60.477 60.314 0.163 17742 1692 1 3 . 1 1 58 58 GLU CB C 388 28.895 28.895 28.793 0.102 17742 1693 1 3 . 1 1 58 58 GLU H H 388 8.838 8.838 8.785 0.053 17742 1694 1 3 . 1 1 59 59 LYS N N 389 118.962 118.962 117.177 1.785 17742 1695 1 3 . 1 1 59 59 LYS HA H 389 3.939 3.939 4.059 -0.120 17742 1696 1 3 . 1 1 59 59 LYS C C 389 178.797 178.797 177.983 0.814 17742 1697 1 3 . 1 1 59 59 LYS CA C 389 60.065 60.065 59.225 0.840 17742 1698 1 3 . 1 1 59 59 LYS CB C 389 33.378 33.378 32.272 1.106 17742 1699 1 3 . 1 1 59 59 LYS H H 389 7.506 7.506 8.076 -0.570 17742 1700 1 3 . 1 1 60 60 MET N N 390 120.087 120.087 118.361 1.726 17742 1701 1 3 . 1 1 60 60 MET HA H 390 3.869 3.869 4.346 -0.477 17742 1702 1 3 . 1 1 60 60 MET C C 390 178.146 178.146 177.478 0.668 17742 1703 1 3 . 1 1 60 60 MET CA C 390 59.776 59.776 57.959 1.817 17742 1704 1 3 . 1 1 60 60 MET CB C 390 33.462 33.462 33.632 -0.170 17742 1705 1 3 . 1 1 60 60 MET H H 390 8.051 8.051 7.803 0.248 17742 1706 1 3 . 1 1 61 61 SER N N 391 114.537 114.537 115.677 -1.140 17742 1707 1 3 . 1 1 61 61 SER HA H 391 3.786 3.786 3.911 -0.125 17742 1708 1 3 . 1 1 61 61 SER C C 391 176.380 176.380 176.450 -0.070 17742 1709 1 3 . 1 1 61 61 SER CA C 391 61.600 61.600 61.188 0.412 17742 1710 1 3 . 1 1 61 61 SER CB C 391 62.251 62.251 62.145 0.106 17742 1711 1 3 . 1 1 61 61 SER H H 391 8.853 8.853 8.647 0.206 17742 1712 1 3 . 1 1 62 62 ARG N N 392 122.214 122.214 120.969 1.245 17742 1713 1 3 . 1 1 62 62 ARG HA H 392 3.928 3.928 3.991 -0.063 17742 1714 1 3 . 1 1 62 62 ARG C C 392 178.732 178.732 178.166 0.566 17742 1715 1 3 . 1 1 62 62 ARG CA C 392 59.490 59.490 58.264 1.226 17742 1716 1 3 . 1 1 62 62 ARG CB C 392 30.207 30.207 29.324 0.883 17742 1717 1 3 . 1 1 62 62 ARG H H 392 7.471 7.471 7.579 -0.108 17742 1718 1 3 . 1 1 63 63 ALA N N 393 121.091 121.091 121.146 -0.055 17742 1719 1 3 . 1 1 63 63 ALA HA H 393 4.162 4.162 4.194 -0.032 17742 1720 1 3 . 1 1 63 63 ALA C C 393 179.699 179.699 179.029 0.670 17742 1721 1 3 . 1 1 63 63 ALA CA C 393 54.722 54.722 54.435 0.287 17742 1722 1 3 . 1 1 63 63 ALA CB C 393 18.154 18.154 18.323 -0.169 17742 1723 1 3 . 1 1 63 63 ALA H H 393 7.376 7.376 7.446 -0.070 17742 1724 1 3 . 1 1 64 64 LEU N N 394 117.568 117.568 118.465 -0.897 17742 1725 1 3 . 1 1 64 64 LEU HA H 394 3.777 3.777 3.048 0.729 17742 1726 1 3 . 1 1 64 64 LEU C C 394 178.085 178.085 178.482 -0.397 17742 1727 1 3 . 1 1 64 64 LEU CA C 394 58.075 58.075 56.574 1.501 17742 1728 1 3 . 1 1 64 64 LEU CB C 394 41.052 41.052 41.112 -0.060 17742 1729 1 3 . 1 1 64 64 LEU H H 394 7.853 7.853 6.987 0.866 17742 1730 1 3 . 1 1 65 65 ARG N N 395 116.111 116.111 118.674 -2.563 17742 1731 1 3 . 1 1 65 65 ARG HA H 395 3.529 3.529 4.095 -0.566 17742 1732 1 3 . 1 1 65 65 ARG C C 395 179.519 179.519 178.702 0.817 17742 1733 1 3 . 1 1 65 65 ARG CA C 395 59.133 59.133 58.863 0.270 17742 1734 1 3 . 1 1 65 65 ARG CB C 395 30.004 30.004 29.401 0.603 17742 1735 1 3 . 1 1 65 65 ARG H H 395 7.521 7.521 7.975 -0.454 17742 1736 1 3 . 1 1 66 66 HIS N N 396 118.081 118.081 117.753 0.328 17742 1737 1 3 . 1 1 66 66 HIS HA H 396 4.436 4.436 4.444 -0.008 17742 1738 1 3 . 1 1 66 66 HIS C C 396 177.826 177.826 177.860 -0.034 17742 1739 1 3 . 1 1 66 66 HIS CA C 396 59.063 59.063 60.167 -1.104 17742 1740 1 3 . 1 1 66 66 HIS CB C 396 30.154 30.154 29.954 0.200 17742 1741 1 3 . 1 1 66 66 HIS H H 396 7.241 7.241 7.681 -0.440 17742 1742 1 3 . 1 1 67 67 TYR N N 397 116.301 116.301 119.254 -2.953 17742 1743 1 3 . 1 1 67 67 TYR HA H 397 4.128 4.128 4.235 -0.107 17742 1744 1 3 . 1 1 67 67 TYR C C 397 179.075 179.075 178.132 0.943 17742 1745 1 3 . 1 1 67 67 TYR CA C 397 61.525 61.525 59.722 1.803 17742 1746 1 3 . 1 1 67 67 TYR CB C 397 37.522 37.522 36.671 0.851 17742 1747 1 3 . 1 1 67 67 TYR H H 397 7.532 7.532 7.539 -0.007 17742 1748 1 3 . 1 1 68 68 TYR N N 398 121.389 121.389 117.425 3.964 17742 1749 1 3 . 1 1 68 68 TYR HA H 398 5.474 5.474 4.770 0.704 17742 1750 1 3 . 1 1 68 68 TYR C C 398 172.285 172.285 178.075 -5.790 17742 1751 1 3 . 1 1 68 68 TYR CA C 398 57.651 57.651 59.796 -2.145 17742 1752 1 3 . 1 1 68 68 TYR CB C 398 37.055 37.055 37.738 -0.683 17742 1753 1 3 . 1 1 68 68 TYR H H 398 8.061 8.061 7.595 0.466 17742 1754 1 3 . 1 1 69 69 LYS N N 399 121.098 121.098 118.080 3.018 17742 1755 1 3 . 1 1 69 69 LYS HA H 399 4.125 4.125 4.252 -0.127 17742 1756 1 3 . 1 1 69 69 LYS C C 399 178.122 178.122 177.946 0.176 17742 1757 1 3 . 1 1 69 69 LYS CA C 399 58.801 58.801 57.129 1.672 17742 1758 1 3 . 1 1 69 69 LYS CB C 399 32.242 32.242 32.248 -0.006 17742 1759 1 3 . 1 1 69 69 LYS H H 399 7.799 7.799 7.747 0.052 17742 1760 1 3 . 1 1 70 70 LEU N N 400 116.117 116.117 118.327 -2.210 17742 1761 1 3 . 1 1 70 70 LEU HA H 400 4.312 4.312 4.252 0.060 17742 1762 1 3 . 1 1 70 70 LEU C C 400 175.903 175.903 175.876 0.027 17742 1763 1 3 . 1 1 70 70 LEU CA C 400 54.642 54.642 54.893 -0.251 17742 1764 1 3 . 1 1 70 70 LEU CB C 400 42.796 42.796 41.342 1.454 17742 1765 1 3 . 1 1 70 70 LEU H H 400 7.257 7.257 8.038 -0.781 17742 1766 1 3 . 1 1 71 71 ASN N N 401 115.181 115.181 111.775 3.406 17742 1767 1 3 . 1 1 71 71 ASN HA H 401 4.368 4.368 4.384 -0.016 17742 1768 1 3 . 1 1 71 71 ASN C C 401 173.597 173.597 175.291 -1.694 17742 1769 1 3 . 1 1 71 71 ASN CA C 401 54.622 54.622 53.958 0.664 17742 1770 1 3 . 1 1 71 71 ASN CB C 401 37.252 37.252 36.411 0.841 17742 1771 1 3 . 1 1 71 71 ASN H H 401 8.061 8.061 7.504 0.557 17742 1772 1 3 . 1 1 72 72 ILE N N 402 114.031 114.031 116.350 -2.319 17742 1773 1 3 . 1 1 72 72 ILE HA H 402 4.128 4.128 3.872 0.256 17742 1774 1 3 . 1 1 72 72 ILE C C 402 176.467 176.467 175.702 0.765 17742 1775 1 3 . 1 1 72 72 ILE CA C 402 63.720 63.720 63.996 -0.276 17742 1776 1 3 . 1 1 72 72 ILE CB C 402 40.491 40.491 38.922 1.569 17742 1777 1 3 . 1 1 72 72 ILE H H 402 8.104 8.104 8.047 0.057 17742 1778 1 3 . 1 1 73 73 ILE N N 403 116.973 116.973 116.659 0.314 17742 1779 1 3 . 1 1 73 73 ILE HA H 403 5.014 5.014 5.322 -0.308 17742 1780 1 3 . 1 1 73 73 ILE C C 403 174.039 174.039 174.098 -0.059 17742 1781 1 3 . 1 1 73 73 ILE CA C 403 59.357 59.357 59.297 0.059 17742 1782 1 3 . 1 1 73 73 ILE CB C 403 43.362 43.362 42.002 1.360 17742 1783 1 3 . 1 1 73 73 ILE H H 403 7.099 7.099 7.484 -0.385 17742 1784 1 3 . 1 1 74 74 ARG N N 404 123.639 123.639 124.483 -0.844 17742 1785 1 3 . 1 1 74 74 ARG HA H 404 4.771 4.771 4.974 -0.203 17742 1786 1 3 . 1 1 74 74 ARG C C 404 174.917 174.917 173.965 0.952 17742 1787 1 3 . 1 1 74 74 ARG CA C 404 54.261 54.261 54.380 -0.119 17742 1788 1 3 . 1 1 74 74 ARG CB C 404 34.689 34.689 33.724 0.965 17742 1789 1 3 . 1 1 74 74 ARG H H 404 8.983 8.983 8.445 0.538 17742 1790 1 3 . 1 1 75 75 LYS N N 405 125.665 125.665 121.449 4.216 17742 1791 1 3 . 1 1 75 75 LYS HA H 405 4.071 4.071 4.785 -0.714 17742 1792 1 3 . 1 1 75 75 LYS C C 405 176.525 176.525 176.158 0.367 17742 1793 1 3 . 1 1 75 75 LYS CA C 405 56.470 56.470 55.372 1.098 17742 1794 1 3 . 1 1 75 75 LYS CB C 405 32.649 32.649 33.603 -0.954 17742 1795 1 3 . 1 1 75 75 LYS H H 405 8.263 8.263 8.436 -0.173 17742 1796 1 3 . 1 1 76 76 GLU N N 406 128.072 128.072 124.316 3.756 17742 1797 1 3 . 1 1 76 76 GLU HA H 406 4.432 4.432 4.397 0.035 17742 1798 1 3 . 1 1 76 76 GLU CA C 406 53.747 53.747 54.091 -0.344 17742 1799 1 3 . 1 1 76 76 GLU CB C 406 29.914 29.914 29.268 0.646 17742 1800 1 3 . 1 1 76 76 GLU H H 406 8.024 8.024 8.185 -0.161 17742 1801 1 3 . 1 1 77 77 PRO HA H 407 4.282 4.282 4.249 0.033 17742 1802 1 3 . 1 1 77 77 PRO C C 407 177.719 177.719 177.508 0.211 17742 1803 1 3 . 1 1 77 77 PRO CA C 407 63.407 63.407 63.802 -0.395 17742 1804 1 3 . 1 1 77 77 PRO CB C 407 32.184 32.184 31.317 0.867 17742 1805 1 3 . 1 1 78 78 GLY N N 408 109.716 109.716 112.867 -3.151 17742 1806 1 3 . 1 1 78 78 GLY C C 408 174.053 174.053 173.925 0.128 17742 1807 1 3 . 1 1 78 78 GLY CA C 408 45.519 45.519 45.118 0.401 17742 1808 1 3 . 1 1 78 78 GLY H H 408 8.531 8.531 8.609 -0.078 17742 1809 1 3 . 1 1 79 79 GLN N N 409 116.964 116.964 117.790 -0.826 17742 1810 1 3 . 1 1 79 79 GLN HA H 409 4.488 4.488 4.658 -0.170 17742 1811 1 3 . 1 1 79 79 GLN C C 409 175.390 175.390 176.097 -0.707 17742 1812 1 3 . 1 1 79 79 GLN CA C 409 54.359 54.359 53.945 0.414 17742 1813 1 3 . 1 1 79 79 GLN CB C 409 31.202 31.202 31.022 0.180 17742 1814 1 3 . 1 1 79 79 GLN H H 409 7.559 7.559 7.591 -0.032 17742 1815 1 3 . 1 1 80 80 ARG N N 410 120.457 120.457 121.866 -1.409 17742 1816 1 3 . 1 1 80 80 ARG HA H 410 4.262 4.262 4.242 0.020 17742 1817 1 3 . 1 1 80 80 ARG C C 410 176.270 176.270 177.424 -1.154 17742 1818 1 3 . 1 1 80 80 ARG CA C 410 56.821 56.821 57.638 -0.817 17742 1819 1 3 . 1 1 80 80 ARG CB C 410 31.502 31.502 29.706 1.796 17742 1820 1 3 . 1 1 80 80 ARG H H 410 8.251 8.251 8.610 -0.359 17742 1821 1 3 . 1 1 81 81 LEU N N 411 119.348 119.348 120.561 -1.213 17742 1822 1 3 . 1 1 81 81 LEU HA H 411 4.023 4.023 4.437 -0.414 17742 1823 1 3 . 1 1 81 81 LEU C C 411 173.279 173.279 175.248 -1.969 17742 1824 1 3 . 1 1 81 81 LEU CA C 411 55.030 55.030 53.676 1.354 17742 1825 1 3 . 1 1 81 81 LEU CB C 411 40.335 40.335 41.024 -0.689 17742 1826 1 3 . 1 1 81 81 LEU H H 411 8.435 8.435 8.216 0.219 17742 1827 1 3 . 1 1 82 82 LEU N N 412 119.070 119.070 121.638 -2.568 17742 1828 1 3 . 1 1 82 82 LEU HA H 412 5.013 5.013 4.307 0.706 17742 1829 1 3 . 1 1 82 82 LEU C C 412 175.361 175.361 175.996 -0.635 17742 1830 1 3 . 1 1 82 82 LEU CA C 412 53.212 53.212 54.257 -1.045 17742 1831 1 3 . 1 1 82 82 LEU CB C 412 45.471 45.471 41.264 4.207 17742 1832 1 3 . 1 1 82 82 LEU H H 412 6.751 6.751 7.419 -0.668 17742 1833 1 3 . 1 1 83 83 PHE N N 413 122.184 122.184 124.489 -2.305 17742 1834 1 3 . 1 1 83 83 PHE HA H 413 4.865 4.865 5.464 -0.599 17742 1835 1 3 . 1 1 83 83 PHE C C 413 172.849 172.849 174.558 -1.709 17742 1836 1 3 . 1 1 83 83 PHE CA C 413 55.921 55.921 54.372 1.549 17742 1837 1 3 . 1 1 83 83 PHE CB C 413 44.569 44.569 42.692 1.877 17742 1838 1 3 . 1 1 83 83 PHE H H 413 8.661 8.661 8.926 -0.265 17742 1839 1 3 . 1 1 84 84 ARG N N 414 119.461 119.461 119.849 -0.388 17742 1840 1 3 . 1 1 84 84 ARG HA H 414 5.581 5.581 5.382 0.199 17742 1841 1 3 . 1 1 84 84 ARG C C 414 177.641 177.641 174.855 2.786 17742 1842 1 3 . 1 1 84 84 ARG CA C 414 54.239 54.239 54.969 -0.730 17742 1843 1 3 . 1 1 84 84 ARG CB C 414 36.198 36.198 34.316 1.881 17742 1844 1 3 . 1 1 84 84 ARG H H 414 9.098 9.098 9.166 -0.068 17742 1845 1 3 . 1 1 85 85 PHE N N 415 124.274 124.274 127.516 -3.242 17742 1846 1 3 . 1 1 85 85 PHE HA H 415 5.027 5.027 5.033 -0.006 17742 1847 1 3 . 1 1 85 85 PHE C C 415 176.117 176.117 176.063 0.054 17742 1848 1 3 . 1 1 85 85 PHE CA C 415 59.657 59.657 59.372 0.285 17742 1849 1 3 . 1 1 85 85 PHE CB C 415 40.819 40.819 38.254 2.565 17742 1850 1 3 . 1 1 85 85 PHE H H 415 8.928 8.928 9.388 -0.460 17742 1851 1 3 . 1 1 86 86 MET N N 416 121.081 121.081 123.270 -2.189 17742 1852 1 3 . 1 1 86 86 MET HA H 416 4.656 4.656 4.328 0.328 17742 1853 1 3 . 1 1 86 86 MET C C 416 176.444 176.444 176.641 -0.197 17742 1854 1 3 . 1 1 86 86 MET CA C 416 54.681 54.681 57.943 -3.262 17742 1855 1 3 . 1 1 86 86 MET CB C 416 31.698 31.698 33.139 -1.442 17742 1856 1 3 . 1 1 86 86 MET H H 416 8.676 8.676 8.642 0.034 17742 1857 1 3 . 1 1 87 87 LYS N N 417 117.772 117.772 115.375 2.397 17742 1858 1 3 . 1 1 87 87 LYS HA H 417 4.899 4.899 4.767 0.132 17742 1859 1 3 . 1 1 87 87 LYS C C 417 175.621 175.621 175.302 0.319 17742 1860 1 3 . 1 1 87 87 LYS CA C 417 54.522 54.522 54.527 -0.005 17742 1861 1 3 . 1 1 87 87 LYS CB C 417 37.905 37.905 35.737 2.168 17742 1862 1 3 . 1 1 87 87 LYS H H 417 7.624 7.624 7.456 0.168 17742 1863 1 3 . 1 1 88 88 THR N N 418 112.426 112.426 112.098 0.328 17742 1864 1 3 . 1 1 88 88 THR HA H 418 4.372 4.372 4.447 -0.075 17742 1865 1 3 . 1 1 88 88 THR CA C 418 59.786 59.786 58.802 0.984 17742 1866 1 3 . 1 1 88 88 THR CB C 418 68.040 68.040 68.336 -0.296 17742 1867 1 3 . 1 1 88 88 THR H H 418 8.787 8.787 9.222 -0.435 17742 1868 1 3 . 1 1 89 89 PRO HA H 419 3.654 3.654 3.084 0.570 17742 1869 1 3 . 1 1 89 89 PRO C C 419 177.412 177.412 178.423 -1.011 17742 1870 1 3 . 1 1 89 89 PRO CA C 419 65.712 65.712 66.595 -0.883 17742 1871 1 3 . 1 1 89 89 PRO CB C 419 31.762 31.762 31.661 0.101 17742 1872 1 3 . 1 1 90 90 ASP N N 420 114.221 114.221 113.973 0.248 17742 1873 1 3 . 1 1 90 90 ASP HA H 420 4.224 4.224 4.279 -0.055 17742 1874 1 3 . 1 1 90 90 ASP C C 420 178.341 178.341 176.803 1.538 17742 1875 1 3 . 1 1 90 90 ASP CA C 420 56.657 56.657 56.429 0.228 17742 1876 1 3 . 1 1 90 90 ASP CB C 420 40.642 40.642 40.681 -0.039 17742 1877 1 3 . 1 1 90 90 ASP H H 420 7.958 7.958 8.360 -0.402 17742 1878 1 3 . 1 1 91 91 GLU N N 421 119.443 119.443 117.034 2.409 17742 1879 1 3 . 1 1 91 91 GLU HA H 421 4.006 4.006 4.044 -0.038 17742 1880 1 3 . 1 1 91 91 GLU C C 421 179.238 179.238 178.697 0.541 17742 1881 1 3 . 1 1 91 91 GLU CA C 421 58.458 58.458 58.407 0.050 17742 1882 1 3 . 1 1 91 91 GLU CB C 421 30.774 30.774 29.922 0.852 17742 1883 1 3 . 1 1 91 91 GLU H H 421 7.628 7.628 7.511 0.117 17742 1884 1 3 . 1 1 92 92 ILE N N 422 120.617 120.617 120.566 0.051 17742 1885 1 3 . 1 1 92 92 ILE HA H 422 3.589 3.589 3.523 0.066 17742 1886 1 3 . 1 1 92 92 ILE C C 422 178.124 178.124 177.267 0.857 17742 1887 1 3 . 1 1 92 92 ILE CA C 422 63.878 63.878 64.887 -1.009 17742 1888 1 3 . 1 1 92 92 ILE CB C 422 38.142 38.142 37.535 0.607 17742 1889 1 3 . 1 1 92 92 ILE H H 422 7.896 7.896 7.618 0.278 17742 1890 1 3 . 1 1 93 93 MET N N 423 117.857 117.857 115.305 2.552 17742 1891 1 3 . 1 1 93 93 MET HA H 423 4.365 4.365 4.230 0.135 17742 1892 1 3 . 1 1 93 93 MET C C 423 177.009 177.009 176.893 0.116 17742 1893 1 3 . 1 1 93 93 MET CA C 423 56.527 56.527 57.418 -0.891 17742 1894 1 3 . 1 1 93 93 MET CB C 423 32.617 32.617 32.175 0.442 17742 1895 1 3 . 1 1 93 93 MET H H 423 8.161 8.161 8.199 -0.038 17742 1896 1 3 . 1 1 94 94 SER N N 424 114.591 114.591 113.389 1.202 17742 1897 1 3 . 1 1 94 94 SER HA H 424 4.406 4.406 4.341 0.065 17742 1898 1 3 . 1 1 94 94 SER C C 424 175.262 175.262 174.821 0.441 17742 1899 1 3 . 1 1 94 94 SER CA C 424 59.482 59.482 58.243 1.239 17742 1900 1 3 . 1 1 94 94 SER CB C 424 63.466 63.466 62.795 0.671 17742 1901 1 3 . 1 1 94 94 SER H H 424 7.744 7.744 7.507 0.237 17742 1902 1 3 . 1 1 95 95 GLY N N 425 109.590 109.590 108.639 0.951 17742 1903 1 3 . 1 1 95 95 GLY C C 425 174.197 174.197 175.984 -1.787 17742 1904 1 3 . 1 1 95 95 GLY CA C 425 45.122 45.122 45.284 -0.162 17742 1905 1 3 . 1 1 95 95 GLY H H 425 7.970 7.970 7.603 0.367 17742 1906 1 3 . 1 1 96 96 ARG N N 426 119.792 119.792 122.401 -2.609 17742 1907 1 3 . 1 1 96 96 ARG HA H 426 4.567 4.567 4.318 0.249 17742 1908 1 3 . 1 1 96 96 ARG C C 426 177.866 177.866 177.925 -0.059 17742 1909 1 3 . 1 1 96 96 ARG CA C 426 55.757 55.757 57.497 -1.740 17742 1910 1 3 . 1 1 96 96 ARG CB C 426 30.059 30.059 29.727 0.332 17742 1911 1 3 . 1 1 96 96 ARG H H 426 8.144 8.144 7.951 0.193 17742 1912 1 3 . 1 1 97 97 THR N N 427 114.770 114.770 111.994 2.776 17742 1913 1 3 . 1 1 97 97 THR HA H 427 4.221 4.221 4.312 -0.091 17742 1914 1 3 . 1 1 97 97 THR C C 427 175.449 175.449 175.413 0.036 17742 1915 1 3 . 1 1 97 97 THR CA C 427 63.411 63.411 65.361 -1.950 17742 1916 1 3 . 1 1 97 97 THR CB C 427 69.080 69.080 68.290 0.790 17742 1917 1 3 . 1 1 97 97 THR H H 427 8.427 8.427 7.714 0.713 17742 1918 1 3 . 1 1 98 98 ASP N N 428 122.017 122.017 123.077 -1.060 17742 1919 1 3 . 1 1 98 98 ASP HA H 428 4.404 4.404 4.361 0.043 17742 1920 1 3 . 1 1 98 98 ASP C C 428 178.042 178.042 178.361 -0.319 17742 1921 1 3 . 1 1 98 98 ASP CA C 428 56.438 56.438 59.078 -2.640 17742 1922 1 3 . 1 1 98 98 ASP CB C 428 40.012 40.012 40.688 -0.676 17742 1923 1 3 . 1 1 98 98 ASP H H 428 8.659 8.659 7.762 0.897 17742 1924 1 3 . 1 1 99 99 ARG N N 429 120.083 120.083 118.925 1.158 17742 1925 1 3 . 1 1 99 99 ARG HA H 429 4.190 4.190 4.106 0.084 17742 1926 1 3 . 1 1 99 99 ARG C C 429 178.236 178.236 178.213 0.023 17742 1927 1 3 . 1 1 99 99 ARG CA C 429 58.307 58.307 58.892 -0.585 17742 1928 1 3 . 1 1 99 99 ARG CB C 429 30.073 30.073 30.113 -0.040 17742 1929 1 3 . 1 1 99 99 ARG H H 429 8.011 8.011 8.182 -0.172 17742 1930 1 3 . 1 1 100 100 LEU N N 430 119.784 119.784 120.246 -0.462 17742 1931 1 3 . 1 1 100 100 LEU HA H 430 4.048 4.048 4.061 -0.014 17742 1932 1 3 . 1 1 100 100 LEU C C 430 178.209 178.209 178.864 -0.655 17742 1933 1 3 . 1 1 100 100 LEU CA C 430 57.535 57.535 57.878 -0.343 17742 1934 1 3 . 1 1 100 100 LEU CB C 430 42.218 42.218 41.883 0.335 17742 1935 1 3 . 1 1 100 100 LEU H H 430 7.667 7.667 7.621 0.046 17742 1936 1 3 . 1 1 101 101 GLU N N 431 119.434 119.434 117.815 1.619 17742 1937 1 3 . 1 1 101 101 GLU HA H 431 3.962 3.962 3.972 -0.010 17742 1938 1 3 . 1 1 101 101 GLU C C 431 178.773 178.773 178.514 0.259 17742 1939 1 3 . 1 1 101 101 GLU CA C 431 59.470 59.470 59.648 -0.178 17742 1940 1 3 . 1 1 101 101 GLU CB C 431 29.667 29.667 29.521 0.145 17742 1941 1 3 . 1 1 101 101 GLU H H 431 8.339 8.339 8.925 -0.586 17742 1942 1 3 . 1 1 102 102 HIS N N 432 118.026 118.026 118.085 -0.059 17742 1943 1 3 . 1 1 102 102 HIS HA H 432 4.463 4.463 4.431 0.032 17742 1944 1 3 . 1 1 102 102 HIS C C 432 177.322 177.322 177.241 0.081 17742 1945 1 3 . 1 1 102 102 HIS CA C 432 58.432 58.432 58.283 0.149 17742 1946 1 3 . 1 1 102 102 HIS CB C 432 29.237 29.237 30.697 -1.460 17742 1947 1 3 . 1 1 102 102 HIS H H 432 7.995 7.995 7.556 0.439 17742 1948 1 3 . 1 1 103 103 LEU N N 433 120.785 120.785 121.629 -0.844 17742 1949 1 3 . 1 1 103 103 LEU HA H 433 3.971 3.971 4.202 -0.231 17742 1950 1 3 . 1 1 103 103 LEU C C 433 179.014 179.014 178.639 0.375 17742 1951 1 3 . 1 1 103 103 LEU CA C 433 57.570 57.570 57.312 0.258 17742 1952 1 3 . 1 1 103 103 LEU CB C 433 41.606 41.606 41.604 0.002 17742 1953 1 3 . 1 1 103 103 LEU H H 433 8.077 8.077 8.415 -0.338 17742 1954 1 3 . 1 1 104 104 GLU N N 434 119.107 119.107 118.254 0.853 17742 1955 1 3 . 1 1 104 104 GLU HA H 434 4.025 4.025 4.078 -0.053 17742 1956 1 3 . 1 1 104 104 GLU C C 434 178.187 178.187 178.928 -0.741 17742 1957 1 3 . 1 1 104 104 GLU CA C 434 60.221 60.221 59.663 0.558 17742 1958 1 3 . 1 1 104 104 GLU CB C 434 30.104 30.104 29.459 0.645 17742 1959 1 3 . 1 1 104 104 GLU H H 434 8.443 8.443 8.821 -0.378 17742 1960 1 3 . 1 1 105 105 SER N N 435 114.129 114.129 114.090 0.039 17742 1961 1 3 . 1 1 105 105 SER HA H 435 4.204 4.204 4.287 -0.083 17742 1962 1 3 . 1 1 105 105 SER C C 435 175.924 175.924 175.677 0.247 17742 1963 1 3 . 1 1 105 105 SER CA C 435 61.303 61.303 61.292 0.011 17742 1964 1 3 . 1 1 105 105 SER CB C 435 63.070 63.070 63.113 -0.043 17742 1965 1 3 . 1 1 105 105 SER H H 435 8.041 8.041 7.952 0.089 17742 1966 1 3 . 1 1 106 106 GLN N N 436 120.201 120.201 119.620 0.581 17742 1967 1 3 . 1 1 106 106 GLN HA H 436 4.124 4.124 4.283 -0.159 17742 1968 1 3 . 1 1 106 106 GLN C C 436 178.242 178.242 178.990 -0.748 17742 1969 1 3 . 1 1 106 106 GLN CA C 436 58.242 58.242 57.898 0.344 17742 1970 1 3 . 1 1 106 106 GLN CB C 436 29.001 29.001 29.343 -0.342 17742 1971 1 3 . 1 1 106 106 GLN H H 436 7.823 7.823 7.719 0.104 17742 1972 1 3 . 1 1 107 107 VAL N N 437 117.503 117.503 120.533 -3.030 17742 1973 1 3 . 1 1 107 107 VAL HA H 437 3.955 3.955 4.075 -0.120 17742 1974 1 3 . 1 1 107 107 VAL C C 437 177.462 177.462 176.616 0.846 17742 1975 1 3 . 1 1 107 107 VAL CA C 437 64.414 64.414 65.410 -0.996 17742 1976 1 3 . 1 1 107 107 VAL CB C 437 32.192 32.192 31.954 0.238 17742 1977 1 3 . 1 1 107 107 VAL H H 437 7.711 7.711 8.663 -0.952 17742 1978 1 3 . 1 1 108 108 LEU HA H 438 4.072 4.072 4.186 -0.114 17742 1979 1 3 . 1 1 108 108 LEU C C 438 177.614 177.614 177.013 0.601 17742 1980 1 3 . 1 1 108 108 LEU CA C 438 56.521 56.521 55.926 0.595 17742 1981 1 3 . 1 1 108 108 LEU CB C 438 42.149 42.149 41.478 0.671 17742 1982 1 3 . 1 1 109 109 ASP N N 439 118.500 118.500 116.190 2.310 17742 1983 1 3 . 1 1 109 109 ASP HA H 439 4.685 4.685 4.772 -0.087 17742 1984 1 3 . 1 1 109 109 ASP C C 439 176.372 176.372 176.971 -0.599 17742 1985 1 3 . 1 1 109 109 ASP CA C 439 54.653 54.653 53.749 0.904 17742 1986 1 3 . 1 1 109 109 ASP CB C 439 41.425 41.425 42.272 -0.847 17742 1987 1 3 . 1 1 109 109 ASP H H 439 7.872 7.872 7.968 -0.096 17742 1988 1 3 . 1 1 110 110 GLU N N 440 120.701 120.701 118.981 1.720 17742 1989 1 3 . 1 1 110 110 GLU HA H 440 4.188 4.188 4.112 0.076 17742 1990 1 3 . 1 1 110 110 GLU C C 440 176.739 176.739 177.471 -0.732 17742 1991 1 3 . 1 1 110 110 GLU CA C 440 57.310 57.310 58.651 -1.341 17742 1992 1 3 . 1 1 110 110 GLU CB C 440 30.091 30.091 30.067 0.024 17742 1993 1 3 . 1 1 110 110 GLU H H 440 7.929 7.929 8.191 -0.262 17742 1994 1 3 . 1 1 111 111 GLN N N 441 120.829 120.829 117.299 3.530 17742 1995 1 3 . 1 1 111 111 GLN HA H 441 4.341 4.341 4.476 -0.135 17742 1996 1 3 . 1 1 111 111 GLN C C 441 176.214 176.214 175.986 0.228 17742 1997 1 3 . 1 1 111 111 GLN CA C 441 56.103 56.103 54.788 1.315 17742 1998 1 3 . 1 1 111 111 GLN CB C 441 29.607 29.607 29.791 -0.184 17742 1999 1 3 . 1 1 111 111 GLN H H 441 8.434 8.434 7.960 0.474 17742 2000 1 3 . 1 1 112 112 THR N N 442 114.861 114.861 113.580 1.281 17742 2001 1 3 . 1 1 112 112 THR HA H 442 4.258 4.258 4.265 -0.007 17742 2002 1 3 . 1 1 112 112 THR C C 442 174.095 174.095 176.090 -1.995 17742 2003 1 3 . 1 1 112 112 THR CA C 442 62.140 62.140 61.680 0.460 17742 2004 1 3 . 1 1 112 112 THR CB C 442 69.870 69.870 69.418 0.452 17742 2005 1 3 . 1 1 112 112 THR H H 442 8.038 8.038 8.328 -0.290 17742 2006 1 3 . 1 1 113 113 TYR N N 443 122.709 122.709 119.543 3.166 17742 2007 1 3 . 1 1 113 113 TYR HA H 443 4.552 4.552 4.381 0.171 17742 2008 1 3 . 1 1 113 113 TYR C C 443 175.303 175.303 174.542 0.761 17742 2009 1 3 . 1 1 113 113 TYR CA C 443 57.921 57.921 56.846 1.075 17742 2010 1 3 . 1 1 113 113 TYR CB C 443 38.982 38.982 35.601 3.381 17742 2011 1 3 . 1 1 113 113 TYR H H 443 8.171 8.171 8.274 -0.103 17742 2012 1 3 . 1 1 114 114 GLN N N 444 122.768 122.768 115.655 7.113 17742 2013 1 3 . 1 1 114 114 GLN HA H 444 4.284 4.284 3.765 0.519 17742 2014 1 3 . 1 1 114 114 GLN C C 444 175.372 175.372 174.646 0.726 17742 2015 1 3 . 1 1 114 114 GLN CA C 444 55.543 55.543 56.618 -1.075 17742 2016 1 3 . 1 1 114 114 GLN CB C 444 29.894 29.894 27.125 2.769 17742 2017 1 3 . 1 1 114 114 GLN H H 444 8.202 8.202 8.311 -0.109 17742 2018 1 3 . 1 1 115 115 GLU N N 445 122.370 122.370 118.833 3.537 17742 2019 1 3 . 1 1 115 115 GLU HA H 445 4.225 4.225 3.704 0.521 17742 2020 1 3 . 1 1 115 115 GLU C C 445 176.058 176.058 177.133 -1.075 17742 2021 1 3 . 1 1 115 115 GLU CA C 445 56.612 56.612 56.338 0.274 17742 2022 1 3 . 1 1 115 115 GLU CB C 445 30.517 30.517 29.232 1.285 17742 2023 1 3 . 1 1 115 115 GLU H H 445 8.371 8.371 7.548 0.823 17742 2024 1 3 . 1 1 116 116 ASP N N 446 121.090 121.090 127.022 -5.932 17742 2025 1 3 . 1 1 116 116 ASP HA H 446 4.595 4.595 4.373 0.222 17742 2026 1 3 . 1 1 116 116 ASP C C 446 175.872 175.872 175.897 -0.025 17742 2027 1 3 . 1 1 116 116 ASP CA C 446 54.382 54.382 56.221 -1.839 17742 2028 1 3 . 1 1 116 116 ASP CB C 446 41.402 41.402 41.297 0.105 17742 2029 1 3 . 1 1 116 116 ASP H H 446 8.336 8.336 8.737 -0.401 17742 2030 1 3 . 1 1 117 117 GLU N N 447 121.977 121.977 118.857 3.120 17742 2031 1 3 . 1 1 117 117 GLU HA H 447 4.575 4.575 4.664 -0.089 17742 2032 1 3 . 1 1 117 117 GLU CA C 447 54.442 54.442 53.112 1.329 17742 2033 1 3 . 1 1 117 117 GLU CB C 447 30.254 30.254 30.739 -0.485 17742 2034 1 3 . 1 1 117 117 GLU H H 447 8.194 8.194 7.843 0.351 17742 2035 1 3 . 1 1 118 118 PRO HA H 448 4.461 4.461 4.670 -0.209 17742 2036 1 3 . 1 1 118 118 PRO C C 448 177.160 177.160 176.290 0.870 17742 2037 1 3 . 1 1 118 118 PRO CA C 448 63.371 63.371 63.281 0.090 17742 2038 1 3 . 1 1 118 118 PRO CB C 448 32.302 32.302 31.850 0.452 17742 2039 1 3 . 1 1 119 119 THR N N 449 114.788 114.788 118.910 -4.122 17742 2040 1 3 . 1 1 119 119 THR HA H 449 4.292 4.292 4.705 -0.413 17742 2041 1 3 . 1 1 119 119 THR C C 449 174.664 174.664 173.072 1.592 17742 2042 1 3 . 1 1 119 119 THR CA C 449 62.117 62.117 59.950 2.167 17742 2043 1 3 . 1 1 119 119 THR CB C 449 69.861 69.861 70.249 -0.388 17742 2044 1 3 . 1 1 119 119 THR H H 449 8.235 8.235 9.112 -0.877 17742 2045 1 3 . 1 1 120 120 ILE N N 450 123.074 123.074 122.226 0.848 17742 2046 1 3 . 1 1 120 120 ILE HA H 450 4.169 4.169 4.525 -0.356 17742 2047 1 3 . 1 1 120 120 ILE C C 450 175.683 175.683 175.937 -0.254 17742 2048 1 3 . 1 1 120 120 ILE CA C 450 60.987 60.987 60.680 0.307 17742 2049 1 3 . 1 1 120 120 ILE CB C 450 38.983 38.983 37.921 1.062 17742 2050 1 3 . 1 1 120 120 ILE H H 450 8.043 8.043 8.529 -0.486 17742 2051 1 3 . 1 1 121 121 ALA N N 451 128.011 128.011 131.790 -3.779 17742 2052 1 3 . 1 1 121 121 ALA HA H 451 4.332 4.332 4.293 0.039 17742 2053 1 3 . 1 1 121 121 ALA C C 451 177.333 177.333 176.803 0.530 17742 2054 1 3 . 1 1 121 121 ALA CA C 451 52.364 52.364 53.240 -0.876 17742 2055 1 3 . 1 1 121 121 ALA CB C 451 19.534 19.534 19.604 -0.070 17742 2056 1 3 . 1 1 121 121 ALA H H 451 8.277 8.277 8.771 -0.494 17742 2057 1 3 . 1 1 122 122 SER N N 452 116.575 116.575 110.590 5.985 17742 2058 1 3 . 1 1 122 122 SER HA H 452 4.672 4.672 4.580 0.092 17742 2059 1 3 . 1 1 122 122 SER CA C 452 56.230 56.230 55.692 0.538 17742 2060 1 3 . 1 1 122 122 SER CB C 452 63.460 63.460 63.270 0.190 17742 2061 1 3 . 1 1 122 122 SER H H 452 8.161 8.161 7.460 0.701 17742 2062 1 3 . 1 1 123 123 PRO HA H 453 4.395 4.395 4.358 0.037 17742 2063 1 3 . 1 1 123 123 PRO C C 453 176.993 176.993 175.846 1.147 17742 2064 1 3 . 1 1 123 123 PRO CA C 453 63.303 63.303 63.532 -0.229 17742 2065 1 3 . 1 1 123 123 PRO CB C 453 32.149 32.149 30.914 1.235 17742 2066 1 3 . 1 1 124 124 VAL N N 454 119.733 119.733 124.696 -4.963 17742 2067 1 3 . 1 1 124 124 VAL HA H 454 4.010 4.010 4.036 -0.026 17742 2068 1 3 . 1 1 124 124 VAL CA C 454 62.674 62.674 61.798 0.876 17742 2069 1 3 . 1 1 124 124 VAL CB C 454 32.669 32.669 34.215 -1.546 17742 2070 1 3 . 1 1 124 124 VAL H H 454 8.058 8.058 7.789 0.269 17742 2071 1 3 . 1 1 125 125 GLY N N 455 111.901 111.901 115.227 -3.326 17742 2072 1 3 . 1 1 125 125 GLY CA C 455 45.152 45.152 44.585 0.567 17742 2073 1 3 . 1 1 125 125 GLY H H 455 8.255 8.255 8.183 0.072 17742 2074 1 3 . 1 1 126 126 TRP N N 456 122.405 122.405 125.352 -2.947 17742 2075 1 3 . 1 1 126 126 TRP HA H 456 4.929 4.929 4.692 0.237 17742 2076 1 3 . 1 1 126 126 TRP CA C 456 55.029 55.029 54.588 0.441 17742 2077 1 3 . 1 1 126 126 TRP CB C 456 29.383 29.383 29.608 -0.225 17742 2078 1 3 . 1 1 126 126 TRP H H 456 7.906 7.906 7.540 0.366 17742 2079 1 3 . 1 1 127 127 PRO HA H 457 4.429 4.429 4.553 -0.124 17742 2080 1 3 . 1 1 127 127 PRO C C 457 175.951 175.951 176.202 -0.251 17742 2081 1 3 . 1 1 127 127 PRO CA C 457 63.558 63.558 62.842 0.716 17742 2082 1 3 . 1 1 127 127 PRO CB C 457 31.932 31.932 30.757 1.175 17742 2083 1 4 . 1 1 5 5 ARG N N 335 123.607 123.607 121.891 1.716 17742 2084 1 4 . 1 1 5 5 ARG HA H 335 4.382 4.382 4.485 -0.103 17742 2085 1 4 . 1 1 5 5 ARG CA C 335 56.926 56.926 56.044 0.882 17742 2086 1 4 . 1 1 5 5 ARG H H 335 9.161 9.161 8.626 0.536 17742 2087 1 4 . 1 1 6 6 LEU N N 336 122.412 122.412 119.848 2.564 17742 2088 1 4 . 1 1 6 6 LEU CB C 336 42.172 42.172 42.173 -0.001 17742 2089 1 4 . 1 1 6 6 LEU H H 336 8.775 8.775 7.468 1.307 17742 2090 1 4 . 1 1 7 7 LEU HA H 337 3.669 3.669 4.297 -0.628 17742 2091 1 4 . 1 1 7 7 LEU CA C 337 59.053 59.053 58.883 0.171 17742 2092 1 4 . 1 1 7 7 LEU CB C 337 40.447 40.447 42.035 -1.587 17742 2093 1 4 . 1 1 8 8 TRP N N 338 114.197 114.197 115.703 -1.506 17742 2094 1 4 . 1 1 8 8 TRP HA H 338 3.747 3.747 4.623 -0.876 17742 2095 1 4 . 1 1 8 8 TRP CA C 338 60.071 60.071 59.170 0.901 17742 2096 1 4 . 1 1 8 8 TRP CB C 338 28.481 28.481 28.452 0.029 17742 2097 1 4 . 1 1 8 8 TRP H H 338 7.595 7.595 7.667 -0.072 17742 2098 1 4 . 1 1 9 9 ASP HA H 339 3.648 3.648 4.574 -0.926 17742 2099 1 4 . 1 1 9 9 ASP C C 339 177.491 177.491 177.688 -0.197 17742 2100 1 4 . 1 1 9 9 ASP CA C 339 56.197 56.197 56.938 -0.741 17742 2101 1 4 . 1 1 9 9 ASP CB C 339 41.702 41.702 40.553 1.149 17742 2102 1 4 . 1 1 10 10 TYR N N 340 120.786 120.786 121.001 -0.215 17742 2103 1 4 . 1 1 10 10 TYR HA H 340 3.851 3.851 3.990 -0.139 17742 2104 1 4 . 1 1 10 10 TYR C C 340 177.016 177.016 177.658 -0.642 17742 2105 1 4 . 1 1 10 10 TYR CA C 340 61.921 61.921 61.609 0.312 17742 2106 1 4 . 1 1 10 10 TYR CB C 340 39.202 39.202 38.669 0.533 17742 2107 1 4 . 1 1 10 10 TYR H H 340 7.929 7.929 8.102 -0.173 17742 2108 1 4 . 1 1 11 11 VAL N N 341 114.828 114.828 118.429 -3.601 17742 2109 1 4 . 1 1 11 11 VAL HA H 341 2.982 2.982 3.510 -0.528 17742 2110 1 4 . 1 1 11 11 VAL C C 341 176.795 176.795 176.997 -0.202 17742 2111 1 4 . 1 1 11 11 VAL CA C 341 66.855 66.855 65.990 0.865 17742 2112 1 4 . 1 1 11 11 VAL CB C 341 31.152 31.152 31.927 -0.775 17742 2113 1 4 . 1 1 11 11 VAL H H 341 8.291 8.291 8.638 -0.347 17742 2114 1 4 . 1 1 12 12 TYR N N 342 119.177 119.177 119.836 -0.659 17742 2115 1 4 . 1 1 12 12 TYR HA H 342 3.617 3.617 3.876 -0.259 17742 2116 1 4 . 1 1 12 12 TYR C C 342 178.765 178.765 177.519 1.246 17742 2117 1 4 . 1 1 12 12 TYR CA C 342 62.960 62.960 61.194 1.766 17742 2118 1 4 . 1 1 12 12 TYR CB C 342 38.232 38.232 38.151 0.081 17742 2119 1 4 . 1 1 12 12 TYR H H 342 7.712 7.712 7.574 0.138 17742 2120 1 4 . 1 1 13 13 GLN N N 343 118.873 118.873 117.928 0.945 17742 2121 1 4 . 1 1 13 13 GLN HA H 343 3.833 3.833 3.929 -0.096 17742 2122 1 4 . 1 1 13 13 GLN C C 343 179.917 179.917 178.533 1.384 17742 2123 1 4 . 1 1 13 13 GLN CA C 343 58.821 58.821 58.247 0.574 17742 2124 1 4 . 1 1 13 13 GLN CB C 343 27.649 27.649 28.161 -0.512 17742 2125 1 4 . 1 1 13 13 GLN H H 343 8.076 8.076 8.112 -0.036 17742 2126 1 4 . 1 1 14 14 LEU N N 344 121.381 121.381 119.153 2.228 17742 2127 1 4 . 1 1 14 14 LEU HA H 344 3.611 3.611 3.823 -0.212 17742 2128 1 4 . 1 1 14 14 LEU C C 344 179.861 179.861 179.460 0.401 17742 2129 1 4 . 1 1 14 14 LEU CA C 344 58.121 58.121 56.949 1.172 17742 2130 1 4 . 1 1 14 14 LEU CB C 344 41.382 41.382 41.109 0.273 17742 2131 1 4 . 1 1 14 14 LEU H H 344 7.772 7.772 7.202 0.570 17742 2132 1 4 . 1 1 15 15 LEU N N 345 116.801 116.801 117.467 -0.666 17742 2133 1 4 . 1 1 15 15 LEU HA H 345 3.513 3.513 3.885 -0.372 17742 2134 1 4 . 1 1 15 15 LEU C C 345 178.221 178.221 177.681 0.540 17742 2135 1 4 . 1 1 15 15 LEU CA C 345 56.568 56.568 57.213 -0.645 17742 2136 1 4 . 1 1 15 15 LEU CB C 345 41.431 41.431 41.302 0.129 17742 2137 1 4 . 1 1 15 15 LEU H H 345 7.546 7.546 7.375 0.171 17742 2138 1 4 . 1 1 16 16 SER N N 346 112.511 112.511 109.163 3.348 17742 2139 1 4 . 1 1 16 16 SER HA H 346 4.542 4.542 4.593 -0.051 17742 2140 1 4 . 1 1 16 16 SER C C 346 172.510 172.510 174.011 -1.501 17742 2141 1 4 . 1 1 16 16 SER CA C 346 58.891 58.891 57.803 1.088 17742 2142 1 4 . 1 1 16 16 SER CB C 346 63.993 63.993 62.860 1.133 17742 2143 1 4 . 1 1 16 16 SER H H 346 7.277 7.277 7.406 -0.129 17742 2144 1 4 . 1 1 17 17 ASP N N 347 122.234 122.234 121.171 1.063 17742 2145 1 4 . 1 1 17 17 ASP HA H 347 4.969 4.969 4.875 0.094 17742 2146 1 4 . 1 1 17 17 ASP C C 347 175.703 175.703 176.263 -0.560 17742 2147 1 4 . 1 1 17 17 ASP CA C 347 52.761 52.761 53.403 -0.642 17742 2148 1 4 . 1 1 17 17 ASP CB C 347 43.427 43.427 44.364 -0.937 17742 2149 1 4 . 1 1 17 17 ASP H H 347 7.353 7.353 7.643 -0.290 17742 2150 1 4 . 1 1 18 18 SER N N 348 120.139 120.139 119.388 0.751 17742 2151 1 4 . 1 1 18 18 SER HA H 348 4.371 4.371 4.366 0.005 17742 2152 1 4 . 1 1 18 18 SER C C 348 176.259 176.259 176.253 0.006 17742 2153 1 4 . 1 1 18 18 SER CA C 348 61.131 61.131 60.170 0.961 17742 2154 1 4 . 1 1 18 18 SER CB C 348 63.177 63.177 63.268 -0.091 17742 2155 1 4 . 1 1 18 18 SER H H 348 8.691 8.691 8.779 -0.088 17742 2156 1 4 . 1 1 19 19 ARG N N 349 122.716 122.716 123.179 -0.463 17742 2157 1 4 . 1 1 19 19 ARG HA H 349 4.114 4.114 3.863 0.251 17742 2158 1 4 . 1 1 19 19 ARG C C 349 178.154 178.154 178.110 0.044 17742 2159 1 4 . 1 1 19 19 ARG CA C 349 58.531 58.531 58.770 -0.239 17742 2160 1 4 . 1 1 19 19 ARG CB C 349 29.794 29.794 29.665 0.129 17742 2161 1 4 . 1 1 19 19 ARG H H 349 8.586 8.586 8.109 0.477 17742 2162 1 4 . 1 1 20 20 TYR N N 350 116.201 116.201 116.200 0.001 17742 2163 1 4 . 1 1 20 20 TYR HA H 350 4.883 4.883 4.701 0.182 17742 2164 1 4 . 1 1 20 20 TYR C C 350 177.029 177.029 176.194 0.835 17742 2165 1 4 . 1 1 20 20 TYR CA C 350 58.741 58.741 56.194 2.547 17742 2166 1 4 . 1 1 20 20 TYR CB C 350 37.642 37.642 36.412 1.230 17742 2167 1 4 . 1 1 20 20 TYR H H 350 8.291 8.291 7.522 0.769 17742 2168 1 4 . 1 1 21 21 GLU N N 351 120.803 120.803 120.230 0.573 17742 2169 1 4 . 1 1 21 21 GLU HA H 351 4.466 4.466 4.347 0.119 17742 2170 1 4 . 1 1 21 21 GLU C C 351 176.324 176.324 177.133 -0.809 17742 2171 1 4 . 1 1 21 21 GLU CA C 351 59.132 59.132 58.556 0.576 17742 2172 1 4 . 1 1 21 21 GLU CB C 351 29.864 29.864 28.887 0.978 17742 2173 1 4 . 1 1 21 21 GLU H H 351 7.513 7.513 7.772 -0.259 17742 2174 1 4 . 1 1 22 22 ASN N N 352 114.531 114.531 115.337 -0.806 17742 2175 1 4 . 1 1 22 22 ASN HA H 352 4.492 4.492 4.631 -0.139 17742 2176 1 4 . 1 1 22 22 ASN C C 352 174.497 174.497 175.493 -0.996 17742 2177 1 4 . 1 1 22 22 ASN CA C 352 54.122 54.122 53.862 0.260 17742 2178 1 4 . 1 1 22 22 ASN CB C 352 36.935 36.935 38.943 -2.008 17742 2179 1 4 . 1 1 22 22 ASN H H 352 8.649 8.649 8.235 0.414 17742 2180 1 4 . 1 1 23 23 PHE N N 353 115.501 115.501 115.904 -0.403 17742 2181 1 4 . 1 1 23 23 PHE HA H 353 4.751 4.751 4.657 0.094 17742 2182 1 4 . 1 1 23 23 PHE C C 353 176.442 176.442 174.971 1.471 17742 2183 1 4 . 1 1 23 23 PHE CB C 353 41.502 41.502 41.850 -0.348 17742 2184 1 4 . 1 1 23 23 PHE H H 353 8.555 8.555 8.043 0.512 17742 2185 1 4 . 1 1 24 24 ILE N N 354 120.734 120.734 117.901 2.833 17742 2186 1 4 . 1 1 24 24 ILE HA H 354 5.059 5.059 4.963 0.096 17742 2187 1 4 . 1 1 24 24 ILE C C 354 179.332 179.332 173.111 6.221 17742 2188 1 4 . 1 1 24 24 ILE CA C 354 59.831 59.831 60.456 -0.625 17742 2189 1 4 . 1 1 24 24 ILE CB C 354 40.623 40.623 41.911 -1.288 17742 2190 1 4 . 1 1 24 24 ILE H H 354 8.428 8.428 8.853 -0.425 17742 2191 1 4 . 1 1 25 25 ARG N N 355 121.187 121.187 123.085 -1.898 17742 2192 1 4 . 1 1 25 25 ARG HA H 355 4.904 4.904 4.881 0.023 17742 2193 1 4 . 1 1 25 25 ARG C C 355 175.152 175.152 174.442 0.710 17742 2194 1 4 . 1 1 25 25 ARG CA C 355 54.529 54.529 54.467 0.062 17742 2195 1 4 . 1 1 25 25 ARG CB C 355 33.599 33.599 33.552 0.047 17742 2196 1 4 . 1 1 25 25 ARG H H 355 8.671 8.671 8.918 -0.247 17742 2197 1 4 . 1 1 26 26 TRP N N 356 122.024 122.024 123.452 -1.428 17742 2198 1 4 . 1 1 26 26 TRP HA H 356 4.884 4.884 4.624 0.260 17742 2199 1 4 . 1 1 26 26 TRP C C 356 176.642 176.642 176.612 0.030 17742 2200 1 4 . 1 1 26 26 TRP CA C 356 57.960 57.960 58.397 -0.437 17742 2201 1 4 . 1 1 26 26 TRP CB C 356 30.634 30.634 29.561 1.073 17742 2202 1 4 . 1 1 26 26 TRP H H 356 9.159 9.159 8.967 0.192 17742 2203 1 4 . 1 1 27 27 GLU N N 357 125.331 125.331 125.245 0.086 17742 2204 1 4 . 1 1 27 27 GLU HA H 357 4.681 4.681 4.411 0.270 17742 2205 1 4 . 1 1 27 27 GLU C C 357 176.775 176.775 176.119 0.656 17742 2206 1 4 . 1 1 27 27 GLU CA C 357 56.990 56.990 57.601 -0.611 17742 2207 1 4 . 1 1 27 27 GLU CB C 357 31.579 31.579 31.331 0.248 17742 2208 1 4 . 1 1 27 27 GLU H H 357 9.504 9.504 8.648 0.856 17742 2209 1 4 . 1 1 28 28 ASP N N 358 116.213 116.213 118.293 -2.080 17742 2210 1 4 . 1 1 28 28 ASP HA H 358 4.771 4.771 4.871 -0.100 17742 2211 1 4 . 1 1 28 28 ASP C C 358 176.167 176.167 175.171 0.996 17742 2212 1 4 . 1 1 28 28 ASP CA C 358 53.541 53.541 53.863 -0.322 17742 2213 1 4 . 1 1 28 28 ASP CB C 358 41.932 41.932 42.201 -0.269 17742 2214 1 4 . 1 1 28 28 ASP H H 358 7.846 7.846 8.457 -0.611 17742 2215 1 4 . 1 1 29 29 LYS N N 359 127.762 127.762 125.256 2.506 17742 2216 1 4 . 1 1 29 29 LYS HA H 359 3.157 3.157 3.504 -0.347 17742 2217 1 4 . 1 1 29 29 LYS C C 359 178.776 178.776 177.789 0.987 17742 2218 1 4 . 1 1 29 29 LYS CA C 359 60.229 60.229 58.733 1.496 17742 2219 1 4 . 1 1 29 29 LYS CB C 359 32.734 32.734 32.267 0.467 17742 2220 1 4 . 1 1 29 29 LYS H H 359 9.216 9.216 8.627 0.589 17742 2221 1 4 . 1 1 30 30 GLU N N 360 119.601 119.601 118.541 1.060 17742 2222 1 4 . 1 1 30 30 GLU HA H 360 3.925 3.925 4.074 -0.149 17742 2223 1 4 . 1 1 30 30 GLU C C 360 178.684 178.684 178.071 0.613 17742 2224 1 4 . 1 1 30 30 GLU CA C 360 59.570 59.570 58.530 1.040 17742 2225 1 4 . 1 1 30 30 GLU CB C 360 29.177 29.177 29.663 -0.486 17742 2226 1 4 . 1 1 30 30 GLU H H 360 8.340 8.340 8.276 0.064 17742 2227 1 4 . 1 1 31 31 SER N N 361 113.301 113.301 113.436 -0.135 17742 2228 1 4 . 1 1 31 31 SER HA H 361 4.494 4.494 4.402 0.092 17742 2229 1 4 . 1 1 31 31 SER C C 361 172.357 172.357 174.925 -2.568 17742 2230 1 4 . 1 1 31 31 SER CA C 361 58.807 58.807 59.611 -0.804 17742 2231 1 4 . 1 1 31 31 SER CB C 361 63.768 63.768 64.172 -0.404 17742 2232 1 4 . 1 1 31 31 SER H H 361 7.463 7.463 7.920 -0.457 17742 2233 1 4 . 1 1 32 32 LYS N N 362 115.170 115.170 115.133 0.037 17742 2234 1 4 . 1 1 32 32 LYS HA H 362 3.910 3.910 4.291 -0.381 17742 2235 1 4 . 1 1 32 32 LYS C C 362 175.500 175.500 175.311 0.189 17742 2236 1 4 . 1 1 32 32 LYS CA C 362 57.630 57.630 56.910 0.720 17742 2237 1 4 . 1 1 32 32 LYS CB C 362 29.801 29.801 30.273 -0.472 17742 2238 1 4 . 1 1 32 32 LYS H H 362 7.752 7.752 7.681 0.071 17742 2239 1 4 . 1 1 33 33 ILE N N 363 118.274 118.274 121.141 -2.867 17742 2240 1 4 . 1 1 33 33 ILE HA H 363 5.375 5.375 4.978 0.397 17742 2241 1 4 . 1 1 33 33 ILE C C 363 177.068 177.068 175.918 1.150 17742 2242 1 4 . 1 1 33 33 ILE CA C 363 60.428 60.428 59.762 0.666 17742 2243 1 4 . 1 1 33 33 ILE CB C 363 40.206 40.206 37.083 3.123 17742 2244 1 4 . 1 1 33 33 ILE H H 363 8.262 8.262 8.286 -0.024 17742 2245 1 4 . 1 1 34 34 PHE N N 364 128.285 128.285 126.599 1.686 17742 2246 1 4 . 1 1 34 34 PHE HA H 364 5.566 5.566 5.270 0.296 17742 2247 1 4 . 1 1 34 34 PHE C C 364 179.560 179.560 172.962 6.598 17742 2248 1 4 . 1 1 34 34 PHE CA C 364 55.080 55.080 55.255 -0.174 17742 2249 1 4 . 1 1 34 34 PHE CB C 364 44.097 44.097 42.577 1.520 17742 2250 1 4 . 1 1 34 34 PHE H H 364 9.936 9.936 9.305 0.631 17742 2251 1 4 . 1 1 35 35 ARG N N 365 120.953 120.953 123.531 -2.578 17742 2252 1 4 . 1 1 35 35 ARG HA H 365 5.484 5.484 4.570 0.914 17742 2253 1 4 . 1 1 35 35 ARG C C 365 176.522 176.522 174.543 1.979 17742 2254 1 4 . 1 1 35 35 ARG CA C 365 53.584 53.584 53.652 -0.068 17742 2255 1 4 . 1 1 35 35 ARG CB C 365 36.439 36.439 33.570 2.869 17742 2256 1 4 . 1 1 35 35 ARG H H 365 9.430 9.430 9.046 0.384 17742 2257 1 4 . 1 1 36 36 ILE N N 366 125.455 125.455 128.101 -2.646 17742 2258 1 4 . 1 1 36 36 ILE HA H 366 4.201 4.201 3.979 0.222 17742 2259 1 4 . 1 1 36 36 ILE C C 366 173.923 173.923 174.774 -0.851 17742 2260 1 4 . 1 1 36 36 ILE CA C 366 63.110 63.110 62.366 0.744 17742 2261 1 4 . 1 1 36 36 ILE CB C 366 37.964 37.964 37.392 0.572 17742 2262 1 4 . 1 1 36 36 ILE H H 366 8.639 8.639 8.044 0.595 17742 2263 1 4 . 1 1 37 37 VAL N N 367 129.251 129.251 127.403 1.848 17742 2264 1 4 . 1 1 37 37 VAL HA H 367 3.674 3.674 3.973 -0.299 17742 2265 1 4 . 1 1 37 37 VAL C C 367 175.948 175.948 176.397 -0.449 17742 2266 1 4 . 1 1 37 37 VAL CA C 367 64.171 64.171 64.510 -0.339 17742 2267 1 4 . 1 1 37 37 VAL CB C 367 32.870 32.870 32.498 0.372 17742 2268 1 4 . 1 1 37 37 VAL H H 367 7.839 7.839 8.234 -0.395 17742 2269 1 4 . 1 1 38 38 ASP N N 368 114.991 114.991 119.272 -4.281 17742 2270 1 4 . 1 1 38 38 ASP HA H 368 5.213 5.213 5.039 0.174 17742 2271 1 4 . 1 1 38 38 ASP CA C 368 50.242 50.242 50.864 -0.622 17742 2272 1 4 . 1 1 38 38 ASP CB C 368 42.169 42.169 42.216 -0.047 17742 2273 1 4 . 1 1 38 38 ASP H H 368 7.279 7.279 8.202 -0.923 17742 2274 1 4 . 1 1 39 39 PRO HA H 369 3.794 3.794 4.394 -0.600 17742 2275 1 4 . 1 1 39 39 PRO C C 369 178.037 178.037 178.428 -0.391 17742 2276 1 4 . 1 1 39 39 PRO CA C 369 65.619 65.619 65.354 0.265 17742 2277 1 4 . 1 1 39 39 PRO CB C 369 31.057 31.057 32.117 -1.060 17742 2278 1 4 . 1 1 40 40 ASN N N 370 115.439 115.439 117.228 -1.789 17742 2279 1 4 . 1 1 40 40 ASN HA H 370 4.596 4.596 4.663 -0.067 17742 2280 1 4 . 1 1 40 40 ASN C C 370 178.570 178.570 177.939 0.631 17742 2281 1 4 . 1 1 40 40 ASN CA C 370 56.501 56.501 56.008 0.492 17742 2282 1 4 . 1 1 40 40 ASN CB C 370 38.012 38.012 38.096 -0.084 17742 2283 1 4 . 1 1 40 40 ASN H H 370 8.121 8.121 8.107 0.014 17742 2284 1 4 . 1 1 41 41 GLY N N 371 111.317 111.317 108.899 2.418 17742 2285 1 4 . 1 1 41 41 GLY C C 371 176.090 176.090 176.632 -0.542 17742 2286 1 4 . 1 1 41 41 GLY CA C 371 47.932 47.932 46.997 0.935 17742 2287 1 4 . 1 1 41 41 GLY H H 371 8.622 8.622 9.270 -0.648 17742 2288 1 4 . 1 1 42 42 LEU N N 372 122.892 122.892 123.788 -0.896 17742 2289 1 4 . 1 1 42 42 LEU HA H 372 4.031 4.031 4.281 -0.250 17742 2290 1 4 . 1 1 42 42 LEU C C 372 177.766 177.766 178.863 -1.097 17742 2291 1 4 . 1 1 42 42 LEU CA C 372 57.830 57.830 57.922 -0.092 17742 2292 1 4 . 1 1 42 42 LEU CB C 372 42.132 42.132 41.286 0.846 17742 2293 1 4 . 1 1 42 42 LEU H H 372 8.881 8.881 8.785 0.096 17742 2294 1 4 . 1 1 43 43 ALA N N 373 120.112 120.112 121.695 -1.583 17742 2295 1 4 . 1 1 43 43 ALA HA H 373 4.458 4.458 4.112 0.346 17742 2296 1 4 . 1 1 43 43 ALA C C 373 179.093 179.093 180.089 -0.996 17742 2297 1 4 . 1 1 43 43 ALA CA C 373 55.451 55.451 55.184 0.267 17742 2298 1 4 . 1 1 43 43 ALA CB C 373 18.324 18.324 18.410 -0.086 17742 2299 1 4 . 1 1 43 43 ALA H H 373 8.072 8.072 8.481 -0.409 17742 2300 1 4 . 1 1 44 44 ARG N N 374 117.916 117.916 119.217 -1.301 17742 2301 1 4 . 1 1 44 44 ARG HA H 374 4.093 4.093 4.085 0.008 17742 2302 1 4 . 1 1 44 44 ARG C C 374 179.473 179.473 179.033 0.440 17742 2303 1 4 . 1 1 44 44 ARG CA C 374 59.372 59.372 59.738 -0.366 17742 2304 1 4 . 1 1 44 44 ARG CB C 374 30.114 30.114 30.290 -0.176 17742 2305 1 4 . 1 1 44 44 ARG H H 374 7.769 7.769 7.964 -0.195 17742 2306 1 4 . 1 1 45 45 LEU N N 375 121.489 121.489 120.825 0.664 17742 2307 1 4 . 1 1 45 45 LEU HA H 375 4.007 4.007 4.018 -0.011 17742 2308 1 4 . 1 1 45 45 LEU C C 375 180.049 180.049 179.027 1.022 17742 2309 1 4 . 1 1 45 45 LEU CA C 375 58.390 58.390 58.241 0.149 17742 2310 1 4 . 1 1 45 45 LEU CB C 375 41.552 41.552 41.820 -0.268 17742 2311 1 4 . 1 1 45 45 LEU H H 375 7.903 7.903 8.663 -0.760 17742 2312 1 4 . 1 1 46 46 TRP N N 376 121.466 121.466 120.854 0.612 17742 2313 1 4 . 1 1 46 46 TRP HA H 376 4.089 4.089 3.542 0.547 17742 2314 1 4 . 1 1 46 46 TRP C C 376 177.939 177.939 178.354 -0.415 17742 2315 1 4 . 1 1 46 46 TRP CA C 376 60.022 60.022 60.606 -0.584 17742 2316 1 4 . 1 1 46 46 TRP CB C 376 28.817 28.817 29.011 -0.194 17742 2317 1 4 . 1 1 46 46 TRP H H 376 8.633 8.633 8.631 0.002 17742 2318 1 4 . 1 1 47 47 GLY N N 377 105.142 105.142 106.436 -1.294 17742 2319 1 4 . 1 1 47 47 GLY C C 377 176.128 176.128 175.733 0.395 17742 2320 1 4 . 1 1 47 47 GLY CA C 377 48.035 48.035 47.100 0.935 17742 2321 1 4 . 1 1 47 47 GLY H H 377 8.828 8.828 8.809 0.019 17742 2322 1 4 . 1 1 48 48 ASN N N 378 120.327 120.327 121.200 -0.873 17742 2323 1 4 . 1 1 48 48 ASN HA H 378 4.402 4.402 4.365 0.037 17742 2324 1 4 . 1 1 48 48 ASN C C 378 178.625 178.625 177.735 0.890 17742 2325 1 4 . 1 1 48 48 ASN CA C 378 56.231 56.231 55.636 0.595 17742 2326 1 4 . 1 1 48 48 ASN CB C 378 38.132 38.132 38.437 -0.305 17742 2327 1 4 . 1 1 48 48 ASN H H 378 8.212 8.212 8.262 -0.050 17742 2328 1 4 . 1 1 49 49 HIS N N 379 121.871 121.871 119.591 2.280 17742 2329 1 4 . 1 1 49 49 HIS HA H 379 4.205 4.205 4.364 -0.159 17742 2330 1 4 . 1 1 49 49 HIS C C 379 176.086 176.086 176.260 -0.174 17742 2331 1 4 . 1 1 49 49 HIS CA C 379 59.390 59.390 58.221 1.169 17742 2332 1 4 . 1 1 49 49 HIS CB C 379 29.564 29.564 29.665 -0.101 17742 2333 1 4 . 1 1 49 49 HIS H H 379 8.094 8.094 7.367 0.727 17742 2334 1 4 . 1 1 50 50 LYS N N 380 115.181 115.181 117.238 -2.057 17742 2335 1 4 . 1 1 50 50 LYS HA H 380 3.911 3.911 4.041 -0.130 17742 2336 1 4 . 1 1 50 50 LYS C C 380 175.348 175.348 175.206 0.142 17742 2337 1 4 . 1 1 50 50 LYS CA C 380 53.632 53.632 54.741 -1.109 17742 2338 1 4 . 1 1 50 50 LYS CB C 380 30.742 30.742 30.764 -0.022 17742 2339 1 4 . 1 1 50 50 LYS H H 380 7.482 7.482 7.151 0.331 17742 2340 1 4 . 1 1 51 51 ASN N N 381 116.362 116.362 113.887 2.475 17742 2341 1 4 . 1 1 51 51 ASN HA H 381 4.259 4.259 4.116 0.143 17742 2342 1 4 . 1 1 51 51 ASN C C 381 174.400 174.400 174.548 -0.148 17742 2343 1 4 . 1 1 51 51 ASN CA C 381 54.312 54.312 54.160 0.152 17742 2344 1 4 . 1 1 51 51 ASN CB C 381 37.272 37.272 36.869 0.403 17742 2345 1 4 . 1 1 51 51 ASN H H 381 7.753 7.753 7.566 0.187 17742 2346 1 4 . 1 1 52 52 ARG N N 382 117.723 117.723 117.383 0.340 17742 2347 1 4 . 1 1 52 52 ARG HA H 382 4.658 4.658 4.665 -0.007 17742 2348 1 4 . 1 1 52 52 ARG C C 382 176.209 176.209 175.728 0.481 17742 2349 1 4 . 1 1 52 52 ARG CA C 382 53.668 53.668 53.648 0.020 17742 2350 1 4 . 1 1 52 52 ARG CB C 382 32.212 32.212 32.346 -0.134 17742 2351 1 4 . 1 1 52 52 ARG H H 382 8.476 8.476 7.914 0.562 17742 2352 1 4 . 1 1 53 53 THR N N 383 114.109 114.109 115.298 -1.189 17742 2353 1 4 . 1 1 53 53 THR HA H 383 4.221 4.221 4.386 -0.165 17742 2354 1 4 . 1 1 53 53 THR C C 383 174.644 174.644 175.747 -1.103 17742 2355 1 4 . 1 1 53 53 THR CA C 383 62.187 62.187 63.161 -0.974 17742 2356 1 4 . 1 1 53 53 THR CB C 383 69.710 69.710 69.480 0.230 17742 2357 1 4 . 1 1 53 53 THR H H 383 8.333 8.333 8.377 -0.044 17742 2358 1 4 . 1 1 54 54 ASN N N 384 118.768 118.768 122.184 -3.416 17742 2359 1 4 . 1 1 54 54 ASN HA H 384 4.609 4.609 4.658 -0.049 17742 2360 1 4 . 1 1 54 54 ASN C C 384 174.975 174.975 173.858 1.117 17742 2361 1 4 . 1 1 54 54 ASN CA C 384 53.193 53.193 53.071 0.122 17742 2362 1 4 . 1 1 54 54 ASN CB C 384 37.632 37.632 37.704 -0.072 17742 2363 1 4 . 1 1 54 54 ASN H H 384 8.521 8.521 8.318 0.203 17742 2364 1 4 . 1 1 55 55 MET N N 385 119.621 119.621 121.067 -1.446 17742 2365 1 4 . 1 1 55 55 MET HA H 385 4.566 4.566 4.643 -0.077 17742 2366 1 4 . 1 1 55 55 MET C C 385 175.078 175.078 174.463 0.615 17742 2367 1 4 . 1 1 55 55 MET CA C 385 55.298 55.298 54.229 1.069 17742 2368 1 4 . 1 1 55 55 MET CB C 385 31.244 31.244 35.026 -3.781 17742 2369 1 4 . 1 1 55 55 MET H H 385 8.162 8.162 7.951 0.211 17742 2370 1 4 . 1 1 56 56 THR N N 386 113.114 113.114 117.075 -3.961 17742 2371 1 4 . 1 1 56 56 THR HA H 386 4.824 4.824 4.589 0.235 17742 2372 1 4 . 1 1 56 56 THR C C 386 175.549 175.549 174.478 1.071 17742 2373 1 4 . 1 1 56 56 THR CA C 386 59.060 59.060 61.209 -2.150 17742 2374 1 4 . 1 1 56 56 THR CB C 386 72.290 72.290 71.276 1.014 17742 2375 1 4 . 1 1 56 56 THR H H 386 7.031 7.031 7.902 -0.871 17742 2376 1 4 . 1 1 57 57 TYR N N 387 123.401 123.401 125.322 -1.921 17742 2377 1 4 . 1 1 57 57 TYR HA H 387 4.134 4.134 4.202 -0.068 17742 2378 1 4 . 1 1 57 57 TYR C C 387 177.304 177.304 177.119 0.185 17742 2379 1 4 . 1 1 57 57 TYR CA C 387 62.300 62.300 62.985 -0.685 17742 2380 1 4 . 1 1 57 57 TYR CB C 387 37.359 37.359 38.700 -1.341 17742 2381 1 4 . 1 1 57 57 TYR H H 387 9.691 9.691 9.131 0.560 17742 2382 1 4 . 1 1 58 58 GLU N N 388 120.999 120.999 117.757 3.242 17742 2383 1 4 . 1 1 58 58 GLU HA H 388 3.823 3.823 4.045 -0.222 17742 2384 1 4 . 1 1 58 58 GLU C C 388 179.213 179.213 178.968 0.245 17742 2385 1 4 . 1 1 58 58 GLU CA C 388 60.477 60.477 59.981 0.496 17742 2386 1 4 . 1 1 58 58 GLU CB C 388 28.895 28.895 29.042 -0.147 17742 2387 1 4 . 1 1 58 58 GLU H H 388 8.838 8.838 9.113 -0.275 17742 2388 1 4 . 1 1 59 59 LYS N N 389 118.962 118.962 117.427 1.535 17742 2389 1 4 . 1 1 59 59 LYS HA H 389 3.939 3.939 4.180 -0.241 17742 2390 1 4 . 1 1 59 59 LYS C C 389 178.797 178.797 178.483 0.314 17742 2391 1 4 . 1 1 59 59 LYS CA C 389 60.065 60.065 58.829 1.236 17742 2392 1 4 . 1 1 59 59 LYS CB C 389 33.378 33.378 32.652 0.726 17742 2393 1 4 . 1 1 59 59 LYS H H 389 7.506 7.506 7.831 -0.325 17742 2394 1 4 . 1 1 60 60 MET N N 390 120.087 120.087 118.895 1.192 17742 2395 1 4 . 1 1 60 60 MET HA H 390 3.869 3.869 4.342 -0.473 17742 2396 1 4 . 1 1 60 60 MET C C 390 178.146 178.146 177.505 0.641 17742 2397 1 4 . 1 1 60 60 MET CA C 390 59.776 59.776 58.040 1.736 17742 2398 1 4 . 1 1 60 60 MET CB C 390 33.462 33.462 33.626 -0.164 17742 2399 1 4 . 1 1 60 60 MET H H 390 8.051 8.051 7.929 0.122 17742 2400 1 4 . 1 1 61 61 SER N N 391 114.537 114.537 115.566 -1.029 17742 2401 1 4 . 1 1 61 61 SER HA H 391 3.786 3.786 3.803 -0.017 17742 2402 1 4 . 1 1 61 61 SER C C 391 176.380 176.380 175.891 0.489 17742 2403 1 4 . 1 1 61 61 SER CA C 391 61.600 61.600 61.269 0.331 17742 2404 1 4 . 1 1 61 61 SER CB C 391 62.251 62.251 63.002 -0.751 17742 2405 1 4 . 1 1 61 61 SER H H 391 8.853 8.853 8.612 0.241 17742 2406 1 4 . 1 1 62 62 ARG N N 392 122.214 122.214 121.397 0.817 17742 2407 1 4 . 1 1 62 62 ARG HA H 392 3.928 3.928 4.054 -0.126 17742 2408 1 4 . 1 1 62 62 ARG C C 392 178.732 178.732 178.235 0.497 17742 2409 1 4 . 1 1 62 62 ARG CA C 392 59.490 59.490 58.594 0.895 17742 2410 1 4 . 1 1 62 62 ARG CB C 392 30.207 30.207 29.382 0.825 17742 2411 1 4 . 1 1 62 62 ARG H H 392 7.471 7.471 7.638 -0.167 17742 2412 1 4 . 1 1 63 63 ALA N N 393 121.091 121.091 121.073 0.018 17742 2413 1 4 . 1 1 63 63 ALA HA H 393 4.162 4.162 4.198 -0.036 17742 2414 1 4 . 1 1 63 63 ALA C C 393 179.699 179.699 179.406 0.293 17742 2415 1 4 . 1 1 63 63 ALA CA C 393 54.722 54.722 54.264 0.458 17742 2416 1 4 . 1 1 63 63 ALA CB C 393 18.154 18.154 18.314 -0.160 17742 2417 1 4 . 1 1 63 63 ALA H H 393 7.376 7.376 7.383 -0.007 17742 2418 1 4 . 1 1 64 64 LEU N N 394 117.568 117.568 118.282 -0.714 17742 2419 1 4 . 1 1 64 64 LEU HA H 394 3.777 3.777 3.039 0.738 17742 2420 1 4 . 1 1 64 64 LEU C C 394 178.085 178.085 178.387 -0.302 17742 2421 1 4 . 1 1 64 64 LEU CA C 394 58.075 58.075 56.741 1.334 17742 2422 1 4 . 1 1 64 64 LEU CB C 394 41.052 41.052 41.101 -0.049 17742 2423 1 4 . 1 1 64 64 LEU H H 394 7.853 7.853 6.965 0.888 17742 2424 1 4 . 1 1 65 65 ARG N N 395 116.111 116.111 117.467 -1.356 17742 2425 1 4 . 1 1 65 65 ARG HA H 395 3.529 3.529 3.806 -0.277 17742 2426 1 4 . 1 1 65 65 ARG C C 395 179.519 179.519 178.829 0.690 17742 2427 1 4 . 1 1 65 65 ARG CA C 395 59.133 59.133 58.490 0.643 17742 2428 1 4 . 1 1 65 65 ARG CB C 395 30.004 30.004 29.067 0.937 17742 2429 1 4 . 1 1 65 65 ARG H H 395 7.521 7.521 7.951 -0.430 17742 2430 1 4 . 1 1 66 66 HIS N N 396 118.081 118.081 117.835 0.246 17742 2431 1 4 . 1 1 66 66 HIS HA H 396 4.436 4.436 4.457 -0.021 17742 2432 1 4 . 1 1 66 66 HIS C C 396 177.826 177.826 177.733 0.093 17742 2433 1 4 . 1 1 66 66 HIS CA C 396 59.063 59.063 59.989 -0.926 17742 2434 1 4 . 1 1 66 66 HIS CB C 396 30.154 30.154 29.925 0.229 17742 2435 1 4 . 1 1 66 66 HIS H H 396 7.241 7.241 7.552 -0.311 17742 2436 1 4 . 1 1 67 67 TYR N N 397 116.301 116.301 119.098 -2.797 17742 2437 1 4 . 1 1 67 67 TYR HA H 397 4.128 4.128 4.259 -0.131 17742 2438 1 4 . 1 1 67 67 TYR C C 397 179.075 179.075 178.124 0.951 17742 2439 1 4 . 1 1 67 67 TYR CA C 397 61.525 61.525 59.444 2.081 17742 2440 1 4 . 1 1 67 67 TYR CB C 397 37.522 37.522 36.608 0.914 17742 2441 1 4 . 1 1 67 67 TYR H H 397 7.532 7.532 7.432 0.100 17742 2442 1 4 . 1 1 68 68 TYR N N 398 121.389 121.389 117.966 3.423 17742 2443 1 4 . 1 1 68 68 TYR HA H 398 5.474 5.474 4.757 0.717 17742 2444 1 4 . 1 1 68 68 TYR C C 398 172.285 172.285 178.263 -5.978 17742 2445 1 4 . 1 1 68 68 TYR CA C 398 57.651 57.651 59.472 -1.821 17742 2446 1 4 . 1 1 68 68 TYR CB C 398 37.055 37.055 37.396 -0.341 17742 2447 1 4 . 1 1 68 68 TYR H H 398 8.061 8.061 7.320 0.741 17742 2448 1 4 . 1 1 69 69 LYS N N 399 121.098 121.098 118.966 2.132 17742 2449 1 4 . 1 1 69 69 LYS HA H 399 4.125 4.125 4.172 -0.047 17742 2450 1 4 . 1 1 69 69 LYS C C 399 178.122 178.122 178.213 -0.091 17742 2451 1 4 . 1 1 69 69 LYS CA C 399 58.801 58.801 58.330 0.471 17742 2452 1 4 . 1 1 69 69 LYS CB C 399 32.242 32.242 31.955 0.287 17742 2453 1 4 . 1 1 69 69 LYS H H 399 7.799 7.799 7.568 0.231 17742 2454 1 4 . 1 1 70 70 LEU N N 400 116.117 116.117 117.038 -0.921 17742 2455 1 4 . 1 1 70 70 LEU HA H 400 4.312 4.312 4.277 0.035 17742 2456 1 4 . 1 1 70 70 LEU C C 400 175.903 175.903 176.760 -0.857 17742 2457 1 4 . 1 1 70 70 LEU CA C 400 54.642 54.642 55.184 -0.542 17742 2458 1 4 . 1 1 70 70 LEU CB C 400 42.796 42.796 41.740 1.056 17742 2459 1 4 . 1 1 70 70 LEU H H 400 7.257 7.257 8.225 -0.968 17742 2460 1 4 . 1 1 71 71 ASN N N 401 115.181 115.181 115.279 -0.098 17742 2461 1 4 . 1 1 71 71 ASN HA H 401 4.368 4.368 4.402 -0.034 17742 2462 1 4 . 1 1 71 71 ASN C C 401 173.597 173.597 175.760 -2.163 17742 2463 1 4 . 1 1 71 71 ASN CA C 401 54.622 54.622 54.822 -0.200 17742 2464 1 4 . 1 1 71 71 ASN CB C 401 37.252 37.252 36.929 0.323 17742 2465 1 4 . 1 1 71 71 ASN H H 401 8.061 8.061 7.627 0.434 17742 2466 1 4 . 1 1 72 72 ILE N N 402 114.031 114.031 117.923 -3.892 17742 2467 1 4 . 1 1 72 72 ILE HA H 402 4.128 4.128 3.926 0.202 17742 2468 1 4 . 1 1 72 72 ILE C C 402 176.467 176.467 175.379 1.088 17742 2469 1 4 . 1 1 72 72 ILE CA C 402 63.720 63.720 64.058 -0.338 17742 2470 1 4 . 1 1 72 72 ILE CB C 402 40.491 40.491 39.062 1.429 17742 2471 1 4 . 1 1 72 72 ILE H H 402 8.104 8.104 8.457 -0.353 17742 2472 1 4 . 1 1 73 73 ILE N N 403 116.973 116.973 117.014 -0.041 17742 2473 1 4 . 1 1 73 73 ILE HA H 403 5.014 5.014 5.300 -0.286 17742 2474 1 4 . 1 1 73 73 ILE C C 403 174.039 174.039 174.037 0.002 17742 2475 1 4 . 1 1 73 73 ILE CA C 403 59.357 59.357 59.397 -0.040 17742 2476 1 4 . 1 1 73 73 ILE CB C 403 43.362 43.362 42.009 1.353 17742 2477 1 4 . 1 1 73 73 ILE H H 403 7.099 7.099 7.577 -0.478 17742 2478 1 4 . 1 1 74 74 ARG N N 404 123.639 123.639 123.734 -0.095 17742 2479 1 4 . 1 1 74 74 ARG HA H 404 4.771 4.771 4.780 -0.009 17742 2480 1 4 . 1 1 74 74 ARG C C 404 174.917 174.917 174.138 0.779 17742 2481 1 4 . 1 1 74 74 ARG CA C 404 54.261 54.261 54.288 -0.027 17742 2482 1 4 . 1 1 74 74 ARG CB C 404 34.689 34.689 33.517 1.173 17742 2483 1 4 . 1 1 74 74 ARG H H 404 8.983 8.983 8.616 0.367 17742 2484 1 4 . 1 1 75 75 LYS N N 405 125.665 125.665 122.073 3.592 17742 2485 1 4 . 1 1 75 75 LYS HA H 405 4.071 4.071 4.613 -0.542 17742 2486 1 4 . 1 1 75 75 LYS C C 405 176.525 176.525 176.432 0.093 17742 2487 1 4 . 1 1 75 75 LYS CA C 405 56.470 56.470 56.051 0.419 17742 2488 1 4 . 1 1 75 75 LYS CB C 405 32.649 32.649 33.113 -0.464 17742 2489 1 4 . 1 1 75 75 LYS H H 405 8.263 8.263 8.394 -0.131 17742 2490 1 4 . 1 1 76 76 GLU N N 406 128.072 128.072 124.035 4.037 17742 2491 1 4 . 1 1 76 76 GLU HA H 406 4.432 4.432 4.372 0.060 17742 2492 1 4 . 1 1 76 76 GLU CA C 406 53.747 53.747 54.362 -0.615 17742 2493 1 4 . 1 1 76 76 GLU CB C 406 29.914 29.914 29.251 0.663 17742 2494 1 4 . 1 1 76 76 GLU H H 406 8.024 8.024 8.735 -0.711 17742 2495 1 4 . 1 1 77 77 PRO HA H 407 4.282 4.282 4.229 0.053 17742 2496 1 4 . 1 1 77 77 PRO C C 407 177.719 177.719 177.707 0.012 17742 2497 1 4 . 1 1 77 77 PRO CA C 407 63.407 63.407 64.190 -0.783 17742 2498 1 4 . 1 1 77 77 PRO CB C 407 32.184 32.184 31.163 1.021 17742 2499 1 4 . 1 1 78 78 GLY N N 408 109.716 109.716 112.703 -2.987 17742 2500 1 4 . 1 1 78 78 GLY C C 408 174.053 174.053 173.970 0.083 17742 2501 1 4 . 1 1 78 78 GLY CA C 408 45.519 45.519 44.951 0.568 17742 2502 1 4 . 1 1 78 78 GLY H H 408 8.531 8.531 8.751 -0.220 17742 2503 1 4 . 1 1 79 79 GLN N N 409 116.964 116.964 119.533 -2.569 17742 2504 1 4 . 1 1 79 79 GLN HA H 409 4.488 4.488 4.484 0.004 17742 2505 1 4 . 1 1 79 79 GLN C C 409 175.390 175.390 175.671 -0.281 17742 2506 1 4 . 1 1 79 79 GLN CA C 409 54.359 54.359 54.724 -0.364 17742 2507 1 4 . 1 1 79 79 GLN CB C 409 31.202 31.202 30.374 0.828 17742 2508 1 4 . 1 1 79 79 GLN H H 409 7.559 7.559 7.744 -0.185 17742 2509 1 4 . 1 1 80 80 ARG N N 410 120.457 120.457 121.946 -1.489 17742 2510 1 4 . 1 1 80 80 ARG HA H 410 4.262 4.262 4.097 0.165 17742 2511 1 4 . 1 1 80 80 ARG C C 410 176.270 176.270 176.948 -0.678 17742 2512 1 4 . 1 1 80 80 ARG CA C 410 56.821 56.821 57.037 -0.216 17742 2513 1 4 . 1 1 80 80 ARG CB C 410 31.502 31.502 29.383 2.119 17742 2514 1 4 . 1 1 80 80 ARG H H 410 8.251 8.251 8.586 -0.335 17742 2515 1 4 . 1 1 81 81 LEU N N 411 119.348 119.348 120.330 -0.982 17742 2516 1 4 . 1 1 81 81 LEU HA H 411 4.023 4.023 4.514 -0.491 17742 2517 1 4 . 1 1 81 81 LEU C C 411 173.279 173.279 175.667 -2.388 17742 2518 1 4 . 1 1 81 81 LEU CA C 411 55.030 55.030 53.619 1.411 17742 2519 1 4 . 1 1 81 81 LEU CB C 411 40.335 40.335 41.100 -0.765 17742 2520 1 4 . 1 1 81 81 LEU H H 411 8.435 8.435 8.202 0.233 17742 2521 1 4 . 1 1 82 82 LEU N N 412 119.070 119.070 121.689 -2.619 17742 2522 1 4 . 1 1 82 82 LEU HA H 412 5.013 5.013 4.313 0.700 17742 2523 1 4 . 1 1 82 82 LEU C C 412 175.361 175.361 175.805 -0.444 17742 2524 1 4 . 1 1 82 82 LEU CA C 412 53.212 53.212 54.096 -0.884 17742 2525 1 4 . 1 1 82 82 LEU CB C 412 45.471 45.471 41.314 4.157 17742 2526 1 4 . 1 1 82 82 LEU H H 412 6.751 6.751 7.433 -0.682 17742 2527 1 4 . 1 1 83 83 PHE N N 413 122.184 122.184 124.846 -2.662 17742 2528 1 4 . 1 1 83 83 PHE HA H 413 4.865 4.865 5.355 -0.490 17742 2529 1 4 . 1 1 83 83 PHE C C 413 172.849 172.849 174.623 -1.774 17742 2530 1 4 . 1 1 83 83 PHE CA C 413 55.921 55.921 54.387 1.534 17742 2531 1 4 . 1 1 83 83 PHE CB C 413 44.569 44.569 42.523 2.046 17742 2532 1 4 . 1 1 83 83 PHE H H 413 8.661 8.661 8.925 -0.264 17742 2533 1 4 . 1 1 84 84 ARG N N 414 119.461 119.461 119.836 -0.375 17742 2534 1 4 . 1 1 84 84 ARG HA H 414 5.581 5.581 5.218 0.363 17742 2535 1 4 . 1 1 84 84 ARG C C 414 177.641 177.641 174.716 2.925 17742 2536 1 4 . 1 1 84 84 ARG CA C 414 54.239 54.239 55.313 -1.074 17742 2537 1 4 . 1 1 84 84 ARG CB C 414 36.198 36.198 34.017 2.181 17742 2538 1 4 . 1 1 84 84 ARG H H 414 9.098 9.098 9.003 0.095 17742 2539 1 4 . 1 1 85 85 PHE N N 415 124.274 124.274 128.193 -3.919 17742 2540 1 4 . 1 1 85 85 PHE HA H 415 5.027 5.027 5.064 -0.037 17742 2541 1 4 . 1 1 85 85 PHE C C 415 176.117 176.117 176.329 -0.212 17742 2542 1 4 . 1 1 85 85 PHE CA C 415 59.657 59.657 59.363 0.294 17742 2543 1 4 . 1 1 85 85 PHE CB C 415 40.819 40.819 38.682 2.137 17742 2544 1 4 . 1 1 85 85 PHE H H 415 8.928 8.928 9.472 -0.544 17742 2545 1 4 . 1 1 86 86 MET N N 416 121.081 121.081 123.680 -2.599 17742 2546 1 4 . 1 1 86 86 MET HA H 416 4.656 4.656 4.345 0.311 17742 2547 1 4 . 1 1 86 86 MET C C 416 176.444 176.444 176.709 -0.265 17742 2548 1 4 . 1 1 86 86 MET CA C 416 54.681 54.681 56.948 -2.267 17742 2549 1 4 . 1 1 86 86 MET CB C 416 31.698 31.698 32.591 -0.893 17742 2550 1 4 . 1 1 86 86 MET H H 416 8.676 8.676 8.770 -0.094 17742 2551 1 4 . 1 1 87 87 LYS N N 417 117.772 117.772 114.923 2.849 17742 2552 1 4 . 1 1 87 87 LYS HA H 417 4.899 4.899 4.785 0.114 17742 2553 1 4 . 1 1 87 87 LYS C C 417 175.621 175.621 175.186 0.435 17742 2554 1 4 . 1 1 87 87 LYS CA C 417 54.522 54.522 54.483 0.039 17742 2555 1 4 . 1 1 87 87 LYS CB C 417 37.905 37.905 35.828 2.077 17742 2556 1 4 . 1 1 87 87 LYS H H 417 7.624 7.624 7.421 0.203 17742 2557 1 4 . 1 1 88 88 THR N N 418 112.426 112.426 111.201 1.225 17742 2558 1 4 . 1 1 88 88 THR HA H 418 4.372 4.372 4.389 -0.017 17742 2559 1 4 . 1 1 88 88 THR CA C 418 59.786 59.786 58.588 1.198 17742 2560 1 4 . 1 1 88 88 THR CB C 418 68.040 68.040 68.244 -0.204 17742 2561 1 4 . 1 1 88 88 THR H H 418 8.787 8.787 9.087 -0.300 17742 2562 1 4 . 1 1 89 89 PRO HA H 419 3.654 3.654 3.175 0.479 17742 2563 1 4 . 1 1 89 89 PRO C C 419 177.412 177.412 178.473 -1.061 17742 2564 1 4 . 1 1 89 89 PRO CA C 419 65.712 65.712 66.478 -0.766 17742 2565 1 4 . 1 1 89 89 PRO CB C 419 31.762 31.762 31.787 -0.025 17742 2566 1 4 . 1 1 90 90 ASP N N 420 114.221 114.221 114.548 -0.327 17742 2567 1 4 . 1 1 90 90 ASP HA H 420 4.224 4.224 4.325 -0.101 17742 2568 1 4 . 1 1 90 90 ASP C C 420 178.341 178.341 178.219 0.122 17742 2569 1 4 . 1 1 90 90 ASP CA C 420 56.657 56.657 57.085 -0.428 17742 2570 1 4 . 1 1 90 90 ASP CB C 420 40.642 40.642 40.672 -0.030 17742 2571 1 4 . 1 1 90 90 ASP H H 420 7.958 7.958 8.414 -0.456 17742 2572 1 4 . 1 1 91 91 GLU N N 421 119.443 119.443 118.417 1.026 17742 2573 1 4 . 1 1 91 91 GLU HA H 421 4.006 4.006 4.016 -0.010 17742 2574 1 4 . 1 1 91 91 GLU C C 421 179.238 179.238 178.694 0.544 17742 2575 1 4 . 1 1 91 91 GLU CA C 421 58.458 58.458 58.581 -0.123 17742 2576 1 4 . 1 1 91 91 GLU CB C 421 30.774 30.774 29.674 1.100 17742 2577 1 4 . 1 1 91 91 GLU H H 421 7.628 7.628 7.676 -0.049 17742 2578 1 4 . 1 1 92 92 ILE N N 422 120.617 120.617 119.058 1.559 17742 2579 1 4 . 1 1 92 92 ILE HA H 422 3.589 3.589 3.605 -0.016 17742 2580 1 4 . 1 1 92 92 ILE C C 422 178.124 178.124 177.689 0.435 17742 2581 1 4 . 1 1 92 92 ILE CA C 422 63.878 63.878 64.094 -0.216 17742 2582 1 4 . 1 1 92 92 ILE CB C 422 38.142 38.142 37.456 0.686 17742 2583 1 4 . 1 1 92 92 ILE H H 422 7.896 7.896 7.509 0.387 17742 2584 1 4 . 1 1 93 93 MET N N 423 117.857 117.857 117.880 -0.023 17742 2585 1 4 . 1 1 93 93 MET HA H 423 4.365 4.365 4.269 0.096 17742 2586 1 4 . 1 1 93 93 MET C C 423 177.009 177.009 177.126 -0.117 17742 2587 1 4 . 1 1 93 93 MET CA C 423 56.527 56.527 58.666 -2.139 17742 2588 1 4 . 1 1 93 93 MET CB C 423 32.617 32.617 32.627 -0.010 17742 2589 1 4 . 1 1 93 93 MET H H 423 8.161 8.161 7.654 0.507 17742 2590 1 4 . 1 1 94 94 SER N N 424 114.591 114.591 111.778 2.813 17742 2591 1 4 . 1 1 94 94 SER HA H 424 4.406 4.406 4.552 -0.146 17742 2592 1 4 . 1 1 94 94 SER C C 424 175.262 175.262 174.659 0.603 17742 2593 1 4 . 1 1 94 94 SER CA C 424 59.482 59.482 58.193 1.289 17742 2594 1 4 . 1 1 94 94 SER CB C 424 63.466 63.466 63.534 -0.068 17742 2595 1 4 . 1 1 94 94 SER H H 424 7.744 7.744 7.772 -0.028 17742 2596 1 4 . 1 1 95 95 GLY N N 425 109.590 109.590 111.906 -2.316 17742 2597 1 4 . 1 1 95 95 GLY C C 425 174.197 174.197 174.093 0.104 17742 2598 1 4 . 1 1 95 95 GLY CA C 425 45.122 45.122 44.910 0.212 17742 2599 1 4 . 1 1 95 95 GLY H H 425 7.970 7.970 7.978 -0.008 17742 2600 1 4 . 1 1 96 96 ARG N N 426 119.792 119.792 121.315 -1.523 17742 2601 1 4 . 1 1 96 96 ARG HA H 426 4.567 4.567 4.812 -0.245 17742 2602 1 4 . 1 1 96 96 ARG C C 426 177.866 177.866 177.178 0.688 17742 2603 1 4 . 1 1 96 96 ARG CA C 426 55.757 55.757 54.130 1.627 17742 2604 1 4 . 1 1 96 96 ARG CB C 426 30.059 30.059 28.953 1.106 17742 2605 1 4 . 1 1 96 96 ARG H H 426 8.144 8.144 8.273 -0.129 17742 2606 1 4 . 1 1 97 97 THR N N 427 114.770 114.770 113.995 0.775 17742 2607 1 4 . 1 1 97 97 THR HA H 427 4.221 4.221 4.230 -0.009 17742 2608 1 4 . 1 1 97 97 THR C C 427 175.449 175.449 175.241 0.208 17742 2609 1 4 . 1 1 97 97 THR CA C 427 63.411 63.411 66.202 -2.791 17742 2610 1 4 . 1 1 97 97 THR CB C 427 69.080 69.080 68.784 0.296 17742 2611 1 4 . 1 1 97 97 THR H H 427 8.427 8.427 8.282 0.145 17742 2612 1 4 . 1 1 98 98 ASP N N 428 122.017 122.017 120.983 1.034 17742 2613 1 4 . 1 1 98 98 ASP HA H 428 4.404 4.404 4.480 -0.076 17742 2614 1 4 . 1 1 98 98 ASP C C 428 178.042 178.042 178.285 -0.243 17742 2615 1 4 . 1 1 98 98 ASP CA C 428 56.438 56.438 57.209 -0.771 17742 2616 1 4 . 1 1 98 98 ASP CB C 428 40.012 40.012 39.811 0.201 17742 2617 1 4 . 1 1 98 98 ASP H H 428 8.659 8.659 8.845 -0.186 17742 2618 1 4 . 1 1 99 99 ARG N N 429 120.083 120.083 119.061 1.022 17742 2619 1 4 . 1 1 99 99 ARG HA H 429 4.190 4.190 4.200 -0.010 17742 2620 1 4 . 1 1 99 99 ARG C C 429 178.236 178.236 178.381 -0.145 17742 2621 1 4 . 1 1 99 99 ARG CA C 429 58.307 58.307 58.351 -0.044 17742 2622 1 4 . 1 1 99 99 ARG CB C 429 30.073 30.073 29.932 0.141 17742 2623 1 4 . 1 1 99 99 ARG H H 429 8.011 8.011 7.811 0.200 17742 2624 1 4 . 1 1 100 100 LEU N N 430 119.784 119.784 120.295 -0.511 17742 2625 1 4 . 1 1 100 100 LEU HA H 430 4.048 4.048 4.065 -0.017 17742 2626 1 4 . 1 1 100 100 LEU C C 430 178.209 178.209 178.742 -0.533 17742 2627 1 4 . 1 1 100 100 LEU CA C 430 57.535 57.535 57.924 -0.389 17742 2628 1 4 . 1 1 100 100 LEU CB C 430 42.218 42.218 41.848 0.370 17742 2629 1 4 . 1 1 100 100 LEU H H 430 7.667 7.667 7.880 -0.213 17742 2630 1 4 . 1 1 101 101 GLU N N 431 119.434 119.434 117.804 1.630 17742 2631 1 4 . 1 1 101 101 GLU HA H 431 3.962 3.962 3.956 0.006 17742 2632 1 4 . 1 1 101 101 GLU C C 431 178.773 178.773 179.180 -0.407 17742 2633 1 4 . 1 1 101 101 GLU CA C 431 59.470 59.470 59.535 -0.065 17742 2634 1 4 . 1 1 101 101 GLU CB C 431 29.667 29.667 29.425 0.242 17742 2635 1 4 . 1 1 101 101 GLU H H 431 8.339 8.339 8.836 -0.497 17742 2636 1 4 . 1 1 102 102 HIS N N 432 118.026 118.026 118.431 -0.405 17742 2637 1 4 . 1 1 102 102 HIS HA H 432 4.463 4.463 4.459 0.004 17742 2638 1 4 . 1 1 102 102 HIS C C 432 177.322 177.322 177.294 0.028 17742 2639 1 4 . 1 1 102 102 HIS CA C 432 58.432 58.432 58.590 -0.158 17742 2640 1 4 . 1 1 102 102 HIS CB C 432 29.237 29.237 30.300 -1.063 17742 2641 1 4 . 1 1 102 102 HIS H H 432 7.995 7.995 7.598 0.397 17742 2642 1 4 . 1 1 103 103 LEU N N 433 120.785 120.785 120.821 -0.036 17742 2643 1 4 . 1 1 103 103 LEU HA H 433 3.971 3.971 3.892 0.079 17742 2644 1 4 . 1 1 103 103 LEU C C 433 179.014 179.014 178.243 0.771 17742 2645 1 4 . 1 1 103 103 LEU CA C 433 57.570 57.570 57.912 -0.342 17742 2646 1 4 . 1 1 103 103 LEU CB C 433 41.606 41.606 41.971 -0.365 17742 2647 1 4 . 1 1 103 103 LEU H H 433 8.077 8.077 8.175 -0.098 17742 2648 1 4 . 1 1 104 104 GLU N N 434 119.107 119.107 119.248 -0.141 17742 2649 1 4 . 1 1 104 104 GLU HA H 434 4.025 4.025 3.876 0.149 17742 2650 1 4 . 1 1 104 104 GLU C C 434 178.187 178.187 178.870 -0.683 17742 2651 1 4 . 1 1 104 104 GLU CA C 434 60.221 60.221 60.323 -0.102 17742 2652 1 4 . 1 1 104 104 GLU CB C 434 30.104 30.104 29.374 0.730 17742 2653 1 4 . 1 1 104 104 GLU H H 434 8.443 8.443 8.919 -0.476 17742 2654 1 4 . 1 1 105 105 SER N N 435 114.129 114.129 112.337 1.792 17742 2655 1 4 . 1 1 105 105 SER HA H 435 4.204 4.204 4.019 0.185 17742 2656 1 4 . 1 1 105 105 SER C C 435 175.924 175.924 175.060 0.864 17742 2657 1 4 . 1 1 105 105 SER CA C 435 61.303 61.303 61.620 -0.317 17742 2658 1 4 . 1 1 105 105 SER CB C 435 63.070 63.070 63.187 -0.117 17742 2659 1 4 . 1 1 105 105 SER H H 435 8.041 8.041 8.425 -0.384 17742 2660 1 4 . 1 1 106 106 GLN N N 436 120.201 120.201 119.063 1.138 17742 2661 1 4 . 1 1 106 106 GLN HA H 436 4.124 4.124 4.171 -0.047 17742 2662 1 4 . 1 1 106 106 GLN C C 436 178.242 178.242 178.515 -0.273 17742 2663 1 4 . 1 1 106 106 GLN CA C 436 58.242 58.242 58.107 0.135 17742 2664 1 4 . 1 1 106 106 GLN CB C 436 29.001 29.001 29.020 -0.019 17742 2665 1 4 . 1 1 106 106 GLN H H 436 7.823 7.823 7.495 0.328 17742 2666 1 4 . 1 1 107 107 VAL N N 437 117.503 117.503 121.889 -4.386 17742 2667 1 4 . 1 1 107 107 VAL HA H 437 3.955 3.955 4.045 -0.090 17742 2668 1 4 . 1 1 107 107 VAL C C 437 177.462 177.462 177.026 0.436 17742 2669 1 4 . 1 1 107 107 VAL CA C 437 64.414 64.414 64.913 -0.499 17742 2670 1 4 . 1 1 107 107 VAL CB C 437 32.192 32.192 31.558 0.634 17742 2671 1 4 . 1 1 107 107 VAL H H 437 7.711 7.711 8.624 -0.913 17742 2672 1 4 . 1 1 108 108 LEU HA H 438 4.072 4.072 4.180 -0.108 17742 2673 1 4 . 1 1 108 108 LEU C C 438 177.614 177.614 177.679 -0.065 17742 2674 1 4 . 1 1 108 108 LEU CA C 438 56.521 56.521 56.351 0.170 17742 2675 1 4 . 1 1 108 108 LEU CB C 438 42.149 42.149 41.127 1.022 17742 2676 1 4 . 1 1 109 109 ASP N N 439 118.500 118.500 118.959 -0.459 17742 2677 1 4 . 1 1 109 109 ASP HA H 439 4.685 4.685 4.800 -0.115 17742 2678 1 4 . 1 1 109 109 ASP C C 439 176.372 176.372 176.668 -0.296 17742 2679 1 4 . 1 1 109 109 ASP CA C 439 54.653 54.653 54.303 0.350 17742 2680 1 4 . 1 1 109 109 ASP CB C 439 41.425 41.425 42.277 -0.852 17742 2681 1 4 . 1 1 109 109 ASP H H 439 7.872 7.872 8.239 -0.367 17742 2682 1 4 . 1 1 110 110 GLU N N 440 120.701 120.701 118.674 2.027 17742 2683 1 4 . 1 1 110 110 GLU HA H 440 4.188 4.188 4.013 0.175 17742 2684 1 4 . 1 1 110 110 GLU C C 440 176.739 176.739 176.293 0.446 17742 2685 1 4 . 1 1 110 110 GLU CA C 440 57.310 57.310 58.657 -1.347 17742 2686 1 4 . 1 1 110 110 GLU CB C 440 30.091 30.091 30.003 0.088 17742 2687 1 4 . 1 1 110 110 GLU H H 440 7.929 7.929 8.118 -0.189 17742 2688 1 4 . 1 1 111 111 GLN N N 441 120.829 120.829 114.579 6.250 17742 2689 1 4 . 1 1 111 111 GLN HA H 441 4.341 4.341 4.677 -0.336 17742 2690 1 4 . 1 1 111 111 GLN C C 441 176.214 176.214 176.179 0.035 17742 2691 1 4 . 1 1 111 111 GLN CA C 441 56.103 56.103 54.307 1.796 17742 2692 1 4 . 1 1 111 111 GLN CB C 441 29.607 29.607 29.855 -0.248 17742 2693 1 4 . 1 1 111 111 GLN H H 441 8.434 8.434 7.608 0.826 17742 2694 1 4 . 1 1 112 112 THR N N 442 114.861 114.861 113.930 0.931 17742 2695 1 4 . 1 1 112 112 THR HA H 442 4.258 4.258 4.016 0.242 17742 2696 1 4 . 1 1 112 112 THR C C 442 174.095 174.095 176.051 -1.956 17742 2697 1 4 . 1 1 112 112 THR CA C 442 62.140 62.140 61.577 0.563 17742 2698 1 4 . 1 1 112 112 THR CB C 442 69.870 69.870 69.359 0.511 17742 2699 1 4 . 1 1 112 112 THR H H 442 8.038 8.038 8.003 0.035 17742 2700 1 4 . 1 1 113 113 TYR N N 443 122.709 122.709 119.381 3.328 17742 2701 1 4 . 1 1 113 113 TYR HA H 443 4.552 4.552 4.346 0.206 17742 2702 1 4 . 1 1 113 113 TYR C C 443 175.303 175.303 174.482 0.821 17742 2703 1 4 . 1 1 113 113 TYR CA C 443 57.921 57.921 56.366 1.555 17742 2704 1 4 . 1 1 113 113 TYR CB C 443 38.982 38.982 35.810 3.172 17742 2705 1 4 . 1 1 113 113 TYR H H 443 8.171 8.171 8.224 -0.053 17742 2706 1 4 . 1 1 114 114 GLN N N 444 122.768 122.768 117.911 4.857 17742 2707 1 4 . 1 1 114 114 GLN HA H 444 4.284 4.284 3.774 0.510 17742 2708 1 4 . 1 1 114 114 GLN C C 444 175.372 175.372 174.982 0.390 17742 2709 1 4 . 1 1 114 114 GLN CA C 444 55.543 55.543 56.173 -0.630 17742 2710 1 4 . 1 1 114 114 GLN CB C 444 29.894 29.894 27.508 2.386 17742 2711 1 4 . 1 1 114 114 GLN H H 444 8.202 8.202 7.994 0.208 17742 2712 1 4 . 1 1 115 115 GLU N N 445 122.370 122.370 118.926 3.444 17742 2713 1 4 . 1 1 115 115 GLU HA H 445 4.225 4.225 3.534 0.691 17742 2714 1 4 . 1 1 115 115 GLU C C 445 176.058 176.058 175.615 0.443 17742 2715 1 4 . 1 1 115 115 GLU CA C 445 56.612 56.612 56.412 0.200 17742 2716 1 4 . 1 1 115 115 GLU CB C 445 30.517 30.517 28.413 2.103 17742 2717 1 4 . 1 1 115 115 GLU H H 445 8.371 8.371 7.981 0.390 17742 2718 1 4 . 1 1 116 116 ASP N N 446 121.090 121.090 124.773 -3.683 17742 2719 1 4 . 1 1 116 116 ASP HA H 446 4.595 4.595 4.504 0.091 17742 2720 1 4 . 1 1 116 116 ASP C C 446 175.872 175.872 176.368 -0.496 17742 2721 1 4 . 1 1 116 116 ASP CA C 446 54.382 54.382 55.598 -1.216 17742 2722 1 4 . 1 1 116 116 ASP CB C 446 41.402 41.402 41.625 -0.223 17742 2723 1 4 . 1 1 116 116 ASP H H 446 8.336 8.336 8.038 0.298 17742 2724 1 4 . 1 1 117 117 GLU N N 447 121.977 121.977 119.963 2.014 17742 2725 1 4 . 1 1 117 117 GLU HA H 447 4.575 4.575 4.626 -0.051 17742 2726 1 4 . 1 1 117 117 GLU CA C 447 54.442 54.442 53.294 1.148 17742 2727 1 4 . 1 1 117 117 GLU CB C 447 30.254 30.254 29.309 0.945 17742 2728 1 4 . 1 1 117 117 GLU H H 447 8.194 8.194 8.207 -0.013 17742 2729 1 4 . 1 1 118 118 PRO HA H 448 4.461 4.461 4.698 -0.237 17742 2730 1 4 . 1 1 118 118 PRO C C 448 177.160 177.160 176.391 0.769 17742 2731 1 4 . 1 1 118 118 PRO CA C 448 63.371 63.371 63.241 0.130 17742 2732 1 4 . 1 1 118 118 PRO CB C 448 32.302 32.302 31.563 0.739 17742 2733 1 4 . 1 1 119 119 THR N N 449 114.788 114.788 118.887 -4.099 17742 2734 1 4 . 1 1 119 119 THR HA H 449 4.292 4.292 4.613 -0.321 17742 2735 1 4 . 1 1 119 119 THR C C 449 174.664 174.664 173.660 1.004 17742 2736 1 4 . 1 1 119 119 THR CA C 449 62.117 62.117 60.727 1.390 17742 2737 1 4 . 1 1 119 119 THR CB C 449 69.861 69.861 70.832 -0.971 17742 2738 1 4 . 1 1 119 119 THR H H 449 8.235 8.235 8.717 -0.482 17742 2739 1 4 . 1 1 120 120 ILE N N 450 123.074 123.074 124.844 -1.770 17742 2740 1 4 . 1 1 120 120 ILE HA H 450 4.169 4.169 4.524 -0.355 17742 2741 1 4 . 1 1 120 120 ILE C C 450 175.683 175.683 175.684 -0.001 17742 2742 1 4 . 1 1 120 120 ILE CA C 450 60.987 60.987 61.094 -0.108 17742 2743 1 4 . 1 1 120 120 ILE CB C 450 38.983 38.983 38.103 0.880 17742 2744 1 4 . 1 1 120 120 ILE H H 450 8.043 8.043 8.719 -0.676 17742 2745 1 4 . 1 1 121 121 ALA N N 451 128.011 128.011 131.534 -3.523 17742 2746 1 4 . 1 1 121 121 ALA HA H 451 4.332 4.332 4.395 -0.063 17742 2747 1 4 . 1 1 121 121 ALA C C 451 177.333 177.333 177.073 0.260 17742 2748 1 4 . 1 1 121 121 ALA CA C 451 52.364 52.364 52.826 -0.462 17742 2749 1 4 . 1 1 121 121 ALA CB C 451 19.534 19.534 19.777 -0.243 17742 2750 1 4 . 1 1 121 121 ALA H H 451 8.277 8.277 8.952 -0.675 17742 2751 1 4 . 1 1 122 122 SER N N 452 116.575 116.575 112.840 3.735 17742 2752 1 4 . 1 1 122 122 SER HA H 452 4.672 4.672 4.735 -0.063 17742 2753 1 4 . 1 1 122 122 SER CA C 452 56.230 56.230 56.345 -0.115 17742 2754 1 4 . 1 1 122 122 SER CB C 452 63.460 63.460 63.998 -0.538 17742 2755 1 4 . 1 1 122 122 SER H H 452 8.161 8.161 7.555 0.606 17742 2756 1 4 . 1 1 123 123 PRO HA H 453 4.395 4.395 4.283 0.112 17742 2757 1 4 . 1 1 123 123 PRO C C 453 176.993 176.993 176.517 0.476 17742 2758 1 4 . 1 1 123 123 PRO CA C 453 63.303 63.303 63.106 0.197 17742 2759 1 4 . 1 1 123 123 PRO CB C 453 32.149 32.149 31.925 0.224 17742 2760 1 4 . 1 1 124 124 VAL N N 454 119.733 119.733 124.776 -5.043 17742 2761 1 4 . 1 1 124 124 VAL HA H 454 4.010 4.010 4.022 -0.012 17742 2762 1 4 . 1 1 124 124 VAL CA C 454 62.674 62.674 62.972 -0.298 17742 2763 1 4 . 1 1 124 124 VAL CB C 454 32.669 32.669 31.582 1.087 17742 2764 1 4 . 1 1 124 124 VAL H H 454 8.058 8.058 8.292 -0.234 17742 2765 1 4 . 1 1 125 125 GLY N N 455 111.901 111.901 115.538 -3.637 17742 2766 1 4 . 1 1 125 125 GLY CA C 455 45.152 45.152 44.978 0.174 17742 2767 1 4 . 1 1 125 125 GLY H H 455 8.255 8.255 7.850 0.405 17742 2768 1 4 . 1 1 126 126 TRP N N 456 122.405 122.405 124.540 -2.135 17742 2769 1 4 . 1 1 126 126 TRP HA H 456 4.929 4.929 4.978 -0.049 17742 2770 1 4 . 1 1 126 126 TRP CA C 456 55.029 55.029 54.647 0.382 17742 2771 1 4 . 1 1 126 126 TRP CB C 456 29.383 29.383 30.365 -0.982 17742 2772 1 4 . 1 1 126 126 TRP H H 456 7.906 7.906 8.023 -0.117 17742 2773 1 4 . 1 1 127 127 PRO HA H 457 4.429 4.429 4.593 -0.164 17742 2774 1 4 . 1 1 127 127 PRO C C 457 175.951 175.951 176.316 -0.365 17742 2775 1 4 . 1 1 127 127 PRO CA C 457 63.558 63.558 63.121 0.437 17742 2776 1 4 . 1 1 127 127 PRO CB C 457 31.932 31.932 32.083 -0.151 17742 2777 1 5 . 1 1 5 5 ARG N N 335 123.607 123.607 118.883 4.724 17742 2778 1 5 . 1 1 5 5 ARG HA H 335 4.382 4.382 4.564 -0.182 17742 2779 1 5 . 1 1 5 5 ARG CA C 335 56.926 56.926 55.890 1.036 17742 2780 1 5 . 1 1 5 5 ARG H H 335 9.161 9.161 8.481 0.680 17742 2781 1 5 . 1 1 6 6 LEU N N 336 122.412 122.412 120.810 1.602 17742 2782 1 5 . 1 1 6 6 LEU CB C 336 42.172 42.172 41.606 0.566 17742 2783 1 5 . 1 1 6 6 LEU H H 336 8.775 8.775 7.342 1.433 17742 2784 1 5 . 1 1 7 7 LEU HA H 337 3.669 3.669 4.330 -0.661 17742 2785 1 5 . 1 1 7 7 LEU CA C 337 59.053 59.053 58.648 0.405 17742 2786 1 5 . 1 1 7 7 LEU CB C 337 40.447 40.447 42.060 -1.613 17742 2787 1 5 . 1 1 8 8 TRP N N 338 114.197 114.197 115.230 -1.033 17742 2788 1 5 . 1 1 8 8 TRP HA H 338 3.747 3.747 4.586 -0.839 17742 2789 1 5 . 1 1 8 8 TRP CA C 338 60.071 60.071 58.980 1.091 17742 2790 1 5 . 1 1 8 8 TRP CB C 338 28.481 28.481 28.487 -0.006 17742 2791 1 5 . 1 1 8 8 TRP H H 338 7.595 7.595 7.463 0.132 17742 2792 1 5 . 1 1 9 9 ASP HA H 339 3.648 3.648 4.621 -0.973 17742 2793 1 5 . 1 1 9 9 ASP C C 339 177.491 177.491 177.941 -0.450 17742 2794 1 5 . 1 1 9 9 ASP CA C 339 56.197 56.197 57.176 -0.979 17742 2795 1 5 . 1 1 9 9 ASP CB C 339 41.702 41.702 40.901 0.801 17742 2796 1 5 . 1 1 10 10 TYR N N 340 120.786 120.786 120.812 -0.026 17742 2797 1 5 . 1 1 10 10 TYR HA H 340 3.851 3.851 4.065 -0.214 17742 2798 1 5 . 1 1 10 10 TYR C C 340 177.016 177.016 177.299 -0.283 17742 2799 1 5 . 1 1 10 10 TYR CA C 340 61.921 61.921 61.349 0.572 17742 2800 1 5 . 1 1 10 10 TYR CB C 340 39.202 39.202 38.705 0.497 17742 2801 1 5 . 1 1 10 10 TYR H H 340 7.929 7.929 7.640 0.289 17742 2802 1 5 . 1 1 11 11 VAL N N 341 114.828 114.828 119.159 -4.331 17742 2803 1 5 . 1 1 11 11 VAL HA H 341 2.982 2.982 3.442 -0.460 17742 2804 1 5 . 1 1 11 11 VAL C C 341 176.795 176.795 176.995 -0.200 17742 2805 1 5 . 1 1 11 11 VAL CA C 341 66.855 66.855 66.080 0.775 17742 2806 1 5 . 1 1 11 11 VAL CB C 341 31.152 31.152 31.910 -0.758 17742 2807 1 5 . 1 1 11 11 VAL H H 341 8.291 8.291 8.379 -0.088 17742 2808 1 5 . 1 1 12 12 TYR N N 342 119.177 119.177 119.333 -0.156 17742 2809 1 5 . 1 1 12 12 TYR HA H 342 3.617 3.617 3.834 -0.217 17742 2810 1 5 . 1 1 12 12 TYR C C 342 178.765 178.765 176.759 2.006 17742 2811 1 5 . 1 1 12 12 TYR CA C 342 62.960 62.960 61.002 1.958 17742 2812 1 5 . 1 1 12 12 TYR CB C 342 38.232 38.232 38.282 -0.050 17742 2813 1 5 . 1 1 12 12 TYR H H 342 7.712 7.712 7.686 0.026 17742 2814 1 5 . 1 1 13 13 GLN N N 343 118.873 118.873 118.160 0.713 17742 2815 1 5 . 1 1 13 13 GLN HA H 343 3.833 3.833 3.976 -0.143 17742 2816 1 5 . 1 1 13 13 GLN C C 343 179.917 179.917 178.402 1.515 17742 2817 1 5 . 1 1 13 13 GLN CA C 343 58.821 58.821 58.133 0.688 17742 2818 1 5 . 1 1 13 13 GLN CB C 343 27.649 27.649 28.728 -1.079 17742 2819 1 5 . 1 1 13 13 GLN H H 343 8.076 8.076 7.417 0.659 17742 2820 1 5 . 1 1 14 14 LEU N N 344 121.381 121.381 120.252 1.129 17742 2821 1 5 . 1 1 14 14 LEU HA H 344 3.611 3.611 3.719 -0.108 17742 2822 1 5 . 1 1 14 14 LEU C C 344 179.861 179.861 179.181 0.680 17742 2823 1 5 . 1 1 14 14 LEU CA C 344 58.121 58.121 57.127 0.994 17742 2824 1 5 . 1 1 14 14 LEU CB C 344 41.382 41.382 41.427 -0.045 17742 2825 1 5 . 1 1 14 14 LEU H H 344 7.772 7.772 7.356 0.416 17742 2826 1 5 . 1 1 15 15 LEU N N 345 116.801 116.801 116.942 -0.141 17742 2827 1 5 . 1 1 15 15 LEU HA H 345 3.513 3.513 3.964 -0.451 17742 2828 1 5 . 1 1 15 15 LEU C C 345 178.221 178.221 177.916 0.305 17742 2829 1 5 . 1 1 15 15 LEU CA C 345 56.568 56.568 56.719 -0.151 17742 2830 1 5 . 1 1 15 15 LEU CB C 345 41.431 41.431 41.119 0.312 17742 2831 1 5 . 1 1 15 15 LEU H H 345 7.546 7.546 7.302 0.244 17742 2832 1 5 . 1 1 16 16 SER N N 346 112.511 112.511 111.410 1.101 17742 2833 1 5 . 1 1 16 16 SER HA H 346 4.542 4.542 4.494 0.048 17742 2834 1 5 . 1 1 16 16 SER C C 346 172.510 172.510 174.006 -1.496 17742 2835 1 5 . 1 1 16 16 SER CA C 346 58.891 58.891 58.829 0.062 17742 2836 1 5 . 1 1 16 16 SER CB C 346 63.993 63.993 63.770 0.223 17742 2837 1 5 . 1 1 16 16 SER H H 346 7.277 7.277 7.323 -0.046 17742 2838 1 5 . 1 1 17 17 ASP N N 347 122.234 122.234 120.588 1.646 17742 2839 1 5 . 1 1 17 17 ASP HA H 347 4.969 4.969 4.934 0.035 17742 2840 1 5 . 1 1 17 17 ASP C C 347 175.703 175.703 176.156 -0.453 17742 2841 1 5 . 1 1 17 17 ASP CA C 347 52.761 52.761 53.085 -0.324 17742 2842 1 5 . 1 1 17 17 ASP CB C 347 43.427 43.427 43.730 -0.303 17742 2843 1 5 . 1 1 17 17 ASP H H 347 7.353 7.353 7.512 -0.159 17742 2844 1 5 . 1 1 18 18 SER N N 348 120.139 120.139 119.617 0.522 17742 2845 1 5 . 1 1 18 18 SER HA H 348 4.371 4.371 4.317 0.054 17742 2846 1 5 . 1 1 18 18 SER C C 348 176.259 176.259 176.268 -0.009 17742 2847 1 5 . 1 1 18 18 SER CA C 348 61.131 61.131 60.107 1.024 17742 2848 1 5 . 1 1 18 18 SER CB C 348 63.177 63.177 63.175 0.002 17742 2849 1 5 . 1 1 18 18 SER H H 348 8.691 8.691 8.834 -0.143 17742 2850 1 5 . 1 1 19 19 ARG N N 349 122.716 122.716 122.799 -0.083 17742 2851 1 5 . 1 1 19 19 ARG HA H 349 4.114 4.114 3.868 0.246 17742 2852 1 5 . 1 1 19 19 ARG C C 349 178.154 178.154 177.739 0.415 17742 2853 1 5 . 1 1 19 19 ARG CA C 349 58.531 58.531 58.955 -0.424 17742 2854 1 5 . 1 1 19 19 ARG CB C 349 29.794 29.794 29.694 0.100 17742 2855 1 5 . 1 1 19 19 ARG H H 349 8.586 8.586 7.780 0.806 17742 2856 1 5 . 1 1 20 20 TYR N N 350 116.201 116.201 116.273 -0.072 17742 2857 1 5 . 1 1 20 20 TYR HA H 350 4.883 4.883 4.910 -0.027 17742 2858 1 5 . 1 1 20 20 TYR C C 350 177.029 177.029 176.222 0.807 17742 2859 1 5 . 1 1 20 20 TYR CA C 350 58.741 58.741 56.370 2.371 17742 2860 1 5 . 1 1 20 20 TYR CB C 350 37.642 37.642 36.438 1.204 17742 2861 1 5 . 1 1 20 20 TYR H H 350 8.291 8.291 7.432 0.859 17742 2862 1 5 . 1 1 21 21 GLU N N 351 120.803 120.803 120.239 0.564 17742 2863 1 5 . 1 1 21 21 GLU HA H 351 4.466 4.466 4.246 0.220 17742 2864 1 5 . 1 1 21 21 GLU C C 351 176.324 176.324 177.049 -0.725 17742 2865 1 5 . 1 1 21 21 GLU CA C 351 59.132 59.132 58.863 0.269 17742 2866 1 5 . 1 1 21 21 GLU CB C 351 29.864 29.864 29.164 0.700 17742 2867 1 5 . 1 1 21 21 GLU H H 351 7.513 7.513 7.714 -0.201 17742 2868 1 5 . 1 1 22 22 ASN N N 352 114.531 114.531 114.914 -0.383 17742 2869 1 5 . 1 1 22 22 ASN HA H 352 4.492 4.492 4.552 -0.060 17742 2870 1 5 . 1 1 22 22 ASN C C 352 174.497 174.497 175.809 -1.312 17742 2871 1 5 . 1 1 22 22 ASN CA C 352 54.122 54.122 53.468 0.654 17742 2872 1 5 . 1 1 22 22 ASN CB C 352 36.935 36.935 38.550 -1.615 17742 2873 1 5 . 1 1 22 22 ASN H H 352 8.649 8.649 8.285 0.364 17742 2874 1 5 . 1 1 23 23 PHE N N 353 115.501 115.501 117.629 -2.128 17742 2875 1 5 . 1 1 23 23 PHE HA H 353 4.751 4.751 4.696 0.055 17742 2876 1 5 . 1 1 23 23 PHE C C 353 176.442 176.442 175.099 1.343 17742 2877 1 5 . 1 1 23 23 PHE CB C 353 41.502 41.502 41.938 -0.436 17742 2878 1 5 . 1 1 23 23 PHE H H 353 8.555 8.555 7.877 0.678 17742 2879 1 5 . 1 1 24 24 ILE N N 354 120.734 120.734 117.620 3.114 17742 2880 1 5 . 1 1 24 24 ILE HA H 354 5.059 5.059 5.082 -0.023 17742 2881 1 5 . 1 1 24 24 ILE C C 354 179.332 179.332 173.206 6.126 17742 2882 1 5 . 1 1 24 24 ILE CA C 354 59.831 59.831 60.338 -0.507 17742 2883 1 5 . 1 1 24 24 ILE CB C 354 40.623 40.623 41.893 -1.270 17742 2884 1 5 . 1 1 24 24 ILE H H 354 8.428 8.428 8.835 -0.407 17742 2885 1 5 . 1 1 25 25 ARG N N 355 121.187 121.187 122.767 -1.580 17742 2886 1 5 . 1 1 25 25 ARG HA H 355 4.904 4.904 4.872 0.032 17742 2887 1 5 . 1 1 25 25 ARG C C 355 175.152 175.152 174.252 0.900 17742 2888 1 5 . 1 1 25 25 ARG CA C 355 54.529 54.529 54.347 0.182 17742 2889 1 5 . 1 1 25 25 ARG CB C 355 33.599 33.599 33.394 0.205 17742 2890 1 5 . 1 1 25 25 ARG H H 355 8.671 8.671 8.822 -0.151 17742 2891 1 5 . 1 1 26 26 TRP N N 356 122.024 122.024 122.542 -0.518 17742 2892 1 5 . 1 1 26 26 TRP HA H 356 4.884 4.884 4.676 0.208 17742 2893 1 5 . 1 1 26 26 TRP C C 356 176.642 176.642 176.688 -0.046 17742 2894 1 5 . 1 1 26 26 TRP CA C 356 57.960 57.960 58.156 -0.196 17742 2895 1 5 . 1 1 26 26 TRP CB C 356 30.634 30.634 29.809 0.825 17742 2896 1 5 . 1 1 26 26 TRP H H 356 9.159 9.159 8.980 0.179 17742 2897 1 5 . 1 1 27 27 GLU N N 357 125.331 125.331 122.641 2.690 17742 2898 1 5 . 1 1 27 27 GLU HA H 357 4.681 4.681 4.522 0.159 17742 2899 1 5 . 1 1 27 27 GLU C C 357 176.775 176.775 176.622 0.153 17742 2900 1 5 . 1 1 27 27 GLU CA C 357 56.990 56.990 57.587 -0.597 17742 2901 1 5 . 1 1 27 27 GLU CB C 357 31.579 31.579 31.211 0.368 17742 2902 1 5 . 1 1 27 27 GLU H H 357 9.504 9.504 8.998 0.506 17742 2903 1 5 . 1 1 28 28 ASP N N 358 116.213 116.213 121.311 -5.098 17742 2904 1 5 . 1 1 28 28 ASP HA H 358 4.771 4.771 5.014 -0.243 17742 2905 1 5 . 1 1 28 28 ASP C C 358 176.167 176.167 175.552 0.615 17742 2906 1 5 . 1 1 28 28 ASP CA C 358 53.541 53.541 53.968 -0.427 17742 2907 1 5 . 1 1 28 28 ASP CB C 358 41.932 41.932 41.522 0.410 17742 2908 1 5 . 1 1 28 28 ASP H H 358 7.846 7.846 8.701 -0.855 17742 2909 1 5 . 1 1 29 29 LYS N N 359 127.762 127.762 123.984 3.778 17742 2910 1 5 . 1 1 29 29 LYS HA H 359 3.157 3.157 2.943 0.214 17742 2911 1 5 . 1 1 29 29 LYS C C 359 178.776 178.776 177.701 1.075 17742 2912 1 5 . 1 1 29 29 LYS CA C 359 60.229 60.229 59.443 0.786 17742 2913 1 5 . 1 1 29 29 LYS CB C 359 32.734 32.734 32.059 0.675 17742 2914 1 5 . 1 1 29 29 LYS H H 359 9.216 9.216 8.624 0.592 17742 2915 1 5 . 1 1 30 30 GLU N N 360 119.601 119.601 117.863 1.738 17742 2916 1 5 . 1 1 30 30 GLU HA H 360 3.925 3.925 4.006 -0.081 17742 2917 1 5 . 1 1 30 30 GLU C C 360 178.684 178.684 177.492 1.192 17742 2918 1 5 . 1 1 30 30 GLU CA C 360 59.570 59.570 59.072 0.498 17742 2919 1 5 . 1 1 30 30 GLU CB C 360 29.177 29.177 29.296 -0.119 17742 2920 1 5 . 1 1 30 30 GLU H H 360 8.340 8.340 8.351 -0.011 17742 2921 1 5 . 1 1 31 31 SER N N 361 113.301 113.301 113.094 0.207 17742 2922 1 5 . 1 1 31 31 SER HA H 361 4.494 4.494 4.396 0.098 17742 2923 1 5 . 1 1 31 31 SER C C 361 172.357 172.357 174.482 -2.125 17742 2924 1 5 . 1 1 31 31 SER CA C 361 58.807 58.807 59.403 -0.596 17742 2925 1 5 . 1 1 31 31 SER CB C 361 63.768 63.768 63.134 0.634 17742 2926 1 5 . 1 1 31 31 SER H H 361 7.463 7.463 8.260 -0.797 17742 2927 1 5 . 1 1 32 32 LYS N N 362 115.170 115.170 113.847 1.323 17742 2928 1 5 . 1 1 32 32 LYS HA H 362 3.910 3.910 4.280 -0.370 17742 2929 1 5 . 1 1 32 32 LYS C C 362 175.500 175.500 175.111 0.389 17742 2930 1 5 . 1 1 32 32 LYS CA C 362 57.630 57.630 56.970 0.660 17742 2931 1 5 . 1 1 32 32 LYS CB C 362 29.801 29.801 29.970 -0.169 17742 2932 1 5 . 1 1 32 32 LYS H H 362 7.752 7.752 7.908 -0.156 17742 2933 1 5 . 1 1 33 33 ILE N N 363 118.274 118.274 121.132 -2.858 17742 2934 1 5 . 1 1 33 33 ILE HA H 363 5.375 5.375 5.042 0.333 17742 2935 1 5 . 1 1 33 33 ILE C C 363 177.068 177.068 175.857 1.211 17742 2936 1 5 . 1 1 33 33 ILE CA C 363 60.428 60.428 60.333 0.095 17742 2937 1 5 . 1 1 33 33 ILE CB C 363 40.206 40.206 37.797 2.409 17742 2938 1 5 . 1 1 33 33 ILE H H 363 8.262 8.262 8.124 0.138 17742 2939 1 5 . 1 1 34 34 PHE N N 364 128.285 128.285 126.579 1.706 17742 2940 1 5 . 1 1 34 34 PHE HA H 364 5.566 5.566 5.312 0.254 17742 2941 1 5 . 1 1 34 34 PHE C C 364 179.560 179.560 172.998 6.562 17742 2942 1 5 . 1 1 34 34 PHE CA C 364 55.080 55.080 55.185 -0.105 17742 2943 1 5 . 1 1 34 34 PHE CB C 364 44.097 44.097 42.644 1.453 17742 2944 1 5 . 1 1 34 34 PHE H H 364 9.936 9.936 9.260 0.676 17742 2945 1 5 . 1 1 35 35 ARG N N 365 120.953 120.953 123.529 -2.576 17742 2946 1 5 . 1 1 35 35 ARG HA H 365 5.484 5.484 4.548 0.936 17742 2947 1 5 . 1 1 35 35 ARG C C 365 176.522 176.522 174.597 1.925 17742 2948 1 5 . 1 1 35 35 ARG CA C 365 53.584 53.584 53.683 -0.099 17742 2949 1 5 . 1 1 35 35 ARG CB C 365 36.439 36.439 33.402 3.037 17742 2950 1 5 . 1 1 35 35 ARG H H 365 9.430 9.430 9.122 0.308 17742 2951 1 5 . 1 1 36 36 ILE N N 366 125.455 125.455 128.074 -2.619 17742 2952 1 5 . 1 1 36 36 ILE HA H 366 4.201 4.201 3.958 0.243 17742 2953 1 5 . 1 1 36 36 ILE C C 366 173.923 173.923 174.650 -0.727 17742 2954 1 5 . 1 1 36 36 ILE CA C 366 63.110 63.110 62.469 0.641 17742 2955 1 5 . 1 1 36 36 ILE CB C 366 37.964 37.964 37.156 0.808 17742 2956 1 5 . 1 1 36 36 ILE H H 366 8.639 8.639 7.917 0.722 17742 2957 1 5 . 1 1 37 37 VAL N N 367 129.251 129.251 126.238 3.013 17742 2958 1 5 . 1 1 37 37 VAL HA H 367 3.674 3.674 3.839 -0.165 17742 2959 1 5 . 1 1 37 37 VAL C C 367 175.948 175.948 176.168 -0.220 17742 2960 1 5 . 1 1 37 37 VAL CA C 367 64.171 64.171 64.844 -0.673 17742 2961 1 5 . 1 1 37 37 VAL CB C 367 32.870 32.870 32.566 0.304 17742 2962 1 5 . 1 1 37 37 VAL H H 367 7.839 7.839 8.474 -0.635 17742 2963 1 5 . 1 1 38 38 ASP N N 368 114.991 114.991 119.195 -4.204 17742 2964 1 5 . 1 1 38 38 ASP HA H 368 5.213 5.213 5.053 0.160 17742 2965 1 5 . 1 1 38 38 ASP CA C 368 50.242 50.242 50.515 -0.273 17742 2966 1 5 . 1 1 38 38 ASP CB C 368 42.169 42.169 41.676 0.493 17742 2967 1 5 . 1 1 38 38 ASP H H 368 7.279 7.279 8.076 -0.797 17742 2968 1 5 . 1 1 39 39 PRO HA H 369 3.794 3.794 4.453 -0.659 17742 2969 1 5 . 1 1 39 39 PRO C C 369 178.037 178.037 178.306 -0.269 17742 2970 1 5 . 1 1 39 39 PRO CA C 369 65.619 65.619 65.860 -0.241 17742 2971 1 5 . 1 1 39 39 PRO CB C 369 31.057 31.057 31.984 -0.927 17742 2972 1 5 . 1 1 40 40 ASN N N 370 115.439 115.439 116.360 -0.921 17742 2973 1 5 . 1 1 40 40 ASN HA H 370 4.596 4.596 4.657 -0.061 17742 2974 1 5 . 1 1 40 40 ASN C C 370 178.570 178.570 177.746 0.824 17742 2975 1 5 . 1 1 40 40 ASN CA C 370 56.501 56.501 56.337 0.164 17742 2976 1 5 . 1 1 40 40 ASN CB C 370 38.012 38.012 37.614 0.398 17742 2977 1 5 . 1 1 40 40 ASN H H 370 8.121 8.121 8.566 -0.445 17742 2978 1 5 . 1 1 41 41 GLY N N 371 111.317 111.317 108.812 2.505 17742 2979 1 5 . 1 1 41 41 GLY C C 371 176.090 176.090 176.628 -0.538 17742 2980 1 5 . 1 1 41 41 GLY CA C 371 47.932 47.932 47.032 0.900 17742 2981 1 5 . 1 1 41 41 GLY H H 371 8.622 8.622 8.954 -0.332 17742 2982 1 5 . 1 1 42 42 LEU N N 372 122.892 122.892 123.918 -1.026 17742 2983 1 5 . 1 1 42 42 LEU HA H 372 4.031 4.031 4.234 -0.203 17742 2984 1 5 . 1 1 42 42 LEU C C 372 177.766 177.766 178.853 -1.087 17742 2985 1 5 . 1 1 42 42 LEU CA C 372 57.830 57.830 57.815 0.015 17742 2986 1 5 . 1 1 42 42 LEU CB C 372 42.132 42.132 41.319 0.813 17742 2987 1 5 . 1 1 42 42 LEU H H 372 8.881 8.881 8.673 0.208 17742 2988 1 5 . 1 1 43 43 ALA N N 373 120.112 120.112 121.375 -1.263 17742 2989 1 5 . 1 1 43 43 ALA HA H 373 4.458 4.458 4.138 0.320 17742 2990 1 5 . 1 1 43 43 ALA C C 373 179.093 179.093 180.096 -1.003 17742 2991 1 5 . 1 1 43 43 ALA CA C 373 55.451 55.451 55.165 0.286 17742 2992 1 5 . 1 1 43 43 ALA CB C 373 18.324 18.324 18.479 -0.155 17742 2993 1 5 . 1 1 43 43 ALA H H 373 8.072 8.072 8.759 -0.687 17742 2994 1 5 . 1 1 44 44 ARG N N 374 117.916 117.916 119.159 -1.243 17742 2995 1 5 . 1 1 44 44 ARG HA H 374 4.093 4.093 4.139 -0.046 17742 2996 1 5 . 1 1 44 44 ARG C C 374 179.473 179.473 179.056 0.417 17742 2997 1 5 . 1 1 44 44 ARG CA C 374 59.372 59.372 59.611 -0.239 17742 2998 1 5 . 1 1 44 44 ARG CB C 374 30.114 30.114 30.240 -0.126 17742 2999 1 5 . 1 1 44 44 ARG H H 374 7.769 7.769 7.852 -0.083 17742 3000 1 5 . 1 1 45 45 LEU N N 375 121.489 121.489 120.967 0.522 17742 3001 1 5 . 1 1 45 45 LEU HA H 375 4.007 4.007 4.013 -0.006 17742 3002 1 5 . 1 1 45 45 LEU C C 375 180.049 180.049 179.038 1.011 17742 3003 1 5 . 1 1 45 45 LEU CA C 375 58.390 58.390 58.069 0.321 17742 3004 1 5 . 1 1 45 45 LEU CB C 375 41.552 41.552 41.727 -0.176 17742 3005 1 5 . 1 1 45 45 LEU H H 375 7.903 7.903 8.466 -0.563 17742 3006 1 5 . 1 1 46 46 TRP N N 376 121.466 121.466 121.013 0.453 17742 3007 1 5 . 1 1 46 46 TRP HA H 376 4.089 4.089 3.803 0.286 17742 3008 1 5 . 1 1 46 46 TRP C C 376 177.939 177.939 178.300 -0.361 17742 3009 1 5 . 1 1 46 46 TRP CA C 376 60.022 60.022 60.731 -0.709 17742 3010 1 5 . 1 1 46 46 TRP CB C 376 28.817 28.817 29.035 -0.218 17742 3011 1 5 . 1 1 46 46 TRP H H 376 8.633 8.633 8.898 -0.265 17742 3012 1 5 . 1 1 47 47 GLY N N 377 105.142 105.142 106.444 -1.302 17742 3013 1 5 . 1 1 47 47 GLY C C 377 176.128 176.128 175.882 0.246 17742 3014 1 5 . 1 1 47 47 GLY CA C 377 48.035 48.035 47.006 1.029 17742 3015 1 5 . 1 1 47 47 GLY H H 377 8.828 8.828 8.593 0.235 17742 3016 1 5 . 1 1 48 48 ASN N N 378 120.327 120.327 120.545 -0.218 17742 3017 1 5 . 1 1 48 48 ASN HA H 378 4.402 4.402 4.339 0.063 17742 3018 1 5 . 1 1 48 48 ASN C C 378 178.625 178.625 176.571 2.054 17742 3019 1 5 . 1 1 48 48 ASN CA C 378 56.231 56.231 55.591 0.640 17742 3020 1 5 . 1 1 48 48 ASN CB C 378 38.132 38.132 38.334 -0.202 17742 3021 1 5 . 1 1 48 48 ASN H H 378 8.212 8.212 8.085 0.127 17742 3022 1 5 . 1 1 49 49 HIS N N 379 121.871 121.871 117.956 3.915 17742 3023 1 5 . 1 1 49 49 HIS HA H 379 4.205 4.205 4.258 -0.053 17742 3024 1 5 . 1 1 49 49 HIS C C 379 176.086 176.086 176.471 -0.385 17742 3025 1 5 . 1 1 49 49 HIS CA C 379 59.390 59.390 58.271 1.119 17742 3026 1 5 . 1 1 49 49 HIS CB C 379 29.564 29.564 29.817 -0.254 17742 3027 1 5 . 1 1 49 49 HIS H H 379 8.094 8.094 7.327 0.767 17742 3028 1 5 . 1 1 50 50 LYS N N 380 115.181 115.181 116.312 -1.131 17742 3029 1 5 . 1 1 50 50 LYS HA H 380 3.911 3.911 4.172 -0.261 17742 3030 1 5 . 1 1 50 50 LYS C C 380 175.348 175.348 175.296 0.052 17742 3031 1 5 . 1 1 50 50 LYS CA C 380 53.632 53.632 54.489 -0.857 17742 3032 1 5 . 1 1 50 50 LYS CB C 380 30.742 30.742 31.346 -0.604 17742 3033 1 5 . 1 1 50 50 LYS H H 380 7.482 7.482 7.516 -0.034 17742 3034 1 5 . 1 1 51 51 ASN N N 381 116.362 116.362 113.014 3.348 17742 3035 1 5 . 1 1 51 51 ASN HA H 381 4.259 4.259 4.227 0.032 17742 3036 1 5 . 1 1 51 51 ASN C C 381 174.400 174.400 174.016 0.384 17742 3037 1 5 . 1 1 51 51 ASN CA C 381 54.312 54.312 54.306 0.006 17742 3038 1 5 . 1 1 51 51 ASN CB C 381 37.272 37.272 36.746 0.526 17742 3039 1 5 . 1 1 51 51 ASN H H 381 7.753 7.753 7.738 0.015 17742 3040 1 5 . 1 1 52 52 ARG N N 382 117.723 117.723 118.960 -1.237 17742 3041 1 5 . 1 1 52 52 ARG HA H 382 4.658 4.658 4.586 0.072 17742 3042 1 5 . 1 1 52 52 ARG C C 382 176.209 176.209 176.236 -0.027 17742 3043 1 5 . 1 1 52 52 ARG CA C 382 53.668 53.668 53.505 0.162 17742 3044 1 5 . 1 1 52 52 ARG CB C 382 32.212 32.212 31.626 0.586 17742 3045 1 5 . 1 1 52 52 ARG H H 382 8.476 8.476 8.093 0.383 17742 3046 1 5 . 1 1 53 53 THR N N 383 114.109 114.109 117.181 -3.072 17742 3047 1 5 . 1 1 53 53 THR HA H 383 4.221 4.221 4.251 -0.030 17742 3048 1 5 . 1 1 53 53 THR C C 383 174.644 174.644 175.308 -0.664 17742 3049 1 5 . 1 1 53 53 THR CA C 383 62.187 62.187 63.599 -1.412 17742 3050 1 5 . 1 1 53 53 THR CB C 383 69.710 69.710 68.818 0.892 17742 3051 1 5 . 1 1 53 53 THR H H 383 8.333 8.333 8.453 -0.120 17742 3052 1 5 . 1 1 54 54 ASN N N 384 118.768 118.768 120.104 -1.336 17742 3053 1 5 . 1 1 54 54 ASN HA H 384 4.609 4.609 4.787 -0.178 17742 3054 1 5 . 1 1 54 54 ASN C C 384 174.975 174.975 174.543 0.432 17742 3055 1 5 . 1 1 54 54 ASN CA C 384 53.193 53.193 52.205 0.988 17742 3056 1 5 . 1 1 54 54 ASN CB C 384 37.632 37.632 36.505 1.127 17742 3057 1 5 . 1 1 54 54 ASN H H 384 8.521 8.521 8.562 -0.041 17742 3058 1 5 . 1 1 55 55 MET N N 385 119.621 119.621 121.151 -1.530 17742 3059 1 5 . 1 1 55 55 MET HA H 385 4.566 4.566 4.405 0.161 17742 3060 1 5 . 1 1 55 55 MET C C 385 175.078 175.078 175.331 -0.253 17742 3061 1 5 . 1 1 55 55 MET CA C 385 55.298 55.298 56.295 -0.997 17742 3062 1 5 . 1 1 55 55 MET CB C 385 31.244 31.244 33.592 -2.348 17742 3063 1 5 . 1 1 55 55 MET H H 385 8.162 8.162 7.720 0.442 17742 3064 1 5 . 1 1 56 56 THR N N 386 113.114 113.114 120.738 -7.624 17742 3065 1 5 . 1 1 56 56 THR HA H 386 4.824 4.824 4.892 -0.068 17742 3066 1 5 . 1 1 56 56 THR C C 386 175.549 175.549 175.365 0.184 17742 3067 1 5 . 1 1 56 56 THR CA C 386 59.060 59.060 60.920 -1.860 17742 3068 1 5 . 1 1 56 56 THR CB C 386 72.290 72.290 71.790 0.500 17742 3069 1 5 . 1 1 56 56 THR H H 386 7.031 7.031 7.987 -0.956 17742 3070 1 5 . 1 1 57 57 TYR N N 387 123.401 123.401 126.092 -2.691 17742 3071 1 5 . 1 1 57 57 TYR HA H 387 4.134 4.134 4.206 -0.072 17742 3072 1 5 . 1 1 57 57 TYR C C 387 177.304 177.304 177.154 0.150 17742 3073 1 5 . 1 1 57 57 TYR CA C 387 62.300 62.300 63.206 -0.907 17742 3074 1 5 . 1 1 57 57 TYR CB C 387 37.359 37.359 38.763 -1.404 17742 3075 1 5 . 1 1 57 57 TYR H H 387 9.691 9.691 9.182 0.509 17742 3076 1 5 . 1 1 58 58 GLU N N 388 120.999 120.999 117.914 3.085 17742 3077 1 5 . 1 1 58 58 GLU HA H 388 3.823 3.823 4.137 -0.314 17742 3078 1 5 . 1 1 58 58 GLU C C 388 179.213 179.213 179.192 0.021 17742 3079 1 5 . 1 1 58 58 GLU CA C 388 60.477 60.477 59.920 0.557 17742 3080 1 5 . 1 1 58 58 GLU CB C 388 28.895 28.895 28.641 0.254 17742 3081 1 5 . 1 1 58 58 GLU H H 388 8.838 8.838 9.224 -0.386 17742 3082 1 5 . 1 1 59 59 LYS N N 389 118.962 118.962 118.892 0.070 17742 3083 1 5 . 1 1 59 59 LYS HA H 389 3.939 3.939 4.209 -0.270 17742 3084 1 5 . 1 1 59 59 LYS C C 389 178.797 178.797 178.835 -0.038 17742 3085 1 5 . 1 1 59 59 LYS CA C 389 60.065 60.065 58.703 1.362 17742 3086 1 5 . 1 1 59 59 LYS CB C 389 33.378 33.378 32.670 0.708 17742 3087 1 5 . 1 1 59 59 LYS H H 389 7.506 7.506 7.990 -0.484 17742 3088 1 5 . 1 1 60 60 MET N N 390 120.087 120.087 120.106 -0.019 17742 3089 1 5 . 1 1 60 60 MET HA H 390 3.869 3.869 4.270 -0.401 17742 3090 1 5 . 1 1 60 60 MET C C 390 178.146 178.146 177.232 0.914 17742 3091 1 5 . 1 1 60 60 MET CA C 390 59.776 59.776 58.303 1.472 17742 3092 1 5 . 1 1 60 60 MET CB C 390 33.462 33.462 32.817 0.645 17742 3093 1 5 . 1 1 60 60 MET H H 390 8.051 8.051 8.147 -0.096 17742 3094 1 5 . 1 1 61 61 SER N N 391 114.537 114.537 115.211 -0.674 17742 3095 1 5 . 1 1 61 61 SER HA H 391 3.786 3.786 3.910 -0.124 17742 3096 1 5 . 1 1 61 61 SER C C 391 176.380 176.380 176.156 0.224 17742 3097 1 5 . 1 1 61 61 SER CA C 391 61.600 61.600 61.397 0.203 17742 3098 1 5 . 1 1 61 61 SER CB C 391 62.251 62.251 62.712 -0.461 17742 3099 1 5 . 1 1 61 61 SER H H 391 8.853 8.853 8.638 0.215 17742 3100 1 5 . 1 1 62 62 ARG N N 392 122.214 122.214 121.427 0.787 17742 3101 1 5 . 1 1 62 62 ARG HA H 392 3.928 3.928 4.090 -0.162 17742 3102 1 5 . 1 1 62 62 ARG C C 392 178.732 178.732 178.220 0.512 17742 3103 1 5 . 1 1 62 62 ARG CA C 392 59.490 59.490 58.504 0.986 17742 3104 1 5 . 1 1 62 62 ARG CB C 392 30.207 30.207 29.471 0.736 17742 3105 1 5 . 1 1 62 62 ARG H H 392 7.471 7.471 7.455 0.016 17742 3106 1 5 . 1 1 63 63 ALA N N 393 121.091 121.091 121.503 -0.412 17742 3107 1 5 . 1 1 63 63 ALA HA H 393 4.162 4.162 4.202 -0.040 17742 3108 1 5 . 1 1 63 63 ALA C C 393 179.699 179.699 179.376 0.323 17742 3109 1 5 . 1 1 63 63 ALA CA C 393 54.722 54.722 54.403 0.319 17742 3110 1 5 . 1 1 63 63 ALA CB C 393 18.154 18.154 18.375 -0.221 17742 3111 1 5 . 1 1 63 63 ALA H H 393 7.376 7.376 7.460 -0.084 17742 3112 1 5 . 1 1 64 64 LEU N N 394 117.568 117.568 118.927 -1.359 17742 3113 1 5 . 1 1 64 64 LEU HA H 394 3.777 3.777 3.089 0.688 17742 3114 1 5 . 1 1 64 64 LEU C C 394 178.085 178.085 178.602 -0.517 17742 3115 1 5 . 1 1 64 64 LEU CA C 394 58.075 58.075 56.833 1.242 17742 3116 1 5 . 1 1 64 64 LEU CB C 394 41.052 41.052 41.173 -0.121 17742 3117 1 5 . 1 1 64 64 LEU H H 394 7.853 7.853 7.121 0.732 17742 3118 1 5 . 1 1 65 65 ARG N N 395 116.111 116.111 118.690 -2.579 17742 3119 1 5 . 1 1 65 65 ARG HA H 395 3.529 3.529 4.133 -0.604 17742 3120 1 5 . 1 1 65 65 ARG C C 395 179.519 179.519 178.783 0.736 17742 3121 1 5 . 1 1 65 65 ARG CA C 395 59.133 59.133 58.851 0.282 17742 3122 1 5 . 1 1 65 65 ARG CB C 395 30.004 30.004 29.504 0.500 17742 3123 1 5 . 1 1 65 65 ARG H H 395 7.521 7.521 8.272 -0.751 17742 3124 1 5 . 1 1 66 66 HIS N N 396 118.081 118.081 117.816 0.265 17742 3125 1 5 . 1 1 66 66 HIS HA H 396 4.436 4.436 4.493 -0.057 17742 3126 1 5 . 1 1 66 66 HIS C C 396 177.826 177.826 177.894 -0.068 17742 3127 1 5 . 1 1 66 66 HIS CA C 396 59.063 59.063 59.926 -0.863 17742 3128 1 5 . 1 1 66 66 HIS CB C 396 30.154 30.154 30.235 -0.081 17742 3129 1 5 . 1 1 66 66 HIS H H 396 7.241 7.241 7.697 -0.456 17742 3130 1 5 . 1 1 67 67 TYR N N 397 116.301 116.301 118.431 -2.130 17742 3131 1 5 . 1 1 67 67 TYR HA H 397 4.128 4.128 4.182 -0.054 17742 3132 1 5 . 1 1 67 67 TYR C C 397 179.075 179.075 177.954 1.121 17742 3133 1 5 . 1 1 67 67 TYR CA C 397 61.525 61.525 59.377 2.148 17742 3134 1 5 . 1 1 67 67 TYR CB C 397 37.522 37.522 36.715 0.807 17742 3135 1 5 . 1 1 67 67 TYR H H 397 7.532 7.532 7.732 -0.200 17742 3136 1 5 . 1 1 68 68 TYR N N 398 121.389 121.389 117.658 3.731 17742 3137 1 5 . 1 1 68 68 TYR HA H 398 5.474 5.474 4.756 0.718 17742 3138 1 5 . 1 1 68 68 TYR C C 398 172.285 172.285 178.136 -5.851 17742 3139 1 5 . 1 1 68 68 TYR CA C 398 57.651 57.651 60.313 -2.662 17742 3140 1 5 . 1 1 68 68 TYR CB C 398 37.055 37.055 37.846 -0.791 17742 3141 1 5 . 1 1 68 68 TYR H H 398 8.061 8.061 7.886 0.175 17742 3142 1 5 . 1 1 69 69 LYS N N 399 121.098 121.098 118.209 2.889 17742 3143 1 5 . 1 1 69 69 LYS HA H 399 4.125 4.125 4.273 -0.148 17742 3144 1 5 . 1 1 69 69 LYS C C 399 178.122 178.122 177.880 0.242 17742 3145 1 5 . 1 1 69 69 LYS CA C 399 58.801 58.801 57.155 1.646 17742 3146 1 5 . 1 1 69 69 LYS CB C 399 32.242 32.242 32.388 -0.146 17742 3147 1 5 . 1 1 69 69 LYS H H 399 7.799 7.799 7.931 -0.132 17742 3148 1 5 . 1 1 70 70 LEU N N 400 116.117 116.117 118.815 -2.698 17742 3149 1 5 . 1 1 70 70 LEU HA H 400 4.312 4.312 4.275 0.037 17742 3150 1 5 . 1 1 70 70 LEU C C 400 175.903 175.903 176.182 -0.279 17742 3151 1 5 . 1 1 70 70 LEU CA C 400 54.642 54.642 54.967 -0.325 17742 3152 1 5 . 1 1 70 70 LEU CB C 400 42.796 42.796 41.218 1.579 17742 3153 1 5 . 1 1 70 70 LEU H H 400 7.257 7.257 8.420 -1.163 17742 3154 1 5 . 1 1 71 71 ASN N N 401 115.181 115.181 112.852 2.329 17742 3155 1 5 . 1 1 71 71 ASN HA H 401 4.368 4.368 4.355 0.013 17742 3156 1 5 . 1 1 71 71 ASN C C 401 173.597 173.597 175.465 -1.868 17742 3157 1 5 . 1 1 71 71 ASN CA C 401 54.622 54.622 54.239 0.383 17742 3158 1 5 . 1 1 71 71 ASN CB C 401 37.252 37.252 35.822 1.430 17742 3159 1 5 . 1 1 71 71 ASN H H 401 8.061 8.061 8.293 -0.232 17742 3160 1 5 . 1 1 72 72 ILE N N 402 114.031 114.031 117.141 -3.110 17742 3161 1 5 . 1 1 72 72 ILE HA H 402 4.128 4.128 3.974 0.154 17742 3162 1 5 . 1 1 72 72 ILE C C 402 176.467 176.467 175.365 1.102 17742 3163 1 5 . 1 1 72 72 ILE CA C 402 63.720 63.720 63.834 -0.114 17742 3164 1 5 . 1 1 72 72 ILE CB C 402 40.491 40.491 39.118 1.373 17742 3165 1 5 . 1 1 72 72 ILE H H 402 8.104 8.104 8.264 -0.160 17742 3166 1 5 . 1 1 73 73 ILE N N 403 116.973 116.973 117.055 -0.082 17742 3167 1 5 . 1 1 73 73 ILE HA H 403 5.014 5.014 5.275 -0.261 17742 3168 1 5 . 1 1 73 73 ILE C C 403 174.039 174.039 173.853 0.186 17742 3169 1 5 . 1 1 73 73 ILE CA C 403 59.357 59.357 59.336 0.021 17742 3170 1 5 . 1 1 73 73 ILE CB C 403 43.362 43.362 41.961 1.401 17742 3171 1 5 . 1 1 73 73 ILE H H 403 7.099 7.099 7.459 -0.360 17742 3172 1 5 . 1 1 74 74 ARG N N 404 123.639 123.639 125.227 -1.588 17742 3173 1 5 . 1 1 74 74 ARG HA H 404 4.771 4.771 5.069 -0.298 17742 3174 1 5 . 1 1 74 74 ARG C C 404 174.917 174.917 174.014 0.903 17742 3175 1 5 . 1 1 74 74 ARG CA C 404 54.261 54.261 54.310 -0.049 17742 3176 1 5 . 1 1 74 74 ARG CB C 404 34.689 34.689 34.010 0.679 17742 3177 1 5 . 1 1 74 74 ARG H H 404 8.983 8.983 8.286 0.697 17742 3178 1 5 . 1 1 75 75 LYS N N 405 125.665 125.665 121.732 3.933 17742 3179 1 5 . 1 1 75 75 LYS HA H 405 4.071 4.071 4.798 -0.727 17742 3180 1 5 . 1 1 75 75 LYS C C 405 176.525 176.525 176.207 0.318 17742 3181 1 5 . 1 1 75 75 LYS CA C 405 56.470 56.470 55.788 0.682 17742 3182 1 5 . 1 1 75 75 LYS CB C 405 32.649 32.649 33.183 -0.534 17742 3183 1 5 . 1 1 75 75 LYS H H 405 8.263 8.263 8.509 -0.246 17742 3184 1 5 . 1 1 76 76 GLU N N 406 128.072 128.072 125.033 3.039 17742 3185 1 5 . 1 1 76 76 GLU HA H 406 4.432 4.432 4.416 0.016 17742 3186 1 5 . 1 1 76 76 GLU CA C 406 53.747 53.747 54.038 -0.291 17742 3187 1 5 . 1 1 76 76 GLU CB C 406 29.914 29.914 29.288 0.626 17742 3188 1 5 . 1 1 76 76 GLU H H 406 8.024 8.024 8.691 -0.667 17742 3189 1 5 . 1 1 77 77 PRO HA H 407 4.282 4.282 4.247 0.035 17742 3190 1 5 . 1 1 77 77 PRO C C 407 177.719 177.719 177.492 0.227 17742 3191 1 5 . 1 1 77 77 PRO CA C 407 63.407 63.407 63.885 -0.478 17742 3192 1 5 . 1 1 77 77 PRO CB C 407 32.184 32.184 31.097 1.087 17742 3193 1 5 . 1 1 78 78 GLY N N 408 109.716 109.716 113.746 -4.030 17742 3194 1 5 . 1 1 78 78 GLY C C 408 174.053 174.053 173.862 0.191 17742 3195 1 5 . 1 1 78 78 GLY CA C 408 45.519 45.519 44.670 0.849 17742 3196 1 5 . 1 1 78 78 GLY H H 408 8.531 8.531 8.748 -0.217 17742 3197 1 5 . 1 1 79 79 GLN N N 409 116.964 116.964 119.647 -2.683 17742 3198 1 5 . 1 1 79 79 GLN HA H 409 4.488 4.488 4.560 -0.072 17742 3199 1 5 . 1 1 79 79 GLN C C 409 175.390 175.390 175.293 0.097 17742 3200 1 5 . 1 1 79 79 GLN CA C 409 54.359 54.359 54.695 -0.336 17742 3201 1 5 . 1 1 79 79 GLN CB C 409 31.202 31.202 31.014 0.188 17742 3202 1 5 . 1 1 79 79 GLN H H 409 7.559 7.559 7.615 -0.056 17742 3203 1 5 . 1 1 80 80 ARG N N 410 120.457 120.457 121.470 -1.013 17742 3204 1 5 . 1 1 80 80 ARG HA H 410 4.262 4.262 4.140 0.122 17742 3205 1 5 . 1 1 80 80 ARG C C 410 176.270 176.270 177.100 -0.830 17742 3206 1 5 . 1 1 80 80 ARG CA C 410 56.821 56.821 56.929 -0.108 17742 3207 1 5 . 1 1 80 80 ARG CB C 410 31.502 31.502 29.747 1.755 17742 3208 1 5 . 1 1 80 80 ARG H H 410 8.251 8.251 8.459 -0.208 17742 3209 1 5 . 1 1 81 81 LEU N N 411 119.348 119.348 121.142 -1.794 17742 3210 1 5 . 1 1 81 81 LEU HA H 411 4.023 4.023 4.418 -0.395 17742 3211 1 5 . 1 1 81 81 LEU C C 411 173.279 173.279 175.640 -2.361 17742 3212 1 5 . 1 1 81 81 LEU CA C 411 55.030 55.030 53.669 1.361 17742 3213 1 5 . 1 1 81 81 LEU CB C 411 40.335 40.335 41.259 -0.924 17742 3214 1 5 . 1 1 81 81 LEU H H 411 8.435 8.435 8.065 0.370 17742 3215 1 5 . 1 1 82 82 LEU N N 412 119.070 119.070 121.898 -2.828 17742 3216 1 5 . 1 1 82 82 LEU HA H 412 5.013 5.013 4.260 0.753 17742 3217 1 5 . 1 1 82 82 LEU C C 412 175.361 175.361 175.728 -0.367 17742 3218 1 5 . 1 1 82 82 LEU CA C 412 53.212 53.212 54.242 -1.030 17742 3219 1 5 . 1 1 82 82 LEU CB C 412 45.471 45.471 41.120 4.351 17742 3220 1 5 . 1 1 82 82 LEU H H 412 6.751 6.751 7.465 -0.714 17742 3221 1 5 . 1 1 83 83 PHE N N 413 122.184 122.184 125.060 -2.876 17742 3222 1 5 . 1 1 83 83 PHE HA H 413 4.865 4.865 5.534 -0.669 17742 3223 1 5 . 1 1 83 83 PHE C C 413 172.849 172.849 174.743 -1.894 17742 3224 1 5 . 1 1 83 83 PHE CA C 413 55.921 55.921 54.270 1.651 17742 3225 1 5 . 1 1 83 83 PHE CB C 413 44.569 44.569 42.588 1.981 17742 3226 1 5 . 1 1 83 83 PHE H H 413 8.661 8.661 8.909 -0.248 17742 3227 1 5 . 1 1 84 84 ARG N N 414 119.461 119.461 119.935 -0.474 17742 3228 1 5 . 1 1 84 84 ARG HA H 414 5.581 5.581 5.279 0.302 17742 3229 1 5 . 1 1 84 84 ARG C C 414 177.641 177.641 174.986 2.655 17742 3230 1 5 . 1 1 84 84 ARG CA C 414 54.239 54.239 55.126 -0.887 17742 3231 1 5 . 1 1 84 84 ARG CB C 414 36.198 36.198 33.991 2.207 17742 3232 1 5 . 1 1 84 84 ARG H H 414 9.098 9.098 9.005 0.093 17742 3233 1 5 . 1 1 85 85 PHE N N 415 124.274 124.274 127.945 -3.671 17742 3234 1 5 . 1 1 85 85 PHE HA H 415 5.027 5.027 5.022 0.005 17742 3235 1 5 . 1 1 85 85 PHE C C 415 176.117 176.117 176.252 -0.135 17742 3236 1 5 . 1 1 85 85 PHE CA C 415 59.657 59.657 59.369 0.288 17742 3237 1 5 . 1 1 85 85 PHE CB C 415 40.819 40.819 38.084 2.735 17742 3238 1 5 . 1 1 85 85 PHE H H 415 8.928 8.928 9.560 -0.632 17742 3239 1 5 . 1 1 86 86 MET N N 416 121.081 121.081 122.093 -1.012 17742 3240 1 5 . 1 1 86 86 MET HA H 416 4.656 4.656 4.255 0.401 17742 3241 1 5 . 1 1 86 86 MET C C 416 176.444 176.444 176.419 0.025 17742 3242 1 5 . 1 1 86 86 MET CA C 416 54.681 54.681 58.049 -3.368 17742 3243 1 5 . 1 1 86 86 MET CB C 416 31.698 31.698 32.949 -1.251 17742 3244 1 5 . 1 1 86 86 MET H H 416 8.676 8.676 8.437 0.239 17742 3245 1 5 . 1 1 87 87 LYS N N 417 117.772 117.772 113.715 4.057 17742 3246 1 5 . 1 1 87 87 LYS HA H 417 4.899 4.899 4.768 0.131 17742 3247 1 5 . 1 1 87 87 LYS C C 417 175.621 175.621 175.130 0.491 17742 3248 1 5 . 1 1 87 87 LYS CA C 417 54.522 54.522 54.538 -0.017 17742 3249 1 5 . 1 1 87 87 LYS CB C 417 37.905 37.905 35.664 2.241 17742 3250 1 5 . 1 1 87 87 LYS H H 417 7.624 7.624 7.404 0.220 17742 3251 1 5 . 1 1 88 88 THR N N 418 112.426 112.426 111.423 1.003 17742 3252 1 5 . 1 1 88 88 THR HA H 418 4.372 4.372 4.463 -0.091 17742 3253 1 5 . 1 1 88 88 THR CA C 418 59.786 59.786 58.141 1.645 17742 3254 1 5 . 1 1 88 88 THR CB C 418 68.040 68.040 68.728 -0.688 17742 3255 1 5 . 1 1 88 88 THR H H 418 8.787 8.787 9.158 -0.371 17742 3256 1 5 . 1 1 89 89 PRO HA H 419 3.654 3.654 3.019 0.635 17742 3257 1 5 . 1 1 89 89 PRO C C 419 177.412 177.412 178.568 -1.156 17742 3258 1 5 . 1 1 89 89 PRO CA C 419 65.712 65.712 66.683 -0.971 17742 3259 1 5 . 1 1 89 89 PRO CB C 419 31.762 31.762 31.540 0.222 17742 3260 1 5 . 1 1 90 90 ASP N N 420 114.221 114.221 114.603 -0.382 17742 3261 1 5 . 1 1 90 90 ASP HA H 420 4.224 4.224 4.294 -0.070 17742 3262 1 5 . 1 1 90 90 ASP C C 420 178.341 178.341 178.206 0.135 17742 3263 1 5 . 1 1 90 90 ASP CA C 420 56.657 56.657 57.147 -0.490 17742 3264 1 5 . 1 1 90 90 ASP CB C 420 40.642 40.642 40.500 0.142 17742 3265 1 5 . 1 1 90 90 ASP H H 420 7.958 7.958 8.512 -0.554 17742 3266 1 5 . 1 1 91 91 GLU N N 421 119.443 119.443 117.883 1.560 17742 3267 1 5 . 1 1 91 91 GLU HA H 421 4.006 4.006 4.048 -0.042 17742 3268 1 5 . 1 1 91 91 GLU C C 421 179.238 179.238 177.652 1.586 17742 3269 1 5 . 1 1 91 91 GLU CA C 421 58.458 58.458 58.211 0.247 17742 3270 1 5 . 1 1 91 91 GLU CB C 421 30.774 30.774 29.785 0.989 17742 3271 1 5 . 1 1 91 91 GLU H H 421 7.628 7.628 7.476 0.152 17742 3272 1 5 . 1 1 92 92 ILE N N 422 120.617 120.617 118.086 2.531 17742 3273 1 5 . 1 1 92 92 ILE HA H 422 3.589 3.589 3.537 0.052 17742 3274 1 5 . 1 1 92 92 ILE C C 422 178.124 178.124 177.814 0.310 17742 3275 1 5 . 1 1 92 92 ILE CA C 422 63.878 63.878 64.201 -0.323 17742 3276 1 5 . 1 1 92 92 ILE CB C 422 38.142 38.142 37.771 0.371 17742 3277 1 5 . 1 1 92 92 ILE H H 422 7.896 7.896 7.684 0.212 17742 3278 1 5 . 1 1 93 93 MET N N 423 117.857 117.857 118.127 -0.270 17742 3279 1 5 . 1 1 93 93 MET HA H 423 4.365 4.365 4.250 0.115 17742 3280 1 5 . 1 1 93 93 MET C C 423 177.009 177.009 177.308 -0.299 17742 3281 1 5 . 1 1 93 93 MET CA C 423 56.527 56.527 58.600 -2.073 17742 3282 1 5 . 1 1 93 93 MET CB C 423 32.617 32.617 32.664 -0.048 17742 3283 1 5 . 1 1 93 93 MET H H 423 8.161 8.161 8.185 -0.024 17742 3284 1 5 . 1 1 94 94 SER N N 424 114.591 114.591 112.851 1.740 17742 3285 1 5 . 1 1 94 94 SER HA H 424 4.406 4.406 4.384 0.022 17742 3286 1 5 . 1 1 94 94 SER C C 424 175.262 175.262 174.431 0.831 17742 3287 1 5 . 1 1 94 94 SER CA C 424 59.482 59.482 58.894 0.588 17742 3288 1 5 . 1 1 94 94 SER CB C 424 63.466 63.466 63.274 0.192 17742 3289 1 5 . 1 1 94 94 SER H H 424 7.744 7.744 7.982 -0.238 17742 3290 1 5 . 1 1 95 95 GLY N N 425 109.590 109.590 108.900 0.690 17742 3291 1 5 . 1 1 95 95 GLY C C 425 174.197 174.197 173.088 1.109 17742 3292 1 5 . 1 1 95 95 GLY CA C 425 45.122 45.122 45.350 -0.228 17742 3293 1 5 . 1 1 95 95 GLY H H 425 7.970 7.970 7.967 0.003 17742 3294 1 5 . 1 1 96 96 ARG N N 426 119.792 119.792 123.148 -3.356 17742 3295 1 5 . 1 1 96 96 ARG HA H 426 4.567 4.567 4.834 -0.267 17742 3296 1 5 . 1 1 96 96 ARG C C 426 177.866 177.866 177.356 0.510 17742 3297 1 5 . 1 1 96 96 ARG CA C 426 55.757 55.757 54.514 1.243 17742 3298 1 5 . 1 1 96 96 ARG CB C 426 30.059 30.059 28.118 1.941 17742 3299 1 5 . 1 1 96 96 ARG H H 426 8.144 8.144 8.509 -0.365 17742 3300 1 5 . 1 1 97 97 THR N N 427 114.770 114.770 112.945 1.825 17742 3301 1 5 . 1 1 97 97 THR HA H 427 4.221 4.221 4.350 -0.129 17742 3302 1 5 . 1 1 97 97 THR C C 427 175.449 175.449 175.610 -0.161 17742 3303 1 5 . 1 1 97 97 THR CA C 427 63.411 63.411 64.657 -1.246 17742 3304 1 5 . 1 1 97 97 THR CB C 427 69.080 69.080 69.634 -0.554 17742 3305 1 5 . 1 1 97 97 THR H H 427 8.427 8.427 8.031 0.396 17742 3306 1 5 . 1 1 98 98 ASP N N 428 122.017 122.017 122.278 -0.261 17742 3307 1 5 . 1 1 98 98 ASP HA H 428 4.404 4.404 4.291 0.113 17742 3308 1 5 . 1 1 98 98 ASP C C 428 178.042 178.042 178.361 -0.319 17742 3309 1 5 . 1 1 98 98 ASP CA C 428 56.438 56.438 57.286 -0.848 17742 3310 1 5 . 1 1 98 98 ASP CB C 428 40.012 40.012 40.166 -0.154 17742 3311 1 5 . 1 1 98 98 ASP H H 428 8.659 8.659 8.632 0.027 17742 3312 1 5 . 1 1 99 99 ARG N N 429 120.083 120.083 118.908 1.175 17742 3313 1 5 . 1 1 99 99 ARG HA H 429 4.190 4.190 4.129 0.061 17742 3314 1 5 . 1 1 99 99 ARG C C 429 178.236 178.236 178.579 -0.343 17742 3315 1 5 . 1 1 99 99 ARG CA C 429 58.307 58.307 58.970 -0.663 17742 3316 1 5 . 1 1 99 99 ARG CB C 429 30.073 30.073 30.129 -0.056 17742 3317 1 5 . 1 1 99 99 ARG H H 429 8.011 8.011 8.408 -0.397 17742 3318 1 5 . 1 1 100 100 LEU N N 430 119.784 119.784 119.931 -0.147 17742 3319 1 5 . 1 1 100 100 LEU HA H 430 4.048 4.048 4.053 -0.005 17742 3320 1 5 . 1 1 100 100 LEU C C 430 178.209 178.209 178.775 -0.566 17742 3321 1 5 . 1 1 100 100 LEU CA C 430 57.535 57.535 57.704 -0.169 17742 3322 1 5 . 1 1 100 100 LEU CB C 430 42.218 42.218 41.829 0.389 17742 3323 1 5 . 1 1 100 100 LEU H H 430 7.667 7.667 7.488 0.179 17742 3324 1 5 . 1 1 101 101 GLU N N 431 119.434 119.434 118.269 1.165 17742 3325 1 5 . 1 1 101 101 GLU HA H 431 3.962 3.962 4.013 -0.051 17742 3326 1 5 . 1 1 101 101 GLU C C 431 178.773 178.773 178.961 -0.188 17742 3327 1 5 . 1 1 101 101 GLU CA C 431 59.470 59.470 59.511 -0.041 17742 3328 1 5 . 1 1 101 101 GLU CB C 431 29.667 29.667 29.599 0.068 17742 3329 1 5 . 1 1 101 101 GLU H H 431 8.339 8.339 8.734 -0.395 17742 3330 1 5 . 1 1 102 102 HIS N N 432 118.026 118.026 118.066 -0.040 17742 3331 1 5 . 1 1 102 102 HIS HA H 432 4.463 4.463 4.490 -0.027 17742 3332 1 5 . 1 1 102 102 HIS C C 432 177.322 177.322 177.394 -0.072 17742 3333 1 5 . 1 1 102 102 HIS CA C 432 58.432 58.432 58.610 -0.178 17742 3334 1 5 . 1 1 102 102 HIS CB C 432 29.237 29.237 30.481 -1.244 17742 3335 1 5 . 1 1 102 102 HIS H H 432 7.995 7.995 7.693 0.302 17742 3336 1 5 . 1 1 103 103 LEU N N 433 120.785 120.785 121.685 -0.900 17742 3337 1 5 . 1 1 103 103 LEU HA H 433 3.971 3.971 4.173 -0.202 17742 3338 1 5 . 1 1 103 103 LEU C C 433 179.014 179.014 178.422 0.592 17742 3339 1 5 . 1 1 103 103 LEU CA C 433 57.570 57.570 57.187 0.383 17742 3340 1 5 . 1 1 103 103 LEU CB C 433 41.606 41.606 41.280 0.326 17742 3341 1 5 . 1 1 103 103 LEU H H 433 8.077 8.077 8.115 -0.038 17742 3342 1 5 . 1 1 104 104 GLU N N 434 119.107 119.107 119.265 -0.158 17742 3343 1 5 . 1 1 104 104 GLU HA H 434 4.025 4.025 3.943 0.082 17742 3344 1 5 . 1 1 104 104 GLU C C 434 178.187 178.187 179.031 -0.844 17742 3345 1 5 . 1 1 104 104 GLU CA C 434 60.221 60.221 60.000 0.221 17742 3346 1 5 . 1 1 104 104 GLU CB C 434 30.104 30.104 29.306 0.798 17742 3347 1 5 . 1 1 104 104 GLU H H 434 8.443 8.443 8.389 0.054 17742 3348 1 5 . 1 1 105 105 SER N N 435 114.129 114.129 112.769 1.360 17742 3349 1 5 . 1 1 105 105 SER HA H 435 4.204 4.204 4.176 0.028 17742 3350 1 5 . 1 1 105 105 SER C C 435 175.924 175.924 175.804 0.120 17742 3351 1 5 . 1 1 105 105 SER CA C 435 61.303 61.303 60.562 0.741 17742 3352 1 5 . 1 1 105 105 SER CB C 435 63.070 63.070 63.004 0.066 17742 3353 1 5 . 1 1 105 105 SER H H 435 8.041 8.041 8.057 -0.016 17742 3354 1 5 . 1 1 106 106 GLN N N 436 120.201 120.201 120.793 -0.592 17742 3355 1 5 . 1 1 106 106 GLN HA H 436 4.124 4.124 4.146 -0.022 17742 3356 1 5 . 1 1 106 106 GLN C C 436 178.242 178.242 177.893 0.349 17742 3357 1 5 . 1 1 106 106 GLN CA C 436 58.242 58.242 58.229 0.013 17742 3358 1 5 . 1 1 106 106 GLN CB C 436 29.001 29.001 29.353 -0.352 17742 3359 1 5 . 1 1 106 106 GLN H H 436 7.823 7.823 7.786 0.037 17742 3360 1 5 . 1 1 107 107 VAL N N 437 117.503 117.503 119.894 -2.391 17742 3361 1 5 . 1 1 107 107 VAL HA H 437 3.955 3.955 4.091 -0.136 17742 3362 1 5 . 1 1 107 107 VAL C C 437 177.462 177.462 177.055 0.407 17742 3363 1 5 . 1 1 107 107 VAL CA C 437 64.414 64.414 65.512 -1.098 17742 3364 1 5 . 1 1 107 107 VAL CB C 437 32.192 32.192 31.917 0.275 17742 3365 1 5 . 1 1 107 107 VAL H H 437 7.711 7.711 8.519 -0.808 17742 3366 1 5 . 1 1 108 108 LEU HA H 438 4.072 4.072 4.215 -0.143 17742 3367 1 5 . 1 1 108 108 LEU C C 438 177.614 177.614 176.713 0.901 17742 3368 1 5 . 1 1 108 108 LEU CA C 438 56.521 56.521 55.547 0.974 17742 3369 1 5 . 1 1 108 108 LEU CB C 438 42.149 42.149 41.522 0.627 17742 3370 1 5 . 1 1 109 109 ASP N N 439 118.500 118.500 117.968 0.532 17742 3371 1 5 . 1 1 109 109 ASP HA H 439 4.685 4.685 4.682 0.003 17742 3372 1 5 . 1 1 109 109 ASP C C 439 176.372 176.372 177.930 -1.558 17742 3373 1 5 . 1 1 109 109 ASP CA C 439 54.653 54.653 54.487 0.166 17742 3374 1 5 . 1 1 109 109 ASP CB C 439 41.425 41.425 41.892 -0.467 17742 3375 1 5 . 1 1 109 109 ASP H H 439 7.872 7.872 7.895 -0.023 17742 3376 1 5 . 1 1 110 110 GLU N N 440 120.701 120.701 119.600 1.101 17742 3377 1 5 . 1 1 110 110 GLU HA H 440 4.188 4.188 3.978 0.210 17742 3378 1 5 . 1 1 110 110 GLU C C 440 176.739 176.739 176.939 -0.200 17742 3379 1 5 . 1 1 110 110 GLU CA C 440 57.310 57.310 58.908 -1.598 17742 3380 1 5 . 1 1 110 110 GLU CB C 440 30.091 30.091 29.844 0.247 17742 3381 1 5 . 1 1 110 110 GLU H H 440 7.929 7.929 8.351 -0.422 17742 3382 1 5 . 1 1 111 111 GLN N N 441 120.829 120.829 116.493 4.336 17742 3383 1 5 . 1 1 111 111 GLN HA H 441 4.341 4.341 4.462 -0.121 17742 3384 1 5 . 1 1 111 111 GLN C C 441 176.214 176.214 176.463 -0.249 17742 3385 1 5 . 1 1 111 111 GLN CA C 441 56.103 56.103 54.975 1.128 17742 3386 1 5 . 1 1 111 111 GLN CB C 441 29.607 29.607 28.727 0.880 17742 3387 1 5 . 1 1 111 111 GLN H H 441 8.434 8.434 7.945 0.489 17742 3388 1 5 . 1 1 112 112 THR N N 442 114.861 114.861 120.826 -5.965 17742 3389 1 5 . 1 1 112 112 THR HA H 442 4.258 4.258 4.159 0.099 17742 3390 1 5 . 1 1 112 112 THR C C 442 174.095 174.095 175.475 -1.380 17742 3391 1 5 . 1 1 112 112 THR CA C 442 62.140 62.140 65.456 -3.316 17742 3392 1 5 . 1 1 112 112 THR CB C 442 69.870 69.870 69.239 0.631 17742 3393 1 5 . 1 1 112 112 THR H H 442 8.038 8.038 8.562 -0.524 17742 3394 1 5 . 1 1 113 113 TYR N N 443 122.709 122.709 117.626 5.083 17742 3395 1 5 . 1 1 113 113 TYR HA H 443 4.552 4.552 4.628 -0.076 17742 3396 1 5 . 1 1 113 113 TYR C C 443 175.303 175.303 174.915 0.388 17742 3397 1 5 . 1 1 113 113 TYR CA C 443 57.921 57.921 55.944 1.977 17742 3398 1 5 . 1 1 113 113 TYR CB C 443 38.982 38.982 36.418 2.564 17742 3399 1 5 . 1 1 113 113 TYR H H 443 8.171 8.171 7.376 0.795 17742 3400 1 5 . 1 1 114 114 GLN N N 444 122.768 122.768 116.599 6.169 17742 3401 1 5 . 1 1 114 114 GLN HA H 444 4.284 4.284 3.785 0.499 17742 3402 1 5 . 1 1 114 114 GLN C C 444 175.372 175.372 174.763 0.609 17742 3403 1 5 . 1 1 114 114 GLN CA C 444 55.543 55.543 56.268 -0.725 17742 3404 1 5 . 1 1 114 114 GLN CB C 444 29.894 29.894 26.774 3.120 17742 3405 1 5 . 1 1 114 114 GLN H H 444 8.202 8.202 7.751 0.451 17742 3406 1 5 . 1 1 115 115 GLU N N 445 122.370 122.370 118.132 4.238 17742 3407 1 5 . 1 1 115 115 GLU HA H 445 4.225 4.225 3.170 1.055 17742 3408 1 5 . 1 1 115 115 GLU C C 445 176.058 176.058 175.780 0.278 17742 3409 1 5 . 1 1 115 115 GLU CA C 445 56.612 56.612 56.592 0.020 17742 3410 1 5 . 1 1 115 115 GLU CB C 445 30.517 30.517 29.252 1.265 17742 3411 1 5 . 1 1 115 115 GLU H H 445 8.371 8.371 7.746 0.625 17742 3412 1 5 . 1 1 116 116 ASP N N 446 121.090 121.090 125.065 -3.975 17742 3413 1 5 . 1 1 116 116 ASP HA H 446 4.595 4.595 4.531 0.064 17742 3414 1 5 . 1 1 116 116 ASP C C 446 175.872 175.872 176.270 -0.398 17742 3415 1 5 . 1 1 116 116 ASP CA C 446 54.382 54.382 55.560 -1.178 17742 3416 1 5 . 1 1 116 116 ASP CB C 446 41.402 41.402 41.591 -0.189 17742 3417 1 5 . 1 1 116 116 ASP H H 446 8.336 8.336 8.493 -0.157 17742 3418 1 5 . 1 1 117 117 GLU N N 447 121.977 121.977 119.868 2.109 17742 3419 1 5 . 1 1 117 117 GLU HA H 447 4.575 4.575 4.485 0.090 17742 3420 1 5 . 1 1 117 117 GLU CA C 447 54.442 54.442 54.449 -0.007 17742 3421 1 5 . 1 1 117 117 GLU CB C 447 30.254 30.254 29.108 1.146 17742 3422 1 5 . 1 1 117 117 GLU H H 447 8.194 8.194 8.397 -0.203 17742 3423 1 5 . 1 1 118 118 PRO HA H 448 4.461 4.461 4.348 0.113 17742 3424 1 5 . 1 1 118 118 PRO C C 448 177.160 177.160 176.692 0.468 17742 3425 1 5 . 1 1 118 118 PRO CA C 448 63.371 63.371 63.054 0.317 17742 3426 1 5 . 1 1 118 118 PRO CB C 448 32.302 32.302 29.891 2.411 17742 3427 1 5 . 1 1 119 119 THR N N 449 114.788 114.788 115.774 -0.986 17742 3428 1 5 . 1 1 119 119 THR HA H 449 4.292 4.292 4.137 0.155 17742 3429 1 5 . 1 1 119 119 THR C C 449 174.664 174.664 174.229 0.435 17742 3430 1 5 . 1 1 119 119 THR CA C 449 62.117 62.117 63.665 -1.548 17742 3431 1 5 . 1 1 119 119 THR CB C 449 69.861 69.861 69.424 0.437 17742 3432 1 5 . 1 1 119 119 THR H H 449 8.235 8.235 8.540 -0.305 17742 3433 1 5 . 1 1 120 120 ILE N N 450 123.074 123.074 123.433 -0.359 17742 3434 1 5 . 1 1 120 120 ILE HA H 450 4.169 4.169 3.945 0.224 17742 3435 1 5 . 1 1 120 120 ILE C C 450 175.683 175.683 176.380 -0.697 17742 3436 1 5 . 1 1 120 120 ILE CA C 450 60.987 60.987 61.247 -0.260 17742 3437 1 5 . 1 1 120 120 ILE CB C 450 38.983 38.983 35.647 3.337 17742 3438 1 5 . 1 1 120 120 ILE H H 450 8.043 8.043 8.711 -0.668 17742 3439 1 5 . 1 1 121 121 ALA N N 451 128.011 128.011 128.910 -0.899 17742 3440 1 5 . 1 1 121 121 ALA HA H 451 4.332 4.332 4.291 0.041 17742 3441 1 5 . 1 1 121 121 ALA C C 451 177.333 177.333 176.183 1.150 17742 3442 1 5 . 1 1 121 121 ALA CA C 451 52.364 52.364 52.602 -0.238 17742 3443 1 5 . 1 1 121 121 ALA CB C 451 19.534 19.534 19.589 -0.055 17742 3444 1 5 . 1 1 121 121 ALA H H 451 8.277 8.277 8.229 0.048 17742 3445 1 5 . 1 1 122 122 SER N N 452 116.575 116.575 111.859 4.716 17742 3446 1 5 . 1 1 122 122 SER HA H 452 4.672 4.672 4.615 0.057 17742 3447 1 5 . 1 1 122 122 SER CA C 452 56.230 56.230 56.828 -0.598 17742 3448 1 5 . 1 1 122 122 SER CB C 452 63.460 63.460 64.156 -0.696 17742 3449 1 5 . 1 1 122 122 SER H H 452 8.161 8.161 7.396 0.765 17742 3450 1 5 . 1 1 123 123 PRO HA H 453 4.395 4.395 4.347 0.048 17742 3451 1 5 . 1 1 123 123 PRO C C 453 176.993 176.993 175.990 1.003 17742 3452 1 5 . 1 1 123 123 PRO CA C 453 63.303 63.303 63.269 0.034 17742 3453 1 5 . 1 1 123 123 PRO CB C 453 32.149 32.149 30.563 1.586 17742 3454 1 5 . 1 1 124 124 VAL N N 454 119.733 119.733 122.159 -2.426 17742 3455 1 5 . 1 1 124 124 VAL HA H 454 4.010 4.010 3.704 0.306 17742 3456 1 5 . 1 1 124 124 VAL CA C 454 62.674 62.674 64.008 -1.334 17742 3457 1 5 . 1 1 124 124 VAL CB C 454 32.669 32.669 31.940 0.729 17742 3458 1 5 . 1 1 124 124 VAL H H 454 8.058 8.058 8.308 -0.250 17742 3459 1 5 . 1 1 125 125 GLY N N 455 111.901 111.901 105.833 6.068 17742 3460 1 5 . 1 1 125 125 GLY CA C 455 45.152 45.152 44.965 0.187 17742 3461 1 5 . 1 1 125 125 GLY H H 455 8.255 8.255 7.364 0.891 17742 3462 1 5 . 1 1 126 126 TRP N N 456 122.405 122.405 124.805 -2.400 17742 3463 1 5 . 1 1 126 126 TRP HA H 456 4.929 4.929 4.866 0.063 17742 3464 1 5 . 1 1 126 126 TRP CA C 456 55.029 55.029 54.825 0.204 17742 3465 1 5 . 1 1 126 126 TRP CB C 456 29.383 29.383 28.900 0.483 17742 3466 1 5 . 1 1 126 126 TRP H H 456 7.906 7.906 7.928 -0.022 17742 3467 1 5 . 1 1 127 127 PRO HA H 457 4.429 4.429 4.618 -0.189 17742 3468 1 5 . 1 1 127 127 PRO C C 457 175.951 175.951 176.095 -0.144 17742 3469 1 5 . 1 1 127 127 PRO CA C 457 63.558 63.558 62.638 0.920 17742 3470 1 5 . 1 1 127 127 PRO CB C 457 31.932 31.932 32.065 -0.133 17742 3471 1 6 . 1 1 5 5 ARG N N 335 123.607 123.607 117.570 6.037 17742 3472 1 6 . 1 1 5 5 ARG HA H 335 4.382 4.382 4.227 0.155 17742 3473 1 6 . 1 1 5 5 ARG CA C 335 56.926 56.926 56.224 0.702 17742 3474 1 6 . 1 1 5 5 ARG H H 335 9.161 9.161 8.307 0.854 17742 3475 1 6 . 1 1 6 6 LEU N N 336 122.412 122.412 118.205 4.207 17742 3476 1 6 . 1 1 6 6 LEU CB C 336 42.172 42.172 41.540 0.632 17742 3477 1 6 . 1 1 6 6 LEU H H 336 8.775 8.775 7.431 1.344 17742 3478 1 6 . 1 1 7 7 LEU HA H 337 3.669 3.669 4.327 -0.658 17742 3479 1 6 . 1 1 7 7 LEU CA C 337 59.053 59.053 58.876 0.177 17742 3480 1 6 . 1 1 7 7 LEU CB C 337 40.447 40.447 41.961 -1.514 17742 3481 1 6 . 1 1 8 8 TRP N N 338 114.197 114.197 115.402 -1.205 17742 3482 1 6 . 1 1 8 8 TRP HA H 338 3.747 3.747 4.614 -0.867 17742 3483 1 6 . 1 1 8 8 TRP CA C 338 60.071 60.071 59.131 0.940 17742 3484 1 6 . 1 1 8 8 TRP CB C 338 28.481 28.481 28.547 -0.066 17742 3485 1 6 . 1 1 8 8 TRP H H 338 7.595 7.595 7.583 0.012 17742 3486 1 6 . 1 1 9 9 ASP HA H 339 3.648 3.648 4.658 -1.010 17742 3487 1 6 . 1 1 9 9 ASP C C 339 177.491 177.491 177.914 -0.423 17742 3488 1 6 . 1 1 9 9 ASP CA C 339 56.197 56.197 56.533 -0.336 17742 3489 1 6 . 1 1 9 9 ASP CB C 339 41.702 41.702 40.549 1.153 17742 3490 1 6 . 1 1 10 10 TYR N N 340 120.786 120.786 122.101 -1.315 17742 3491 1 6 . 1 1 10 10 TYR HA H 340 3.851 3.851 4.126 -0.275 17742 3492 1 6 . 1 1 10 10 TYR C C 340 177.016 177.016 177.795 -0.779 17742 3493 1 6 . 1 1 10 10 TYR CA C 340 61.921 61.921 60.936 0.985 17742 3494 1 6 . 1 1 10 10 TYR CB C 340 39.202 39.202 38.849 0.353 17742 3495 1 6 . 1 1 10 10 TYR H H 340 7.929 7.929 8.184 -0.255 17742 3496 1 6 . 1 1 11 11 VAL N N 341 114.828 114.828 119.176 -4.348 17742 3497 1 6 . 1 1 11 11 VAL HA H 341 2.982 2.982 3.547 -0.565 17742 3498 1 6 . 1 1 11 11 VAL C C 341 176.795 176.795 177.269 -0.474 17742 3499 1 6 . 1 1 11 11 VAL CA C 341 66.855 66.855 66.015 0.840 17742 3500 1 6 . 1 1 11 11 VAL CB C 341 31.152 31.152 31.483 -0.331 17742 3501 1 6 . 1 1 11 11 VAL H H 341 8.291 8.291 8.677 -0.386 17742 3502 1 6 . 1 1 12 12 TYR N N 342 119.177 119.177 120.110 -0.933 17742 3503 1 6 . 1 1 12 12 TYR HA H 342 3.617 3.617 3.881 -0.264 17742 3504 1 6 . 1 1 12 12 TYR C C 342 178.765 178.765 176.850 1.915 17742 3505 1 6 . 1 1 12 12 TYR CA C 342 62.960 62.960 61.053 1.907 17742 3506 1 6 . 1 1 12 12 TYR CB C 342 38.232 38.232 38.265 -0.033 17742 3507 1 6 . 1 1 12 12 TYR H H 342 7.712 7.712 7.829 -0.117 17742 3508 1 6 . 1 1 13 13 GLN N N 343 118.873 118.873 118.158 0.715 17742 3509 1 6 . 1 1 13 13 GLN HA H 343 3.833 3.833 3.903 -0.070 17742 3510 1 6 . 1 1 13 13 GLN C C 343 179.917 179.917 178.431 1.486 17742 3511 1 6 . 1 1 13 13 GLN CA C 343 58.821 58.821 58.285 0.536 17742 3512 1 6 . 1 1 13 13 GLN CB C 343 27.649 27.649 28.689 -1.040 17742 3513 1 6 . 1 1 13 13 GLN H H 343 8.076 8.076 7.570 0.506 17742 3514 1 6 . 1 1 14 14 LEU N N 344 121.381 121.381 120.453 0.928 17742 3515 1 6 . 1 1 14 14 LEU HA H 344 3.611 3.611 3.746 -0.135 17742 3516 1 6 . 1 1 14 14 LEU C C 344 179.861 179.861 179.242 0.619 17742 3517 1 6 . 1 1 14 14 LEU CA C 344 58.121 58.121 57.167 0.954 17742 3518 1 6 . 1 1 14 14 LEU CB C 344 41.382 41.382 41.470 -0.088 17742 3519 1 6 . 1 1 14 14 LEU H H 344 7.772 7.772 7.517 0.255 17742 3520 1 6 . 1 1 15 15 LEU N N 345 116.801 116.801 116.140 0.661 17742 3521 1 6 . 1 1 15 15 LEU HA H 345 3.513 3.513 3.981 -0.468 17742 3522 1 6 . 1 1 15 15 LEU C C 345 178.221 178.221 177.779 0.442 17742 3523 1 6 . 1 1 15 15 LEU CA C 345 56.568 56.568 56.676 -0.108 17742 3524 1 6 . 1 1 15 15 LEU CB C 345 41.431 41.431 41.234 0.197 17742 3525 1 6 . 1 1 15 15 LEU H H 345 7.546 7.546 7.495 0.051 17742 3526 1 6 . 1 1 16 16 SER N N 346 112.511 112.511 111.742 0.769 17742 3527 1 6 . 1 1 16 16 SER HA H 346 4.542 4.542 4.547 -0.005 17742 3528 1 6 . 1 1 16 16 SER C C 346 172.510 172.510 174.029 -1.519 17742 3529 1 6 . 1 1 16 16 SER CA C 346 58.891 58.891 58.264 0.627 17742 3530 1 6 . 1 1 16 16 SER CB C 346 63.993 63.993 63.914 0.079 17742 3531 1 6 . 1 1 16 16 SER H H 346 7.277 7.277 7.457 -0.180 17742 3532 1 6 . 1 1 17 17 ASP N N 347 122.234 122.234 121.156 1.078 17742 3533 1 6 . 1 1 17 17 ASP HA H 347 4.969 4.969 4.925 0.044 17742 3534 1 6 . 1 1 17 17 ASP C C 347 175.703 175.703 176.288 -0.585 17742 3535 1 6 . 1 1 17 17 ASP CA C 347 52.761 52.761 53.219 -0.458 17742 3536 1 6 . 1 1 17 17 ASP CB C 347 43.427 43.427 43.844 -0.417 17742 3537 1 6 . 1 1 17 17 ASP H H 347 7.353 7.353 7.531 -0.178 17742 3538 1 6 . 1 1 18 18 SER N N 348 120.139 120.139 119.827 0.312 17742 3539 1 6 . 1 1 18 18 SER HA H 348 4.371 4.371 4.346 0.025 17742 3540 1 6 . 1 1 18 18 SER C C 348 176.259 176.259 176.021 0.238 17742 3541 1 6 . 1 1 18 18 SER CA C 348 61.131 61.131 59.836 1.295 17742 3542 1 6 . 1 1 18 18 SER CB C 348 63.177 63.177 63.129 0.048 17742 3543 1 6 . 1 1 18 18 SER H H 348 8.691 8.691 8.844 -0.153 17742 3544 1 6 . 1 1 19 19 ARG N N 349 122.716 122.716 123.309 -0.593 17742 3545 1 6 . 1 1 19 19 ARG HA H 349 4.114 4.114 3.901 0.213 17742 3546 1 6 . 1 1 19 19 ARG C C 349 178.154 178.154 178.014 0.140 17742 3547 1 6 . 1 1 19 19 ARG CA C 349 58.531 58.531 58.523 0.008 17742 3548 1 6 . 1 1 19 19 ARG CB C 349 29.794 29.794 29.683 0.111 17742 3549 1 6 . 1 1 19 19 ARG H H 349 8.586 8.586 7.535 1.051 17742 3550 1 6 . 1 1 20 20 TYR N N 350 116.201 116.201 116.705 -0.504 17742 3551 1 6 . 1 1 20 20 TYR HA H 350 4.883 4.883 4.886 -0.003 17742 3552 1 6 . 1 1 20 20 TYR C C 350 177.029 177.029 175.930 1.099 17742 3553 1 6 . 1 1 20 20 TYR CA C 350 58.741 58.741 56.164 2.577 17742 3554 1 6 . 1 1 20 20 TYR CB C 350 37.642 37.642 36.332 1.310 17742 3555 1 6 . 1 1 20 20 TYR H H 350 8.291 8.291 7.378 0.913 17742 3556 1 6 . 1 1 21 21 GLU N N 351 120.803 120.803 121.578 -0.775 17742 3557 1 6 . 1 1 21 21 GLU HA H 351 4.466 4.466 4.280 0.186 17742 3558 1 6 . 1 1 21 21 GLU C C 351 176.324 176.324 178.002 -1.678 17742 3559 1 6 . 1 1 21 21 GLU CA C 351 59.132 59.132 59.051 0.081 17742 3560 1 6 . 1 1 21 21 GLU CB C 351 29.864 29.864 28.925 0.939 17742 3561 1 6 . 1 1 21 21 GLU H H 351 7.513 7.513 7.951 -0.438 17742 3562 1 6 . 1 1 22 22 ASN N N 352 114.531 114.531 116.122 -1.591 17742 3563 1 6 . 1 1 22 22 ASN HA H 352 4.492 4.492 4.552 -0.060 17742 3564 1 6 . 1 1 22 22 ASN C C 352 174.497 174.497 175.732 -1.235 17742 3565 1 6 . 1 1 22 22 ASN CA C 352 54.122 54.122 54.055 0.067 17742 3566 1 6 . 1 1 22 22 ASN CB C 352 36.935 36.935 38.723 -1.788 17742 3567 1 6 . 1 1 22 22 ASN H H 352 8.649 8.649 8.285 0.364 17742 3568 1 6 . 1 1 23 23 PHE N N 353 115.501 115.501 116.198 -0.697 17742 3569 1 6 . 1 1 23 23 PHE HA H 353 4.751 4.751 4.570 0.181 17742 3570 1 6 . 1 1 23 23 PHE C C 353 176.442 176.442 175.357 1.085 17742 3571 1 6 . 1 1 23 23 PHE CB C 353 41.502 41.502 41.560 -0.058 17742 3572 1 6 . 1 1 23 23 PHE H H 353 8.555 8.555 7.948 0.607 17742 3573 1 6 . 1 1 24 24 ILE N N 354 120.734 120.734 117.784 2.950 17742 3574 1 6 . 1 1 24 24 ILE HA H 354 5.059 5.059 4.989 0.070 17742 3575 1 6 . 1 1 24 24 ILE C C 354 179.332 179.332 173.116 6.216 17742 3576 1 6 . 1 1 24 24 ILE CA C 354 59.831 59.831 60.344 -0.513 17742 3577 1 6 . 1 1 24 24 ILE CB C 354 40.623 40.623 42.093 -1.470 17742 3578 1 6 . 1 1 24 24 ILE H H 354 8.428 8.428 8.804 -0.376 17742 3579 1 6 . 1 1 25 25 ARG N N 355 121.187 121.187 122.525 -1.338 17742 3580 1 6 . 1 1 25 25 ARG HA H 355 4.904 4.904 4.870 0.034 17742 3581 1 6 . 1 1 25 25 ARG C C 355 175.152 175.152 174.091 1.061 17742 3582 1 6 . 1 1 25 25 ARG CA C 355 54.529 54.529 54.497 0.032 17742 3583 1 6 . 1 1 25 25 ARG CB C 355 33.599 33.599 33.595 0.004 17742 3584 1 6 . 1 1 25 25 ARG H H 355 8.671 8.671 8.916 -0.245 17742 3585 1 6 . 1 1 26 26 TRP N N 356 122.024 122.024 122.598 -0.574 17742 3586 1 6 . 1 1 26 26 TRP HA H 356 4.884 4.884 4.726 0.158 17742 3587 1 6 . 1 1 26 26 TRP C C 356 176.642 176.642 176.620 0.022 17742 3588 1 6 . 1 1 26 26 TRP CA C 356 57.960 57.960 58.021 -0.061 17742 3589 1 6 . 1 1 26 26 TRP CB C 356 30.634 30.634 29.769 0.865 17742 3590 1 6 . 1 1 26 26 TRP H H 356 9.159 9.159 8.919 0.240 17742 3591 1 6 . 1 1 27 27 GLU N N 357 125.331 125.331 123.509 1.822 17742 3592 1 6 . 1 1 27 27 GLU HA H 357 4.681 4.681 4.493 0.188 17742 3593 1 6 . 1 1 27 27 GLU C C 357 176.775 176.775 176.563 0.212 17742 3594 1 6 . 1 1 27 27 GLU CA C 357 56.990 56.990 57.798 -0.808 17742 3595 1 6 . 1 1 27 27 GLU CB C 357 31.579 31.579 31.042 0.537 17742 3596 1 6 . 1 1 27 27 GLU H H 357 9.504 9.504 8.819 0.685 17742 3597 1 6 . 1 1 28 28 ASP N N 358 116.213 116.213 121.152 -4.939 17742 3598 1 6 . 1 1 28 28 ASP HA H 358 4.771 4.771 4.989 -0.218 17742 3599 1 6 . 1 1 28 28 ASP C C 358 176.167 176.167 175.256 0.911 17742 3600 1 6 . 1 1 28 28 ASP CA C 358 53.541 53.541 53.960 -0.419 17742 3601 1 6 . 1 1 28 28 ASP CB C 358 41.932 41.932 42.224 -0.292 17742 3602 1 6 . 1 1 28 28 ASP H H 358 7.846 7.846 8.665 -0.819 17742 3603 1 6 . 1 1 29 29 LYS N N 359 127.762 127.762 124.698 3.064 17742 3604 1 6 . 1 1 29 29 LYS HA H 359 3.157 3.157 3.376 -0.219 17742 3605 1 6 . 1 1 29 29 LYS C C 359 178.776 178.776 178.029 0.747 17742 3606 1 6 . 1 1 29 29 LYS CA C 359 60.229 60.229 59.637 0.592 17742 3607 1 6 . 1 1 29 29 LYS CB C 359 32.734 32.734 32.347 0.387 17742 3608 1 6 . 1 1 29 29 LYS H H 359 9.216 9.216 8.714 0.502 17742 3609 1 6 . 1 1 30 30 GLU N N 360 119.601 119.601 119.046 0.555 17742 3610 1 6 . 1 1 30 30 GLU HA H 360 3.925 3.925 4.078 -0.153 17742 3611 1 6 . 1 1 30 30 GLU C C 360 178.684 178.684 177.254 1.430 17742 3612 1 6 . 1 1 30 30 GLU CA C 360 59.570 59.570 58.999 0.570 17742 3613 1 6 . 1 1 30 30 GLU CB C 360 29.177 29.177 29.170 0.007 17742 3614 1 6 . 1 1 30 30 GLU H H 360 8.340 8.340 8.646 -0.306 17742 3615 1 6 . 1 1 31 31 SER N N 361 113.301 113.301 113.174 0.127 17742 3616 1 6 . 1 1 31 31 SER HA H 361 4.494 4.494 4.391 0.103 17742 3617 1 6 . 1 1 31 31 SER C C 361 172.357 172.357 174.767 -2.410 17742 3618 1 6 . 1 1 31 31 SER CA C 361 58.807 58.807 58.762 0.045 17742 3619 1 6 . 1 1 31 31 SER CB C 361 63.768 63.768 63.425 0.343 17742 3620 1 6 . 1 1 31 31 SER H H 361 7.463 7.463 8.113 -0.650 17742 3621 1 6 . 1 1 32 32 LYS N N 362 115.170 115.170 115.269 -0.099 17742 3622 1 6 . 1 1 32 32 LYS HA H 362 3.910 3.910 4.271 -0.361 17742 3623 1 6 . 1 1 32 32 LYS C C 362 175.500 175.500 175.454 0.046 17742 3624 1 6 . 1 1 32 32 LYS CA C 362 57.630 57.630 56.795 0.835 17742 3625 1 6 . 1 1 32 32 LYS CB C 362 29.801 29.801 30.055 -0.254 17742 3626 1 6 . 1 1 32 32 LYS H H 362 7.752 7.752 7.726 0.026 17742 3627 1 6 . 1 1 33 33 ILE N N 363 118.274 118.274 121.121 -2.847 17742 3628 1 6 . 1 1 33 33 ILE HA H 363 5.375 5.375 4.987 0.388 17742 3629 1 6 . 1 1 33 33 ILE C C 363 177.068 177.068 175.964 1.104 17742 3630 1 6 . 1 1 33 33 ILE CA C 363 60.428 60.428 59.825 0.603 17742 3631 1 6 . 1 1 33 33 ILE CB C 363 40.206 40.206 37.130 3.075 17742 3632 1 6 . 1 1 33 33 ILE H H 363 8.262 8.262 8.199 0.063 17742 3633 1 6 . 1 1 34 34 PHE N N 364 128.285 128.285 126.699 1.586 17742 3634 1 6 . 1 1 34 34 PHE HA H 364 5.566 5.566 5.296 0.270 17742 3635 1 6 . 1 1 34 34 PHE C C 364 179.560 179.560 172.967 6.593 17742 3636 1 6 . 1 1 34 34 PHE CA C 364 55.080 55.080 55.160 -0.079 17742 3637 1 6 . 1 1 34 34 PHE CB C 364 44.097 44.097 42.663 1.434 17742 3638 1 6 . 1 1 34 34 PHE H H 364 9.936 9.936 9.351 0.585 17742 3639 1 6 . 1 1 35 35 ARG N N 365 120.953 120.953 123.843 -2.890 17742 3640 1 6 . 1 1 35 35 ARG HA H 365 5.484 5.484 4.589 0.895 17742 3641 1 6 . 1 1 35 35 ARG C C 365 176.522 176.522 174.606 1.916 17742 3642 1 6 . 1 1 35 35 ARG CA C 365 53.584 53.584 53.629 -0.045 17742 3643 1 6 . 1 1 35 35 ARG CB C 365 36.439 36.439 33.448 2.991 17742 3644 1 6 . 1 1 35 35 ARG H H 365 9.430 9.430 9.111 0.319 17742 3645 1 6 . 1 1 36 36 ILE N N 366 125.455 125.455 128.625 -3.170 17742 3646 1 6 . 1 1 36 36 ILE HA H 366 4.201 4.201 4.023 0.178 17742 3647 1 6 . 1 1 36 36 ILE C C 366 173.923 173.923 175.293 -1.370 17742 3648 1 6 . 1 1 36 36 ILE CA C 366 63.110 63.110 62.235 0.875 17742 3649 1 6 . 1 1 36 36 ILE CB C 366 37.964 37.964 37.406 0.559 17742 3650 1 6 . 1 1 36 36 ILE H H 366 8.639 8.639 8.111 0.528 17742 3651 1 6 . 1 1 37 37 VAL N N 367 129.251 129.251 128.175 1.076 17742 3652 1 6 . 1 1 37 37 VAL HA H 367 3.674 3.674 3.856 -0.182 17742 3653 1 6 . 1 1 37 37 VAL C C 367 175.948 175.948 176.200 -0.252 17742 3654 1 6 . 1 1 37 37 VAL CA C 367 64.171 64.171 64.977 -0.806 17742 3655 1 6 . 1 1 37 37 VAL CB C 367 32.870 32.870 32.106 0.764 17742 3656 1 6 . 1 1 37 37 VAL H H 367 7.839 7.839 8.581 -0.742 17742 3657 1 6 . 1 1 38 38 ASP N N 368 114.991 114.991 119.711 -4.720 17742 3658 1 6 . 1 1 38 38 ASP HA H 368 5.213 5.213 4.995 0.218 17742 3659 1 6 . 1 1 38 38 ASP CA C 368 50.242 50.242 50.698 -0.456 17742 3660 1 6 . 1 1 38 38 ASP CB C 368 42.169 42.169 42.118 0.051 17742 3661 1 6 . 1 1 38 38 ASP H H 368 7.279 7.279 7.943 -0.664 17742 3662 1 6 . 1 1 39 39 PRO HA H 369 3.794 3.794 4.387 -0.593 17742 3663 1 6 . 1 1 39 39 PRO C C 369 178.037 178.037 178.185 -0.148 17742 3664 1 6 . 1 1 39 39 PRO CA C 369 65.619 65.619 65.549 0.071 17742 3665 1 6 . 1 1 39 39 PRO CB C 369 31.057 31.057 31.994 -0.938 17742 3666 1 6 . 1 1 40 40 ASN N N 370 115.439 115.439 115.581 -0.142 17742 3667 1 6 . 1 1 40 40 ASN HA H 370 4.596 4.596 4.597 -0.001 17742 3668 1 6 . 1 1 40 40 ASN C C 370 178.570 178.570 177.814 0.756 17742 3669 1 6 . 1 1 40 40 ASN CA C 370 56.501 56.501 56.693 -0.192 17742 3670 1 6 . 1 1 40 40 ASN CB C 370 38.012 38.012 38.229 -0.217 17742 3671 1 6 . 1 1 40 40 ASN H H 370 8.121 8.121 8.515 -0.394 17742 3672 1 6 . 1 1 41 41 GLY N N 371 111.317 111.317 108.997 2.320 17742 3673 1 6 . 1 1 41 41 GLY C C 371 176.090 176.090 176.686 -0.596 17742 3674 1 6 . 1 1 41 41 GLY CA C 371 47.932 47.932 47.083 0.849 17742 3675 1 6 . 1 1 41 41 GLY H H 371 8.622 8.622 8.868 -0.246 17742 3676 1 6 . 1 1 42 42 LEU N N 372 122.892 122.892 123.847 -0.955 17742 3677 1 6 . 1 1 42 42 LEU HA H 372 4.031 4.031 4.274 -0.243 17742 3678 1 6 . 1 1 42 42 LEU C C 372 177.766 177.766 178.878 -1.112 17742 3679 1 6 . 1 1 42 42 LEU CA C 372 57.830 57.830 57.894 -0.064 17742 3680 1 6 . 1 1 42 42 LEU CB C 372 42.132 42.132 41.315 0.817 17742 3681 1 6 . 1 1 42 42 LEU H H 372 8.881 8.881 8.753 0.128 17742 3682 1 6 . 1 1 43 43 ALA N N 373 120.112 120.112 121.161 -1.049 17742 3683 1 6 . 1 1 43 43 ALA HA H 373 4.458 4.458 4.140 0.318 17742 3684 1 6 . 1 1 43 43 ALA C C 373 179.093 179.093 180.257 -1.164 17742 3685 1 6 . 1 1 43 43 ALA CA C 373 55.451 55.451 55.105 0.346 17742 3686 1 6 . 1 1 43 43 ALA CB C 373 18.324 18.324 18.524 -0.200 17742 3687 1 6 . 1 1 43 43 ALA H H 373 8.072 8.072 8.639 -0.567 17742 3688 1 6 . 1 1 44 44 ARG N N 374 117.916 117.916 118.852 -0.936 17742 3689 1 6 . 1 1 44 44 ARG HA H 374 4.093 4.093 4.191 -0.098 17742 3690 1 6 . 1 1 44 44 ARG C C 374 179.473 179.473 179.070 0.403 17742 3691 1 6 . 1 1 44 44 ARG CA C 374 59.372 59.372 59.269 0.103 17742 3692 1 6 . 1 1 44 44 ARG CB C 374 30.114 30.114 30.356 -0.242 17742 3693 1 6 . 1 1 44 44 ARG H H 374 7.769 7.769 7.933 -0.164 17742 3694 1 6 . 1 1 45 45 LEU N N 375 121.489 121.489 121.477 0.012 17742 3695 1 6 . 1 1 45 45 LEU HA H 375 4.007 4.007 4.024 -0.017 17742 3696 1 6 . 1 1 45 45 LEU C C 375 180.049 180.049 178.761 1.288 17742 3697 1 6 . 1 1 45 45 LEU CA C 375 58.390 58.390 58.391 -0.001 17742 3698 1 6 . 1 1 45 45 LEU CB C 375 41.552 41.552 41.779 -0.227 17742 3699 1 6 . 1 1 45 45 LEU H H 375 7.903 7.903 8.712 -0.809 17742 3700 1 6 . 1 1 46 46 TRP N N 376 121.466 121.466 120.919 0.547 17742 3701 1 6 . 1 1 46 46 TRP HA H 376 4.089 4.089 3.723 0.366 17742 3702 1 6 . 1 1 46 46 TRP C C 376 177.939 177.939 178.329 -0.390 17742 3703 1 6 . 1 1 46 46 TRP CA C 376 60.022 60.022 60.889 -0.867 17742 3704 1 6 . 1 1 46 46 TRP CB C 376 28.817 28.817 29.047 -0.231 17742 3705 1 6 . 1 1 46 46 TRP H H 376 8.633 8.633 8.611 0.022 17742 3706 1 6 . 1 1 47 47 GLY N N 377 105.142 105.142 106.587 -1.445 17742 3707 1 6 . 1 1 47 47 GLY C C 377 176.128 176.128 175.661 0.467 17742 3708 1 6 . 1 1 47 47 GLY CA C 377 48.035 48.035 47.130 0.905 17742 3709 1 6 . 1 1 47 47 GLY H H 377 8.828 8.828 8.606 0.222 17742 3710 1 6 . 1 1 48 48 ASN N N 378 120.327 120.327 121.663 -1.336 17742 3711 1 6 . 1 1 48 48 ASN HA H 378 4.402 4.402 4.338 0.064 17742 3712 1 6 . 1 1 48 48 ASN C C 378 178.625 178.625 177.766 0.859 17742 3713 1 6 . 1 1 48 48 ASN CA C 378 56.231 56.231 55.773 0.458 17742 3714 1 6 . 1 1 48 48 ASN CB C 378 38.132 38.132 38.344 -0.212 17742 3715 1 6 . 1 1 48 48 ASN H H 378 8.212 8.212 8.207 0.005 17742 3716 1 6 . 1 1 49 49 HIS N N 379 121.871 121.871 120.680 1.191 17742 3717 1 6 . 1 1 49 49 HIS HA H 379 4.205 4.205 4.240 -0.035 17742 3718 1 6 . 1 1 49 49 HIS C C 379 176.086 176.086 176.528 -0.442 17742 3719 1 6 . 1 1 49 49 HIS CA C 379 59.390 59.390 58.587 0.802 17742 3720 1 6 . 1 1 49 49 HIS CB C 379 29.564 29.564 29.437 0.127 17742 3721 1 6 . 1 1 49 49 HIS H H 379 8.094 8.094 7.868 0.226 17742 3722 1 6 . 1 1 50 50 LYS N N 380 115.181 115.181 115.689 -0.508 17742 3723 1 6 . 1 1 50 50 LYS HA H 380 3.911 3.911 3.961 -0.050 17742 3724 1 6 . 1 1 50 50 LYS C C 380 175.348 175.348 175.324 0.024 17742 3725 1 6 . 1 1 50 50 LYS CA C 380 53.632 53.632 54.411 -0.779 17742 3726 1 6 . 1 1 50 50 LYS CB C 380 30.742 30.742 30.767 -0.025 17742 3727 1 6 . 1 1 50 50 LYS H H 380 7.482 7.482 7.346 0.136 17742 3728 1 6 . 1 1 51 51 ASN N N 381 116.362 116.362 116.380 -0.018 17742 3729 1 6 . 1 1 51 51 ASN HA H 381 4.259 4.259 4.163 0.096 17742 3730 1 6 . 1 1 51 51 ASN C C 381 174.400 174.400 174.233 0.167 17742 3731 1 6 . 1 1 51 51 ASN CA C 381 54.312 54.312 54.155 0.157 17742 3732 1 6 . 1 1 51 51 ASN CB C 381 37.272 37.272 37.584 -0.312 17742 3733 1 6 . 1 1 51 51 ASN H H 381 7.753 7.753 7.658 0.095 17742 3734 1 6 . 1 1 52 52 ARG N N 382 117.723 117.723 116.906 0.817 17742 3735 1 6 . 1 1 52 52 ARG HA H 382 4.658 4.658 4.659 -0.001 17742 3736 1 6 . 1 1 52 52 ARG C C 382 176.209 176.209 175.817 0.392 17742 3737 1 6 . 1 1 52 52 ARG CA C 382 53.668 53.668 53.815 -0.147 17742 3738 1 6 . 1 1 52 52 ARG CB C 382 32.212 32.212 31.967 0.245 17742 3739 1 6 . 1 1 52 52 ARG H H 382 8.476 8.476 7.965 0.511 17742 3740 1 6 . 1 1 53 53 THR N N 383 114.109 114.109 114.555 -0.446 17742 3741 1 6 . 1 1 53 53 THR HA H 383 4.221 4.221 4.403 -0.182 17742 3742 1 6 . 1 1 53 53 THR C C 383 174.644 174.644 175.900 -1.256 17742 3743 1 6 . 1 1 53 53 THR CA C 383 62.187 62.187 62.651 -0.464 17742 3744 1 6 . 1 1 53 53 THR CB C 383 69.710 69.710 69.958 -0.248 17742 3745 1 6 . 1 1 53 53 THR H H 383 8.333 8.333 9.511 -1.178 17742 3746 1 6 . 1 1 54 54 ASN N N 384 118.768 118.768 121.979 -3.211 17742 3747 1 6 . 1 1 54 54 ASN HA H 384 4.609 4.609 4.866 -0.257 17742 3748 1 6 . 1 1 54 54 ASN C C 384 174.975 174.975 173.743 1.232 17742 3749 1 6 . 1 1 54 54 ASN CA C 384 53.193 53.193 53.078 0.115 17742 3750 1 6 . 1 1 54 54 ASN CB C 384 37.632 37.632 37.978 -0.346 17742 3751 1 6 . 1 1 54 54 ASN H H 384 8.521 8.521 8.344 0.177 17742 3752 1 6 . 1 1 55 55 MET N N 385 119.621 119.621 123.941 -4.320 17742 3753 1 6 . 1 1 55 55 MET HA H 385 4.566 4.566 4.666 -0.100 17742 3754 1 6 . 1 1 55 55 MET C C 385 175.078 175.078 174.735 0.343 17742 3755 1 6 . 1 1 55 55 MET CA C 385 55.298 55.298 54.296 1.002 17742 3756 1 6 . 1 1 55 55 MET CB C 385 31.244 31.244 33.502 -2.258 17742 3757 1 6 . 1 1 55 55 MET H H 385 8.162 8.162 7.733 0.429 17742 3758 1 6 . 1 1 56 56 THR N N 386 113.114 113.114 122.617 -9.503 17742 3759 1 6 . 1 1 56 56 THR HA H 386 4.824 4.824 4.534 0.290 17742 3760 1 6 . 1 1 56 56 THR C C 386 175.549 175.549 175.451 0.098 17742 3761 1 6 . 1 1 56 56 THR CA C 386 59.060 59.060 61.565 -2.505 17742 3762 1 6 . 1 1 56 56 THR CB C 386 72.290 72.290 70.794 1.496 17742 3763 1 6 . 1 1 56 56 THR H H 386 7.031 7.031 8.281 -1.250 17742 3764 1 6 . 1 1 57 57 TYR N N 387 123.401 123.401 125.541 -2.140 17742 3765 1 6 . 1 1 57 57 TYR HA H 387 4.134 4.134 4.118 0.016 17742 3766 1 6 . 1 1 57 57 TYR C C 387 177.304 177.304 177.281 0.023 17742 3767 1 6 . 1 1 57 57 TYR CA C 387 62.300 62.300 63.281 -0.981 17742 3768 1 6 . 1 1 57 57 TYR CB C 387 37.359 37.359 38.673 -1.314 17742 3769 1 6 . 1 1 57 57 TYR H H 387 9.691 9.691 9.121 0.570 17742 3770 1 6 . 1 1 58 58 GLU N N 388 120.999 120.999 117.223 3.776 17742 3771 1 6 . 1 1 58 58 GLU HA H 388 3.823 3.823 4.139 -0.316 17742 3772 1 6 . 1 1 58 58 GLU C C 388 179.213 179.213 179.257 -0.044 17742 3773 1 6 . 1 1 58 58 GLU CA C 388 60.477 60.477 59.935 0.542 17742 3774 1 6 . 1 1 58 58 GLU CB C 388 28.895 28.895 28.540 0.355 17742 3775 1 6 . 1 1 58 58 GLU H H 388 8.838 8.838 9.140 -0.302 17742 3776 1 6 . 1 1 59 59 LYS N N 389 118.962 118.962 117.825 1.137 17742 3777 1 6 . 1 1 59 59 LYS HA H 389 3.939 3.939 4.193 -0.254 17742 3778 1 6 . 1 1 59 59 LYS C C 389 178.797 178.797 178.606 0.191 17742 3779 1 6 . 1 1 59 59 LYS CA C 389 60.065 60.065 58.700 1.365 17742 3780 1 6 . 1 1 59 59 LYS CB C 389 33.378 33.378 32.585 0.793 17742 3781 1 6 . 1 1 59 59 LYS H H 389 7.506 7.506 7.944 -0.438 17742 3782 1 6 . 1 1 60 60 MET N N 390 120.087 120.087 119.546 0.541 17742 3783 1 6 . 1 1 60 60 MET HA H 390 3.869 3.869 4.318 -0.449 17742 3784 1 6 . 1 1 60 60 MET C C 390 178.146 178.146 177.448 0.698 17742 3785 1 6 . 1 1 60 60 MET CA C 390 59.776 59.776 58.064 1.712 17742 3786 1 6 . 1 1 60 60 MET CB C 390 33.462 33.462 33.376 0.086 17742 3787 1 6 . 1 1 60 60 MET H H 390 8.051 8.051 7.858 0.193 17742 3788 1 6 . 1 1 61 61 SER N N 391 114.537 114.537 115.467 -0.930 17742 3789 1 6 . 1 1 61 61 SER HA H 391 3.786 3.786 3.817 -0.031 17742 3790 1 6 . 1 1 61 61 SER C C 391 176.380 176.380 175.935 0.445 17742 3791 1 6 . 1 1 61 61 SER CA C 391 61.600 61.600 60.901 0.699 17742 3792 1 6 . 1 1 61 61 SER CB C 391 62.251 62.251 62.977 -0.726 17742 3793 1 6 . 1 1 61 61 SER H H 391 8.853 8.853 8.663 0.190 17742 3794 1 6 . 1 1 62 62 ARG N N 392 122.214 122.214 121.153 1.061 17742 3795 1 6 . 1 1 62 62 ARG HA H 392 3.928 3.928 4.050 -0.122 17742 3796 1 6 . 1 1 62 62 ARG C C 392 178.732 178.732 178.151 0.581 17742 3797 1 6 . 1 1 62 62 ARG CA C 392 59.490 59.490 58.403 1.087 17742 3798 1 6 . 1 1 62 62 ARG CB C 392 30.207 30.207 29.252 0.955 17742 3799 1 6 . 1 1 62 62 ARG H H 392 7.471 7.471 7.703 -0.232 17742 3800 1 6 . 1 1 63 63 ALA N N 393 121.091 121.091 121.543 -0.452 17742 3801 1 6 . 1 1 63 63 ALA HA H 393 4.162 4.162 4.220 -0.058 17742 3802 1 6 . 1 1 63 63 ALA C C 393 179.699 179.699 179.288 0.411 17742 3803 1 6 . 1 1 63 63 ALA CA C 393 54.722 54.722 54.362 0.360 17742 3804 1 6 . 1 1 63 63 ALA CB C 393 18.154 18.154 18.417 -0.263 17742 3805 1 6 . 1 1 63 63 ALA H H 393 7.376 7.376 7.500 -0.124 17742 3806 1 6 . 1 1 64 64 LEU N N 394 117.568 117.568 118.918 -1.350 17742 3807 1 6 . 1 1 64 64 LEU HA H 394 3.777 3.777 2.908 0.869 17742 3808 1 6 . 1 1 64 64 LEU C C 394 178.085 178.085 178.297 -0.212 17742 3809 1 6 . 1 1 64 64 LEU CA C 394 58.075 58.075 56.667 1.408 17742 3810 1 6 . 1 1 64 64 LEU CB C 394 41.052 41.052 41.089 -0.037 17742 3811 1 6 . 1 1 64 64 LEU H H 394 7.853 7.853 7.013 0.840 17742 3812 1 6 . 1 1 65 65 ARG N N 395 116.111 116.111 118.485 -2.374 17742 3813 1 6 . 1 1 65 65 ARG HA H 395 3.529 3.529 4.041 -0.512 17742 3814 1 6 . 1 1 65 65 ARG C C 395 179.519 179.519 178.601 0.918 17742 3815 1 6 . 1 1 65 65 ARG CA C 395 59.133 59.133 58.731 0.402 17742 3816 1 6 . 1 1 65 65 ARG CB C 395 30.004 30.004 29.395 0.609 17742 3817 1 6 . 1 1 65 65 ARG H H 395 7.521 7.521 8.167 -0.646 17742 3818 1 6 . 1 1 66 66 HIS N N 396 118.081 118.081 117.151 0.930 17742 3819 1 6 . 1 1 66 66 HIS HA H 396 4.436 4.436 4.419 0.017 17742 3820 1 6 . 1 1 66 66 HIS C C 396 177.826 177.826 177.872 -0.046 17742 3821 1 6 . 1 1 66 66 HIS CA C 396 59.063 59.063 60.033 -0.970 17742 3822 1 6 . 1 1 66 66 HIS CB C 396 30.154 30.154 30.082 0.072 17742 3823 1 6 . 1 1 66 66 HIS H H 396 7.241 7.241 7.782 -0.541 17742 3824 1 6 . 1 1 67 67 TYR N N 397 116.301 116.301 119.062 -2.761 17742 3825 1 6 . 1 1 67 67 TYR HA H 397 4.128 4.128 4.264 -0.136 17742 3826 1 6 . 1 1 67 67 TYR C C 397 179.075 179.075 178.133 0.942 17742 3827 1 6 . 1 1 67 67 TYR CA C 397 61.525 61.525 58.924 2.601 17742 3828 1 6 . 1 1 67 67 TYR CB C 397 37.522 37.522 36.551 0.971 17742 3829 1 6 . 1 1 67 67 TYR H H 397 7.532 7.532 7.833 -0.301 17742 3830 1 6 . 1 1 68 68 TYR N N 398 121.389 121.389 117.474 3.915 17742 3831 1 6 . 1 1 68 68 TYR HA H 398 5.474 5.474 4.846 0.628 17742 3832 1 6 . 1 1 68 68 TYR C C 398 172.285 172.285 177.903 -5.618 17742 3833 1 6 . 1 1 68 68 TYR CA C 398 57.651 57.651 59.027 -1.376 17742 3834 1 6 . 1 1 68 68 TYR CB C 398 37.055 37.055 37.663 -0.608 17742 3835 1 6 . 1 1 68 68 TYR H H 398 8.061 8.061 7.483 0.578 17742 3836 1 6 . 1 1 69 69 LYS N N 399 121.098 121.098 118.207 2.891 17742 3837 1 6 . 1 1 69 69 LYS HA H 399 4.125 4.125 4.289 -0.164 17742 3838 1 6 . 1 1 69 69 LYS C C 399 178.122 178.122 177.837 0.285 17742 3839 1 6 . 1 1 69 69 LYS CA C 399 58.801 58.801 56.972 1.829 17742 3840 1 6 . 1 1 69 69 LYS CB C 399 32.242 32.242 32.377 -0.135 17742 3841 1 6 . 1 1 69 69 LYS H H 399 7.799 7.799 7.744 0.055 17742 3842 1 6 . 1 1 70 70 LEU N N 400 116.117 116.117 119.108 -2.991 17742 3843 1 6 . 1 1 70 70 LEU HA H 400 4.312 4.312 4.234 0.078 17742 3844 1 6 . 1 1 70 70 LEU C C 400 175.903 175.903 176.262 -0.359 17742 3845 1 6 . 1 1 70 70 LEU CA C 400 54.642 54.642 55.187 -0.545 17742 3846 1 6 . 1 1 70 70 LEU CB C 400 42.796 42.796 41.444 1.352 17742 3847 1 6 . 1 1 70 70 LEU H H 400 7.257 7.257 8.474 -1.217 17742 3848 1 6 . 1 1 71 71 ASN N N 401 115.181 115.181 112.463 2.718 17742 3849 1 6 . 1 1 71 71 ASN HA H 401 4.368 4.368 4.368 0.000 17742 3850 1 6 . 1 1 71 71 ASN C C 401 173.597 173.597 175.766 -2.169 17742 3851 1 6 . 1 1 71 71 ASN CA C 401 54.622 54.622 54.287 0.335 17742 3852 1 6 . 1 1 71 71 ASN CB C 401 37.252 37.252 36.057 1.194 17742 3853 1 6 . 1 1 71 71 ASN H H 401 8.061 8.061 8.369 -0.308 17742 3854 1 6 . 1 1 72 72 ILE N N 402 114.031 114.031 117.222 -3.191 17742 3855 1 6 . 1 1 72 72 ILE HA H 402 4.128 4.128 3.929 0.199 17742 3856 1 6 . 1 1 72 72 ILE C C 402 176.467 176.467 175.577 0.890 17742 3857 1 6 . 1 1 72 72 ILE CA C 402 63.720 63.720 64.287 -0.567 17742 3858 1 6 . 1 1 72 72 ILE CB C 402 40.491 40.491 38.944 1.547 17742 3859 1 6 . 1 1 72 72 ILE H H 402 8.104 8.104 8.337 -0.233 17742 3860 1 6 . 1 1 73 73 ILE N N 403 116.973 116.973 116.513 0.460 17742 3861 1 6 . 1 1 73 73 ILE HA H 403 5.014 5.014 5.199 -0.185 17742 3862 1 6 . 1 1 73 73 ILE C C 403 174.039 174.039 174.010 0.029 17742 3863 1 6 . 1 1 73 73 ILE CA C 403 59.357 59.357 59.449 -0.092 17742 3864 1 6 . 1 1 73 73 ILE CB C 403 43.362 43.362 42.021 1.341 17742 3865 1 6 . 1 1 73 73 ILE H H 403 7.099 7.099 7.570 -0.471 17742 3866 1 6 . 1 1 74 74 ARG N N 404 123.639 123.639 125.310 -1.671 17742 3867 1 6 . 1 1 74 74 ARG HA H 404 4.771 4.771 4.966 -0.195 17742 3868 1 6 . 1 1 74 74 ARG C C 404 174.917 174.917 173.653 1.264 17742 3869 1 6 . 1 1 74 74 ARG CA C 404 54.261 54.261 53.834 0.427 17742 3870 1 6 . 1 1 74 74 ARG CB C 404 34.689 34.689 33.933 0.756 17742 3871 1 6 . 1 1 74 74 ARG H H 404 8.983 8.983 8.669 0.314 17742 3872 1 6 . 1 1 75 75 LYS N N 405 125.665 125.665 121.739 3.926 17742 3873 1 6 . 1 1 75 75 LYS HA H 405 4.071 4.071 4.644 -0.573 17742 3874 1 6 . 1 1 75 75 LYS C C 405 176.525 176.525 176.157 0.368 17742 3875 1 6 . 1 1 75 75 LYS CA C 405 56.470 56.470 55.554 0.916 17742 3876 1 6 . 1 1 75 75 LYS CB C 405 32.649 32.649 33.723 -1.074 17742 3877 1 6 . 1 1 75 75 LYS H H 405 8.263 8.263 8.400 -0.137 17742 3878 1 6 . 1 1 76 76 GLU N N 406 128.072 128.072 126.294 1.778 17742 3879 1 6 . 1 1 76 76 GLU HA H 406 4.432 4.432 4.374 0.058 17742 3880 1 6 . 1 1 76 76 GLU CA C 406 53.747 53.747 54.201 -0.454 17742 3881 1 6 . 1 1 76 76 GLU CB C 406 29.914 29.914 29.125 0.789 17742 3882 1 6 . 1 1 76 76 GLU H H 406 8.024 8.024 8.678 -0.654 17742 3883 1 6 . 1 1 77 77 PRO HA H 407 4.282 4.282 4.238 0.044 17742 3884 1 6 . 1 1 77 77 PRO C C 407 177.719 177.719 177.553 0.166 17742 3885 1 6 . 1 1 77 77 PRO CA C 407 63.407 63.407 63.857 -0.450 17742 3886 1 6 . 1 1 77 77 PRO CB C 407 32.184 32.184 31.105 1.079 17742 3887 1 6 . 1 1 78 78 GLY N N 408 109.716 109.716 113.551 -3.835 17742 3888 1 6 . 1 1 78 78 GLY C C 408 174.053 174.053 173.991 0.062 17742 3889 1 6 . 1 1 78 78 GLY CA C 408 45.519 45.519 44.866 0.653 17742 3890 1 6 . 1 1 78 78 GLY H H 408 8.531 8.531 8.627 -0.096 17742 3891 1 6 . 1 1 79 79 GLN N N 409 116.964 116.964 118.218 -1.254 17742 3892 1 6 . 1 1 79 79 GLN HA H 409 4.488 4.488 4.621 -0.133 17742 3893 1 6 . 1 1 79 79 GLN C C 409 175.390 175.390 174.833 0.557 17742 3894 1 6 . 1 1 79 79 GLN CA C 409 54.359 54.359 54.064 0.295 17742 3895 1 6 . 1 1 79 79 GLN CB C 409 31.202 31.202 31.499 -0.297 17742 3896 1 6 . 1 1 79 79 GLN H H 409 7.559 7.559 7.569 -0.010 17742 3897 1 6 . 1 1 80 80 ARG N N 410 120.457 120.457 120.529 -0.072 17742 3898 1 6 . 1 1 80 80 ARG HA H 410 4.262 4.262 4.175 0.087 17742 3899 1 6 . 1 1 80 80 ARG C C 410 176.270 176.270 176.969 -0.699 17742 3900 1 6 . 1 1 80 80 ARG CA C 410 56.821 56.821 56.644 0.177 17742 3901 1 6 . 1 1 80 80 ARG CB C 410 31.502 31.502 29.638 1.864 17742 3902 1 6 . 1 1 80 80 ARG H H 410 8.251 8.251 8.441 -0.190 17742 3903 1 6 . 1 1 81 81 LEU N N 411 119.348 119.348 120.934 -1.586 17742 3904 1 6 . 1 1 81 81 LEU HA H 411 4.023 4.023 4.337 -0.314 17742 3905 1 6 . 1 1 81 81 LEU C C 411 173.279 173.279 175.538 -2.259 17742 3906 1 6 . 1 1 81 81 LEU CA C 411 55.030 55.030 53.782 1.248 17742 3907 1 6 . 1 1 81 81 LEU CB C 411 40.335 40.335 40.642 -0.307 17742 3908 1 6 . 1 1 81 81 LEU H H 411 8.435 8.435 8.236 0.199 17742 3909 1 6 . 1 1 82 82 LEU N N 412 119.070 119.070 121.283 -2.213 17742 3910 1 6 . 1 1 82 82 LEU HA H 412 5.013 5.013 4.249 0.764 17742 3911 1 6 . 1 1 82 82 LEU C C 412 175.361 175.361 175.833 -0.472 17742 3912 1 6 . 1 1 82 82 LEU CA C 412 53.212 53.212 54.228 -1.016 17742 3913 1 6 . 1 1 82 82 LEU CB C 412 45.471 45.471 41.250 4.221 17742 3914 1 6 . 1 1 82 82 LEU H H 412 6.751 6.751 7.387 -0.636 17742 3915 1 6 . 1 1 83 83 PHE N N 413 122.184 122.184 124.569 -2.385 17742 3916 1 6 . 1 1 83 83 PHE HA H 413 4.865 4.865 5.430 -0.565 17742 3917 1 6 . 1 1 83 83 PHE C C 413 172.849 172.849 174.582 -1.733 17742 3918 1 6 . 1 1 83 83 PHE CA C 413 55.921 55.921 54.355 1.566 17742 3919 1 6 . 1 1 83 83 PHE CB C 413 44.569 44.569 42.635 1.934 17742 3920 1 6 . 1 1 83 83 PHE H H 413 8.661 8.661 8.904 -0.243 17742 3921 1 6 . 1 1 84 84 ARG N N 414 119.461 119.461 119.859 -0.398 17742 3922 1 6 . 1 1 84 84 ARG HA H 414 5.581 5.581 5.276 0.305 17742 3923 1 6 . 1 1 84 84 ARG C C 414 177.641 177.641 174.935 2.706 17742 3924 1 6 . 1 1 84 84 ARG CA C 414 54.239 54.239 55.358 -1.119 17742 3925 1 6 . 1 1 84 84 ARG CB C 414 36.198 36.198 34.033 2.165 17742 3926 1 6 . 1 1 84 84 ARG H H 414 9.098 9.098 9.022 0.076 17742 3927 1 6 . 1 1 85 85 PHE N N 415 124.274 124.274 128.128 -3.854 17742 3928 1 6 . 1 1 85 85 PHE HA H 415 5.027 5.027 4.989 0.038 17742 3929 1 6 . 1 1 85 85 PHE C C 415 176.117 176.117 176.201 -0.084 17742 3930 1 6 . 1 1 85 85 PHE CA C 415 59.657 59.657 59.468 0.189 17742 3931 1 6 . 1 1 85 85 PHE CB C 415 40.819 40.819 38.755 2.064 17742 3932 1 6 . 1 1 85 85 PHE H H 415 8.928 8.928 9.478 -0.550 17742 3933 1 6 . 1 1 86 86 MET N N 416 121.081 121.081 123.038 -1.957 17742 3934 1 6 . 1 1 86 86 MET HA H 416 4.656 4.656 4.402 0.254 17742 3935 1 6 . 1 1 86 86 MET C C 416 176.444 176.444 176.641 -0.197 17742 3936 1 6 . 1 1 86 86 MET CA C 416 54.681 54.681 56.040 -1.359 17742 3937 1 6 . 1 1 86 86 MET CB C 416 31.698 31.698 32.615 -0.918 17742 3938 1 6 . 1 1 86 86 MET H H 416 8.676 8.676 8.839 -0.163 17742 3939 1 6 . 1 1 87 87 LYS N N 417 117.772 117.772 114.171 3.601 17742 3940 1 6 . 1 1 87 87 LYS HA H 417 4.899 4.899 4.675 0.224 17742 3941 1 6 . 1 1 87 87 LYS C C 417 175.621 175.621 174.818 0.803 17742 3942 1 6 . 1 1 87 87 LYS CA C 417 54.522 54.522 54.570 -0.048 17742 3943 1 6 . 1 1 87 87 LYS CB C 417 37.905 37.905 35.643 2.262 17742 3944 1 6 . 1 1 87 87 LYS H H 417 7.624 7.624 7.412 0.212 17742 3945 1 6 . 1 1 88 88 THR N N 418 112.426 112.426 110.678 1.748 17742 3946 1 6 . 1 1 88 88 THR HA H 418 4.372 4.372 4.460 -0.088 17742 3947 1 6 . 1 1 88 88 THR CA C 418 59.786 59.786 58.149 1.637 17742 3948 1 6 . 1 1 88 88 THR CB C 418 68.040 68.040 68.944 -0.904 17742 3949 1 6 . 1 1 88 88 THR H H 418 8.787 8.787 8.854 -0.067 17742 3950 1 6 . 1 1 89 89 PRO HA H 419 3.654 3.654 3.222 0.432 17742 3951 1 6 . 1 1 89 89 PRO C C 419 177.412 177.412 178.506 -1.094 17742 3952 1 6 . 1 1 89 89 PRO CA C 419 65.712 65.712 66.112 -0.400 17742 3953 1 6 . 1 1 89 89 PRO CB C 419 31.762 31.762 31.631 0.131 17742 3954 1 6 . 1 1 90 90 ASP N N 420 114.221 114.221 115.371 -1.150 17742 3955 1 6 . 1 1 90 90 ASP HA H 420 4.224 4.224 4.334 -0.110 17742 3956 1 6 . 1 1 90 90 ASP C C 420 178.341 178.341 177.678 0.663 17742 3957 1 6 . 1 1 90 90 ASP CA C 420 56.657 56.657 56.474 0.183 17742 3958 1 6 . 1 1 90 90 ASP CB C 420 40.642 40.642 40.572 0.070 17742 3959 1 6 . 1 1 90 90 ASP H H 420 7.958 7.958 8.542 -0.584 17742 3960 1 6 . 1 1 91 91 GLU N N 421 119.443 119.443 118.008 1.435 17742 3961 1 6 . 1 1 91 91 GLU HA H 421 4.006 4.006 4.081 -0.075 17742 3962 1 6 . 1 1 91 91 GLU C C 421 179.238 179.238 179.001 0.237 17742 3963 1 6 . 1 1 91 91 GLU CA C 421 58.458 58.458 58.553 -0.096 17742 3964 1 6 . 1 1 91 91 GLU CB C 421 30.774 30.774 30.032 0.742 17742 3965 1 6 . 1 1 91 91 GLU H H 421 7.628 7.628 7.627 0.001 17742 3966 1 6 . 1 1 92 92 ILE N N 422 120.617 120.617 120.988 -0.371 17742 3967 1 6 . 1 1 92 92 ILE HA H 422 3.589 3.589 3.524 0.065 17742 3968 1 6 . 1 1 92 92 ILE C C 422 178.124 178.124 176.815 1.309 17742 3969 1 6 . 1 1 92 92 ILE CA C 422 63.878 63.878 64.680 -0.802 17742 3970 1 6 . 1 1 92 92 ILE CB C 422 38.142 38.142 37.650 0.492 17742 3971 1 6 . 1 1 92 92 ILE H H 422 7.896 7.896 7.677 0.219 17742 3972 1 6 . 1 1 93 93 MET N N 423 117.857 117.857 115.594 2.263 17742 3973 1 6 . 1 1 93 93 MET HA H 423 4.365 4.365 4.298 0.067 17742 3974 1 6 . 1 1 93 93 MET C C 423 177.009 177.009 176.709 0.300 17742 3975 1 6 . 1 1 93 93 MET CA C 423 56.527 56.527 57.096 -0.569 17742 3976 1 6 . 1 1 93 93 MET CB C 423 32.617 32.617 32.138 0.479 17742 3977 1 6 . 1 1 93 93 MET H H 423 8.161 8.161 8.078 0.083 17742 3978 1 6 . 1 1 94 94 SER N N 424 114.591 114.591 114.330 0.261 17742 3979 1 6 . 1 1 94 94 SER HA H 424 4.406 4.406 4.360 0.046 17742 3980 1 6 . 1 1 94 94 SER C C 424 175.262 175.262 174.906 0.356 17742 3981 1 6 . 1 1 94 94 SER CA C 424 59.482 59.482 57.860 1.622 17742 3982 1 6 . 1 1 94 94 SER CB C 424 63.466 63.466 62.695 0.771 17742 3983 1 6 . 1 1 94 94 SER H H 424 7.744 7.744 7.493 0.251 17742 3984 1 6 . 1 1 95 95 GLY N N 425 109.590 109.590 107.839 1.751 17742 3985 1 6 . 1 1 95 95 GLY C C 425 174.197 174.197 175.143 -0.946 17742 3986 1 6 . 1 1 95 95 GLY CA C 425 45.122 45.122 45.279 -0.157 17742 3987 1 6 . 1 1 95 95 GLY H H 425 7.970 7.970 7.435 0.535 17742 3988 1 6 . 1 1 96 96 ARG N N 426 119.792 119.792 117.473 2.319 17742 3989 1 6 . 1 1 96 96 ARG HA H 426 4.567 4.567 4.777 -0.210 17742 3990 1 6 . 1 1 96 96 ARG C C 426 177.866 177.866 177.021 0.845 17742 3991 1 6 . 1 1 96 96 ARG CA C 426 55.757 55.757 54.801 0.956 17742 3992 1 6 . 1 1 96 96 ARG CB C 426 30.059 30.059 31.085 -1.026 17742 3993 1 6 . 1 1 96 96 ARG H H 426 8.144 8.144 7.802 0.342 17742 3994 1 6 . 1 1 97 97 THR N N 427 114.770 114.770 112.986 1.784 17742 3995 1 6 . 1 1 97 97 THR HA H 427 4.221 4.221 4.245 -0.024 17742 3996 1 6 . 1 1 97 97 THR C C 427 175.449 175.449 175.489 -0.040 17742 3997 1 6 . 1 1 97 97 THR CA C 427 63.411 63.411 65.702 -2.291 17742 3998 1 6 . 1 1 97 97 THR CB C 427 69.080 69.080 68.245 0.835 17742 3999 1 6 . 1 1 97 97 THR H H 427 8.427 8.427 8.054 0.373 17742 4000 1 6 . 1 1 98 98 ASP N N 428 122.017 122.017 122.112 -0.095 17742 4001 1 6 . 1 1 98 98 ASP HA H 428 4.404 4.404 4.285 0.119 17742 4002 1 6 . 1 1 98 98 ASP C C 428 178.042 178.042 177.936 0.106 17742 4003 1 6 . 1 1 98 98 ASP CA C 428 56.438 56.438 57.009 -0.571 17742 4004 1 6 . 1 1 98 98 ASP CB C 428 40.012 40.012 39.739 0.274 17742 4005 1 6 . 1 1 98 98 ASP H H 428 8.659 8.659 8.761 -0.102 17742 4006 1 6 . 1 1 99 99 ARG N N 429 120.083 120.083 119.741 0.342 17742 4007 1 6 . 1 1 99 99 ARG HA H 429 4.190 4.190 4.163 0.027 17742 4008 1 6 . 1 1 99 99 ARG C C 429 178.236 178.236 178.373 -0.137 17742 4009 1 6 . 1 1 99 99 ARG CA C 429 58.307 58.307 59.181 -0.874 17742 4010 1 6 . 1 1 99 99 ARG CB C 429 30.073 30.073 30.268 -0.195 17742 4011 1 6 . 1 1 99 99 ARG H H 429 8.011 8.011 7.697 0.314 17742 4012 1 6 . 1 1 100 100 LEU N N 430 119.784 119.784 119.313 0.471 17742 4013 1 6 . 1 1 100 100 LEU HA H 430 4.048 4.048 4.068 -0.020 17742 4014 1 6 . 1 1 100 100 LEU C C 430 178.209 178.209 178.852 -0.643 17742 4015 1 6 . 1 1 100 100 LEU CA C 430 57.535 57.535 57.735 -0.200 17742 4016 1 6 . 1 1 100 100 LEU CB C 430 42.218 42.218 41.800 0.417 17742 4017 1 6 . 1 1 100 100 LEU H H 430 7.667 7.667 7.283 0.384 17742 4018 1 6 . 1 1 101 101 GLU N N 431 119.434 119.434 118.286 1.148 17742 4019 1 6 . 1 1 101 101 GLU HA H 431 3.962 3.962 4.034 -0.072 17742 4020 1 6 . 1 1 101 101 GLU C C 431 178.773 178.773 179.147 -0.374 17742 4021 1 6 . 1 1 101 101 GLU CA C 431 59.470 59.470 59.354 0.116 17742 4022 1 6 . 1 1 101 101 GLU CB C 431 29.667 29.667 29.521 0.146 17742 4023 1 6 . 1 1 101 101 GLU H H 431 8.339 8.339 8.870 -0.531 17742 4024 1 6 . 1 1 102 102 HIS N N 432 118.026 118.026 118.245 -0.219 17742 4025 1 6 . 1 1 102 102 HIS HA H 432 4.463 4.463 4.450 0.013 17742 4026 1 6 . 1 1 102 102 HIS C C 432 177.322 177.322 177.233 0.089 17742 4027 1 6 . 1 1 102 102 HIS CA C 432 58.432 58.432 58.157 0.275 17742 4028 1 6 . 1 1 102 102 HIS CB C 432 29.237 29.237 30.296 -1.058 17742 4029 1 6 . 1 1 102 102 HIS H H 432 7.995 7.995 7.567 0.428 17742 4030 1 6 . 1 1 103 103 LEU N N 433 120.785 120.785 121.662 -0.877 17742 4031 1 6 . 1 1 103 103 LEU HA H 433 3.971 3.971 4.173 -0.202 17742 4032 1 6 . 1 1 103 103 LEU C C 433 179.014 179.014 178.615 0.399 17742 4033 1 6 . 1 1 103 103 LEU CA C 433 57.570 57.570 57.283 0.287 17742 4034 1 6 . 1 1 103 103 LEU CB C 433 41.606 41.606 41.121 0.485 17742 4035 1 6 . 1 1 103 103 LEU H H 433 8.077 8.077 8.208 -0.131 17742 4036 1 6 . 1 1 104 104 GLU N N 434 119.107 119.107 119.491 -0.384 17742 4037 1 6 . 1 1 104 104 GLU HA H 434 4.025 4.025 3.971 0.054 17742 4038 1 6 . 1 1 104 104 GLU C C 434 178.187 178.187 178.857 -0.670 17742 4039 1 6 . 1 1 104 104 GLU CA C 434 60.221 60.221 60.555 -0.334 17742 4040 1 6 . 1 1 104 104 GLU CB C 434 30.104 30.104 29.191 0.913 17742 4041 1 6 . 1 1 104 104 GLU H H 434 8.443 8.443 8.629 -0.186 17742 4042 1 6 . 1 1 105 105 SER N N 435 114.129 114.129 111.174 2.955 17742 4043 1 6 . 1 1 105 105 SER HA H 435 4.204 4.204 4.039 0.165 17742 4044 1 6 . 1 1 105 105 SER C C 435 175.924 175.924 175.763 0.161 17742 4045 1 6 . 1 1 105 105 SER CA C 435 61.303 61.303 60.652 0.651 17742 4046 1 6 . 1 1 105 105 SER CB C 435 63.070 63.070 62.651 0.419 17742 4047 1 6 . 1 1 105 105 SER H H 435 8.041 8.041 8.292 -0.251 17742 4048 1 6 . 1 1 106 106 GLN N N 436 120.201 120.201 120.506 -0.305 17742 4049 1 6 . 1 1 106 106 GLN HA H 436 4.124 4.124 4.091 0.033 17742 4050 1 6 . 1 1 106 106 GLN C C 436 178.242 178.242 178.619 -0.377 17742 4051 1 6 . 1 1 106 106 GLN CA C 436 58.242 58.242 58.027 0.215 17742 4052 1 6 . 1 1 106 106 GLN CB C 436 29.001 29.001 28.953 0.048 17742 4053 1 6 . 1 1 106 106 GLN H H 436 7.823 7.823 7.479 0.344 17742 4054 1 6 . 1 1 107 107 VAL N N 437 117.503 117.503 121.251 -3.748 17742 4055 1 6 . 1 1 107 107 VAL HA H 437 3.955 3.955 4.004 -0.049 17742 4056 1 6 . 1 1 107 107 VAL C C 437 177.462 177.462 177.335 0.127 17742 4057 1 6 . 1 1 107 107 VAL CA C 437 64.414 64.414 65.497 -1.083 17742 4058 1 6 . 1 1 107 107 VAL CB C 437 32.192 32.192 31.927 0.266 17742 4059 1 6 . 1 1 107 107 VAL H H 437 7.711 7.711 8.566 -0.855 17742 4060 1 6 . 1 1 108 108 LEU HA H 438 4.072 4.072 4.143 -0.071 17742 4061 1 6 . 1 1 108 108 LEU C C 438 177.614 177.614 176.830 0.784 17742 4062 1 6 . 1 1 108 108 LEU CA C 438 56.521 56.521 56.105 0.416 17742 4063 1 6 . 1 1 108 108 LEU CB C 438 42.149 42.149 41.548 0.601 17742 4064 1 6 . 1 1 109 109 ASP N N 439 118.500 118.500 115.890 2.610 17742 4065 1 6 . 1 1 109 109 ASP HA H 439 4.685 4.685 4.759 -0.074 17742 4066 1 6 . 1 1 109 109 ASP C C 439 176.372 176.372 176.793 -0.421 17742 4067 1 6 . 1 1 109 109 ASP CA C 439 54.653 54.653 53.475 1.178 17742 4068 1 6 . 1 1 109 109 ASP CB C 439 41.425 41.425 42.244 -0.819 17742 4069 1 6 . 1 1 109 109 ASP H H 439 7.872 7.872 7.879 -0.007 17742 4070 1 6 . 1 1 110 110 GLU N N 440 120.701 120.701 118.284 2.417 17742 4071 1 6 . 1 1 110 110 GLU HA H 440 4.188 4.188 4.127 0.061 17742 4072 1 6 . 1 1 110 110 GLU C C 440 176.739 176.739 177.307 -0.568 17742 4073 1 6 . 1 1 110 110 GLU CA C 440 57.310 57.310 58.096 -0.786 17742 4074 1 6 . 1 1 110 110 GLU CB C 440 30.091 30.091 29.886 0.205 17742 4075 1 6 . 1 1 110 110 GLU H H 440 7.929 7.929 8.094 -0.165 17742 4076 1 6 . 1 1 111 111 GLN N N 441 120.829 120.829 116.851 3.978 17742 4077 1 6 . 1 1 111 111 GLN HA H 441 4.341 4.341 4.406 -0.065 17742 4078 1 6 . 1 1 111 111 GLN C C 441 176.214 176.214 175.861 0.353 17742 4079 1 6 . 1 1 111 111 GLN CA C 441 56.103 56.103 55.186 0.917 17742 4080 1 6 . 1 1 111 111 GLN CB C 441 29.607 29.607 29.156 0.451 17742 4081 1 6 . 1 1 111 111 GLN H H 441 8.434 8.434 7.719 0.715 17742 4082 1 6 . 1 1 112 112 THR N N 442 114.861 114.861 114.238 0.623 17742 4083 1 6 . 1 1 112 112 THR HA H 442 4.258 4.258 4.260 -0.002 17742 4084 1 6 . 1 1 112 112 THR C C 442 174.095 174.095 174.537 -0.442 17742 4085 1 6 . 1 1 112 112 THR CA C 442 62.140 62.140 64.145 -2.005 17742 4086 1 6 . 1 1 112 112 THR CB C 442 69.870 69.870 69.232 0.638 17742 4087 1 6 . 1 1 112 112 THR H H 442 8.038 8.038 8.452 -0.414 17742 4088 1 6 . 1 1 113 113 TYR N N 443 122.709 122.709 118.229 4.480 17742 4089 1 6 . 1 1 113 113 TYR HA H 443 4.552 4.552 4.718 -0.166 17742 4090 1 6 . 1 1 113 113 TYR C C 443 175.303 175.303 175.520 -0.217 17742 4091 1 6 . 1 1 113 113 TYR CA C 443 57.921 57.921 54.832 3.089 17742 4092 1 6 . 1 1 113 113 TYR CB C 443 38.982 38.982 38.904 0.078 17742 4093 1 6 . 1 1 113 113 TYR H H 443 8.171 8.171 7.732 0.439 17742 4094 1 6 . 1 1 114 114 GLN N N 444 122.768 122.768 120.227 2.541 17742 4095 1 6 . 1 1 114 114 GLN HA H 444 4.284 4.284 4.211 0.073 17742 4096 1 6 . 1 1 114 114 GLN C C 444 175.372 175.372 174.876 0.496 17742 4097 1 6 . 1 1 114 114 GLN CA C 444 55.543 55.543 55.990 -0.447 17742 4098 1 6 . 1 1 114 114 GLN CB C 444 29.894 29.894 26.985 2.909 17742 4099 1 6 . 1 1 114 114 GLN H H 444 8.202 8.202 8.619 -0.417 17742 4100 1 6 . 1 1 115 115 GLU N N 445 122.370 122.370 122.610 -0.240 17742 4101 1 6 . 1 1 115 115 GLU HA H 445 4.225 4.225 3.890 0.335 17742 4102 1 6 . 1 1 115 115 GLU C C 445 176.058 176.058 175.215 0.843 17742 4103 1 6 . 1 1 115 115 GLU CA C 445 56.612 56.612 55.090 1.522 17742 4104 1 6 . 1 1 115 115 GLU CB C 445 30.517 30.517 30.280 0.237 17742 4105 1 6 . 1 1 115 115 GLU H H 445 8.371 8.371 7.631 0.740 17742 4106 1 6 . 1 1 116 116 ASP N N 446 121.090 121.090 126.946 -5.856 17742 4107 1 6 . 1 1 116 116 ASP HA H 446 4.595 4.595 4.579 0.016 17742 4108 1 6 . 1 1 116 116 ASP C C 446 175.872 175.872 175.222 0.650 17742 4109 1 6 . 1 1 116 116 ASP CA C 446 54.382 54.382 55.100 -0.718 17742 4110 1 6 . 1 1 116 116 ASP CB C 446 41.402 41.402 42.381 -0.979 17742 4111 1 6 . 1 1 116 116 ASP H H 446 8.336 8.336 8.686 -0.350 17742 4112 1 6 . 1 1 117 117 GLU N N 447 121.977 121.977 118.409 3.568 17742 4113 1 6 . 1 1 117 117 GLU HA H 447 4.575 4.575 4.719 -0.144 17742 4114 1 6 . 1 1 117 117 GLU CA C 447 54.442 54.442 53.322 1.120 17742 4115 1 6 . 1 1 117 117 GLU CB C 447 30.254 30.254 30.048 0.206 17742 4116 1 6 . 1 1 117 117 GLU H H 447 8.194 8.194 8.065 0.129 17742 4117 1 6 . 1 1 118 118 PRO HA H 448 4.461 4.461 4.610 -0.149 17742 4118 1 6 . 1 1 118 118 PRO C C 448 177.160 177.160 176.276 0.884 17742 4119 1 6 . 1 1 118 118 PRO CA C 448 63.371 63.371 63.001 0.370 17742 4120 1 6 . 1 1 118 118 PRO CB C 448 32.302 32.302 31.079 1.223 17742 4121 1 6 . 1 1 119 119 THR N N 449 114.788 114.788 120.008 -5.220 17742 4122 1 6 . 1 1 119 119 THR HA H 449 4.292 4.292 4.329 -0.037 17742 4123 1 6 . 1 1 119 119 THR C C 449 174.664 174.664 173.700 0.964 17742 4124 1 6 . 1 1 119 119 THR CA C 449 62.117 62.117 62.916 -0.799 17742 4125 1 6 . 1 1 119 119 THR CB C 449 69.861 69.861 68.875 0.986 17742 4126 1 6 . 1 1 119 119 THR H H 449 8.235 8.235 8.313 -0.078 17742 4127 1 6 . 1 1 120 120 ILE N N 450 123.074 123.074 128.104 -5.030 17742 4128 1 6 . 1 1 120 120 ILE HA H 450 4.169 4.169 4.416 -0.247 17742 4129 1 6 . 1 1 120 120 ILE C C 450 175.683 175.683 175.887 -0.204 17742 4130 1 6 . 1 1 120 120 ILE CA C 450 60.987 60.987 59.576 1.411 17742 4131 1 6 . 1 1 120 120 ILE CB C 450 38.983 38.983 36.929 2.054 17742 4132 1 6 . 1 1 120 120 ILE H H 450 8.043 8.043 8.674 -0.631 17742 4133 1 6 . 1 1 121 121 ALA N N 451 128.011 128.011 130.661 -2.650 17742 4134 1 6 . 1 1 121 121 ALA HA H 451 4.332 4.332 4.435 -0.103 17742 4135 1 6 . 1 1 121 121 ALA C C 451 177.333 177.333 177.761 -0.428 17742 4136 1 6 . 1 1 121 121 ALA CA C 451 52.364 52.364 53.355 -0.991 17742 4137 1 6 . 1 1 121 121 ALA CB C 451 19.534 19.534 19.347 0.187 17742 4138 1 6 . 1 1 121 121 ALA H H 451 8.277 8.277 8.525 -0.248 17742 4139 1 6 . 1 1 122 122 SER N N 452 116.575 116.575 112.239 4.336 17742 4140 1 6 . 1 1 122 122 SER HA H 452 4.672 4.672 4.667 0.005 17742 4141 1 6 . 1 1 122 122 SER CA C 452 56.230 56.230 56.521 -0.291 17742 4142 1 6 . 1 1 122 122 SER CB C 452 63.460 63.460 63.919 -0.459 17742 4143 1 6 . 1 1 122 122 SER H H 452 8.161 8.161 7.486 0.675 17742 4144 1 6 . 1 1 123 123 PRO HA H 453 4.395 4.395 4.347 0.048 17742 4145 1 6 . 1 1 123 123 PRO C C 453 176.993 176.993 175.754 1.239 17742 4146 1 6 . 1 1 123 123 PRO CA C 453 63.303 63.303 63.885 -0.582 17742 4147 1 6 . 1 1 123 123 PRO CB C 453 32.149 32.149 31.787 0.362 17742 4148 1 6 . 1 1 124 124 VAL N N 454 119.733 119.733 122.980 -3.247 17742 4149 1 6 . 1 1 124 124 VAL HA H 454 4.010 4.010 4.143 -0.133 17742 4150 1 6 . 1 1 124 124 VAL CA C 454 62.674 62.674 61.335 1.339 17742 4151 1 6 . 1 1 124 124 VAL CB C 454 32.669 32.669 32.847 -0.178 17742 4152 1 6 . 1 1 124 124 VAL H H 454 8.058 8.058 8.089 -0.031 17742 4153 1 6 . 1 1 125 125 GLY N N 455 111.901 111.901 109.263 2.638 17742 4154 1 6 . 1 1 125 125 GLY CA C 455 45.152 45.152 44.635 0.517 17742 4155 1 6 . 1 1 125 125 GLY H H 455 8.255 8.255 7.813 0.442 17742 4156 1 6 . 1 1 126 126 TRP N N 456 122.405 122.405 123.024 -0.619 17742 4157 1 6 . 1 1 126 126 TRP HA H 456 4.929 4.929 4.605 0.324 17742 4158 1 6 . 1 1 126 126 TRP CA C 456 55.029 55.029 55.330 -0.301 17742 4159 1 6 . 1 1 126 126 TRP CB C 456 29.383 29.383 30.127 -0.744 17742 4160 1 6 . 1 1 126 126 TRP H H 456 7.906 7.906 8.336 -0.430 17742 4161 1 6 . 1 1 127 127 PRO HA H 457 4.429 4.429 4.468 -0.039 17742 4162 1 6 . 1 1 127 127 PRO C C 457 175.951 175.951 176.268 -0.317 17742 4163 1 6 . 1 1 127 127 PRO CA C 457 63.558 63.558 63.611 -0.053 17742 4164 1 6 . 1 1 127 127 PRO CB C 457 31.932 31.932 31.959 -0.027 17742 4165 1 7 . 1 1 5 5 ARG N N 335 123.607 123.607 118.033 5.574 17742 4166 1 7 . 1 1 5 5 ARG HA H 335 4.382 4.382 4.723 -0.341 17742 4167 1 7 . 1 1 5 5 ARG CA C 335 56.926 56.926 53.912 3.014 17742 4168 1 7 . 1 1 5 5 ARG H H 335 9.161 9.161 7.965 1.196 17742 4169 1 7 . 1 1 6 6 LEU N N 336 122.412 122.412 114.716 7.696 17742 4170 1 7 . 1 1 6 6 LEU CB C 336 42.172 42.172 40.642 1.530 17742 4171 1 7 . 1 1 6 6 LEU H H 336 8.775 8.775 8.656 0.119 17742 4172 1 7 . 1 1 7 7 LEU HA H 337 3.669 3.669 4.499 -0.830 17742 4173 1 7 . 1 1 7 7 LEU CA C 337 59.053 59.053 58.378 0.675 17742 4174 1 7 . 1 1 7 7 LEU CB C 337 40.447 40.447 42.415 -1.968 17742 4175 1 7 . 1 1 8 8 TRP N N 338 114.197 114.197 117.972 -3.775 17742 4176 1 7 . 1 1 8 8 TRP HA H 338 3.747 3.747 4.595 -0.848 17742 4177 1 7 . 1 1 8 8 TRP CA C 338 60.071 60.071 59.662 0.409 17742 4178 1 7 . 1 1 8 8 TRP CB C 338 28.481 28.481 28.253 0.228 17742 4179 1 7 . 1 1 8 8 TRP H H 338 7.595 7.595 7.258 0.337 17742 4180 1 7 . 1 1 9 9 ASP HA H 339 3.648 3.648 4.618 -0.970 17742 4181 1 7 . 1 1 9 9 ASP C C 339 177.491 177.491 177.731 -0.240 17742 4182 1 7 . 1 1 9 9 ASP CA C 339 56.197 56.197 57.288 -1.091 17742 4183 1 7 . 1 1 9 9 ASP CB C 339 41.702 41.702 40.572 1.130 17742 4184 1 7 . 1 1 10 10 TYR N N 340 120.786 120.786 121.777 -0.991 17742 4185 1 7 . 1 1 10 10 TYR HA H 340 3.851 3.851 4.088 -0.237 17742 4186 1 7 . 1 1 10 10 TYR C C 340 177.016 177.016 177.744 -0.728 17742 4187 1 7 . 1 1 10 10 TYR CA C 340 61.921 61.921 60.788 1.133 17742 4188 1 7 . 1 1 10 10 TYR CB C 340 39.202 39.202 38.377 0.825 17742 4189 1 7 . 1 1 10 10 TYR H H 340 7.929 7.929 7.485 0.444 17742 4190 1 7 . 1 1 11 11 VAL N N 341 114.828 114.828 119.123 -4.295 17742 4191 1 7 . 1 1 11 11 VAL HA H 341 2.982 2.982 3.595 -0.613 17742 4192 1 7 . 1 1 11 11 VAL C C 341 176.795 176.795 177.358 -0.563 17742 4193 1 7 . 1 1 11 11 VAL CA C 341 66.855 66.855 66.064 0.791 17742 4194 1 7 . 1 1 11 11 VAL CB C 341 31.152 31.152 31.497 -0.345 17742 4195 1 7 . 1 1 11 11 VAL H H 341 8.291 8.291 8.242 0.049 17742 4196 1 7 . 1 1 12 12 TYR N N 342 119.177 119.177 120.097 -0.920 17742 4197 1 7 . 1 1 12 12 TYR HA H 342 3.617 3.617 3.885 -0.268 17742 4198 1 7 . 1 1 12 12 TYR C C 342 178.765 178.765 176.852 1.913 17742 4199 1 7 . 1 1 12 12 TYR CA C 342 62.960 62.960 60.985 1.975 17742 4200 1 7 . 1 1 12 12 TYR CB C 342 38.232 38.232 38.279 -0.047 17742 4201 1 7 . 1 1 12 12 TYR H H 342 7.712 7.712 7.898 -0.186 17742 4202 1 7 . 1 1 13 13 GLN N N 343 118.873 118.873 118.127 0.746 17742 4203 1 7 . 1 1 13 13 GLN HA H 343 3.833 3.833 4.005 -0.172 17742 4204 1 7 . 1 1 13 13 GLN C C 343 179.917 179.917 178.710 1.207 17742 4205 1 7 . 1 1 13 13 GLN CA C 343 58.821 58.821 58.180 0.641 17742 4206 1 7 . 1 1 13 13 GLN CB C 343 27.649 27.649 28.634 -0.985 17742 4207 1 7 . 1 1 13 13 GLN H H 343 8.076 8.076 7.726 0.350 17742 4208 1 7 . 1 1 14 14 LEU N N 344 121.381 121.381 120.565 0.816 17742 4209 1 7 . 1 1 14 14 LEU HA H 344 3.611 3.611 3.761 -0.150 17742 4210 1 7 . 1 1 14 14 LEU C C 344 179.861 179.861 179.183 0.678 17742 4211 1 7 . 1 1 14 14 LEU CA C 344 58.121 58.121 57.221 0.900 17742 4212 1 7 . 1 1 14 14 LEU CB C 344 41.382 41.382 41.535 -0.153 17742 4213 1 7 . 1 1 14 14 LEU H H 344 7.772 7.772 7.561 0.211 17742 4214 1 7 . 1 1 15 15 LEU N N 345 116.801 116.801 115.823 0.978 17742 4215 1 7 . 1 1 15 15 LEU HA H 345 3.513 3.513 3.986 -0.473 17742 4216 1 7 . 1 1 15 15 LEU C C 345 178.221 178.221 177.831 0.390 17742 4217 1 7 . 1 1 15 15 LEU CA C 345 56.568 56.568 56.777 -0.209 17742 4218 1 7 . 1 1 15 15 LEU CB C 345 41.431 41.431 41.258 0.173 17742 4219 1 7 . 1 1 15 15 LEU H H 345 7.546 7.546 7.451 0.095 17742 4220 1 7 . 1 1 16 16 SER N N 346 112.511 112.511 111.597 0.914 17742 4221 1 7 . 1 1 16 16 SER HA H 346 4.542 4.542 4.513 0.029 17742 4222 1 7 . 1 1 16 16 SER C C 346 172.510 172.510 174.075 -1.565 17742 4223 1 7 . 1 1 16 16 SER CA C 346 58.891 58.891 58.515 0.376 17742 4224 1 7 . 1 1 16 16 SER CB C 346 63.993 63.993 63.760 0.233 17742 4225 1 7 . 1 1 16 16 SER H H 346 7.277 7.277 7.408 -0.131 17742 4226 1 7 . 1 1 17 17 ASP N N 347 122.234 122.234 120.875 1.359 17742 4227 1 7 . 1 1 17 17 ASP HA H 347 4.969 4.969 4.899 0.070 17742 4228 1 7 . 1 1 17 17 ASP C C 347 175.703 175.703 176.273 -0.570 17742 4229 1 7 . 1 1 17 17 ASP CA C 347 52.761 52.761 53.454 -0.693 17742 4230 1 7 . 1 1 17 17 ASP CB C 347 43.427 43.427 44.028 -0.601 17742 4231 1 7 . 1 1 17 17 ASP H H 347 7.353 7.353 7.567 -0.214 17742 4232 1 7 . 1 1 18 18 SER N N 348 120.139 120.139 119.493 0.646 17742 4233 1 7 . 1 1 18 18 SER HA H 348 4.371 4.371 4.316 0.055 17742 4234 1 7 . 1 1 18 18 SER C C 348 176.259 176.259 176.179 0.080 17742 4235 1 7 . 1 1 18 18 SER CA C 348 61.131 61.131 60.197 0.934 17742 4236 1 7 . 1 1 18 18 SER CB C 348 63.177 63.177 63.076 0.101 17742 4237 1 7 . 1 1 18 18 SER H H 348 8.691 8.691 8.819 -0.128 17742 4238 1 7 . 1 1 19 19 ARG N N 349 122.716 122.716 122.908 -0.192 17742 4239 1 7 . 1 1 19 19 ARG HA H 349 4.114 4.114 3.855 0.259 17742 4240 1 7 . 1 1 19 19 ARG C C 349 178.154 178.154 178.204 -0.050 17742 4241 1 7 . 1 1 19 19 ARG CA C 349 58.531 58.531 58.686 -0.155 17742 4242 1 7 . 1 1 19 19 ARG CB C 349 29.794 29.794 29.602 0.193 17742 4243 1 7 . 1 1 19 19 ARG H H 349 8.586 8.586 7.670 0.916 17742 4244 1 7 . 1 1 20 20 TYR N N 350 116.201 116.201 116.605 -0.404 17742 4245 1 7 . 1 1 20 20 TYR HA H 350 4.883 4.883 4.832 0.051 17742 4246 1 7 . 1 1 20 20 TYR C C 350 177.029 177.029 176.123 0.906 17742 4247 1 7 . 1 1 20 20 TYR CA C 350 58.741 58.741 56.164 2.577 17742 4248 1 7 . 1 1 20 20 TYR CB C 350 37.642 37.642 36.440 1.202 17742 4249 1 7 . 1 1 20 20 TYR H H 350 8.291 8.291 7.405 0.886 17742 4250 1 7 . 1 1 21 21 GLU N N 351 120.803 120.803 120.220 0.583 17742 4251 1 7 . 1 1 21 21 GLU HA H 351 4.466 4.466 4.315 0.151 17742 4252 1 7 . 1 1 21 21 GLU C C 351 176.324 176.324 177.052 -0.728 17742 4253 1 7 . 1 1 21 21 GLU CA C 351 59.132 59.132 58.569 0.563 17742 4254 1 7 . 1 1 21 21 GLU CB C 351 29.864 29.864 28.896 0.968 17742 4255 1 7 . 1 1 21 21 GLU H H 351 7.513 7.513 7.785 -0.272 17742 4256 1 7 . 1 1 22 22 ASN N N 352 114.531 114.531 115.256 -0.725 17742 4257 1 7 . 1 1 22 22 ASN HA H 352 4.492 4.492 4.619 -0.127 17742 4258 1 7 . 1 1 22 22 ASN C C 352 174.497 174.497 175.388 -0.891 17742 4259 1 7 . 1 1 22 22 ASN CA C 352 54.122 54.122 53.747 0.375 17742 4260 1 7 . 1 1 22 22 ASN CB C 352 36.935 36.935 38.946 -2.011 17742 4261 1 7 . 1 1 22 22 ASN H H 352 8.649 8.649 8.165 0.484 17742 4262 1 7 . 1 1 23 23 PHE N N 353 115.501 115.501 116.471 -0.970 17742 4263 1 7 . 1 1 23 23 PHE HA H 353 4.751 4.751 4.584 0.167 17742 4264 1 7 . 1 1 23 23 PHE C C 353 176.442 176.442 174.972 1.470 17742 4265 1 7 . 1 1 23 23 PHE CB C 353 41.502 41.502 41.945 -0.443 17742 4266 1 7 . 1 1 23 23 PHE H H 353 8.555 8.555 7.964 0.591 17742 4267 1 7 . 1 1 24 24 ILE N N 354 120.734 120.734 118.032 2.702 17742 4268 1 7 . 1 1 24 24 ILE HA H 354 5.059 5.059 5.001 0.058 17742 4269 1 7 . 1 1 24 24 ILE C C 354 179.332 179.332 173.126 6.206 17742 4270 1 7 . 1 1 24 24 ILE CA C 354 59.831 59.831 60.432 -0.601 17742 4271 1 7 . 1 1 24 24 ILE CB C 354 40.623 40.623 41.910 -1.287 17742 4272 1 7 . 1 1 24 24 ILE H H 354 8.428 8.428 8.805 -0.377 17742 4273 1 7 . 1 1 25 25 ARG N N 355 121.187 121.187 123.597 -2.410 17742 4274 1 7 . 1 1 25 25 ARG HA H 355 4.904 4.904 4.849 0.055 17742 4275 1 7 . 1 1 25 25 ARG C C 355 175.152 175.152 174.142 1.010 17742 4276 1 7 . 1 1 25 25 ARG CA C 355 54.529 54.529 54.397 0.132 17742 4277 1 7 . 1 1 25 25 ARG CB C 355 33.599 33.599 33.588 0.011 17742 4278 1 7 . 1 1 25 25 ARG H H 355 8.671 8.671 8.877 -0.206 17742 4279 1 7 . 1 1 26 26 TRP N N 356 122.024 122.024 122.727 -0.703 17742 4280 1 7 . 1 1 26 26 TRP HA H 356 4.884 4.884 4.746 0.138 17742 4281 1 7 . 1 1 26 26 TRP C C 356 176.642 176.642 176.801 -0.159 17742 4282 1 7 . 1 1 26 26 TRP CA C 356 57.960 57.960 57.888 0.072 17742 4283 1 7 . 1 1 26 26 TRP CB C 356 30.634 30.634 29.721 0.913 17742 4284 1 7 . 1 1 26 26 TRP H H 356 9.159 9.159 8.873 0.286 17742 4285 1 7 . 1 1 27 27 GLU N N 357 125.331 125.331 124.561 0.770 17742 4286 1 7 . 1 1 27 27 GLU HA H 357 4.681 4.681 4.450 0.231 17742 4287 1 7 . 1 1 27 27 GLU C C 357 176.775 176.775 176.232 0.543 17742 4288 1 7 . 1 1 27 27 GLU CA C 357 56.990 56.990 58.043 -1.053 17742 4289 1 7 . 1 1 27 27 GLU CB C 357 31.579 31.579 31.099 0.480 17742 4290 1 7 . 1 1 27 27 GLU H H 357 9.504 9.504 8.694 0.810 17742 4291 1 7 . 1 1 28 28 ASP N N 358 116.213 116.213 119.035 -2.822 17742 4292 1 7 . 1 1 28 28 ASP HA H 358 4.771 4.771 4.883 -0.112 17742 4293 1 7 . 1 1 28 28 ASP C C 358 176.167 176.167 175.423 0.744 17742 4294 1 7 . 1 1 28 28 ASP CA C 358 53.541 53.541 53.764 -0.223 17742 4295 1 7 . 1 1 28 28 ASP CB C 358 41.932 41.932 42.255 -0.323 17742 4296 1 7 . 1 1 28 28 ASP H H 358 7.846 7.846 8.376 -0.530 17742 4297 1 7 . 1 1 29 29 LYS N N 359 127.762 127.762 125.811 1.951 17742 4298 1 7 . 1 1 29 29 LYS HA H 359 3.157 3.157 3.331 -0.174 17742 4299 1 7 . 1 1 29 29 LYS C C 359 178.776 178.776 177.834 0.942 17742 4300 1 7 . 1 1 29 29 LYS CA C 359 60.229 60.229 59.098 1.131 17742 4301 1 7 . 1 1 29 29 LYS CB C 359 32.734 32.734 32.110 0.624 17742 4302 1 7 . 1 1 29 29 LYS H H 359 9.216 9.216 8.472 0.744 17742 4303 1 7 . 1 1 30 30 GLU N N 360 119.601 119.601 118.510 1.091 17742 4304 1 7 . 1 1 30 30 GLU HA H 360 3.925 3.925 4.044 -0.119 17742 4305 1 7 . 1 1 30 30 GLU C C 360 178.684 178.684 178.066 0.618 17742 4306 1 7 . 1 1 30 30 GLU CA C 360 59.570 59.570 58.682 0.888 17742 4307 1 7 . 1 1 30 30 GLU CB C 360 29.177 29.177 29.327 -0.150 17742 4308 1 7 . 1 1 30 30 GLU H H 360 8.340 8.340 8.439 -0.099 17742 4309 1 7 . 1 1 31 31 SER N N 361 113.301 113.301 112.908 0.393 17742 4310 1 7 . 1 1 31 31 SER HA H 361 4.494 4.494 4.401 0.093 17742 4311 1 7 . 1 1 31 31 SER C C 361 172.357 172.357 173.270 -0.913 17742 4312 1 7 . 1 1 31 31 SER CA C 361 58.807 58.807 59.757 -0.950 17742 4313 1 7 . 1 1 31 31 SER CB C 361 63.768 63.768 63.713 0.055 17742 4314 1 7 . 1 1 31 31 SER H H 361 7.463 7.463 8.023 -0.560 17742 4315 1 7 . 1 1 32 32 LYS N N 362 115.170 115.170 114.230 0.940 17742 4316 1 7 . 1 1 32 32 LYS HA H 362 3.910 3.910 4.261 -0.351 17742 4317 1 7 . 1 1 32 32 LYS C C 362 175.500 175.500 175.464 0.036 17742 4318 1 7 . 1 1 32 32 LYS CA C 362 57.630 57.630 57.098 0.532 17742 4319 1 7 . 1 1 32 32 LYS CB C 362 29.801 29.801 30.006 -0.205 17742 4320 1 7 . 1 1 32 32 LYS H H 362 7.752 7.752 7.601 0.151 17742 4321 1 7 . 1 1 33 33 ILE N N 363 118.274 118.274 121.104 -2.830 17742 4322 1 7 . 1 1 33 33 ILE HA H 363 5.375 5.375 5.029 0.346 17742 4323 1 7 . 1 1 33 33 ILE C C 363 177.068 177.068 175.719 1.349 17742 4324 1 7 . 1 1 33 33 ILE CA C 363 60.428 60.428 60.481 -0.053 17742 4325 1 7 . 1 1 33 33 ILE CB C 363 40.206 40.206 37.800 2.406 17742 4326 1 7 . 1 1 33 33 ILE H H 363 8.262 8.262 8.197 0.065 17742 4327 1 7 . 1 1 34 34 PHE N N 364 128.285 128.285 126.628 1.657 17742 4328 1 7 . 1 1 34 34 PHE HA H 364 5.566 5.566 5.232 0.334 17742 4329 1 7 . 1 1 34 34 PHE C C 364 179.560 179.560 172.961 6.599 17742 4330 1 7 . 1 1 34 34 PHE CA C 364 55.080 55.080 55.121 -0.041 17742 4331 1 7 . 1 1 34 34 PHE CB C 364 44.097 44.097 42.621 1.476 17742 4332 1 7 . 1 1 34 34 PHE H H 364 9.936 9.936 9.243 0.693 17742 4333 1 7 . 1 1 35 35 ARG N N 365 120.953 120.953 123.767 -2.814 17742 4334 1 7 . 1 1 35 35 ARG HA H 365 5.484 5.484 4.599 0.885 17742 4335 1 7 . 1 1 35 35 ARG C C 365 176.522 176.522 174.585 1.937 17742 4336 1 7 . 1 1 35 35 ARG CA C 365 53.584 53.584 53.560 0.024 17742 4337 1 7 . 1 1 35 35 ARG CB C 365 36.439 36.439 33.637 2.802 17742 4338 1 7 . 1 1 35 35 ARG H H 365 9.430 9.430 9.116 0.314 17742 4339 1 7 . 1 1 36 36 ILE N N 366 125.455 125.455 128.485 -3.030 17742 4340 1 7 . 1 1 36 36 ILE HA H 366 4.201 4.201 4.024 0.177 17742 4341 1 7 . 1 1 36 36 ILE C C 366 173.923 173.923 175.305 -1.382 17742 4342 1 7 . 1 1 36 36 ILE CA C 366 63.110 63.110 62.180 0.930 17742 4343 1 7 . 1 1 36 36 ILE CB C 366 37.964 37.964 37.369 0.595 17742 4344 1 7 . 1 1 36 36 ILE H H 366 8.639 8.639 8.177 0.462 17742 4345 1 7 . 1 1 37 37 VAL N N 367 129.251 129.251 128.674 0.577 17742 4346 1 7 . 1 1 37 37 VAL HA H 367 3.674 3.674 3.827 -0.153 17742 4347 1 7 . 1 1 37 37 VAL C C 367 175.948 175.948 176.151 -0.203 17742 4348 1 7 . 1 1 37 37 VAL CA C 367 64.171 64.171 64.826 -0.656 17742 4349 1 7 . 1 1 37 37 VAL CB C 367 32.870 32.870 32.114 0.756 17742 4350 1 7 . 1 1 37 37 VAL H H 367 7.839 7.839 8.389 -0.550 17742 4351 1 7 . 1 1 38 38 ASP N N 368 114.991 114.991 118.988 -3.997 17742 4352 1 7 . 1 1 38 38 ASP HA H 368 5.213 5.213 5.012 0.201 17742 4353 1 7 . 1 1 38 38 ASP CA C 368 50.242 50.242 50.855 -0.613 17742 4354 1 7 . 1 1 38 38 ASP CB C 368 42.169 42.169 42.044 0.125 17742 4355 1 7 . 1 1 38 38 ASP H H 368 7.279 7.279 8.023 -0.744 17742 4356 1 7 . 1 1 39 39 PRO HA H 369 3.794 3.794 4.380 -0.586 17742 4357 1 7 . 1 1 39 39 PRO C C 369 178.037 178.037 178.351 -0.314 17742 4358 1 7 . 1 1 39 39 PRO CA C 369 65.619 65.619 65.895 -0.276 17742 4359 1 7 . 1 1 39 39 PRO CB C 369 31.057 31.057 31.819 -0.762 17742 4360 1 7 . 1 1 40 40 ASN N N 370 115.439 115.439 115.472 -0.033 17742 4361 1 7 . 1 1 40 40 ASN HA H 370 4.596 4.596 4.518 0.078 17742 4362 1 7 . 1 1 40 40 ASN C C 370 178.570 178.570 177.411 1.159 17742 4363 1 7 . 1 1 40 40 ASN CA C 370 56.501 56.501 56.133 0.368 17742 4364 1 7 . 1 1 40 40 ASN CB C 370 38.012 38.012 38.138 -0.126 17742 4365 1 7 . 1 1 40 40 ASN H H 370 8.121 8.121 8.573 -0.452 17742 4366 1 7 . 1 1 41 41 GLY N N 371 111.317 111.317 108.764 2.553 17742 4367 1 7 . 1 1 41 41 GLY C C 371 176.090 176.090 176.430 -0.340 17742 4368 1 7 . 1 1 41 41 GLY CA C 371 47.932 47.932 46.955 0.977 17742 4369 1 7 . 1 1 41 41 GLY H H 371 8.622 8.622 8.599 0.023 17742 4370 1 7 . 1 1 42 42 LEU N N 372 122.892 122.892 123.872 -0.980 17742 4371 1 7 . 1 1 42 42 LEU HA H 372 4.031 4.031 4.287 -0.256 17742 4372 1 7 . 1 1 42 42 LEU C C 372 177.766 177.766 178.869 -1.103 17742 4373 1 7 . 1 1 42 42 LEU CA C 372 57.830 57.830 57.816 0.014 17742 4374 1 7 . 1 1 42 42 LEU CB C 372 42.132 42.132 41.346 0.786 17742 4375 1 7 . 1 1 42 42 LEU H H 372 8.881 8.881 8.666 0.215 17742 4376 1 7 . 1 1 43 43 ALA N N 373 120.112 120.112 121.198 -1.086 17742 4377 1 7 . 1 1 43 43 ALA HA H 373 4.458 4.458 4.164 0.294 17742 4378 1 7 . 1 1 43 43 ALA C C 373 179.093 179.093 180.146 -1.053 17742 4379 1 7 . 1 1 43 43 ALA CA C 373 55.451 55.451 55.112 0.339 17742 4380 1 7 . 1 1 43 43 ALA CB C 373 18.324 18.324 18.498 -0.174 17742 4381 1 7 . 1 1 43 43 ALA H H 373 8.072 8.072 8.772 -0.700 17742 4382 1 7 . 1 1 44 44 ARG N N 374 117.916 117.916 119.060 -1.144 17742 4383 1 7 . 1 1 44 44 ARG HA H 374 4.093 4.093 4.096 -0.003 17742 4384 1 7 . 1 1 44 44 ARG C C 374 179.473 179.473 179.011 0.462 17742 4385 1 7 . 1 1 44 44 ARG CA C 374 59.372 59.372 59.640 -0.268 17742 4386 1 7 . 1 1 44 44 ARG CB C 374 30.114 30.114 30.226 -0.112 17742 4387 1 7 . 1 1 44 44 ARG H H 374 7.769 7.769 7.730 0.039 17742 4388 1 7 . 1 1 45 45 LEU N N 375 121.489 121.489 120.686 0.803 17742 4389 1 7 . 1 1 45 45 LEU HA H 375 4.007 4.007 4.042 -0.035 17742 4390 1 7 . 1 1 45 45 LEU C C 375 180.049 180.049 179.172 0.877 17742 4391 1 7 . 1 1 45 45 LEU CA C 375 58.390 58.390 57.992 0.397 17742 4392 1 7 . 1 1 45 45 LEU CB C 375 41.552 41.552 41.813 -0.261 17742 4393 1 7 . 1 1 45 45 LEU H H 375 7.903 7.903 8.391 -0.488 17742 4394 1 7 . 1 1 46 46 TRP N N 376 121.466 121.466 120.874 0.592 17742 4395 1 7 . 1 1 46 46 TRP HA H 376 4.089 4.089 3.805 0.284 17742 4396 1 7 . 1 1 46 46 TRP C C 376 177.939 177.939 178.280 -0.341 17742 4397 1 7 . 1 1 46 46 TRP CA C 376 60.022 60.022 60.541 -0.520 17742 4398 1 7 . 1 1 46 46 TRP CB C 376 28.817 28.817 29.037 -0.220 17742 4399 1 7 . 1 1 46 46 TRP H H 376 8.633 8.633 8.821 -0.188 17742 4400 1 7 . 1 1 47 47 GLY N N 377 105.142 105.142 106.507 -1.365 17742 4401 1 7 . 1 1 47 47 GLY C C 377 176.128 176.128 175.714 0.414 17742 4402 1 7 . 1 1 47 47 GLY CA C 377 48.035 48.035 46.993 1.042 17742 4403 1 7 . 1 1 47 47 GLY H H 377 8.828 8.828 8.435 0.393 17742 4404 1 7 . 1 1 48 48 ASN N N 378 120.327 120.327 120.854 -0.527 17742 4405 1 7 . 1 1 48 48 ASN HA H 378 4.402 4.402 4.372 0.030 17742 4406 1 7 . 1 1 48 48 ASN C C 378 178.625 178.625 177.626 0.999 17742 4407 1 7 . 1 1 48 48 ASN CA C 378 56.231 56.231 55.680 0.551 17742 4408 1 7 . 1 1 48 48 ASN CB C 378 38.132 38.132 38.387 -0.255 17742 4409 1 7 . 1 1 48 48 ASN H H 378 8.212 8.212 8.106 0.106 17742 4410 1 7 . 1 1 49 49 HIS N N 379 121.871 121.871 119.653 2.218 17742 4411 1 7 . 1 1 49 49 HIS HA H 379 4.205 4.205 4.307 -0.102 17742 4412 1 7 . 1 1 49 49 HIS C C 379 176.086 176.086 175.822 0.264 17742 4413 1 7 . 1 1 49 49 HIS CA C 379 59.390 59.390 58.176 1.214 17742 4414 1 7 . 1 1 49 49 HIS CB C 379 29.564 29.564 29.763 -0.199 17742 4415 1 7 . 1 1 49 49 HIS H H 379 8.094 8.094 7.197 0.897 17742 4416 1 7 . 1 1 50 50 LYS N N 380 115.181 115.181 117.120 -1.939 17742 4417 1 7 . 1 1 50 50 LYS HA H 380 3.911 3.911 4.073 -0.162 17742 4418 1 7 . 1 1 50 50 LYS C C 380 175.348 175.348 175.125 0.223 17742 4419 1 7 . 1 1 50 50 LYS CA C 380 53.632 53.632 54.177 -0.545 17742 4420 1 7 . 1 1 50 50 LYS CB C 380 30.742 30.742 30.896 -0.154 17742 4421 1 7 . 1 1 50 50 LYS H H 380 7.482 7.482 7.403 0.079 17742 4422 1 7 . 1 1 51 51 ASN N N 381 116.362 116.362 114.216 2.146 17742 4423 1 7 . 1 1 51 51 ASN HA H 381 4.259 4.259 4.112 0.147 17742 4424 1 7 . 1 1 51 51 ASN C C 381 174.400 174.400 174.507 -0.107 17742 4425 1 7 . 1 1 51 51 ASN CA C 381 54.312 54.312 54.143 0.169 17742 4426 1 7 . 1 1 51 51 ASN CB C 381 37.272 37.272 36.644 0.628 17742 4427 1 7 . 1 1 51 51 ASN H H 381 7.753 7.753 7.678 0.075 17742 4428 1 7 . 1 1 52 52 ARG N N 382 117.723 117.723 119.514 -1.791 17742 4429 1 7 . 1 1 52 52 ARG HA H 382 4.658 4.658 4.574 0.084 17742 4430 1 7 . 1 1 52 52 ARG C C 382 176.209 176.209 176.406 -0.197 17742 4431 1 7 . 1 1 52 52 ARG CA C 382 53.668 53.668 54.746 -1.078 17742 4432 1 7 . 1 1 52 52 ARG CB C 382 32.212 32.212 30.570 1.642 17742 4433 1 7 . 1 1 52 52 ARG H H 382 8.476 8.476 8.175 0.301 17742 4434 1 7 . 1 1 53 53 THR N N 383 114.109 114.109 115.275 -1.166 17742 4435 1 7 . 1 1 53 53 THR HA H 383 4.221 4.221 4.249 -0.028 17742 4436 1 7 . 1 1 53 53 THR C C 383 174.644 174.644 175.173 -0.529 17742 4437 1 7 . 1 1 53 53 THR CA C 383 62.187 62.187 63.336 -1.149 17742 4438 1 7 . 1 1 53 53 THR CB C 383 69.710 69.710 69.393 0.317 17742 4439 1 7 . 1 1 53 53 THR H H 383 8.333 8.333 8.469 -0.136 17742 4440 1 7 . 1 1 54 54 ASN N N 384 118.768 118.768 120.032 -1.264 17742 4441 1 7 . 1 1 54 54 ASN HA H 384 4.609 4.609 4.871 -0.262 17742 4442 1 7 . 1 1 54 54 ASN C C 384 174.975 174.975 173.502 1.473 17742 4443 1 7 . 1 1 54 54 ASN CA C 384 53.193 53.193 52.803 0.390 17742 4444 1 7 . 1 1 54 54 ASN CB C 384 37.632 37.632 39.990 -2.358 17742 4445 1 7 . 1 1 54 54 ASN H H 384 8.521 8.521 8.142 0.379 17742 4446 1 7 . 1 1 55 55 MET N N 385 119.621 119.621 122.908 -3.287 17742 4447 1 7 . 1 1 55 55 MET HA H 385 4.566 4.566 4.742 -0.176 17742 4448 1 7 . 1 1 55 55 MET C C 385 175.078 175.078 174.418 0.660 17742 4449 1 7 . 1 1 55 55 MET CA C 385 55.298 55.298 54.698 0.600 17742 4450 1 7 . 1 1 55 55 MET CB C 385 31.244 31.244 35.498 -4.254 17742 4451 1 7 . 1 1 55 55 MET H H 385 8.162 8.162 8.481 -0.319 17742 4452 1 7 . 1 1 56 56 THR N N 386 113.114 113.114 120.994 -7.880 17742 4453 1 7 . 1 1 56 56 THR HA H 386 4.824 4.824 4.677 0.147 17742 4454 1 7 . 1 1 56 56 THR C C 386 175.549 175.549 175.259 0.290 17742 4455 1 7 . 1 1 56 56 THR CA C 386 59.060 59.060 60.880 -1.820 17742 4456 1 7 . 1 1 56 56 THR CB C 386 72.290 72.290 70.854 1.436 17742 4457 1 7 . 1 1 56 56 THR H H 386 7.031 7.031 8.227 -1.196 17742 4458 1 7 . 1 1 57 57 TYR N N 387 123.401 123.401 125.523 -2.122 17742 4459 1 7 . 1 1 57 57 TYR HA H 387 4.134 4.134 4.123 0.011 17742 4460 1 7 . 1 1 57 57 TYR C C 387 177.304 177.304 177.216 0.088 17742 4461 1 7 . 1 1 57 57 TYR CA C 387 62.300 62.300 63.071 -0.771 17742 4462 1 7 . 1 1 57 57 TYR CB C 387 37.359 37.359 38.701 -1.342 17742 4463 1 7 . 1 1 57 57 TYR H H 387 9.691 9.691 9.103 0.588 17742 4464 1 7 . 1 1 58 58 GLU N N 388 120.999 120.999 116.630 4.369 17742 4465 1 7 . 1 1 58 58 GLU HA H 388 3.823 3.823 4.169 -0.346 17742 4466 1 7 . 1 1 58 58 GLU C C 388 179.213 179.213 178.306 0.907 17742 4467 1 7 . 1 1 58 58 GLU CA C 388 60.477 60.477 59.455 1.022 17742 4468 1 7 . 1 1 58 58 GLU CB C 388 28.895 28.895 28.579 0.316 17742 4469 1 7 . 1 1 58 58 GLU H H 388 8.838 8.838 9.126 -0.288 17742 4470 1 7 . 1 1 59 59 LYS N N 389 118.962 118.962 116.658 2.304 17742 4471 1 7 . 1 1 59 59 LYS HA H 389 3.939 3.939 4.240 -0.301 17742 4472 1 7 . 1 1 59 59 LYS C C 389 178.797 178.797 178.360 0.437 17742 4473 1 7 . 1 1 59 59 LYS CA C 389 60.065 60.065 58.160 1.905 17742 4474 1 7 . 1 1 59 59 LYS CB C 389 33.378 33.378 32.865 0.513 17742 4475 1 7 . 1 1 59 59 LYS H H 389 7.506 7.506 7.793 -0.287 17742 4476 1 7 . 1 1 60 60 MET N N 390 120.087 120.087 119.218 0.869 17742 4477 1 7 . 1 1 60 60 MET HA H 390 3.869 3.869 4.328 -0.459 17742 4478 1 7 . 1 1 60 60 MET C C 390 178.146 178.146 177.457 0.689 17742 4479 1 7 . 1 1 60 60 MET CA C 390 59.776 59.776 58.238 1.538 17742 4480 1 7 . 1 1 60 60 MET CB C 390 33.462 33.462 33.083 0.379 17742 4481 1 7 . 1 1 60 60 MET H H 390 8.051 8.051 7.808 0.243 17742 4482 1 7 . 1 1 61 61 SER N N 391 114.537 114.537 115.146 -0.609 17742 4483 1 7 . 1 1 61 61 SER HA H 391 3.786 3.786 3.811 -0.025 17742 4484 1 7 . 1 1 61 61 SER C C 391 176.380 176.380 176.010 0.370 17742 4485 1 7 . 1 1 61 61 SER CA C 391 61.600 61.600 60.645 0.955 17742 4486 1 7 . 1 1 61 61 SER CB C 391 62.251 62.251 62.910 -0.659 17742 4487 1 7 . 1 1 61 61 SER H H 391 8.853 8.853 8.612 0.241 17742 4488 1 7 . 1 1 62 62 ARG N N 392 122.214 122.214 121.545 0.669 17742 4489 1 7 . 1 1 62 62 ARG HA H 392 3.928 3.928 4.031 -0.103 17742 4490 1 7 . 1 1 62 62 ARG C C 392 178.732 178.732 178.207 0.525 17742 4491 1 7 . 1 1 62 62 ARG CA C 392 59.490 59.490 58.553 0.937 17742 4492 1 7 . 1 1 62 62 ARG CB C 392 30.207 30.207 29.358 0.849 17742 4493 1 7 . 1 1 62 62 ARG H H 392 7.471 7.471 7.697 -0.226 17742 4494 1 7 . 1 1 63 63 ALA N N 393 121.091 121.091 121.187 -0.096 17742 4495 1 7 . 1 1 63 63 ALA HA H 393 4.162 4.162 4.202 -0.040 17742 4496 1 7 . 1 1 63 63 ALA C C 393 179.699 179.699 179.442 0.257 17742 4497 1 7 . 1 1 63 63 ALA CA C 393 54.722 54.722 54.399 0.323 17742 4498 1 7 . 1 1 63 63 ALA CB C 393 18.154 18.154 18.277 -0.123 17742 4499 1 7 . 1 1 63 63 ALA H H 393 7.376 7.376 7.421 -0.045 17742 4500 1 7 . 1 1 64 64 LEU N N 394 117.568 117.568 118.615 -1.047 17742 4501 1 7 . 1 1 64 64 LEU HA H 394 3.777 3.777 2.989 0.788 17742 4502 1 7 . 1 1 64 64 LEU C C 394 178.085 178.085 178.379 -0.294 17742 4503 1 7 . 1 1 64 64 LEU CA C 394 58.075 58.075 56.664 1.411 17742 4504 1 7 . 1 1 64 64 LEU CB C 394 41.052 41.052 41.060 -0.008 17742 4505 1 7 . 1 1 64 64 LEU H H 394 7.853 7.853 6.992 0.861 17742 4506 1 7 . 1 1 65 65 ARG N N 395 116.111 116.111 118.218 -2.107 17742 4507 1 7 . 1 1 65 65 ARG HA H 395 3.529 3.529 3.996 -0.467 17742 4508 1 7 . 1 1 65 65 ARG C C 395 179.519 179.519 178.800 0.719 17742 4509 1 7 . 1 1 65 65 ARG CA C 395 59.133 59.133 58.795 0.337 17742 4510 1 7 . 1 1 65 65 ARG CB C 395 30.004 30.004 29.364 0.640 17742 4511 1 7 . 1 1 65 65 ARG H H 395 7.521 7.521 8.019 -0.498 17742 4512 1 7 . 1 1 66 66 HIS N N 396 118.081 118.081 117.754 0.327 17742 4513 1 7 . 1 1 66 66 HIS HA H 396 4.436 4.436 4.485 -0.049 17742 4514 1 7 . 1 1 66 66 HIS C C 396 177.826 177.826 177.710 0.116 17742 4515 1 7 . 1 1 66 66 HIS CA C 396 59.063 59.063 59.899 -0.836 17742 4516 1 7 . 1 1 66 66 HIS CB C 396 30.154 30.154 30.115 0.039 17742 4517 1 7 . 1 1 66 66 HIS H H 396 7.241 7.241 7.586 -0.345 17742 4518 1 7 . 1 1 67 67 TYR N N 397 116.301 116.301 119.431 -3.130 17742 4519 1 7 . 1 1 67 67 TYR HA H 397 4.128 4.128 4.254 -0.126 17742 4520 1 7 . 1 1 67 67 TYR C C 397 179.075 179.075 178.092 0.983 17742 4521 1 7 . 1 1 67 67 TYR CA C 397 61.525 61.525 59.379 2.146 17742 4522 1 7 . 1 1 67 67 TYR CB C 397 37.522 37.522 36.600 0.922 17742 4523 1 7 . 1 1 67 67 TYR H H 397 7.532 7.532 7.498 0.034 17742 4524 1 7 . 1 1 68 68 TYR N N 398 121.389 121.389 117.788 3.601 17742 4525 1 7 . 1 1 68 68 TYR HA H 398 5.474 5.474 4.784 0.690 17742 4526 1 7 . 1 1 68 68 TYR C C 398 172.285 172.285 178.235 -5.950 17742 4527 1 7 . 1 1 68 68 TYR CA C 398 57.651 57.651 59.531 -1.880 17742 4528 1 7 . 1 1 68 68 TYR CB C 398 37.055 37.055 37.592 -0.537 17742 4529 1 7 . 1 1 68 68 TYR H H 398 8.061 8.061 7.592 0.469 17742 4530 1 7 . 1 1 69 69 LYS N N 399 121.098 121.098 118.070 3.028 17742 4531 1 7 . 1 1 69 69 LYS HA H 399 4.125 4.125 4.255 -0.130 17742 4532 1 7 . 1 1 69 69 LYS C C 399 178.122 178.122 178.039 0.083 17742 4533 1 7 . 1 1 69 69 LYS CA C 399 58.801 58.801 57.208 1.593 17742 4534 1 7 . 1 1 69 69 LYS CB C 399 32.242 32.242 32.235 0.007 17742 4535 1 7 . 1 1 69 69 LYS H H 399 7.799 7.799 7.730 0.069 17742 4536 1 7 . 1 1 70 70 LEU N N 400 116.117 116.117 118.606 -2.489 17742 4537 1 7 . 1 1 70 70 LEU HA H 400 4.312 4.312 4.377 -0.065 17742 4538 1 7 . 1 1 70 70 LEU C C 400 175.903 175.903 176.156 -0.253 17742 4539 1 7 . 1 1 70 70 LEU CA C 400 54.642 54.642 54.626 0.016 17742 4540 1 7 . 1 1 70 70 LEU CB C 400 42.796 42.796 40.957 1.839 17742 4541 1 7 . 1 1 70 70 LEU H H 400 7.257 7.257 8.105 -0.848 17742 4542 1 7 . 1 1 71 71 ASN N N 401 115.181 115.181 112.733 2.448 17742 4543 1 7 . 1 1 71 71 ASN HA H 401 4.368 4.368 4.363 0.005 17742 4544 1 7 . 1 1 71 71 ASN C C 401 173.597 173.597 175.774 -2.177 17742 4545 1 7 . 1 1 71 71 ASN CA C 401 54.622 54.622 54.303 0.319 17742 4546 1 7 . 1 1 71 71 ASN CB C 401 37.252 37.252 36.191 1.060 17742 4547 1 7 . 1 1 71 71 ASN H H 401 8.061 8.061 7.682 0.379 17742 4548 1 7 . 1 1 72 72 ILE N N 402 114.031 114.031 117.210 -3.179 17742 4549 1 7 . 1 1 72 72 ILE HA H 402 4.128 4.128 3.940 0.188 17742 4550 1 7 . 1 1 72 72 ILE C C 402 176.467 176.467 175.548 0.919 17742 4551 1 7 . 1 1 72 72 ILE CA C 402 63.720 63.720 64.328 -0.608 17742 4552 1 7 . 1 1 72 72 ILE CB C 402 40.491 40.491 39.075 1.416 17742 4553 1 7 . 1 1 72 72 ILE H H 402 8.104 8.104 8.125 -0.021 17742 4554 1 7 . 1 1 73 73 ILE N N 403 116.973 116.973 117.232 -0.259 17742 4555 1 7 . 1 1 73 73 ILE HA H 403 5.014 5.014 5.240 -0.227 17742 4556 1 7 . 1 1 73 73 ILE C C 403 174.039 174.039 174.101 -0.062 17742 4557 1 7 . 1 1 73 73 ILE CA C 403 59.357 59.357 59.451 -0.094 17742 4558 1 7 . 1 1 73 73 ILE CB C 403 43.362 43.362 41.403 1.959 17742 4559 1 7 . 1 1 73 73 ILE H H 403 7.099 7.099 7.583 -0.484 17742 4560 1 7 . 1 1 74 74 ARG N N 404 123.639 123.639 125.741 -2.102 17742 4561 1 7 . 1 1 74 74 ARG HA H 404 4.771 4.771 4.874 -0.103 17742 4562 1 7 . 1 1 74 74 ARG C C 404 174.917 174.917 174.467 0.450 17742 4563 1 7 . 1 1 74 74 ARG CA C 404 54.261 54.261 54.103 0.158 17742 4564 1 7 . 1 1 74 74 ARG CB C 404 34.689 34.689 33.256 1.433 17742 4565 1 7 . 1 1 74 74 ARG H H 404 8.983 8.983 8.676 0.307 17742 4566 1 7 . 1 1 75 75 LYS N N 405 125.665 125.665 122.159 3.506 17742 4567 1 7 . 1 1 75 75 LYS HA H 405 4.071 4.071 4.587 -0.516 17742 4568 1 7 . 1 1 75 75 LYS C C 405 176.525 176.525 176.355 0.170 17742 4569 1 7 . 1 1 75 75 LYS CA C 405 56.470 56.470 56.337 0.133 17742 4570 1 7 . 1 1 75 75 LYS CB C 405 32.649 32.649 32.945 -0.296 17742 4571 1 7 . 1 1 75 75 LYS H H 405 8.263 8.263 8.433 -0.170 17742 4572 1 7 . 1 1 76 76 GLU N N 406 128.072 128.072 124.716 3.356 17742 4573 1 7 . 1 1 76 76 GLU HA H 406 4.432 4.432 4.427 0.005 17742 4574 1 7 . 1 1 76 76 GLU CA C 406 53.747 53.747 54.549 -0.802 17742 4575 1 7 . 1 1 76 76 GLU CB C 406 29.914 29.914 29.477 0.437 17742 4576 1 7 . 1 1 76 76 GLU H H 406 8.024 8.024 8.885 -0.861 17742 4577 1 7 . 1 1 77 77 PRO HA H 407 4.282 4.282 4.305 -0.023 17742 4578 1 7 . 1 1 77 77 PRO C C 407 177.719 177.719 177.217 0.502 17742 4579 1 7 . 1 1 77 77 PRO CA C 407 63.407 63.407 64.212 -0.805 17742 4580 1 7 . 1 1 77 77 PRO CB C 407 32.184 32.184 31.338 0.846 17742 4581 1 7 . 1 1 78 78 GLY N N 408 109.716 109.716 113.290 -3.574 17742 4582 1 7 . 1 1 78 78 GLY C C 408 174.053 174.053 174.529 -0.476 17742 4583 1 7 . 1 1 78 78 GLY CA C 408 45.519 45.519 45.390 0.129 17742 4584 1 7 . 1 1 78 78 GLY H H 408 8.531 8.531 8.540 -0.009 17742 4585 1 7 . 1 1 79 79 GLN N N 409 116.964 116.964 118.393 -1.429 17742 4586 1 7 . 1 1 79 79 GLN HA H 409 4.488 4.488 4.623 -0.135 17742 4587 1 7 . 1 1 79 79 GLN C C 409 175.390 175.390 175.443 -0.053 17742 4588 1 7 . 1 1 79 79 GLN CA C 409 54.359 54.359 54.253 0.106 17742 4589 1 7 . 1 1 79 79 GLN CB C 409 31.202 31.202 30.852 0.350 17742 4590 1 7 . 1 1 79 79 GLN H H 409 7.559 7.559 7.760 -0.201 17742 4591 1 7 . 1 1 80 80 ARG N N 410 120.457 120.457 120.261 0.196 17742 4592 1 7 . 1 1 80 80 ARG HA H 410 4.262 4.262 4.292 -0.030 17742 4593 1 7 . 1 1 80 80 ARG C C 410 176.270 176.270 177.011 -0.741 17742 4594 1 7 . 1 1 80 80 ARG CA C 410 56.821 56.821 56.727 0.094 17742 4595 1 7 . 1 1 80 80 ARG CB C 410 31.502 31.502 29.460 2.042 17742 4596 1 7 . 1 1 80 80 ARG H H 410 8.251 8.251 8.476 -0.225 17742 4597 1 7 . 1 1 81 81 LEU N N 411 119.348 119.348 120.828 -1.480 17742 4598 1 7 . 1 1 81 81 LEU HA H 411 4.023 4.023 4.478 -0.455 17742 4599 1 7 . 1 1 81 81 LEU C C 411 173.279 173.279 175.493 -2.214 17742 4600 1 7 . 1 1 81 81 LEU CA C 411 55.030 55.030 53.652 1.378 17742 4601 1 7 . 1 1 81 81 LEU CB C 411 40.335 40.335 41.040 -0.705 17742 4602 1 7 . 1 1 81 81 LEU H H 411 8.435 8.435 8.175 0.260 17742 4603 1 7 . 1 1 82 82 LEU N N 412 119.070 119.070 121.510 -2.440 17742 4604 1 7 . 1 1 82 82 LEU HA H 412 5.013 5.013 4.314 0.699 17742 4605 1 7 . 1 1 82 82 LEU C C 412 175.361 175.361 175.631 -0.270 17742 4606 1 7 . 1 1 82 82 LEU CA C 412 53.212 53.212 53.980 -0.768 17742 4607 1 7 . 1 1 82 82 LEU CB C 412 45.471 45.471 41.415 4.056 17742 4608 1 7 . 1 1 82 82 LEU H H 412 6.751 6.751 7.387 -0.636 17742 4609 1 7 . 1 1 83 83 PHE N N 413 122.184 122.184 124.651 -2.467 17742 4610 1 7 . 1 1 83 83 PHE HA H 413 4.865 4.865 5.499 -0.634 17742 4611 1 7 . 1 1 83 83 PHE C C 413 172.849 172.849 174.645 -1.796 17742 4612 1 7 . 1 1 83 83 PHE CA C 413 55.921 55.921 54.322 1.599 17742 4613 1 7 . 1 1 83 83 PHE CB C 413 44.569 44.569 42.684 1.885 17742 4614 1 7 . 1 1 83 83 PHE H H 413 8.661 8.661 8.963 -0.302 17742 4615 1 7 . 1 1 84 84 ARG N N 414 119.461 119.461 119.933 -0.472 17742 4616 1 7 . 1 1 84 84 ARG HA H 414 5.581 5.581 5.318 0.263 17742 4617 1 7 . 1 1 84 84 ARG C C 414 177.641 177.641 174.995 2.646 17742 4618 1 7 . 1 1 84 84 ARG CA C 414 54.239 54.239 55.158 -0.920 17742 4619 1 7 . 1 1 84 84 ARG CB C 414 36.198 36.198 34.026 2.172 17742 4620 1 7 . 1 1 84 84 ARG H H 414 9.098 9.098 9.047 0.051 17742 4621 1 7 . 1 1 85 85 PHE N N 415 124.274 124.274 128.254 -3.980 17742 4622 1 7 . 1 1 85 85 PHE HA H 415 5.027 5.027 5.177 -0.150 17742 4623 1 7 . 1 1 85 85 PHE C C 415 176.117 176.117 176.761 -0.644 17742 4624 1 7 . 1 1 85 85 PHE CA C 415 59.657 59.657 58.183 1.474 17742 4625 1 7 . 1 1 85 85 PHE CB C 415 40.819 40.819 38.436 2.383 17742 4626 1 7 . 1 1 85 85 PHE H H 415 8.928 8.928 9.778 -0.850 17742 4627 1 7 . 1 1 86 86 MET N N 416 121.081 121.081 124.391 -3.310 17742 4628 1 7 . 1 1 86 86 MET HA H 416 4.656 4.656 4.337 0.319 17742 4629 1 7 . 1 1 86 86 MET C C 416 176.444 176.444 176.575 -0.131 17742 4630 1 7 . 1 1 86 86 MET CA C 416 54.681 54.681 57.490 -2.809 17742 4631 1 7 . 1 1 86 86 MET CB C 416 31.698 31.698 32.329 -0.631 17742 4632 1 7 . 1 1 86 86 MET H H 416 8.676 8.676 8.761 -0.085 17742 4633 1 7 . 1 1 87 87 LYS N N 417 117.772 117.772 114.513 3.259 17742 4634 1 7 . 1 1 87 87 LYS HA H 417 4.899 4.899 4.792 0.107 17742 4635 1 7 . 1 1 87 87 LYS C C 417 175.621 175.621 175.727 -0.106 17742 4636 1 7 . 1 1 87 87 LYS CA C 417 54.522 54.522 54.505 0.017 17742 4637 1 7 . 1 1 87 87 LYS CB C 417 37.905 37.905 35.878 2.027 17742 4638 1 7 . 1 1 87 87 LYS H H 417 7.624 7.624 7.423 0.201 17742 4639 1 7 . 1 1 88 88 THR N N 418 112.426 112.426 111.805 0.621 17742 4640 1 7 . 1 1 88 88 THR HA H 418 4.372 4.372 4.337 0.035 17742 4641 1 7 . 1 1 88 88 THR CA C 418 59.786 59.786 58.630 1.156 17742 4642 1 7 . 1 1 88 88 THR CB C 418 68.040 68.040 67.665 0.375 17742 4643 1 7 . 1 1 88 88 THR H H 418 8.787 8.787 9.317 -0.530 17742 4644 1 7 . 1 1 89 89 PRO HA H 419 3.654 3.654 2.886 0.768 17742 4645 1 7 . 1 1 89 89 PRO C C 419 177.412 177.412 178.563 -1.151 17742 4646 1 7 . 1 1 89 89 PRO CA C 419 65.712 65.712 66.622 -0.910 17742 4647 1 7 . 1 1 89 89 PRO CB C 419 31.762 31.762 31.740 0.022 17742 4648 1 7 . 1 1 90 90 ASP N N 420 114.221 114.221 114.101 0.120 17742 4649 1 7 . 1 1 90 90 ASP HA H 420 4.224 4.224 4.286 -0.062 17742 4650 1 7 . 1 1 90 90 ASP C C 420 178.341 178.341 177.749 0.592 17742 4651 1 7 . 1 1 90 90 ASP CA C 420 56.657 56.657 57.094 -0.437 17742 4652 1 7 . 1 1 90 90 ASP CB C 420 40.642 40.642 40.643 -0.001 17742 4653 1 7 . 1 1 90 90 ASP H H 420 7.958 7.958 8.480 -0.522 17742 4654 1 7 . 1 1 91 91 GLU N N 421 119.443 119.443 117.910 1.533 17742 4655 1 7 . 1 1 91 91 GLU HA H 421 4.006 4.006 4.035 -0.029 17742 4656 1 7 . 1 1 91 91 GLU C C 421 179.238 179.238 178.943 0.295 17742 4657 1 7 . 1 1 91 91 GLU CA C 421 58.458 58.458 58.335 0.123 17742 4658 1 7 . 1 1 91 91 GLU CB C 421 30.774 30.774 29.689 1.085 17742 4659 1 7 . 1 1 91 91 GLU H H 421 7.628 7.628 7.487 0.141 17742 4660 1 7 . 1 1 92 92 ILE N N 422 120.617 120.617 121.020 -0.403 17742 4661 1 7 . 1 1 92 92 ILE HA H 422 3.589 3.589 3.561 0.028 17742 4662 1 7 . 1 1 92 92 ILE C C 422 178.124 178.124 177.156 0.968 17742 4663 1 7 . 1 1 92 92 ILE CA C 422 63.878 63.878 64.707 -0.829 17742 4664 1 7 . 1 1 92 92 ILE CB C 422 38.142 38.142 37.788 0.354 17742 4665 1 7 . 1 1 92 92 ILE H H 422 7.896 7.896 7.617 0.279 17742 4666 1 7 . 1 1 93 93 MET N N 423 117.857 117.857 116.394 1.463 17742 4667 1 7 . 1 1 93 93 MET HA H 423 4.365 4.365 4.366 -0.001 17742 4668 1 7 . 1 1 93 93 MET C C 423 177.009 177.009 176.825 0.184 17742 4669 1 7 . 1 1 93 93 MET CA C 423 56.527 56.527 56.977 -0.451 17742 4670 1 7 . 1 1 93 93 MET CB C 423 32.617 32.617 31.982 0.635 17742 4671 1 7 . 1 1 93 93 MET H H 423 8.161 8.161 8.115 0.046 17742 4672 1 7 . 1 1 94 94 SER N N 424 114.591 114.591 114.148 0.443 17742 4673 1 7 . 1 1 94 94 SER HA H 424 4.406 4.406 4.377 0.029 17742 4674 1 7 . 1 1 94 94 SER C C 424 175.262 175.262 175.060 0.202 17742 4675 1 7 . 1 1 94 94 SER CA C 424 59.482 59.482 60.060 -0.578 17742 4676 1 7 . 1 1 94 94 SER CB C 424 63.466 63.466 63.625 -0.159 17742 4677 1 7 . 1 1 94 94 SER H H 424 7.744 7.744 7.823 -0.079 17742 4678 1 7 . 1 1 95 95 GLY N N 425 109.590 109.590 108.515 1.075 17742 4679 1 7 . 1 1 95 95 GLY C C 425 174.197 174.197 175.393 -1.196 17742 4680 1 7 . 1 1 95 95 GLY CA C 425 45.122 45.122 46.298 -1.176 17742 4681 1 7 . 1 1 95 95 GLY H H 425 7.970 7.970 7.852 0.118 17742 4682 1 7 . 1 1 96 96 ARG N N 426 119.792 119.792 123.020 -3.228 17742 4683 1 7 . 1 1 96 96 ARG HA H 426 4.567 4.567 4.408 0.159 17742 4684 1 7 . 1 1 96 96 ARG C C 426 177.866 177.866 177.791 0.075 17742 4685 1 7 . 1 1 96 96 ARG CA C 426 55.757 55.757 55.598 0.159 17742 4686 1 7 . 1 1 96 96 ARG CB C 426 30.059 30.059 29.122 0.937 17742 4687 1 7 . 1 1 96 96 ARG H H 426 8.144 8.144 8.249 -0.105 17742 4688 1 7 . 1 1 97 97 THR N N 427 114.770 114.770 111.576 3.194 17742 4689 1 7 . 1 1 97 97 THR HA H 427 4.221 4.221 4.295 -0.074 17742 4690 1 7 . 1 1 97 97 THR C C 427 175.449 175.449 175.725 -0.276 17742 4691 1 7 . 1 1 97 97 THR CA C 427 63.411 63.411 65.371 -1.960 17742 4692 1 7 . 1 1 97 97 THR CB C 427 69.080 69.080 68.579 0.502 17742 4693 1 7 . 1 1 97 97 THR H H 427 8.427 8.427 8.033 0.394 17742 4694 1 7 . 1 1 98 98 ASP N N 428 122.017 122.017 121.710 0.307 17742 4695 1 7 . 1 1 98 98 ASP HA H 428 4.404 4.404 4.304 0.100 17742 4696 1 7 . 1 1 98 98 ASP C C 428 178.042 178.042 178.096 -0.054 17742 4697 1 7 . 1 1 98 98 ASP CA C 428 56.438 56.438 57.583 -1.145 17742 4698 1 7 . 1 1 98 98 ASP CB C 428 40.012 40.012 40.161 -0.149 17742 4699 1 7 . 1 1 98 98 ASP H H 428 8.659 8.659 8.075 0.584 17742 4700 1 7 . 1 1 99 99 ARG N N 429 120.083 120.083 119.839 0.244 17742 4701 1 7 . 1 1 99 99 ARG HA H 429 4.190 4.190 4.148 0.042 17742 4702 1 7 . 1 1 99 99 ARG C C 429 178.236 178.236 178.434 -0.198 17742 4703 1 7 . 1 1 99 99 ARG CA C 429 58.307 58.307 58.757 -0.450 17742 4704 1 7 . 1 1 99 99 ARG CB C 429 30.073 30.073 30.120 -0.047 17742 4705 1 7 . 1 1 99 99 ARG H H 429 8.011 8.011 7.787 0.224 17742 4706 1 7 . 1 1 100 100 LEU N N 430 119.784 119.784 120.642 -0.858 17742 4707 1 7 . 1 1 100 100 LEU HA H 430 4.048 4.048 4.061 -0.013 17742 4708 1 7 . 1 1 100 100 LEU C C 430 178.209 178.209 178.727 -0.518 17742 4709 1 7 . 1 1 100 100 LEU CA C 430 57.535 57.535 57.862 -0.327 17742 4710 1 7 . 1 1 100 100 LEU CB C 430 42.218 42.218 41.828 0.390 17742 4711 1 7 . 1 1 100 100 LEU H H 430 7.667 7.667 7.579 0.088 17742 4712 1 7 . 1 1 101 101 GLU N N 431 119.434 119.434 118.201 1.233 17742 4713 1 7 . 1 1 101 101 GLU HA H 431 3.962 3.962 4.017 -0.055 17742 4714 1 7 . 1 1 101 101 GLU C C 431 178.773 178.773 179.298 -0.525 17742 4715 1 7 . 1 1 101 101 GLU CA C 431 59.470 59.470 59.628 -0.158 17742 4716 1 7 . 1 1 101 101 GLU CB C 431 29.667 29.667 29.343 0.324 17742 4717 1 7 . 1 1 101 101 GLU H H 431 8.339 8.339 8.673 -0.334 17742 4718 1 7 . 1 1 102 102 HIS N N 432 118.026 118.026 118.475 -0.449 17742 4719 1 7 . 1 1 102 102 HIS HA H 432 4.463 4.463 4.439 0.024 17742 4720 1 7 . 1 1 102 102 HIS C C 432 177.322 177.322 177.401 -0.079 17742 4721 1 7 . 1 1 102 102 HIS CA C 432 58.432 58.432 58.881 -0.449 17742 4722 1 7 . 1 1 102 102 HIS CB C 432 29.237 29.237 30.401 -1.164 17742 4723 1 7 . 1 1 102 102 HIS H H 432 7.995 7.995 7.562 0.433 17742 4724 1 7 . 1 1 103 103 LEU N N 433 120.785 120.785 121.723 -0.938 17742 4725 1 7 . 1 1 103 103 LEU HA H 433 3.971 3.971 4.209 -0.238 17742 4726 1 7 . 1 1 103 103 LEU C C 433 179.014 179.014 178.668 0.346 17742 4727 1 7 . 1 1 103 103 LEU CA C 433 57.570 57.570 57.305 0.265 17742 4728 1 7 . 1 1 103 103 LEU CB C 433 41.606 41.606 41.212 0.394 17742 4729 1 7 . 1 1 103 103 LEU H H 433 8.077 8.077 8.106 -0.029 17742 4730 1 7 . 1 1 104 104 GLU N N 434 119.107 119.107 119.535 -0.428 17742 4731 1 7 . 1 1 104 104 GLU HA H 434 4.025 4.025 3.947 0.078 17742 4732 1 7 . 1 1 104 104 GLU C C 434 178.187 178.187 178.715 -0.528 17742 4733 1 7 . 1 1 104 104 GLU CA C 434 60.221 60.221 60.722 -0.501 17742 4734 1 7 . 1 1 104 104 GLU CB C 434 30.104 30.104 29.189 0.915 17742 4735 1 7 . 1 1 104 104 GLU H H 434 8.443 8.443 8.534 -0.091 17742 4736 1 7 . 1 1 105 105 SER N N 435 114.129 114.129 111.508 2.621 17742 4737 1 7 . 1 1 105 105 SER HA H 435 4.204 4.204 4.077 0.127 17742 4738 1 7 . 1 1 105 105 SER C C 435 175.924 175.924 176.013 -0.089 17742 4739 1 7 . 1 1 105 105 SER CA C 435 61.303 61.303 61.241 0.062 17742 4740 1 7 . 1 1 105 105 SER CB C 435 63.070 63.070 62.392 0.678 17742 4741 1 7 . 1 1 105 105 SER H H 435 8.041 8.041 8.463 -0.422 17742 4742 1 7 . 1 1 106 106 GLN N N 436 120.201 120.201 120.450 -0.249 17742 4743 1 7 . 1 1 106 106 GLN HA H 436 4.124 4.124 4.152 -0.028 17742 4744 1 7 . 1 1 106 106 GLN C C 436 178.242 178.242 178.263 -0.021 17742 4745 1 7 . 1 1 106 106 GLN CA C 436 58.242 58.242 58.148 0.094 17742 4746 1 7 . 1 1 106 106 GLN CB C 436 29.001 29.001 29.165 -0.164 17742 4747 1 7 . 1 1 106 106 GLN H H 436 7.823 7.823 7.670 0.153 17742 4748 1 7 . 1 1 107 107 VAL N N 437 117.503 117.503 120.721 -3.218 17742 4749 1 7 . 1 1 107 107 VAL HA H 437 3.955 3.955 3.941 0.014 17742 4750 1 7 . 1 1 107 107 VAL C C 437 177.462 177.462 177.144 0.318 17742 4751 1 7 . 1 1 107 107 VAL CA C 437 64.414 64.414 65.667 -1.253 17742 4752 1 7 . 1 1 107 107 VAL CB C 437 32.192 32.192 31.895 0.297 17742 4753 1 7 . 1 1 107 107 VAL H H 437 7.711 7.711 8.574 -0.863 17742 4754 1 7 . 1 1 108 108 LEU HA H 438 4.072 4.072 4.097 -0.025 17742 4755 1 7 . 1 1 108 108 LEU C C 438 177.614 177.614 177.040 0.574 17742 4756 1 7 . 1 1 108 108 LEU CA C 438 56.521 56.521 56.471 0.050 17742 4757 1 7 . 1 1 108 108 LEU CB C 438 42.149 42.149 41.452 0.697 17742 4758 1 7 . 1 1 109 109 ASP N N 439 118.500 118.500 116.869 1.631 17742 4759 1 7 . 1 1 109 109 ASP HA H 439 4.685 4.685 4.506 0.179 17742 4760 1 7 . 1 1 109 109 ASP C C 439 176.372 176.372 177.842 -1.470 17742 4761 1 7 . 1 1 109 109 ASP CA C 439 54.653 54.653 54.980 -0.327 17742 4762 1 7 . 1 1 109 109 ASP CB C 439 41.425 41.425 41.629 -0.204 17742 4763 1 7 . 1 1 109 109 ASP H H 439 7.872 7.872 7.467 0.405 17742 4764 1 7 . 1 1 110 110 GLU N N 440 120.701 120.701 118.901 1.800 17742 4765 1 7 . 1 1 110 110 GLU HA H 440 4.188 4.188 4.069 0.119 17742 4766 1 7 . 1 1 110 110 GLU C C 440 176.739 176.739 176.911 -0.172 17742 4767 1 7 . 1 1 110 110 GLU CA C 440 57.310 57.310 58.518 -1.208 17742 4768 1 7 . 1 1 110 110 GLU CB C 440 30.091 30.091 30.208 -0.117 17742 4769 1 7 . 1 1 110 110 GLU H H 440 7.929 7.929 8.021 -0.092 17742 4770 1 7 . 1 1 111 111 GLN N N 441 120.829 120.829 117.279 3.550 17742 4771 1 7 . 1 1 111 111 GLN HA H 441 4.341 4.341 4.600 -0.259 17742 4772 1 7 . 1 1 111 111 GLN C C 441 176.214 176.214 175.860 0.354 17742 4773 1 7 . 1 1 111 111 GLN CA C 441 56.103 56.103 54.332 1.771 17742 4774 1 7 . 1 1 111 111 GLN CB C 441 29.607 29.607 30.468 -0.861 17742 4775 1 7 . 1 1 111 111 GLN H H 441 8.434 8.434 7.492 0.942 17742 4776 1 7 . 1 1 112 112 THR N N 442 114.861 114.861 117.531 -2.670 17742 4777 1 7 . 1 1 112 112 THR HA H 442 4.258 4.258 4.121 0.137 17742 4778 1 7 . 1 1 112 112 THR C C 442 174.095 174.095 175.902 -1.807 17742 4779 1 7 . 1 1 112 112 THR CA C 442 62.140 62.140 61.812 0.328 17742 4780 1 7 . 1 1 112 112 THR CB C 442 69.870 69.870 68.793 1.077 17742 4781 1 7 . 1 1 112 112 THR H H 442 8.038 8.038 8.517 -0.479 17742 4782 1 7 . 1 1 113 113 TYR N N 443 122.709 122.709 118.553 4.156 17742 4783 1 7 . 1 1 113 113 TYR HA H 443 4.552 4.552 4.398 0.154 17742 4784 1 7 . 1 1 113 113 TYR C C 443 175.303 175.303 174.907 0.396 17742 4785 1 7 . 1 1 113 113 TYR CA C 443 57.921 57.921 56.409 1.512 17742 4786 1 7 . 1 1 113 113 TYR CB C 443 38.982 38.982 36.100 2.882 17742 4787 1 7 . 1 1 113 113 TYR H H 443 8.171 8.171 8.164 0.007 17742 4788 1 7 . 1 1 114 114 GLN N N 444 122.768 122.768 117.154 5.614 17742 4789 1 7 . 1 1 114 114 GLN HA H 444 4.284 4.284 3.796 0.488 17742 4790 1 7 . 1 1 114 114 GLN C C 444 175.372 175.372 174.647 0.725 17742 4791 1 7 . 1 1 114 114 GLN CA C 444 55.543 55.543 56.072 -0.529 17742 4792 1 7 . 1 1 114 114 GLN CB C 444 29.894 29.894 26.541 3.353 17742 4793 1 7 . 1 1 114 114 GLN H H 444 8.202 8.202 7.925 0.277 17742 4794 1 7 . 1 1 115 115 GLU N N 445 122.370 122.370 119.419 2.951 17742 4795 1 7 . 1 1 115 115 GLU HA H 445 4.225 4.225 3.547 0.678 17742 4796 1 7 . 1 1 115 115 GLU C C 445 176.058 176.058 175.331 0.727 17742 4797 1 7 . 1 1 115 115 GLU CA C 445 56.612 56.612 57.298 -0.686 17742 4798 1 7 . 1 1 115 115 GLU CB C 445 30.517 30.517 28.916 1.601 17742 4799 1 7 . 1 1 115 115 GLU H H 445 8.371 8.371 8.085 0.286 17742 4800 1 7 . 1 1 116 116 ASP N N 446 121.090 121.090 125.551 -4.461 17742 4801 1 7 . 1 1 116 116 ASP HA H 446 4.595 4.595 4.723 -0.128 17742 4802 1 7 . 1 1 116 116 ASP C C 446 175.872 175.872 175.953 -0.081 17742 4803 1 7 . 1 1 116 116 ASP CA C 446 54.382 54.382 54.570 -0.188 17742 4804 1 7 . 1 1 116 116 ASP CB C 446 41.402 41.402 42.311 -0.909 17742 4805 1 7 . 1 1 116 116 ASP H H 446 8.336 8.336 8.002 0.334 17742 4806 1 7 . 1 1 117 117 GLU N N 447 121.977 121.977 122.222 -0.245 17742 4807 1 7 . 1 1 117 117 GLU HA H 447 4.575 4.575 4.524 0.051 17742 4808 1 7 . 1 1 117 117 GLU CA C 447 54.442 54.442 54.750 -0.308 17742 4809 1 7 . 1 1 117 117 GLU CB C 447 30.254 30.254 28.960 1.294 17742 4810 1 7 . 1 1 117 117 GLU H H 447 8.194 8.194 8.113 0.081 17742 4811 1 7 . 1 1 118 118 PRO HA H 448 4.461 4.461 4.370 0.091 17742 4812 1 7 . 1 1 118 118 PRO C C 448 177.160 177.160 176.133 1.027 17742 4813 1 7 . 1 1 118 118 PRO CA C 448 63.371 63.371 64.099 -0.728 17742 4814 1 7 . 1 1 118 118 PRO CB C 448 32.302 32.302 31.528 0.774 17742 4815 1 7 . 1 1 119 119 THR N N 449 114.788 114.788 117.803 -3.015 17742 4816 1 7 . 1 1 119 119 THR HA H 449 4.292 4.292 4.483 -0.191 17742 4817 1 7 . 1 1 119 119 THR C C 449 174.664 174.664 174.755 -0.091 17742 4818 1 7 . 1 1 119 119 THR CA C 449 62.117 62.117 60.768 1.349 17742 4819 1 7 . 1 1 119 119 THR CB C 449 69.861 69.861 70.099 -0.238 17742 4820 1 7 . 1 1 119 119 THR H H 449 8.235 8.235 7.394 0.841 17742 4821 1 7 . 1 1 120 120 ILE N N 450 123.074 123.074 121.939 1.135 17742 4822 1 7 . 1 1 120 120 ILE HA H 450 4.169 4.169 3.708 0.461 17742 4823 1 7 . 1 1 120 120 ILE C C 450 175.683 175.683 177.426 -1.743 17742 4824 1 7 . 1 1 120 120 ILE CA C 450 60.987 60.987 63.940 -2.953 17742 4825 1 7 . 1 1 120 120 ILE CB C 450 38.983 38.983 37.311 1.672 17742 4826 1 7 . 1 1 120 120 ILE H H 450 8.043 8.043 8.678 -0.635 17742 4827 1 7 . 1 1 121 121 ALA N N 451 128.011 128.011 119.131 8.880 17742 4828 1 7 . 1 1 121 121 ALA HA H 451 4.332 4.332 4.043 0.289 17742 4829 1 7 . 1 1 121 121 ALA C C 451 177.333 177.333 176.352 0.981 17742 4830 1 7 . 1 1 121 121 ALA CA C 451 52.364 52.364 53.382 -1.018 17742 4831 1 7 . 1 1 121 121 ALA CB C 451 19.534 19.534 18.208 1.326 17742 4832 1 7 . 1 1 121 121 ALA H H 451 8.277 8.277 8.698 -0.421 17742 4833 1 7 . 1 1 122 122 SER N N 452 116.575 116.575 111.531 5.044 17742 4834 1 7 . 1 1 122 122 SER HA H 452 4.672 4.672 4.592 0.080 17742 4835 1 7 . 1 1 122 122 SER CA C 452 56.230 56.230 56.364 -0.134 17742 4836 1 7 . 1 1 122 122 SER CB C 452 63.460 63.460 64.393 -0.933 17742 4837 1 7 . 1 1 122 122 SER H H 452 8.161 8.161 7.879 0.282 17742 4838 1 7 . 1 1 123 123 PRO HA H 453 4.395 4.395 4.269 0.126 17742 4839 1 7 . 1 1 123 123 PRO C C 453 176.993 176.993 176.793 0.200 17742 4840 1 7 . 1 1 123 123 PRO CA C 453 63.303 63.303 63.370 -0.067 17742 4841 1 7 . 1 1 123 123 PRO CB C 453 32.149 32.149 32.062 0.087 17742 4842 1 7 . 1 1 124 124 VAL N N 454 119.733 119.733 123.254 -3.521 17742 4843 1 7 . 1 1 124 124 VAL HA H 454 4.010 4.010 3.868 0.142 17742 4844 1 7 . 1 1 124 124 VAL CA C 454 62.674 62.674 62.925 -0.251 17742 4845 1 7 . 1 1 124 124 VAL CB C 454 32.669 32.669 32.139 0.530 17742 4846 1 7 . 1 1 124 124 VAL H H 454 8.058 8.058 8.021 0.037 17742 4847 1 7 . 1 1 125 125 GLY N N 455 111.901 111.901 106.440 5.461 17742 4848 1 7 . 1 1 125 125 GLY CA C 455 45.152 45.152 45.217 -0.065 17742 4849 1 7 . 1 1 125 125 GLY H H 455 8.255 8.255 7.528 0.727 17742 4850 1 7 . 1 1 126 126 TRP N N 456 122.405 122.405 122.630 -0.225 17742 4851 1 7 . 1 1 126 126 TRP HA H 456 4.929 4.929 5.148 -0.219 17742 4852 1 7 . 1 1 126 126 TRP CA C 456 55.029 55.029 53.747 1.282 17742 4853 1 7 . 1 1 126 126 TRP CB C 456 29.383 29.383 29.147 0.236 17742 4854 1 7 . 1 1 126 126 TRP H H 456 7.906 7.906 7.280 0.626 17742 4855 1 7 . 1 1 127 127 PRO HA H 457 4.429 4.429 4.586 -0.157 17742 4856 1 7 . 1 1 127 127 PRO C C 457 175.951 175.951 176.115 -0.164 17742 4857 1 7 . 1 1 127 127 PRO CA C 457 63.558 63.558 63.044 0.514 17742 4858 1 7 . 1 1 127 127 PRO CB C 457 31.932 31.932 30.699 1.233 17742 4859 1 8 . 1 1 5 5 ARG N N 335 123.607 123.607 118.407 5.200 17742 4860 1 8 . 1 1 5 5 ARG HA H 335 4.382 4.382 4.604 -0.222 17742 4861 1 8 . 1 1 5 5 ARG CA C 335 56.926 56.926 54.244 2.682 17742 4862 1 8 . 1 1 5 5 ARG H H 335 9.161 9.161 8.163 0.998 17742 4863 1 8 . 1 1 6 6 LEU N N 336 122.412 122.412 113.874 8.538 17742 4864 1 8 . 1 1 6 6 LEU CB C 336 42.172 42.172 40.729 1.443 17742 4865 1 8 . 1 1 6 6 LEU H H 336 8.775 8.775 8.218 0.557 17742 4866 1 8 . 1 1 7 7 LEU HA H 337 3.669 3.669 4.343 -0.674 17742 4867 1 8 . 1 1 7 7 LEU CA C 337 59.053 59.053 58.648 0.405 17742 4868 1 8 . 1 1 7 7 LEU CB C 337 40.447 40.447 42.066 -1.619 17742 4869 1 8 . 1 1 8 8 TRP N N 338 114.197 114.197 115.914 -1.717 17742 4870 1 8 . 1 1 8 8 TRP HA H 338 3.747 3.747 4.581 -0.834 17742 4871 1 8 . 1 1 8 8 TRP CA C 338 60.071 60.071 58.999 1.072 17742 4872 1 8 . 1 1 8 8 TRP CB C 338 28.481 28.481 28.453 0.029 17742 4873 1 8 . 1 1 8 8 TRP H H 338 7.595 7.595 7.432 0.163 17742 4874 1 8 . 1 1 9 9 ASP HA H 339 3.648 3.648 4.582 -0.934 17742 4875 1 8 . 1 1 9 9 ASP C C 339 177.491 177.491 177.454 0.037 17742 4876 1 8 . 1 1 9 9 ASP CA C 339 56.197 56.197 57.390 -1.193 17742 4877 1 8 . 1 1 9 9 ASP CB C 339 41.702 41.702 40.255 1.447 17742 4878 1 8 . 1 1 10 10 TYR N N 340 120.786 120.786 120.355 0.431 17742 4879 1 8 . 1 1 10 10 TYR HA H 340 3.851 3.851 4.091 -0.240 17742 4880 1 8 . 1 1 10 10 TYR C C 340 177.016 177.016 177.093 -0.077 17742 4881 1 8 . 1 1 10 10 TYR CA C 340 61.921 61.921 60.720 1.201 17742 4882 1 8 . 1 1 10 10 TYR CB C 340 39.202 39.202 38.257 0.945 17742 4883 1 8 . 1 1 10 10 TYR H H 340 7.929 7.929 7.863 0.066 17742 4884 1 8 . 1 1 11 11 VAL N N 341 114.828 114.828 118.736 -3.908 17742 4885 1 8 . 1 1 11 11 VAL HA H 341 2.982 2.982 3.495 -0.513 17742 4886 1 8 . 1 1 11 11 VAL C C 341 176.795 176.795 177.065 -0.270 17742 4887 1 8 . 1 1 11 11 VAL CA C 341 66.855 66.855 66.024 0.831 17742 4888 1 8 . 1 1 11 11 VAL CB C 341 31.152 31.152 31.925 -0.773 17742 4889 1 8 . 1 1 11 11 VAL H H 341 8.291 8.291 8.228 0.063 17742 4890 1 8 . 1 1 12 12 TYR N N 342 119.177 119.177 119.979 -0.802 17742 4891 1 8 . 1 1 12 12 TYR HA H 342 3.617 3.617 3.828 -0.211 17742 4892 1 8 . 1 1 12 12 TYR C C 342 178.765 178.765 176.927 1.838 17742 4893 1 8 . 1 1 12 12 TYR CA C 342 62.960 62.960 61.028 1.932 17742 4894 1 8 . 1 1 12 12 TYR CB C 342 38.232 38.232 38.260 -0.028 17742 4895 1 8 . 1 1 12 12 TYR H H 342 7.712 7.712 7.729 -0.017 17742 4896 1 8 . 1 1 13 13 GLN N N 343 118.873 118.873 117.667 1.206 17742 4897 1 8 . 1 1 13 13 GLN HA H 343 3.833 3.833 3.975 -0.142 17742 4898 1 8 . 1 1 13 13 GLN C C 343 179.917 179.917 178.538 1.379 17742 4899 1 8 . 1 1 13 13 GLN CA C 343 58.821 58.821 57.569 1.252 17742 4900 1 8 . 1 1 13 13 GLN CB C 343 27.649 27.649 28.462 -0.812 17742 4901 1 8 . 1 1 13 13 GLN H H 343 8.076 8.076 7.971 0.105 17742 4902 1 8 . 1 1 14 14 LEU N N 344 121.381 121.381 120.246 1.135 17742 4903 1 8 . 1 1 14 14 LEU HA H 344 3.611 3.611 3.781 -0.170 17742 4904 1 8 . 1 1 14 14 LEU C C 344 179.861 179.861 178.992 0.869 17742 4905 1 8 . 1 1 14 14 LEU CA C 344 58.121 58.121 57.152 0.969 17742 4906 1 8 . 1 1 14 14 LEU CB C 344 41.382 41.382 41.461 -0.079 17742 4907 1 8 . 1 1 14 14 LEU H H 344 7.772 7.772 7.497 0.275 17742 4908 1 8 . 1 1 15 15 LEU N N 345 116.801 116.801 115.857 0.944 17742 4909 1 8 . 1 1 15 15 LEU HA H 345 3.513 3.513 3.933 -0.420 17742 4910 1 8 . 1 1 15 15 LEU C C 345 178.221 178.221 177.511 0.710 17742 4911 1 8 . 1 1 15 15 LEU CA C 345 56.568 56.568 56.429 0.139 17742 4912 1 8 . 1 1 15 15 LEU CB C 345 41.431 41.431 40.973 0.458 17742 4913 1 8 . 1 1 15 15 LEU H H 345 7.546 7.546 7.384 0.162 17742 4914 1 8 . 1 1 16 16 SER N N 346 112.511 112.511 111.638 0.873 17742 4915 1 8 . 1 1 16 16 SER HA H 346 4.542 4.542 4.493 0.049 17742 4916 1 8 . 1 1 16 16 SER C C 346 172.510 172.510 173.959 -1.449 17742 4917 1 8 . 1 1 16 16 SER CA C 346 58.891 58.891 57.974 0.917 17742 4918 1 8 . 1 1 16 16 SER CB C 346 63.993 63.993 63.542 0.451 17742 4919 1 8 . 1 1 16 16 SER H H 346 7.277 7.277 7.266 0.011 17742 4920 1 8 . 1 1 17 17 ASP N N 347 122.234 122.234 121.144 1.090 17742 4921 1 8 . 1 1 17 17 ASP HA H 347 4.969 4.969 4.854 0.115 17742 4922 1 8 . 1 1 17 17 ASP C C 347 175.703 175.703 176.602 -0.899 17742 4923 1 8 . 1 1 17 17 ASP CA C 347 52.761 52.761 53.030 -0.269 17742 4924 1 8 . 1 1 17 17 ASP CB C 347 43.427 43.427 43.417 0.010 17742 4925 1 8 . 1 1 17 17 ASP H H 347 7.353 7.353 7.504 -0.151 17742 4926 1 8 . 1 1 18 18 SER N N 348 120.139 120.139 120.742 -0.603 17742 4927 1 8 . 1 1 18 18 SER HA H 348 4.371 4.371 4.347 0.024 17742 4928 1 8 . 1 1 18 18 SER C C 348 176.259 176.259 176.037 0.222 17742 4929 1 8 . 1 1 18 18 SER CA C 348 61.131 61.131 60.278 0.853 17742 4930 1 8 . 1 1 18 18 SER CB C 348 63.177 63.177 63.245 -0.068 17742 4931 1 8 . 1 1 18 18 SER H H 348 8.691 8.691 8.805 -0.114 17742 4932 1 8 . 1 1 19 19 ARG N N 349 122.716 122.716 123.447 -0.731 17742 4933 1 8 . 1 1 19 19 ARG HA H 349 4.114 4.114 3.905 0.209 17742 4934 1 8 . 1 1 19 19 ARG C C 349 178.154 178.154 178.077 0.077 17742 4935 1 8 . 1 1 19 19 ARG CA C 349 58.531 58.531 58.868 -0.338 17742 4936 1 8 . 1 1 19 19 ARG CB C 349 29.794 29.794 29.693 0.101 17742 4937 1 8 . 1 1 19 19 ARG H H 349 8.586 8.586 7.905 0.681 17742 4938 1 8 . 1 1 20 20 TYR N N 350 116.201 116.201 116.835 -0.634 17742 4939 1 8 . 1 1 20 20 TYR HA H 350 4.883 4.883 4.828 0.055 17742 4940 1 8 . 1 1 20 20 TYR C C 350 177.029 177.029 176.104 0.925 17742 4941 1 8 . 1 1 20 20 TYR CA C 350 58.741 58.741 56.442 2.299 17742 4942 1 8 . 1 1 20 20 TYR CB C 350 37.642 37.642 36.229 1.413 17742 4943 1 8 . 1 1 20 20 TYR H H 350 8.291 8.291 7.451 0.840 17742 4944 1 8 . 1 1 21 21 GLU N N 351 120.803 120.803 120.207 0.596 17742 4945 1 8 . 1 1 21 21 GLU HA H 351 4.466 4.466 4.353 0.113 17742 4946 1 8 . 1 1 21 21 GLU C C 351 176.324 176.324 177.074 -0.750 17742 4947 1 8 . 1 1 21 21 GLU CA C 351 59.132 59.132 58.309 0.823 17742 4948 1 8 . 1 1 21 21 GLU CB C 351 29.864 29.864 28.880 0.984 17742 4949 1 8 . 1 1 21 21 GLU H H 351 7.513 7.513 7.782 -0.269 17742 4950 1 8 . 1 1 22 22 ASN N N 352 114.531 114.531 115.979 -1.448 17742 4951 1 8 . 1 1 22 22 ASN HA H 352 4.492 4.492 4.589 -0.097 17742 4952 1 8 . 1 1 22 22 ASN C C 352 174.497 174.497 175.533 -1.036 17742 4953 1 8 . 1 1 22 22 ASN CA C 352 54.122 54.122 53.846 0.276 17742 4954 1 8 . 1 1 22 22 ASN CB C 352 36.935 36.935 39.002 -2.067 17742 4955 1 8 . 1 1 22 22 ASN H H 352 8.649 8.649 7.968 0.681 17742 4956 1 8 . 1 1 23 23 PHE N N 353 115.501 115.501 116.810 -1.309 17742 4957 1 8 . 1 1 23 23 PHE HA H 353 4.751 4.751 4.646 0.105 17742 4958 1 8 . 1 1 23 23 PHE C C 353 176.442 176.442 175.105 1.337 17742 4959 1 8 . 1 1 23 23 PHE CB C 353 41.502 41.502 41.871 -0.369 17742 4960 1 8 . 1 1 23 23 PHE H H 353 8.555 8.555 7.946 0.609 17742 4961 1 8 . 1 1 24 24 ILE N N 354 120.734 120.734 117.878 2.856 17742 4962 1 8 . 1 1 24 24 ILE HA H 354 5.059 5.059 5.035 0.024 17742 4963 1 8 . 1 1 24 24 ILE C C 354 179.332 179.332 173.202 6.130 17742 4964 1 8 . 1 1 24 24 ILE CA C 354 59.831 59.831 60.429 -0.598 17742 4965 1 8 . 1 1 24 24 ILE CB C 354 40.623 40.623 41.902 -1.279 17742 4966 1 8 . 1 1 24 24 ILE H H 354 8.428 8.428 8.858 -0.430 17742 4967 1 8 . 1 1 25 25 ARG N N 355 121.187 121.187 123.615 -2.428 17742 4968 1 8 . 1 1 25 25 ARG HA H 355 4.904 4.904 4.828 0.076 17742 4969 1 8 . 1 1 25 25 ARG C C 355 175.152 175.152 174.103 1.049 17742 4970 1 8 . 1 1 25 25 ARG CA C 355 54.529 54.529 54.391 0.138 17742 4971 1 8 . 1 1 25 25 ARG CB C 355 33.599 33.599 33.515 0.084 17742 4972 1 8 . 1 1 25 25 ARG H H 355 8.671 8.671 8.786 -0.115 17742 4973 1 8 . 1 1 26 26 TRP N N 356 122.024 122.024 122.515 -0.491 17742 4974 1 8 . 1 1 26 26 TRP HA H 356 4.884 4.884 4.732 0.152 17742 4975 1 8 . 1 1 26 26 TRP C C 356 176.642 176.642 176.648 -0.006 17742 4976 1 8 . 1 1 26 26 TRP CA C 356 57.960 57.960 57.884 0.076 17742 4977 1 8 . 1 1 26 26 TRP CB C 356 30.634 30.634 29.536 1.098 17742 4978 1 8 . 1 1 26 26 TRP H H 356 9.159 9.159 8.861 0.298 17742 4979 1 8 . 1 1 27 27 GLU N N 357 125.331 125.331 124.493 0.838 17742 4980 1 8 . 1 1 27 27 GLU HA H 357 4.681 4.681 4.432 0.249 17742 4981 1 8 . 1 1 27 27 GLU C C 357 176.775 176.775 176.964 -0.189 17742 4982 1 8 . 1 1 27 27 GLU CA C 357 56.990 56.990 58.046 -1.056 17742 4983 1 8 . 1 1 27 27 GLU CB C 357 31.579 31.579 30.585 0.994 17742 4984 1 8 . 1 1 27 27 GLU H H 357 9.504 9.504 8.716 0.788 17742 4985 1 8 . 1 1 28 28 ASP N N 358 116.213 116.213 121.026 -4.813 17742 4986 1 8 . 1 1 28 28 ASP HA H 358 4.771 4.771 5.046 -0.275 17742 4987 1 8 . 1 1 28 28 ASP C C 358 176.167 176.167 175.380 0.787 17742 4988 1 8 . 1 1 28 28 ASP CA C 358 53.541 53.541 53.624 -0.083 17742 4989 1 8 . 1 1 28 28 ASP CB C 358 41.932 41.932 41.107 0.825 17742 4990 1 8 . 1 1 28 28 ASP H H 358 7.846 7.846 8.783 -0.937 17742 4991 1 8 . 1 1 29 29 LYS N N 359 127.762 127.762 124.164 3.598 17742 4992 1 8 . 1 1 29 29 LYS HA H 359 3.157 3.157 3.333 -0.176 17742 4993 1 8 . 1 1 29 29 LYS C C 359 178.776 178.776 177.409 1.367 17742 4994 1 8 . 1 1 29 29 LYS CA C 359 60.229 60.229 60.325 -0.096 17742 4995 1 8 . 1 1 29 29 LYS CB C 359 32.734 32.734 32.226 0.508 17742 4996 1 8 . 1 1 29 29 LYS H H 359 9.216 9.216 8.587 0.629 17742 4997 1 8 . 1 1 30 30 GLU N N 360 119.601 119.601 119.009 0.592 17742 4998 1 8 . 1 1 30 30 GLU HA H 360 3.925 3.925 3.964 -0.039 17742 4999 1 8 . 1 1 30 30 GLU C C 360 178.684 178.684 178.465 0.219 17742 5000 1 8 . 1 1 30 30 GLU CA C 360 59.570 59.570 59.376 0.194 17742 5001 1 8 . 1 1 30 30 GLU CB C 360 29.177 29.177 28.836 0.341 17742 5002 1 8 . 1 1 30 30 GLU H H 360 8.340 8.340 8.780 -0.440 17742 5003 1 8 . 1 1 31 31 SER N N 361 113.301 113.301 113.852 -0.551 17742 5004 1 8 . 1 1 31 31 SER HA H 361 4.494 4.494 4.351 0.143 17742 5005 1 8 . 1 1 31 31 SER C C 361 172.357 172.357 173.997 -1.640 17742 5006 1 8 . 1 1 31 31 SER CA C 361 58.807 58.807 59.632 -0.825 17742 5007 1 8 . 1 1 31 31 SER CB C 361 63.768 63.768 63.043 0.725 17742 5008 1 8 . 1 1 31 31 SER H H 361 7.463 7.463 8.368 -0.905 17742 5009 1 8 . 1 1 32 32 LYS N N 362 115.170 115.170 113.962 1.208 17742 5010 1 8 . 1 1 32 32 LYS HA H 362 3.910 3.910 4.395 -0.485 17742 5011 1 8 . 1 1 32 32 LYS C C 362 175.500 175.500 175.636 -0.136 17742 5012 1 8 . 1 1 32 32 LYS CA C 362 57.630 57.630 56.901 0.729 17742 5013 1 8 . 1 1 32 32 LYS CB C 362 29.801 29.801 30.196 -0.395 17742 5014 1 8 . 1 1 32 32 LYS H H 362 7.752 7.752 7.416 0.336 17742 5015 1 8 . 1 1 33 33 ILE N N 363 118.274 118.274 121.375 -3.101 17742 5016 1 8 . 1 1 33 33 ILE HA H 363 5.375 5.375 5.031 0.344 17742 5017 1 8 . 1 1 33 33 ILE C C 363 177.068 177.068 175.722 1.346 17742 5018 1 8 . 1 1 33 33 ILE CA C 363 60.428 60.428 60.260 0.168 17742 5019 1 8 . 1 1 33 33 ILE CB C 363 40.206 40.206 37.367 2.839 17742 5020 1 8 . 1 1 33 33 ILE H H 363 8.262 8.262 8.203 0.059 17742 5021 1 8 . 1 1 34 34 PHE N N 364 128.285 128.285 126.624 1.661 17742 5022 1 8 . 1 1 34 34 PHE HA H 364 5.566 5.566 5.254 0.312 17742 5023 1 8 . 1 1 34 34 PHE C C 364 179.560 179.560 173.130 6.430 17742 5024 1 8 . 1 1 34 34 PHE CA C 364 55.080 55.080 54.946 0.134 17742 5025 1 8 . 1 1 34 34 PHE CB C 364 44.097 44.097 42.582 1.515 17742 5026 1 8 . 1 1 34 34 PHE H H 364 9.936 9.936 9.245 0.691 17742 5027 1 8 . 1 1 35 35 ARG N N 365 120.953 120.953 123.347 -2.394 17742 5028 1 8 . 1 1 35 35 ARG HA H 365 5.484 5.484 4.635 0.849 17742 5029 1 8 . 1 1 35 35 ARG C C 365 176.522 176.522 174.680 1.842 17742 5030 1 8 . 1 1 35 35 ARG CA C 365 53.584 53.584 53.523 0.061 17742 5031 1 8 . 1 1 35 35 ARG CB C 365 36.439 36.439 33.723 2.716 17742 5032 1 8 . 1 1 35 35 ARG H H 365 9.430 9.430 8.910 0.520 17742 5033 1 8 . 1 1 36 36 ILE N N 366 125.455 125.455 127.795 -2.340 17742 5034 1 8 . 1 1 36 36 ILE HA H 366 4.201 4.201 4.030 0.171 17742 5035 1 8 . 1 1 36 36 ILE C C 366 173.923 173.923 175.164 -1.241 17742 5036 1 8 . 1 1 36 36 ILE CA C 366 63.110 63.110 62.389 0.721 17742 5037 1 8 . 1 1 36 36 ILE CB C 366 37.964 37.964 37.419 0.545 17742 5038 1 8 . 1 1 36 36 ILE H H 366 8.639 8.639 8.221 0.418 17742 5039 1 8 . 1 1 37 37 VAL N N 367 129.251 129.251 128.982 0.269 17742 5040 1 8 . 1 1 37 37 VAL HA H 367 3.674 3.674 3.803 -0.129 17742 5041 1 8 . 1 1 37 37 VAL C C 367 175.948 175.948 175.694 0.254 17742 5042 1 8 . 1 1 37 37 VAL CA C 367 64.171 64.171 65.259 -1.088 17742 5043 1 8 . 1 1 37 37 VAL CB C 367 32.870 32.870 32.419 0.451 17742 5044 1 8 . 1 1 37 37 VAL H H 367 7.839 7.839 8.515 -0.676 17742 5045 1 8 . 1 1 38 38 ASP N N 368 114.991 114.991 118.862 -3.871 17742 5046 1 8 . 1 1 38 38 ASP HA H 368 5.213 5.213 5.042 0.171 17742 5047 1 8 . 1 1 38 38 ASP CA C 368 50.242 50.242 50.823 -0.581 17742 5048 1 8 . 1 1 38 38 ASP CB C 368 42.169 42.169 41.455 0.714 17742 5049 1 8 . 1 1 38 38 ASP H H 368 7.279 7.279 8.116 -0.837 17742 5050 1 8 . 1 1 39 39 PRO HA H 369 3.794 3.794 4.379 -0.585 17742 5051 1 8 . 1 1 39 39 PRO C C 369 178.037 178.037 178.279 -0.242 17742 5052 1 8 . 1 1 39 39 PRO CA C 369 65.619 65.619 65.916 -0.297 17742 5053 1 8 . 1 1 39 39 PRO CB C 369 31.057 31.057 31.841 -0.784 17742 5054 1 8 . 1 1 40 40 ASN N N 370 115.439 115.439 116.255 -0.816 17742 5055 1 8 . 1 1 40 40 ASN HA H 370 4.596 4.596 4.619 -0.023 17742 5056 1 8 . 1 1 40 40 ASN C C 370 178.570 178.570 177.770 0.800 17742 5057 1 8 . 1 1 40 40 ASN CA C 370 56.501 56.501 56.112 0.389 17742 5058 1 8 . 1 1 40 40 ASN CB C 370 38.012 38.012 37.920 0.092 17742 5059 1 8 . 1 1 40 40 ASN H H 370 8.121 8.121 8.707 -0.586 17742 5060 1 8 . 1 1 41 41 GLY N N 371 111.317 111.317 108.617 2.700 17742 5061 1 8 . 1 1 41 41 GLY C C 371 176.090 176.090 176.675 -0.585 17742 5062 1 8 . 1 1 41 41 GLY CA C 371 47.932 47.932 47.014 0.918 17742 5063 1 8 . 1 1 41 41 GLY H H 371 8.622 8.622 8.221 0.401 17742 5064 1 8 . 1 1 42 42 LEU N N 372 122.892 122.892 123.857 -0.965 17742 5065 1 8 . 1 1 42 42 LEU HA H 372 4.031 4.031 4.276 -0.245 17742 5066 1 8 . 1 1 42 42 LEU C C 372 177.766 177.766 178.974 -1.208 17742 5067 1 8 . 1 1 42 42 LEU CA C 372 57.830 57.830 57.841 -0.011 17742 5068 1 8 . 1 1 42 42 LEU CB C 372 42.132 42.132 41.336 0.797 17742 5069 1 8 . 1 1 42 42 LEU H H 372 8.881 8.881 8.676 0.205 17742 5070 1 8 . 1 1 43 43 ALA N N 373 120.112 120.112 121.773 -1.661 17742 5071 1 8 . 1 1 43 43 ALA HA H 373 4.458 4.458 4.145 0.313 17742 5072 1 8 . 1 1 43 43 ALA C C 373 179.093 179.093 179.902 -0.809 17742 5073 1 8 . 1 1 43 43 ALA CA C 373 55.451 55.451 55.205 0.246 17742 5074 1 8 . 1 1 43 43 ALA CB C 373 18.324 18.324 18.525 -0.201 17742 5075 1 8 . 1 1 43 43 ALA H H 373 8.072 8.072 8.868 -0.796 17742 5076 1 8 . 1 1 44 44 ARG N N 374 117.916 117.916 118.802 -0.886 17742 5077 1 8 . 1 1 44 44 ARG HA H 374 4.093 4.093 4.117 -0.024 17742 5078 1 8 . 1 1 44 44 ARG C C 374 179.473 179.473 179.229 0.244 17742 5079 1 8 . 1 1 44 44 ARG CA C 374 59.372 59.372 58.626 0.746 17742 5080 1 8 . 1 1 44 44 ARG CB C 374 30.114 30.114 29.633 0.482 17742 5081 1 8 . 1 1 44 44 ARG H H 374 7.769 7.769 8.241 -0.472 17742 5082 1 8 . 1 1 45 45 LEU N N 375 121.489 121.489 120.043 1.446 17742 5083 1 8 . 1 1 45 45 LEU HA H 375 4.007 4.007 4.088 -0.081 17742 5084 1 8 . 1 1 45 45 LEU C C 375 180.049 180.049 179.295 0.754 17742 5085 1 8 . 1 1 45 45 LEU CA C 375 58.390 58.390 58.129 0.261 17742 5086 1 8 . 1 1 45 45 LEU CB C 375 41.552 41.552 41.661 -0.110 17742 5087 1 8 . 1 1 45 45 LEU H H 375 7.903 7.903 8.480 -0.577 17742 5088 1 8 . 1 1 46 46 TRP N N 376 121.466 121.466 121.387 0.079 17742 5089 1 8 . 1 1 46 46 TRP HA H 376 4.089 4.089 3.813 0.276 17742 5090 1 8 . 1 1 46 46 TRP C C 376 177.939 177.939 178.467 -0.528 17742 5091 1 8 . 1 1 46 46 TRP CA C 376 60.022 60.022 60.762 -0.740 17742 5092 1 8 . 1 1 46 46 TRP CB C 376 28.817 28.817 29.089 -0.272 17742 5093 1 8 . 1 1 46 46 TRP H H 376 8.633 8.633 8.571 0.062 17742 5094 1 8 . 1 1 47 47 GLY N N 377 105.142 105.142 106.608 -1.466 17742 5095 1 8 . 1 1 47 47 GLY C C 377 176.128 176.128 175.569 0.559 17742 5096 1 8 . 1 1 47 47 GLY CA C 377 48.035 48.035 47.143 0.892 17742 5097 1 8 . 1 1 47 47 GLY H H 377 8.828 8.828 8.947 -0.119 17742 5098 1 8 . 1 1 48 48 ASN N N 378 120.327 120.327 121.291 -0.964 17742 5099 1 8 . 1 1 48 48 ASN HA H 378 4.402 4.402 4.339 0.063 17742 5100 1 8 . 1 1 48 48 ASN C C 378 178.625 178.625 177.857 0.768 17742 5101 1 8 . 1 1 48 48 ASN CA C 378 56.231 56.231 55.822 0.409 17742 5102 1 8 . 1 1 48 48 ASN CB C 378 38.132 38.132 38.334 -0.202 17742 5103 1 8 . 1 1 48 48 ASN H H 378 8.212 8.212 8.114 0.098 17742 5104 1 8 . 1 1 49 49 HIS N N 379 121.871 121.871 120.118 1.753 17742 5105 1 8 . 1 1 49 49 HIS HA H 379 4.205 4.205 4.277 -0.072 17742 5106 1 8 . 1 1 49 49 HIS C C 379 176.086 176.086 176.509 -0.423 17742 5107 1 8 . 1 1 49 49 HIS CA C 379 59.390 59.390 58.496 0.894 17742 5108 1 8 . 1 1 49 49 HIS CB C 379 29.564 29.564 29.494 0.070 17742 5109 1 8 . 1 1 49 49 HIS H H 379 8.094 8.094 7.624 0.470 17742 5110 1 8 . 1 1 50 50 LYS N N 380 115.181 115.181 116.128 -0.947 17742 5111 1 8 . 1 1 50 50 LYS HA H 380 3.911 3.911 4.010 -0.099 17742 5112 1 8 . 1 1 50 50 LYS C C 380 175.348 175.348 175.305 0.043 17742 5113 1 8 . 1 1 50 50 LYS CA C 380 53.632 53.632 54.655 -1.023 17742 5114 1 8 . 1 1 50 50 LYS CB C 380 30.742 30.742 31.268 -0.526 17742 5115 1 8 . 1 1 50 50 LYS H H 380 7.482 7.482 7.393 0.089 17742 5116 1 8 . 1 1 51 51 ASN N N 381 116.362 116.362 114.085 2.277 17742 5117 1 8 . 1 1 51 51 ASN HA H 381 4.259 4.259 4.133 0.126 17742 5118 1 8 . 1 1 51 51 ASN C C 381 174.400 174.400 174.902 -0.502 17742 5119 1 8 . 1 1 51 51 ASN CA C 381 54.312 54.312 54.514 -0.202 17742 5120 1 8 . 1 1 51 51 ASN CB C 381 37.272 37.272 37.736 -0.464 17742 5121 1 8 . 1 1 51 51 ASN H H 381 7.753 7.753 7.579 0.174 17742 5122 1 8 . 1 1 52 52 ARG N N 382 117.723 117.723 118.027 -0.304 17742 5123 1 8 . 1 1 52 52 ARG HA H 382 4.658 4.658 4.525 0.133 17742 5124 1 8 . 1 1 52 52 ARG C C 382 176.209 176.209 176.469 -0.260 17742 5125 1 8 . 1 1 52 52 ARG CA C 382 53.668 53.668 53.987 -0.319 17742 5126 1 8 . 1 1 52 52 ARG CB C 382 32.212 32.212 31.126 1.086 17742 5127 1 8 . 1 1 52 52 ARG H H 382 8.476 8.476 7.966 0.510 17742 5128 1 8 . 1 1 53 53 THR N N 383 114.109 114.109 114.157 -0.048 17742 5129 1 8 . 1 1 53 53 THR HA H 383 4.221 4.221 4.392 -0.171 17742 5130 1 8 . 1 1 53 53 THR C C 383 174.644 174.644 175.202 -0.558 17742 5131 1 8 . 1 1 53 53 THR CA C 383 62.187 62.187 63.376 -1.189 17742 5132 1 8 . 1 1 53 53 THR CB C 383 69.710 69.710 69.378 0.332 17742 5133 1 8 . 1 1 53 53 THR H H 383 8.333 8.333 8.750 -0.417 17742 5134 1 8 . 1 1 54 54 ASN N N 384 118.768 118.768 120.214 -1.446 17742 5135 1 8 . 1 1 54 54 ASN HA H 384 4.609 4.609 4.697 -0.088 17742 5136 1 8 . 1 1 54 54 ASN C C 384 174.975 174.975 174.090 0.885 17742 5137 1 8 . 1 1 54 54 ASN CA C 384 53.193 53.193 52.817 0.376 17742 5138 1 8 . 1 1 54 54 ASN CB C 384 37.632 37.632 36.824 0.808 17742 5139 1 8 . 1 1 54 54 ASN H H 384 8.521 8.521 8.546 -0.025 17742 5140 1 8 . 1 1 55 55 MET N N 385 119.621 119.621 121.400 -1.779 17742 5141 1 8 . 1 1 55 55 MET HA H 385 4.566 4.566 4.635 -0.069 17742 5142 1 8 . 1 1 55 55 MET C C 385 175.078 175.078 174.934 0.144 17742 5143 1 8 . 1 1 55 55 MET CA C 385 55.298 55.298 54.864 0.434 17742 5144 1 8 . 1 1 55 55 MET CB C 385 31.244 31.244 32.176 -0.932 17742 5145 1 8 . 1 1 55 55 MET H H 385 8.162 8.162 7.950 0.212 17742 5146 1 8 . 1 1 56 56 THR N N 386 113.114 113.114 121.705 -8.591 17742 5147 1 8 . 1 1 56 56 THR HA H 386 4.824 4.824 4.834 -0.010 17742 5148 1 8 . 1 1 56 56 THR C C 386 175.549 175.549 175.219 0.330 17742 5149 1 8 . 1 1 56 56 THR CA C 386 59.060 59.060 60.929 -1.869 17742 5150 1 8 . 1 1 56 56 THR CB C 386 72.290 72.290 70.978 1.312 17742 5151 1 8 . 1 1 56 56 THR H H 386 7.031 7.031 7.913 -0.882 17742 5152 1 8 . 1 1 57 57 TYR N N 387 123.401 123.401 126.575 -3.174 17742 5153 1 8 . 1 1 57 57 TYR HA H 387 4.134 4.134 4.135 -0.001 17742 5154 1 8 . 1 1 57 57 TYR C C 387 177.304 177.304 177.844 -0.540 17742 5155 1 8 . 1 1 57 57 TYR CA C 387 62.300 62.300 63.246 -0.946 17742 5156 1 8 . 1 1 57 57 TYR CB C 387 37.359 37.359 38.637 -1.278 17742 5157 1 8 . 1 1 57 57 TYR H H 387 9.691 9.691 9.249 0.442 17742 5158 1 8 . 1 1 58 58 GLU N N 388 120.999 120.999 117.611 3.388 17742 5159 1 8 . 1 1 58 58 GLU HA H 388 3.823 3.823 4.071 -0.248 17742 5160 1 8 . 1 1 58 58 GLU C C 388 179.213 179.213 178.304 0.909 17742 5161 1 8 . 1 1 58 58 GLU CA C 388 60.477 60.477 59.533 0.944 17742 5162 1 8 . 1 1 58 58 GLU CB C 388 28.895 28.895 29.041 -0.146 17742 5163 1 8 . 1 1 58 58 GLU H H 388 8.838 8.838 8.988 -0.150 17742 5164 1 8 . 1 1 59 59 LYS N N 389 118.962 118.962 117.198 1.764 17742 5165 1 8 . 1 1 59 59 LYS HA H 389 3.939 3.939 4.154 -0.215 17742 5166 1 8 . 1 1 59 59 LYS C C 389 178.797 178.797 178.950 -0.153 17742 5167 1 8 . 1 1 59 59 LYS CA C 389 60.065 60.065 58.775 1.290 17742 5168 1 8 . 1 1 59 59 LYS CB C 389 33.378 33.378 32.607 0.771 17742 5169 1 8 . 1 1 59 59 LYS H H 389 7.506 7.506 7.798 -0.292 17742 5170 1 8 . 1 1 60 60 MET N N 390 120.087 120.087 119.320 0.767 17742 5171 1 8 . 1 1 60 60 MET HA H 390 3.869 3.869 4.419 -0.550 17742 5172 1 8 . 1 1 60 60 MET C C 390 178.146 178.146 177.307 0.839 17742 5173 1 8 . 1 1 60 60 MET CA C 390 59.776 59.776 58.140 1.636 17742 5174 1 8 . 1 1 60 60 MET CB C 390 33.462 33.462 32.926 0.536 17742 5175 1 8 . 1 1 60 60 MET H H 390 8.051 8.051 7.865 0.186 17742 5176 1 8 . 1 1 61 61 SER N N 391 114.537 114.537 116.128 -1.591 17742 5177 1 8 . 1 1 61 61 SER HA H 391 3.786 3.786 3.888 -0.102 17742 5178 1 8 . 1 1 61 61 SER C C 391 176.380 176.380 175.871 0.509 17742 5179 1 8 . 1 1 61 61 SER CA C 391 61.600 61.600 61.390 0.210 17742 5180 1 8 . 1 1 61 61 SER CB C 391 62.251 62.251 62.353 -0.102 17742 5181 1 8 . 1 1 61 61 SER H H 391 8.853 8.853 8.319 0.534 17742 5182 1 8 . 1 1 62 62 ARG N N 392 122.214 122.214 120.032 2.182 17742 5183 1 8 . 1 1 62 62 ARG HA H 392 3.928 3.928 3.986 -0.058 17742 5184 1 8 . 1 1 62 62 ARG C C 392 178.732 178.732 177.870 0.862 17742 5185 1 8 . 1 1 62 62 ARG CA C 392 59.490 59.490 58.464 1.026 17742 5186 1 8 . 1 1 62 62 ARG CB C 392 30.207 30.207 29.511 0.696 17742 5187 1 8 . 1 1 62 62 ARG H H 392 7.471 7.471 7.556 -0.085 17742 5188 1 8 . 1 1 63 63 ALA N N 393 121.091 121.091 120.837 0.254 17742 5189 1 8 . 1 1 63 63 ALA HA H 393 4.162 4.162 4.168 -0.006 17742 5190 1 8 . 1 1 63 63 ALA C C 393 179.699 179.699 179.372 0.327 17742 5191 1 8 . 1 1 63 63 ALA CA C 393 54.722 54.722 54.231 0.491 17742 5192 1 8 . 1 1 63 63 ALA CB C 393 18.154 18.154 18.232 -0.078 17742 5193 1 8 . 1 1 63 63 ALA H H 393 7.376 7.376 7.341 0.035 17742 5194 1 8 . 1 1 64 64 LEU N N 394 117.568 117.568 118.820 -1.252 17742 5195 1 8 . 1 1 64 64 LEU HA H 394 3.777 3.777 3.059 0.718 17742 5196 1 8 . 1 1 64 64 LEU C C 394 178.085 178.085 178.251 -0.166 17742 5197 1 8 . 1 1 64 64 LEU CA C 394 58.075 58.075 56.672 1.403 17742 5198 1 8 . 1 1 64 64 LEU CB C 394 41.052 41.052 41.211 -0.159 17742 5199 1 8 . 1 1 64 64 LEU H H 394 7.853 7.853 6.949 0.904 17742 5200 1 8 . 1 1 65 65 ARG N N 395 116.111 116.111 117.936 -1.825 17742 5201 1 8 . 1 1 65 65 ARG HA H 395 3.529 3.529 3.930 -0.401 17742 5202 1 8 . 1 1 65 65 ARG C C 395 179.519 179.519 178.471 1.048 17742 5203 1 8 . 1 1 65 65 ARG CA C 395 59.133 59.133 58.613 0.520 17742 5204 1 8 . 1 1 65 65 ARG CB C 395 30.004 30.004 29.453 0.551 17742 5205 1 8 . 1 1 65 65 ARG H H 395 7.521 7.521 7.879 -0.358 17742 5206 1 8 . 1 1 66 66 HIS N N 396 118.081 118.081 116.784 1.297 17742 5207 1 8 . 1 1 66 66 HIS HA H 396 4.436 4.436 4.487 -0.051 17742 5208 1 8 . 1 1 66 66 HIS C C 396 177.826 177.826 177.784 0.042 17742 5209 1 8 . 1 1 66 66 HIS CA C 396 59.063 59.063 59.385 -0.322 17742 5210 1 8 . 1 1 66 66 HIS CB C 396 30.154 30.154 30.135 0.019 17742 5211 1 8 . 1 1 66 66 HIS H H 396 7.241 7.241 7.607 -0.366 17742 5212 1 8 . 1 1 67 67 TYR N N 397 116.301 116.301 118.204 -1.903 17742 5213 1 8 . 1 1 67 67 TYR HA H 397 4.128 4.128 4.329 -0.201 17742 5214 1 8 . 1 1 67 67 TYR C C 397 179.075 179.075 177.557 1.518 17742 5215 1 8 . 1 1 67 67 TYR CA C 397 61.525 61.525 58.377 3.148 17742 5216 1 8 . 1 1 67 67 TYR CB C 397 37.522 37.522 36.488 1.034 17742 5217 1 8 . 1 1 67 67 TYR H H 397 7.532 7.532 7.865 -0.333 17742 5218 1 8 . 1 1 68 68 TYR N N 398 121.389 121.389 118.493 2.896 17742 5219 1 8 . 1 1 68 68 TYR HA H 398 5.474 5.474 4.624 0.850 17742 5220 1 8 . 1 1 68 68 TYR C C 398 172.285 172.285 178.055 -5.770 17742 5221 1 8 . 1 1 68 68 TYR CA C 398 57.651 57.651 60.261 -2.610 17742 5222 1 8 . 1 1 68 68 TYR CB C 398 37.055 37.055 37.607 -0.552 17742 5223 1 8 . 1 1 68 68 TYR H H 398 8.061 8.061 7.273 0.788 17742 5224 1 8 . 1 1 69 69 LYS N N 399 121.098 121.098 118.943 2.155 17742 5225 1 8 . 1 1 69 69 LYS HA H 399 4.125 4.125 4.165 -0.040 17742 5226 1 8 . 1 1 69 69 LYS C C 399 178.122 178.122 178.051 0.071 17742 5227 1 8 . 1 1 69 69 LYS CA C 399 58.801 58.801 58.562 0.239 17742 5228 1 8 . 1 1 69 69 LYS CB C 399 32.242 32.242 31.974 0.268 17742 5229 1 8 . 1 1 69 69 LYS H H 399 7.799 7.799 7.674 0.125 17742 5230 1 8 . 1 1 70 70 LEU N N 400 116.117 116.117 117.404 -1.287 17742 5231 1 8 . 1 1 70 70 LEU HA H 400 4.312 4.312 4.270 0.042 17742 5232 1 8 . 1 1 70 70 LEU C C 400 175.903 175.903 176.866 -0.963 17742 5233 1 8 . 1 1 70 70 LEU CA C 400 54.642 54.642 55.304 -0.663 17742 5234 1 8 . 1 1 70 70 LEU CB C 400 42.796 42.796 41.797 0.999 17742 5235 1 8 . 1 1 70 70 LEU H H 400 7.257 7.257 7.780 -0.523 17742 5236 1 8 . 1 1 71 71 ASN N N 401 115.181 115.181 114.676 0.505 17742 5237 1 8 . 1 1 71 71 ASN HA H 401 4.368 4.368 4.484 -0.116 17742 5238 1 8 . 1 1 71 71 ASN C C 401 173.597 173.597 176.140 -2.543 17742 5239 1 8 . 1 1 71 71 ASN CA C 401 54.622 54.622 54.814 -0.192 17742 5240 1 8 . 1 1 71 71 ASN CB C 401 37.252 37.252 36.853 0.399 17742 5241 1 8 . 1 1 71 71 ASN H H 401 8.061 8.061 7.626 0.435 17742 5242 1 8 . 1 1 72 72 ILE N N 402 114.031 114.031 118.011 -3.980 17742 5243 1 8 . 1 1 72 72 ILE HA H 402 4.128 4.128 3.854 0.274 17742 5244 1 8 . 1 1 72 72 ILE C C 402 176.467 176.467 175.527 0.940 17742 5245 1 8 . 1 1 72 72 ILE CA C 402 63.720 63.720 64.511 -0.791 17742 5246 1 8 . 1 1 72 72 ILE CB C 402 40.491 40.491 38.931 1.560 17742 5247 1 8 . 1 1 72 72 ILE H H 402 8.104 8.104 8.307 -0.203 17742 5248 1 8 . 1 1 73 73 ILE N N 403 116.973 116.973 116.866 0.107 17742 5249 1 8 . 1 1 73 73 ILE HA H 403 5.014 5.014 5.131 -0.117 17742 5250 1 8 . 1 1 73 73 ILE C C 403 174.039 174.039 174.155 -0.116 17742 5251 1 8 . 1 1 73 73 ILE CA C 403 59.357 59.357 59.479 -0.122 17742 5252 1 8 . 1 1 73 73 ILE CB C 403 43.362 43.362 40.944 2.418 17742 5253 1 8 . 1 1 73 73 ILE H H 403 7.099 7.099 7.407 -0.308 17742 5254 1 8 . 1 1 74 74 ARG N N 404 123.639 123.639 126.515 -2.876 17742 5255 1 8 . 1 1 74 74 ARG HA H 404 4.771 4.771 4.936 -0.165 17742 5256 1 8 . 1 1 74 74 ARG C C 404 174.917 174.917 174.029 0.888 17742 5257 1 8 . 1 1 74 74 ARG CA C 404 54.261 54.261 54.155 0.106 17742 5258 1 8 . 1 1 74 74 ARG CB C 404 34.689 34.689 33.722 0.967 17742 5259 1 8 . 1 1 74 74 ARG H H 404 8.983 8.983 8.424 0.559 17742 5260 1 8 . 1 1 75 75 LYS N N 405 125.665 125.665 121.430 4.235 17742 5261 1 8 . 1 1 75 75 LYS HA H 405 4.071 4.071 4.783 -0.712 17742 5262 1 8 . 1 1 75 75 LYS C C 405 176.525 176.525 176.214 0.311 17742 5263 1 8 . 1 1 75 75 LYS CA C 405 56.470 56.470 55.248 1.222 17742 5264 1 8 . 1 1 75 75 LYS CB C 405 32.649 32.649 33.593 -0.944 17742 5265 1 8 . 1 1 75 75 LYS H H 405 8.263 8.263 8.389 -0.126 17742 5266 1 8 . 1 1 76 76 GLU N N 406 128.072 128.072 124.481 3.591 17742 5267 1 8 . 1 1 76 76 GLU HA H 406 4.432 4.432 4.368 0.064 17742 5268 1 8 . 1 1 76 76 GLU CA C 406 53.747 53.747 54.205 -0.458 17742 5269 1 8 . 1 1 76 76 GLU CB C 406 29.914 29.914 29.192 0.722 17742 5270 1 8 . 1 1 76 76 GLU H H 406 8.024 8.024 8.227 -0.203 17742 5271 1 8 . 1 1 77 77 PRO HA H 407 4.282 4.282 4.245 0.037 17742 5272 1 8 . 1 1 77 77 PRO C C 407 177.719 177.719 177.582 0.137 17742 5273 1 8 . 1 1 77 77 PRO CA C 407 63.407 63.407 64.020 -0.613 17742 5274 1 8 . 1 1 77 77 PRO CB C 407 32.184 32.184 31.342 0.842 17742 5275 1 8 . 1 1 78 78 GLY N N 408 109.716 109.716 112.415 -2.699 17742 5276 1 8 . 1 1 78 78 GLY C C 408 174.053 174.053 173.954 0.099 17742 5277 1 8 . 1 1 78 78 GLY CA C 408 45.519 45.519 45.036 0.483 17742 5278 1 8 . 1 1 78 78 GLY H H 408 8.531 8.531 8.682 -0.151 17742 5279 1 8 . 1 1 79 79 GLN N N 409 116.964 116.964 118.489 -1.525 17742 5280 1 8 . 1 1 79 79 GLN HA H 409 4.488 4.488 4.610 -0.122 17742 5281 1 8 . 1 1 79 79 GLN C C 409 175.390 175.390 176.097 -0.707 17742 5282 1 8 . 1 1 79 79 GLN CA C 409 54.359 54.359 54.480 -0.121 17742 5283 1 8 . 1 1 79 79 GLN CB C 409 31.202 31.202 31.146 0.056 17742 5284 1 8 . 1 1 79 79 GLN H H 409 7.559 7.559 7.779 -0.220 17742 5285 1 8 . 1 1 80 80 ARG N N 410 120.457 120.457 121.757 -1.300 17742 5286 1 8 . 1 1 80 80 ARG HA H 410 4.262 4.262 4.251 0.011 17742 5287 1 8 . 1 1 80 80 ARG C C 410 176.270 176.270 177.356 -1.086 17742 5288 1 8 . 1 1 80 80 ARG CA C 410 56.821 56.821 57.559 -0.738 17742 5289 1 8 . 1 1 80 80 ARG CB C 410 31.502 31.502 29.498 2.004 17742 5290 1 8 . 1 1 80 80 ARG H H 410 8.251 8.251 8.644 -0.393 17742 5291 1 8 . 1 1 81 81 LEU N N 411 119.348 119.348 119.946 -0.598 17742 5292 1 8 . 1 1 81 81 LEU HA H 411 4.023 4.023 4.340 -0.317 17742 5293 1 8 . 1 1 81 81 LEU C C 411 173.279 173.279 174.980 -1.701 17742 5294 1 8 . 1 1 81 81 LEU CA C 411 55.030 55.030 53.676 1.354 17742 5295 1 8 . 1 1 81 81 LEU CB C 411 40.335 40.335 41.053 -0.719 17742 5296 1 8 . 1 1 81 81 LEU H H 411 8.435 8.435 8.127 0.308 17742 5297 1 8 . 1 1 82 82 LEU N N 412 119.070 119.070 121.720 -2.650 17742 5298 1 8 . 1 1 82 82 LEU HA H 412 5.013 5.013 4.329 0.684 17742 5299 1 8 . 1 1 82 82 LEU C C 412 175.361 175.361 175.576 -0.215 17742 5300 1 8 . 1 1 82 82 LEU CA C 412 53.212 53.212 53.824 -0.612 17742 5301 1 8 . 1 1 82 82 LEU CB C 412 45.471 45.471 41.279 4.192 17742 5302 1 8 . 1 1 82 82 LEU H H 412 6.751 6.751 7.401 -0.650 17742 5303 1 8 . 1 1 83 83 PHE N N 413 122.184 122.184 124.788 -2.604 17742 5304 1 8 . 1 1 83 83 PHE HA H 413 4.865 4.865 5.454 -0.589 17742 5305 1 8 . 1 1 83 83 PHE C C 413 172.849 172.849 174.737 -1.888 17742 5306 1 8 . 1 1 83 83 PHE CA C 413 55.921 55.921 54.339 1.582 17742 5307 1 8 . 1 1 83 83 PHE CB C 413 44.569 44.569 42.576 1.993 17742 5308 1 8 . 1 1 83 83 PHE H H 413 8.661 8.661 8.898 -0.237 17742 5309 1 8 . 1 1 84 84 ARG N N 414 119.461 119.461 119.799 -0.338 17742 5310 1 8 . 1 1 84 84 ARG HA H 414 5.581 5.581 5.282 0.299 17742 5311 1 8 . 1 1 84 84 ARG C C 414 177.641 177.641 175.030 2.611 17742 5312 1 8 . 1 1 84 84 ARG CA C 414 54.239 54.239 55.604 -1.365 17742 5313 1 8 . 1 1 84 84 ARG CB C 414 36.198 36.198 33.701 2.497 17742 5314 1 8 . 1 1 84 84 ARG H H 414 9.098 9.098 8.811 0.287 17742 5315 1 8 . 1 1 85 85 PHE N N 415 124.274 124.274 128.022 -3.748 17742 5316 1 8 . 1 1 85 85 PHE HA H 415 5.027 5.027 5.076 -0.049 17742 5317 1 8 . 1 1 85 85 PHE C C 415 176.117 176.117 176.088 0.029 17742 5318 1 8 . 1 1 85 85 PHE CA C 415 59.657 59.657 59.412 0.245 17742 5319 1 8 . 1 1 85 85 PHE CB C 415 40.819 40.819 38.114 2.705 17742 5320 1 8 . 1 1 85 85 PHE H H 415 8.928 8.928 9.388 -0.460 17742 5321 1 8 . 1 1 86 86 MET N N 416 121.081 121.081 122.347 -1.266 17742 5322 1 8 . 1 1 86 86 MET HA H 416 4.656 4.656 4.283 0.373 17742 5323 1 8 . 1 1 86 86 MET C C 416 176.444 176.444 176.786 -0.342 17742 5324 1 8 . 1 1 86 86 MET CA C 416 54.681 54.681 58.304 -3.623 17742 5325 1 8 . 1 1 86 86 MET CB C 416 31.698 31.698 33.074 -1.376 17742 5326 1 8 . 1 1 86 86 MET H H 416 8.676 8.676 8.530 0.146 17742 5327 1 8 . 1 1 87 87 LYS N N 417 117.772 117.772 113.762 4.010 17742 5328 1 8 . 1 1 87 87 LYS HA H 417 4.899 4.899 4.738 0.161 17742 5329 1 8 . 1 1 87 87 LYS C C 417 175.621 175.621 175.066 0.555 17742 5330 1 8 . 1 1 87 87 LYS CA C 417 54.522 54.522 54.353 0.169 17742 5331 1 8 . 1 1 87 87 LYS CB C 417 37.905 37.905 35.731 2.174 17742 5332 1 8 . 1 1 87 87 LYS H H 417 7.624 7.624 7.410 0.214 17742 5333 1 8 . 1 1 88 88 THR N N 418 112.426 112.426 110.277 2.149 17742 5334 1 8 . 1 1 88 88 THR HA H 418 4.372 4.372 4.487 -0.115 17742 5335 1 8 . 1 1 88 88 THR CA C 418 59.786 59.786 58.123 1.663 17742 5336 1 8 . 1 1 88 88 THR CB C 418 68.040 68.040 68.971 -0.930 17742 5337 1 8 . 1 1 88 88 THR H H 418 8.787 8.787 8.925 -0.138 17742 5338 1 8 . 1 1 89 89 PRO HA H 419 3.654 3.654 3.050 0.604 17742 5339 1 8 . 1 1 89 89 PRO C C 419 177.412 177.412 178.578 -1.166 17742 5340 1 8 . 1 1 89 89 PRO CA C 419 65.712 65.712 66.567 -0.855 17742 5341 1 8 . 1 1 89 89 PRO CB C 419 31.762 31.762 31.663 0.099 17742 5342 1 8 . 1 1 90 90 ASP N N 420 114.221 114.221 114.006 0.215 17742 5343 1 8 . 1 1 90 90 ASP HA H 420 4.224 4.224 4.280 -0.056 17742 5344 1 8 . 1 1 90 90 ASP C C 420 178.341 178.341 176.886 1.455 17742 5345 1 8 . 1 1 90 90 ASP CA C 420 56.657 56.657 56.528 0.129 17742 5346 1 8 . 1 1 90 90 ASP CB C 420 40.642 40.642 40.647 -0.005 17742 5347 1 8 . 1 1 90 90 ASP H H 420 7.958 7.958 8.415 -0.457 17742 5348 1 8 . 1 1 91 91 GLU N N 421 119.443 119.443 117.104 2.339 17742 5349 1 8 . 1 1 91 91 GLU HA H 421 4.006 4.006 4.059 -0.053 17742 5350 1 8 . 1 1 91 91 GLU C C 421 179.238 179.238 178.998 0.240 17742 5351 1 8 . 1 1 91 91 GLU CA C 421 58.458 58.458 58.111 0.347 17742 5352 1 8 . 1 1 91 91 GLU CB C 421 30.774 30.774 29.869 0.905 17742 5353 1 8 . 1 1 91 91 GLU H H 421 7.628 7.628 7.578 0.050 17742 5354 1 8 . 1 1 92 92 ILE N N 422 120.617 120.617 120.887 -0.270 17742 5355 1 8 . 1 1 92 92 ILE HA H 422 3.589 3.589 3.552 0.037 17742 5356 1 8 . 1 1 92 92 ILE C C 422 178.124 178.124 176.751 1.373 17742 5357 1 8 . 1 1 92 92 ILE CA C 422 63.878 63.878 64.707 -0.828 17742 5358 1 8 . 1 1 92 92 ILE CB C 422 38.142 38.142 37.666 0.476 17742 5359 1 8 . 1 1 92 92 ILE H H 422 7.896 7.896 7.681 0.215 17742 5360 1 8 . 1 1 93 93 MET N N 423 117.857 117.857 116.073 1.784 17742 5361 1 8 . 1 1 93 93 MET HA H 423 4.365 4.365 4.346 0.019 17742 5362 1 8 . 1 1 93 93 MET C C 423 177.009 177.009 177.041 -0.032 17742 5363 1 8 . 1 1 93 93 MET CA C 423 56.527 56.527 56.880 -0.353 17742 5364 1 8 . 1 1 93 93 MET CB C 423 32.617 32.617 31.839 0.778 17742 5365 1 8 . 1 1 93 93 MET H H 423 8.161 8.161 7.850 0.311 17742 5366 1 8 . 1 1 94 94 SER N N 424 114.591 114.591 115.231 -0.640 17742 5367 1 8 . 1 1 94 94 SER HA H 424 4.406 4.406 4.380 0.026 17742 5368 1 8 . 1 1 94 94 SER C C 424 175.262 175.262 175.206 0.056 17742 5369 1 8 . 1 1 94 94 SER CA C 424 59.482 59.482 58.924 0.558 17742 5370 1 8 . 1 1 94 94 SER CB C 424 63.466 63.466 63.539 -0.073 17742 5371 1 8 . 1 1 94 94 SER H H 424 7.744 7.744 7.516 0.228 17742 5372 1 8 . 1 1 95 95 GLY N N 425 109.590 109.590 108.416 1.174 17742 5373 1 8 . 1 1 95 95 GLY C C 425 174.197 174.197 174.283 -0.086 17742 5374 1 8 . 1 1 95 95 GLY CA C 425 45.122 45.122 45.042 0.080 17742 5375 1 8 . 1 1 95 95 GLY H H 425 7.970 7.970 7.570 0.400 17742 5376 1 8 . 1 1 96 96 ARG N N 426 119.792 119.792 118.103 1.689 17742 5377 1 8 . 1 1 96 96 ARG HA H 426 4.567 4.567 4.834 -0.267 17742 5378 1 8 . 1 1 96 96 ARG C C 426 177.866 177.866 177.377 0.489 17742 5379 1 8 . 1 1 96 96 ARG CA C 426 55.757 55.757 55.447 0.310 17742 5380 1 8 . 1 1 96 96 ARG CB C 426 30.059 30.059 31.109 -1.050 17742 5381 1 8 . 1 1 96 96 ARG H H 426 8.144 8.144 7.956 0.188 17742 5382 1 8 . 1 1 97 97 THR N N 427 114.770 114.770 113.574 1.196 17742 5383 1 8 . 1 1 97 97 THR HA H 427 4.221 4.221 4.249 -0.028 17742 5384 1 8 . 1 1 97 97 THR C C 427 175.449 175.449 175.352 0.097 17742 5385 1 8 . 1 1 97 97 THR CA C 427 63.411 63.411 66.111 -2.700 17742 5386 1 8 . 1 1 97 97 THR CB C 427 69.080 69.080 68.346 0.734 17742 5387 1 8 . 1 1 97 97 THR H H 427 8.427 8.427 7.823 0.604 17742 5388 1 8 . 1 1 98 98 ASP N N 428 122.017 122.017 121.943 0.074 17742 5389 1 8 . 1 1 98 98 ASP HA H 428 4.404 4.404 4.289 0.115 17742 5390 1 8 . 1 1 98 98 ASP C C 428 178.042 178.042 178.274 -0.232 17742 5391 1 8 . 1 1 98 98 ASP CA C 428 56.438 56.438 57.262 -0.824 17742 5392 1 8 . 1 1 98 98 ASP CB C 428 40.012 40.012 39.410 0.602 17742 5393 1 8 . 1 1 98 98 ASP H H 428 8.659 8.659 8.791 -0.132 17742 5394 1 8 . 1 1 99 99 ARG N N 429 120.083 120.083 119.161 0.922 17742 5395 1 8 . 1 1 99 99 ARG HA H 429 4.190 4.190 4.133 0.057 17742 5396 1 8 . 1 1 99 99 ARG C C 429 178.236 178.236 178.599 -0.363 17742 5397 1 8 . 1 1 99 99 ARG CA C 429 58.307 58.307 58.965 -0.658 17742 5398 1 8 . 1 1 99 99 ARG CB C 429 30.073 30.073 30.244 -0.171 17742 5399 1 8 . 1 1 99 99 ARG H H 429 8.011 8.011 7.874 0.137 17742 5400 1 8 . 1 1 100 100 LEU N N 430 119.784 119.784 119.900 -0.116 17742 5401 1 8 . 1 1 100 100 LEU HA H 430 4.048 4.048 4.072 -0.024 17742 5402 1 8 . 1 1 100 100 LEU C C 430 178.209 178.209 178.806 -0.597 17742 5403 1 8 . 1 1 100 100 LEU CA C 430 57.535 57.535 57.627 -0.092 17742 5404 1 8 . 1 1 100 100 LEU CB C 430 42.218 42.218 41.915 0.303 17742 5405 1 8 . 1 1 100 100 LEU H H 430 7.667 7.667 7.795 -0.128 17742 5406 1 8 . 1 1 101 101 GLU N N 431 119.434 119.434 118.159 1.275 17742 5407 1 8 . 1 1 101 101 GLU HA H 431 3.962 3.962 4.219 -0.257 17742 5408 1 8 . 1 1 101 101 GLU C C 431 178.773 178.773 178.936 -0.163 17742 5409 1 8 . 1 1 101 101 GLU CA C 431 59.470 59.470 59.141 0.329 17742 5410 1 8 . 1 1 101 101 GLU CB C 431 29.667 29.667 29.521 0.146 17742 5411 1 8 . 1 1 101 101 GLU H H 431 8.339 8.339 8.886 -0.547 17742 5412 1 8 . 1 1 102 102 HIS N N 432 118.026 118.026 117.945 0.081 17742 5413 1 8 . 1 1 102 102 HIS HA H 432 4.463 4.463 4.462 0.001 17742 5414 1 8 . 1 1 102 102 HIS C C 432 177.322 177.322 177.000 0.322 17742 5415 1 8 . 1 1 102 102 HIS CA C 432 58.432 58.432 58.253 0.179 17742 5416 1 8 . 1 1 102 102 HIS CB C 432 29.237 29.237 30.387 -1.150 17742 5417 1 8 . 1 1 102 102 HIS H H 432 7.995 7.995 7.615 0.380 17742 5418 1 8 . 1 1 103 103 LEU N N 433 120.785 120.785 121.575 -0.790 17742 5419 1 8 . 1 1 103 103 LEU HA H 433 3.971 3.971 4.078 -0.107 17742 5420 1 8 . 1 1 103 103 LEU C C 433 179.014 179.014 178.268 0.746 17742 5421 1 8 . 1 1 103 103 LEU CA C 433 57.570 57.570 56.825 0.745 17742 5422 1 8 . 1 1 103 103 LEU CB C 433 41.606 41.606 41.181 0.425 17742 5423 1 8 . 1 1 103 103 LEU H H 433 8.077 8.077 7.854 0.223 17742 5424 1 8 . 1 1 104 104 GLU N N 434 119.107 119.107 119.538 -0.431 17742 5425 1 8 . 1 1 104 104 GLU HA H 434 4.025 4.025 3.952 0.073 17742 5426 1 8 . 1 1 104 104 GLU C C 434 178.187 178.187 178.983 -0.796 17742 5427 1 8 . 1 1 104 104 GLU CA C 434 60.221 60.221 60.297 -0.076 17742 5428 1 8 . 1 1 104 104 GLU CB C 434 30.104 30.104 29.188 0.916 17742 5429 1 8 . 1 1 104 104 GLU H H 434 8.443 8.443 8.802 -0.359 17742 5430 1 8 . 1 1 105 105 SER N N 435 114.129 114.129 111.202 2.927 17742 5431 1 8 . 1 1 105 105 SER HA H 435 4.204 4.204 4.102 0.102 17742 5432 1 8 . 1 1 105 105 SER C C 435 175.924 175.924 175.539 0.385 17742 5433 1 8 . 1 1 105 105 SER CA C 435 61.303 61.303 60.356 0.947 17742 5434 1 8 . 1 1 105 105 SER CB C 435 63.070 63.070 62.867 0.203 17742 5435 1 8 . 1 1 105 105 SER H H 435 8.041 8.041 8.204 -0.163 17742 5436 1 8 . 1 1 106 106 GLN N N 436 120.201 120.201 119.670 0.531 17742 5437 1 8 . 1 1 106 106 GLN HA H 436 4.124 4.124 4.206 -0.082 17742 5438 1 8 . 1 1 106 106 GLN C C 436 178.242 178.242 178.111 0.131 17742 5439 1 8 . 1 1 106 106 GLN CA C 436 58.242 58.242 57.732 0.510 17742 5440 1 8 . 1 1 106 106 GLN CB C 436 29.001 29.001 29.230 -0.229 17742 5441 1 8 . 1 1 106 106 GLN H H 436 7.823 7.823 7.537 0.286 17742 5442 1 8 . 1 1 107 107 VAL N N 437 117.503 117.503 120.389 -2.886 17742 5443 1 8 . 1 1 107 107 VAL HA H 437 3.955 3.955 4.220 -0.265 17742 5444 1 8 . 1 1 107 107 VAL C C 437 177.462 177.462 177.178 0.284 17742 5445 1 8 . 1 1 107 107 VAL CA C 437 64.414 64.414 65.365 -0.951 17742 5446 1 8 . 1 1 107 107 VAL CB C 437 32.192 32.192 31.683 0.509 17742 5447 1 8 . 1 1 107 107 VAL H H 437 7.711 7.711 8.442 -0.731 17742 5448 1 8 . 1 1 108 108 LEU HA H 438 4.072 4.072 4.274 -0.202 17742 5449 1 8 . 1 1 108 108 LEU C C 438 177.614 177.614 176.801 0.813 17742 5450 1 8 . 1 1 108 108 LEU CA C 438 56.521 56.521 55.369 1.152 17742 5451 1 8 . 1 1 108 108 LEU CB C 438 42.149 42.149 41.224 0.924 17742 5452 1 8 . 1 1 109 109 ASP N N 439 118.500 118.500 117.599 0.901 17742 5453 1 8 . 1 1 109 109 ASP HA H 439 4.685 4.685 4.708 -0.023 17742 5454 1 8 . 1 1 109 109 ASP C C 439 176.372 176.372 177.167 -0.795 17742 5455 1 8 . 1 1 109 109 ASP CA C 439 54.653 54.653 54.286 0.367 17742 5456 1 8 . 1 1 109 109 ASP CB C 439 41.425 41.425 42.288 -0.864 17742 5457 1 8 . 1 1 109 109 ASP H H 439 7.872 7.872 7.880 -0.008 17742 5458 1 8 . 1 1 110 110 GLU N N 440 120.701 120.701 119.157 1.544 17742 5459 1 8 . 1 1 110 110 GLU HA H 440 4.188 4.188 4.087 0.101 17742 5460 1 8 . 1 1 110 110 GLU C C 440 176.739 176.739 177.395 -0.656 17742 5461 1 8 . 1 1 110 110 GLU CA C 440 57.310 57.310 58.696 -1.386 17742 5462 1 8 . 1 1 110 110 GLU CB C 440 30.091 30.091 30.056 0.035 17742 5463 1 8 . 1 1 110 110 GLU H H 440 7.929 7.929 8.523 -0.594 17742 5464 1 8 . 1 1 111 111 GLN N N 441 120.829 120.829 117.812 3.017 17742 5465 1 8 . 1 1 111 111 GLN HA H 441 4.341 4.341 4.408 -0.067 17742 5466 1 8 . 1 1 111 111 GLN C C 441 176.214 176.214 176.140 0.074 17742 5467 1 8 . 1 1 111 111 GLN CA C 441 56.103 56.103 54.994 1.109 17742 5468 1 8 . 1 1 111 111 GLN CB C 441 29.607 29.607 29.277 0.330 17742 5469 1 8 . 1 1 111 111 GLN H H 441 8.434 8.434 8.357 0.077 17742 5470 1 8 . 1 1 112 112 THR N N 442 114.861 114.861 112.716 2.145 17742 5471 1 8 . 1 1 112 112 THR HA H 442 4.258 4.258 4.274 -0.016 17742 5472 1 8 . 1 1 112 112 THR C C 442 174.095 174.095 175.959 -1.864 17742 5473 1 8 . 1 1 112 112 THR CA C 442 62.140 62.140 63.197 -1.057 17742 5474 1 8 . 1 1 112 112 THR CB C 442 69.870 69.870 69.141 0.729 17742 5475 1 8 . 1 1 112 112 THR H H 442 8.038 8.038 8.229 -0.191 17742 5476 1 8 . 1 1 113 113 TYR N N 443 122.709 122.709 119.068 3.641 17742 5477 1 8 . 1 1 113 113 TYR HA H 443 4.552 4.552 4.578 -0.026 17742 5478 1 8 . 1 1 113 113 TYR C C 443 175.303 175.303 175.216 0.087 17742 5479 1 8 . 1 1 113 113 TYR CA C 443 57.921 57.921 56.414 1.507 17742 5480 1 8 . 1 1 113 113 TYR CB C 443 38.982 38.982 36.615 2.367 17742 5481 1 8 . 1 1 113 113 TYR H H 443 8.171 8.171 8.445 -0.274 17742 5482 1 8 . 1 1 114 114 GLN N N 444 122.768 122.768 117.426 5.342 17742 5483 1 8 . 1 1 114 114 GLN HA H 444 4.284 4.284 3.808 0.476 17742 5484 1 8 . 1 1 114 114 GLN C C 444 175.372 175.372 174.476 0.896 17742 5485 1 8 . 1 1 114 114 GLN CA C 444 55.543 55.543 56.227 -0.684 17742 5486 1 8 . 1 1 114 114 GLN CB C 444 29.894 29.894 27.270 2.624 17742 5487 1 8 . 1 1 114 114 GLN H H 444 8.202 8.202 8.113 0.089 17742 5488 1 8 . 1 1 115 115 GLU N N 445 122.370 122.370 118.930 3.440 17742 5489 1 8 . 1 1 115 115 GLU HA H 445 4.225 4.225 3.891 0.334 17742 5490 1 8 . 1 1 115 115 GLU C C 445 176.058 176.058 176.144 -0.086 17742 5491 1 8 . 1 1 115 115 GLU CA C 445 56.612 56.612 55.844 0.768 17742 5492 1 8 . 1 1 115 115 GLU CB C 445 30.517 30.517 29.517 1.000 17742 5493 1 8 . 1 1 115 115 GLU H H 445 8.371 8.371 7.935 0.436 17742 5494 1 8 . 1 1 116 116 ASP N N 446 121.090 121.090 126.051 -4.961 17742 5495 1 8 . 1 1 116 116 ASP HA H 446 4.595 4.595 4.489 0.106 17742 5496 1 8 . 1 1 116 116 ASP C C 446 175.872 175.872 175.425 0.447 17742 5497 1 8 . 1 1 116 116 ASP CA C 446 54.382 54.382 55.820 -1.438 17742 5498 1 8 . 1 1 116 116 ASP CB C 446 41.402 41.402 41.672 -0.270 17742 5499 1 8 . 1 1 116 116 ASP H H 446 8.336 8.336 8.632 -0.296 17742 5500 1 8 . 1 1 117 117 GLU N N 447 121.977 121.977 118.407 3.570 17742 5501 1 8 . 1 1 117 117 GLU HA H 447 4.575 4.575 4.630 -0.055 17742 5502 1 8 . 1 1 117 117 GLU CA C 447 54.442 54.442 52.975 1.467 17742 5503 1 8 . 1 1 117 117 GLU CB C 447 30.254 30.254 31.097 -0.843 17742 5504 1 8 . 1 1 117 117 GLU H H 447 8.194 8.194 7.956 0.238 17742 5505 1 8 . 1 1 118 118 PRO HA H 448 4.461 4.461 4.659 -0.198 17742 5506 1 8 . 1 1 118 118 PRO C C 448 177.160 177.160 176.203 0.957 17742 5507 1 8 . 1 1 118 118 PRO CA C 448 63.371 63.371 63.291 0.080 17742 5508 1 8 . 1 1 118 118 PRO CB C 448 32.302 32.302 31.473 0.829 17742 5509 1 8 . 1 1 119 119 THR N N 449 114.788 114.788 118.930 -4.142 17742 5510 1 8 . 1 1 119 119 THR HA H 449 4.292 4.292 4.628 -0.336 17742 5511 1 8 . 1 1 119 119 THR C C 449 174.664 174.664 173.434 1.230 17742 5512 1 8 . 1 1 119 119 THR CA C 449 62.117 62.117 60.973 1.144 17742 5513 1 8 . 1 1 119 119 THR CB C 449 69.861 69.861 70.516 -0.655 17742 5514 1 8 . 1 1 119 119 THR H H 449 8.235 8.235 8.455 -0.220 17742 5515 1 8 . 1 1 120 120 ILE N N 450 123.074 123.074 124.364 -1.290 17742 5516 1 8 . 1 1 120 120 ILE HA H 450 4.169 4.169 4.377 -0.208 17742 5517 1 8 . 1 1 120 120 ILE C C 450 175.683 175.683 176.000 -0.317 17742 5518 1 8 . 1 1 120 120 ILE CA C 450 60.987 60.987 60.205 0.782 17742 5519 1 8 . 1 1 120 120 ILE CB C 450 38.983 38.983 37.283 1.700 17742 5520 1 8 . 1 1 120 120 ILE H H 450 8.043 8.043 8.662 -0.619 17742 5521 1 8 . 1 1 121 121 ALA N N 451 128.011 128.011 132.924 -4.913 17742 5522 1 8 . 1 1 121 121 ALA HA H 451 4.332 4.332 4.286 0.046 17742 5523 1 8 . 1 1 121 121 ALA C C 451 177.333 177.333 176.724 0.609 17742 5524 1 8 . 1 1 121 121 ALA CA C 451 52.364 52.364 52.781 -0.417 17742 5525 1 8 . 1 1 121 121 ALA CB C 451 19.534 19.534 19.652 -0.118 17742 5526 1 8 . 1 1 121 121 ALA H H 451 8.277 8.277 8.834 -0.556 17742 5527 1 8 . 1 1 122 122 SER N N 452 116.575 116.575 111.322 5.253 17742 5528 1 8 . 1 1 122 122 SER HA H 452 4.672 4.672 4.453 0.219 17742 5529 1 8 . 1 1 122 122 SER CA C 452 56.230 56.230 56.859 -0.629 17742 5530 1 8 . 1 1 122 122 SER CB C 452 63.460 63.460 62.707 0.753 17742 5531 1 8 . 1 1 122 122 SER H H 452 8.161 8.161 7.330 0.831 17742 5532 1 8 . 1 1 123 123 PRO HA H 453 4.395 4.395 4.307 0.088 17742 5533 1 8 . 1 1 123 123 PRO C C 453 176.993 176.993 176.084 0.909 17742 5534 1 8 . 1 1 123 123 PRO CA C 453 63.303 63.303 63.125 0.178 17742 5535 1 8 . 1 1 123 123 PRO CB C 453 32.149 32.149 30.584 1.565 17742 5536 1 8 . 1 1 124 124 VAL N N 454 119.733 119.733 122.417 -2.684 17742 5537 1 8 . 1 1 124 124 VAL HA H 454 4.010 4.010 3.748 0.262 17742 5538 1 8 . 1 1 124 124 VAL CA C 454 62.674 62.674 62.461 0.213 17742 5539 1 8 . 1 1 124 124 VAL CB C 454 32.669 32.669 31.869 0.800 17742 5540 1 8 . 1 1 124 124 VAL H H 454 8.058 8.058 7.632 0.426 17742 5541 1 8 . 1 1 125 125 GLY N N 455 111.901 111.901 109.453 2.448 17742 5542 1 8 . 1 1 125 125 GLY CA C 455 45.152 45.152 44.873 0.279 17742 5543 1 8 . 1 1 125 125 GLY H H 455 8.255 8.255 7.671 0.584 17742 5544 1 8 . 1 1 126 126 TRP N N 456 122.405 122.405 121.447 0.958 17742 5545 1 8 . 1 1 126 126 TRP HA H 456 4.929 4.929 4.723 0.206 17742 5546 1 8 . 1 1 126 126 TRP CA C 456 55.029 55.029 54.410 0.619 17742 5547 1 8 . 1 1 126 126 TRP CB C 456 29.383 29.383 29.772 -0.389 17742 5548 1 8 . 1 1 126 126 TRP H H 456 7.906 7.906 7.883 0.023 17742 5549 1 8 . 1 1 127 127 PRO HA H 457 4.429 4.429 4.407 0.022 17742 5550 1 8 . 1 1 127 127 PRO C C 457 175.951 175.951 176.045 -0.094 17742 5551 1 8 . 1 1 127 127 PRO CA C 457 63.558 63.558 63.472 0.086 17742 5552 1 8 . 1 1 127 127 PRO CB C 457 31.932 31.932 31.186 0.746 17742 5553 1 9 . 1 1 5 5 ARG N N 335 123.607 123.607 116.428 7.179 17742 5554 1 9 . 1 1 5 5 ARG HA H 335 4.382 4.382 4.693 -0.311 17742 5555 1 9 . 1 1 5 5 ARG CA C 335 56.926 56.926 55.607 1.319 17742 5556 1 9 . 1 1 5 5 ARG H H 335 9.161 9.161 8.461 0.700 17742 5557 1 9 . 1 1 6 6 LEU N N 336 122.412 122.412 120.111 2.301 17742 5558 1 9 . 1 1 6 6 LEU CB C 336 42.172 42.172 43.676 -1.504 17742 5559 1 9 . 1 1 6 6 LEU H H 336 8.775 8.775 8.327 0.448 17742 5560 1 9 . 1 1 7 7 LEU HA H 337 3.669 3.669 4.519 -0.850 17742 5561 1 9 . 1 1 7 7 LEU CA C 337 59.053 59.053 57.981 1.072 17742 5562 1 9 . 1 1 7 7 LEU CB C 337 40.447 40.447 42.696 -2.248 17742 5563 1 9 . 1 1 8 8 TRP N N 338 114.197 114.197 119.102 -4.905 17742 5564 1 9 . 1 1 8 8 TRP HA H 338 3.747 3.747 4.612 -0.865 17742 5565 1 9 . 1 1 8 8 TRP CA C 338 60.071 60.071 59.892 0.179 17742 5566 1 9 . 1 1 8 8 TRP CB C 338 28.481 28.481 28.235 0.246 17742 5567 1 9 . 1 1 8 8 TRP H H 338 7.595 7.595 7.508 0.087 17742 5568 1 9 . 1 1 9 9 ASP HA H 339 3.648 3.648 4.563 -0.915 17742 5569 1 9 . 1 1 9 9 ASP C C 339 177.491 177.491 177.422 0.069 17742 5570 1 9 . 1 1 9 9 ASP CA C 339 56.197 56.197 55.954 0.243 17742 5571 1 9 . 1 1 9 9 ASP CB C 339 41.702 41.702 39.864 1.838 17742 5572 1 9 . 1 1 10 10 TYR N N 340 120.786 120.786 121.958 -1.172 17742 5573 1 9 . 1 1 10 10 TYR HA H 340 3.851 3.851 4.138 -0.287 17742 5574 1 9 . 1 1 10 10 TYR C C 340 177.016 177.016 177.380 -0.364 17742 5575 1 9 . 1 1 10 10 TYR CA C 340 61.921 61.921 61.187 0.734 17742 5576 1 9 . 1 1 10 10 TYR CB C 340 39.202 39.202 38.659 0.543 17742 5577 1 9 . 1 1 10 10 TYR H H 340 7.929 7.929 7.350 0.579 17742 5578 1 9 . 1 1 11 11 VAL N N 341 114.828 114.828 119.528 -4.700 17742 5579 1 9 . 1 1 11 11 VAL HA H 341 2.982 2.982 3.537 -0.555 17742 5580 1 9 . 1 1 11 11 VAL C C 341 176.795 176.795 177.075 -0.280 17742 5581 1 9 . 1 1 11 11 VAL CA C 341 66.855 66.855 65.623 1.232 17742 5582 1 9 . 1 1 11 11 VAL CB C 341 31.152 31.152 31.806 -0.654 17742 5583 1 9 . 1 1 11 11 VAL H H 341 8.291 8.291 8.420 -0.129 17742 5584 1 9 . 1 1 12 12 TYR N N 342 119.177 119.177 119.822 -0.645 17742 5585 1 9 . 1 1 12 12 TYR HA H 342 3.617 3.617 3.870 -0.253 17742 5586 1 9 . 1 1 12 12 TYR C C 342 178.765 178.765 177.017 1.748 17742 5587 1 9 . 1 1 12 12 TYR CA C 342 62.960 62.960 61.854 1.106 17742 5588 1 9 . 1 1 12 12 TYR CB C 342 38.232 38.232 38.258 -0.026 17742 5589 1 9 . 1 1 12 12 TYR H H 342 7.712 7.712 8.002 -0.290 17742 5590 1 9 . 1 1 13 13 GLN N N 343 118.873 118.873 117.167 1.706 17742 5591 1 9 . 1 1 13 13 GLN HA H 343 3.833 3.833 4.045 -0.212 17742 5592 1 9 . 1 1 13 13 GLN C C 343 179.917 179.917 177.346 2.571 17742 5593 1 9 . 1 1 13 13 GLN CA C 343 58.821 58.821 57.559 1.262 17742 5594 1 9 . 1 1 13 13 GLN CB C 343 27.649 27.649 28.069 -0.420 17742 5595 1 9 . 1 1 13 13 GLN H H 343 8.076 8.076 7.442 0.634 17742 5596 1 9 . 1 1 14 14 LEU N N 344 121.381 121.381 119.530 1.851 17742 5597 1 9 . 1 1 14 14 LEU HA H 344 3.611 3.611 3.763 -0.152 17742 5598 1 9 . 1 1 14 14 LEU C C 344 179.861 179.861 179.353 0.508 17742 5599 1 9 . 1 1 14 14 LEU CA C 344 58.121 58.121 57.125 0.996 17742 5600 1 9 . 1 1 14 14 LEU CB C 344 41.382 41.382 41.406 -0.024 17742 5601 1 9 . 1 1 14 14 LEU H H 344 7.772 7.772 7.364 0.408 17742 5602 1 9 . 1 1 15 15 LEU N N 345 116.801 116.801 116.519 0.282 17742 5603 1 9 . 1 1 15 15 LEU HA H 345 3.513 3.513 3.907 -0.394 17742 5604 1 9 . 1 1 15 15 LEU C C 345 178.221 178.221 177.442 0.779 17742 5605 1 9 . 1 1 15 15 LEU CA C 345 56.568 56.568 56.809 -0.241 17742 5606 1 9 . 1 1 15 15 LEU CB C 345 41.431 41.431 41.310 0.120 17742 5607 1 9 . 1 1 15 15 LEU H H 345 7.546 7.546 7.497 0.049 17742 5608 1 9 . 1 1 16 16 SER N N 346 112.511 112.511 109.021 3.490 17742 5609 1 9 . 1 1 16 16 SER HA H 346 4.542 4.542 4.574 -0.032 17742 5610 1 9 . 1 1 16 16 SER C C 346 172.510 172.510 174.037 -1.527 17742 5611 1 9 . 1 1 16 16 SER CA C 346 58.891 58.891 57.710 1.181 17742 5612 1 9 . 1 1 16 16 SER CB C 346 63.993 63.993 63.704 0.289 17742 5613 1 9 . 1 1 16 16 SER H H 346 7.277 7.277 7.298 -0.021 17742 5614 1 9 . 1 1 17 17 ASP N N 347 122.234 122.234 121.529 0.705 17742 5615 1 9 . 1 1 17 17 ASP HA H 347 4.969 4.969 4.919 0.050 17742 5616 1 9 . 1 1 17 17 ASP C C 347 175.703 175.703 176.619 -0.916 17742 5617 1 9 . 1 1 17 17 ASP CA C 347 52.761 52.761 52.832 -0.071 17742 5618 1 9 . 1 1 17 17 ASP CB C 347 43.427 43.427 43.612 -0.185 17742 5619 1 9 . 1 1 17 17 ASP H H 347 7.353 7.353 7.653 -0.300 17742 5620 1 9 . 1 1 18 18 SER N N 348 120.139 120.139 120.619 -0.480 17742 5621 1 9 . 1 1 18 18 SER HA H 348 4.371 4.371 4.330 0.041 17742 5622 1 9 . 1 1 18 18 SER C C 348 176.259 176.259 176.204 0.055 17742 5623 1 9 . 1 1 18 18 SER CA C 348 61.131 61.131 60.053 1.078 17742 5624 1 9 . 1 1 18 18 SER CB C 348 63.177 63.177 63.289 -0.112 17742 5625 1 9 . 1 1 18 18 SER H H 348 8.691 8.691 8.855 -0.164 17742 5626 1 9 . 1 1 19 19 ARG N N 349 122.716 122.716 122.925 -0.209 17742 5627 1 9 . 1 1 19 19 ARG HA H 349 4.114 4.114 3.902 0.212 17742 5628 1 9 . 1 1 19 19 ARG C C 349 178.154 178.154 177.829 0.325 17742 5629 1 9 . 1 1 19 19 ARG CA C 349 58.531 58.531 58.882 -0.351 17742 5630 1 9 . 1 1 19 19 ARG CB C 349 29.794 29.794 29.770 0.024 17742 5631 1 9 . 1 1 19 19 ARG H H 349 8.586 8.586 7.931 0.655 17742 5632 1 9 . 1 1 20 20 TYR N N 350 116.201 116.201 117.009 -0.808 17742 5633 1 9 . 1 1 20 20 TYR HA H 350 4.883 4.883 4.801 0.082 17742 5634 1 9 . 1 1 20 20 TYR C C 350 177.029 177.029 176.133 0.896 17742 5635 1 9 . 1 1 20 20 TYR CA C 350 58.741 58.741 56.394 2.347 17742 5636 1 9 . 1 1 20 20 TYR CB C 350 37.642 37.642 36.158 1.484 17742 5637 1 9 . 1 1 20 20 TYR H H 350 8.291 8.291 7.437 0.854 17742 5638 1 9 . 1 1 21 21 GLU N N 351 120.803 120.803 120.949 -0.146 17742 5639 1 9 . 1 1 21 21 GLU HA H 351 4.466 4.466 4.144 0.322 17742 5640 1 9 . 1 1 21 21 GLU C C 351 176.324 176.324 177.193 -0.869 17742 5641 1 9 . 1 1 21 21 GLU CA C 351 59.132 59.132 59.090 0.042 17742 5642 1 9 . 1 1 21 21 GLU CB C 351 29.864 29.864 28.870 0.994 17742 5643 1 9 . 1 1 21 21 GLU H H 351 7.513 7.513 7.814 -0.301 17742 5644 1 9 . 1 1 22 22 ASN N N 352 114.531 114.531 115.168 -0.637 17742 5645 1 9 . 1 1 22 22 ASN HA H 352 4.492 4.492 4.597 -0.105 17742 5646 1 9 . 1 1 22 22 ASN C C 352 174.497 174.497 175.493 -0.996 17742 5647 1 9 . 1 1 22 22 ASN CA C 352 54.122 54.122 53.565 0.557 17742 5648 1 9 . 1 1 22 22 ASN CB C 352 36.935 36.935 39.063 -2.128 17742 5649 1 9 . 1 1 22 22 ASN H H 352 8.649 8.649 8.028 0.621 17742 5650 1 9 . 1 1 23 23 PHE N N 353 115.501 115.501 116.395 -0.894 17742 5651 1 9 . 1 1 23 23 PHE HA H 353 4.751 4.751 4.620 0.131 17742 5652 1 9 . 1 1 23 23 PHE C C 353 176.442 176.442 175.108 1.334 17742 5653 1 9 . 1 1 23 23 PHE CB C 353 41.502 41.502 41.957 -0.455 17742 5654 1 9 . 1 1 23 23 PHE H H 353 8.555 8.555 7.953 0.602 17742 5655 1 9 . 1 1 24 24 ILE N N 354 120.734 120.734 118.022 2.712 17742 5656 1 9 . 1 1 24 24 ILE HA H 354 5.059 5.059 5.022 0.037 17742 5657 1 9 . 1 1 24 24 ILE C C 354 179.332 179.332 173.205 6.127 17742 5658 1 9 . 1 1 24 24 ILE CA C 354 59.831 59.831 60.452 -0.621 17742 5659 1 9 . 1 1 24 24 ILE CB C 354 40.623 40.623 41.874 -1.251 17742 5660 1 9 . 1 1 24 24 ILE H H 354 8.428 8.428 8.780 -0.352 17742 5661 1 9 . 1 1 25 25 ARG N N 355 121.187 121.187 122.994 -1.807 17742 5662 1 9 . 1 1 25 25 ARG HA H 355 4.904 4.904 4.857 0.047 17742 5663 1 9 . 1 1 25 25 ARG C C 355 175.152 175.152 174.344 0.808 17742 5664 1 9 . 1 1 25 25 ARG CA C 355 54.529 54.529 54.421 0.108 17742 5665 1 9 . 1 1 25 25 ARG CB C 355 33.599 33.599 33.372 0.227 17742 5666 1 9 . 1 1 25 25 ARG H H 355 8.671 8.671 8.917 -0.246 17742 5667 1 9 . 1 1 26 26 TRP N N 356 122.024 122.024 123.594 -1.570 17742 5668 1 9 . 1 1 26 26 TRP HA H 356 4.884 4.884 4.722 0.162 17742 5669 1 9 . 1 1 26 26 TRP C C 356 176.642 176.642 176.912 -0.270 17742 5670 1 9 . 1 1 26 26 TRP CA C 356 57.960 57.960 57.963 -0.003 17742 5671 1 9 . 1 1 26 26 TRP CB C 356 30.634 30.634 29.351 1.283 17742 5672 1 9 . 1 1 26 26 TRP H H 356 9.159 9.159 8.981 0.178 17742 5673 1 9 . 1 1 27 27 GLU N N 357 125.331 125.331 125.362 -0.031 17742 5674 1 9 . 1 1 27 27 GLU HA H 357 4.681 4.681 4.374 0.307 17742 5675 1 9 . 1 1 27 27 GLU C C 357 176.775 176.775 176.326 0.449 17742 5676 1 9 . 1 1 27 27 GLU CA C 357 56.990 56.990 58.204 -1.214 17742 5677 1 9 . 1 1 27 27 GLU CB C 357 31.579 31.579 30.784 0.795 17742 5678 1 9 . 1 1 27 27 GLU H H 357 9.504 9.504 8.578 0.926 17742 5679 1 9 . 1 1 28 28 ASP N N 358 116.213 116.213 118.806 -2.593 17742 5680 1 9 . 1 1 28 28 ASP HA H 358 4.771 4.771 4.876 -0.105 17742 5681 1 9 . 1 1 28 28 ASP C C 358 176.167 176.167 175.446 0.721 17742 5682 1 9 . 1 1 28 28 ASP CA C 358 53.541 53.541 53.628 -0.087 17742 5683 1 9 . 1 1 28 28 ASP CB C 358 41.932 41.932 42.078 -0.146 17742 5684 1 9 . 1 1 28 28 ASP H H 358 7.846 7.846 8.283 -0.437 17742 5685 1 9 . 1 1 29 29 LYS N N 359 127.762 127.762 125.724 2.038 17742 5686 1 9 . 1 1 29 29 LYS HA H 359 3.157 3.157 3.351 -0.194 17742 5687 1 9 . 1 1 29 29 LYS C C 359 178.776 178.776 177.830 0.946 17742 5688 1 9 . 1 1 29 29 LYS CA C 359 60.229 60.229 59.034 1.195 17742 5689 1 9 . 1 1 29 29 LYS CB C 359 32.734 32.734 32.137 0.597 17742 5690 1 9 . 1 1 29 29 LYS H H 359 9.216 9.216 8.524 0.692 17742 5691 1 9 . 1 1 30 30 GLU N N 360 119.601 119.601 118.374 1.227 17742 5692 1 9 . 1 1 30 30 GLU HA H 360 3.925 3.925 4.009 -0.084 17742 5693 1 9 . 1 1 30 30 GLU C C 360 178.684 178.684 178.675 0.009 17742 5694 1 9 . 1 1 30 30 GLU CA C 360 59.570 59.570 58.858 0.712 17742 5695 1 9 . 1 1 30 30 GLU CB C 360 29.177 29.177 29.452 -0.275 17742 5696 1 9 . 1 1 30 30 GLU H H 360 8.340 8.340 8.351 -0.011 17742 5697 1 9 . 1 1 31 31 SER N N 361 113.301 113.301 113.907 -0.606 17742 5698 1 9 . 1 1 31 31 SER HA H 361 4.494 4.494 4.321 0.173 17742 5699 1 9 . 1 1 31 31 SER C C 361 172.357 172.357 173.790 -1.433 17742 5700 1 9 . 1 1 31 31 SER CA C 361 58.807 58.807 60.603 -1.796 17742 5701 1 9 . 1 1 31 31 SER CB C 361 63.768 63.768 63.445 0.323 17742 5702 1 9 . 1 1 31 31 SER H H 361 7.463 7.463 8.319 -0.856 17742 5703 1 9 . 1 1 32 32 LYS N N 362 115.170 115.170 113.721 1.449 17742 5704 1 9 . 1 1 32 32 LYS HA H 362 3.910 3.910 4.218 -0.308 17742 5705 1 9 . 1 1 32 32 LYS C C 362 175.500 175.500 175.419 0.081 17742 5706 1 9 . 1 1 32 32 LYS CA C 362 57.630 57.630 57.145 0.485 17742 5707 1 9 . 1 1 32 32 LYS CB C 362 29.801 29.801 29.989 -0.188 17742 5708 1 9 . 1 1 32 32 LYS H H 362 7.752 7.752 7.285 0.467 17742 5709 1 9 . 1 1 33 33 ILE N N 363 118.274 118.274 120.820 -2.546 17742 5710 1 9 . 1 1 33 33 ILE HA H 363 5.375 5.375 4.923 0.452 17742 5711 1 9 . 1 1 33 33 ILE C C 363 177.068 177.068 175.727 1.341 17742 5712 1 9 . 1 1 33 33 ILE CA C 363 60.428 60.428 60.529 -0.101 17742 5713 1 9 . 1 1 33 33 ILE CB C 363 40.206 40.206 37.963 2.243 17742 5714 1 9 . 1 1 33 33 ILE H H 363 8.262 8.262 8.105 0.157 17742 5715 1 9 . 1 1 34 34 PHE N N 364 128.285 128.285 126.523 1.762 17742 5716 1 9 . 1 1 34 34 PHE HA H 364 5.566 5.566 5.287 0.279 17742 5717 1 9 . 1 1 34 34 PHE C C 364 179.560 179.560 172.984 6.576 17742 5718 1 9 . 1 1 34 34 PHE CA C 364 55.080 55.080 55.295 -0.215 17742 5719 1 9 . 1 1 34 34 PHE CB C 364 44.097 44.097 42.675 1.421 17742 5720 1 9 . 1 1 34 34 PHE H H 364 9.936 9.936 9.172 0.764 17742 5721 1 9 . 1 1 35 35 ARG N N 365 120.953 120.953 123.433 -2.480 17742 5722 1 9 . 1 1 35 35 ARG HA H 365 5.484 5.484 4.566 0.918 17742 5723 1 9 . 1 1 35 35 ARG C C 365 176.522 176.522 174.565 1.957 17742 5724 1 9 . 1 1 35 35 ARG CA C 365 53.584 53.584 53.613 -0.029 17742 5725 1 9 . 1 1 35 35 ARG CB C 365 36.439 36.439 33.673 2.766 17742 5726 1 9 . 1 1 35 35 ARG H H 365 9.430 9.430 9.028 0.402 17742 5727 1 9 . 1 1 36 36 ILE N N 366 125.455 125.455 127.724 -2.269 17742 5728 1 9 . 1 1 36 36 ILE HA H 366 4.201 4.201 3.963 0.238 17742 5729 1 9 . 1 1 36 36 ILE C C 366 173.923 173.923 174.775 -0.852 17742 5730 1 9 . 1 1 36 36 ILE CA C 366 63.110 63.110 62.610 0.500 17742 5731 1 9 . 1 1 36 36 ILE CB C 366 37.964 37.964 37.336 0.628 17742 5732 1 9 . 1 1 36 36 ILE H H 366 8.639 8.639 7.925 0.714 17742 5733 1 9 . 1 1 37 37 VAL N N 367 129.251 129.251 127.343 1.908 17742 5734 1 9 . 1 1 37 37 VAL HA H 367 3.674 3.674 3.937 -0.263 17742 5735 1 9 . 1 1 37 37 VAL C C 367 175.948 175.948 176.246 -0.298 17742 5736 1 9 . 1 1 37 37 VAL CA C 367 64.171 64.171 64.177 -0.006 17742 5737 1 9 . 1 1 37 37 VAL CB C 367 32.870 32.870 32.714 0.156 17742 5738 1 9 . 1 1 37 37 VAL H H 367 7.839 7.839 8.482 -0.643 17742 5739 1 9 . 1 1 38 38 ASP N N 368 114.991 114.991 119.240 -4.249 17742 5740 1 9 . 1 1 38 38 ASP HA H 368 5.213 5.213 4.995 0.218 17742 5741 1 9 . 1 1 38 38 ASP CA C 368 50.242 50.242 50.634 -0.392 17742 5742 1 9 . 1 1 38 38 ASP CB C 368 42.169 42.169 42.200 -0.031 17742 5743 1 9 . 1 1 38 38 ASP H H 368 7.279 7.279 7.991 -0.712 17742 5744 1 9 . 1 1 39 39 PRO HA H 369 3.794 3.794 4.379 -0.585 17742 5745 1 9 . 1 1 39 39 PRO C C 369 178.037 178.037 178.219 -0.182 17742 5746 1 9 . 1 1 39 39 PRO CA C 369 65.619 65.619 65.587 0.032 17742 5747 1 9 . 1 1 39 39 PRO CB C 369 31.057 31.057 31.951 -0.895 17742 5748 1 9 . 1 1 40 40 ASN N N 370 115.439 115.439 115.966 -0.527 17742 5749 1 9 . 1 1 40 40 ASN HA H 370 4.596 4.596 4.668 -0.072 17742 5750 1 9 . 1 1 40 40 ASN C C 370 178.570 178.570 177.837 0.733 17742 5751 1 9 . 1 1 40 40 ASN CA C 370 56.501 56.501 56.505 -0.005 17742 5752 1 9 . 1 1 40 40 ASN CB C 370 38.012 38.012 38.300 -0.288 17742 5753 1 9 . 1 1 40 40 ASN H H 370 8.121 8.121 8.538 -0.417 17742 5754 1 9 . 1 1 41 41 GLY N N 371 111.317 111.317 109.040 2.277 17742 5755 1 9 . 1 1 41 41 GLY C C 371 176.090 176.090 176.774 -0.684 17742 5756 1 9 . 1 1 41 41 GLY CA C 371 47.932 47.932 47.168 0.764 17742 5757 1 9 . 1 1 41 41 GLY H H 371 8.622 8.622 9.040 -0.418 17742 5758 1 9 . 1 1 42 42 LEU N N 372 122.892 122.892 123.605 -0.713 17742 5759 1 9 . 1 1 42 42 LEU HA H 372 4.031 4.031 4.319 -0.288 17742 5760 1 9 . 1 1 42 42 LEU C C 372 177.766 177.766 178.875 -1.109 17742 5761 1 9 . 1 1 42 42 LEU CA C 372 57.830 57.830 57.810 0.020 17742 5762 1 9 . 1 1 42 42 LEU CB C 372 42.132 42.132 41.328 0.804 17742 5763 1 9 . 1 1 42 42 LEU H H 372 8.881 8.881 8.709 0.172 17742 5764 1 9 . 1 1 43 43 ALA N N 373 120.112 120.112 121.670 -1.558 17742 5765 1 9 . 1 1 43 43 ALA HA H 373 4.458 4.458 4.206 0.252 17742 5766 1 9 . 1 1 43 43 ALA C C 373 179.093 179.093 180.040 -0.947 17742 5767 1 9 . 1 1 43 43 ALA CA C 373 55.451 55.451 55.125 0.326 17742 5768 1 9 . 1 1 43 43 ALA CB C 373 18.324 18.324 18.567 -0.243 17742 5769 1 9 . 1 1 43 43 ALA H H 373 8.072 8.072 8.476 -0.404 17742 5770 1 9 . 1 1 44 44 ARG N N 374 117.916 117.916 118.820 -0.904 17742 5771 1 9 . 1 1 44 44 ARG HA H 374 4.093 4.093 4.138 -0.045 17742 5772 1 9 . 1 1 44 44 ARG C C 374 179.473 179.473 179.096 0.377 17742 5773 1 9 . 1 1 44 44 ARG CA C 374 59.372 59.372 58.525 0.847 17742 5774 1 9 . 1 1 44 44 ARG CB C 374 30.114 30.114 29.718 0.396 17742 5775 1 9 . 1 1 44 44 ARG H H 374 7.769 7.769 8.142 -0.373 17742 5776 1 9 . 1 1 45 45 LEU N N 375 121.489 121.489 120.311 1.178 17742 5777 1 9 . 1 1 45 45 LEU HA H 375 4.007 4.007 4.094 -0.087 17742 5778 1 9 . 1 1 45 45 LEU C C 375 180.049 180.049 179.407 0.642 17742 5779 1 9 . 1 1 45 45 LEU CA C 375 58.390 58.390 58.155 0.235 17742 5780 1 9 . 1 1 45 45 LEU CB C 375 41.552 41.552 41.637 -0.085 17742 5781 1 9 . 1 1 45 45 LEU H H 375 7.903 7.903 8.483 -0.580 17742 5782 1 9 . 1 1 46 46 TRP N N 376 121.466 121.466 121.456 0.010 17742 5783 1 9 . 1 1 46 46 TRP HA H 376 4.089 4.089 3.819 0.270 17742 5784 1 9 . 1 1 46 46 TRP C C 376 177.939 177.939 178.502 -0.563 17742 5785 1 9 . 1 1 46 46 TRP CA C 376 60.022 60.022 60.998 -0.976 17742 5786 1 9 . 1 1 46 46 TRP CB C 376 28.817 28.817 29.020 -0.203 17742 5787 1 9 . 1 1 46 46 TRP H H 376 8.633 8.633 8.956 -0.323 17742 5788 1 9 . 1 1 47 47 GLY N N 377 105.142 105.142 105.749 -0.607 17742 5789 1 9 . 1 1 47 47 GLY C C 377 176.128 176.128 175.697 0.431 17742 5790 1 9 . 1 1 47 47 GLY CA C 377 48.035 48.035 46.764 1.271 17742 5791 1 9 . 1 1 47 47 GLY H H 377 8.828 8.828 8.715 0.113 17742 5792 1 9 . 1 1 48 48 ASN N N 378 120.327 120.327 121.359 -1.032 17742 5793 1 9 . 1 1 48 48 ASN HA H 378 4.402 4.402 4.357 0.045 17742 5794 1 9 . 1 1 48 48 ASN C C 378 178.625 178.625 177.707 0.918 17742 5795 1 9 . 1 1 48 48 ASN CA C 378 56.231 56.231 55.828 0.403 17742 5796 1 9 . 1 1 48 48 ASN CB C 378 38.132 38.132 38.420 -0.288 17742 5797 1 9 . 1 1 48 48 ASN H H 378 8.212 8.212 8.383 -0.171 17742 5798 1 9 . 1 1 49 49 HIS N N 379 121.871 121.871 119.579 2.292 17742 5799 1 9 . 1 1 49 49 HIS HA H 379 4.205 4.205 4.343 -0.138 17742 5800 1 9 . 1 1 49 49 HIS C C 379 176.086 176.086 176.499 -0.413 17742 5801 1 9 . 1 1 49 49 HIS CA C 379 59.390 59.390 58.342 1.048 17742 5802 1 9 . 1 1 49 49 HIS CB C 379 29.564 29.564 29.747 -0.183 17742 5803 1 9 . 1 1 49 49 HIS H H 379 8.094 8.094 7.595 0.499 17742 5804 1 9 . 1 1 50 50 LYS N N 380 115.181 115.181 117.161 -1.980 17742 5805 1 9 . 1 1 50 50 LYS HA H 380 3.911 3.911 4.135 -0.224 17742 5806 1 9 . 1 1 50 50 LYS C C 380 175.348 175.348 175.263 0.085 17742 5807 1 9 . 1 1 50 50 LYS CA C 380 53.632 53.632 54.944 -1.312 17742 5808 1 9 . 1 1 50 50 LYS CB C 380 30.742 30.742 30.944 -0.202 17742 5809 1 9 . 1 1 50 50 LYS H H 380 7.482 7.482 7.386 0.096 17742 5810 1 9 . 1 1 51 51 ASN N N 381 116.362 116.362 113.162 3.200 17742 5811 1 9 . 1 1 51 51 ASN HA H 381 4.259 4.259 4.129 0.130 17742 5812 1 9 . 1 1 51 51 ASN C C 381 174.400 174.400 174.794 -0.394 17742 5813 1 9 . 1 1 51 51 ASN CA C 381 54.312 54.312 54.223 0.089 17742 5814 1 9 . 1 1 51 51 ASN CB C 381 37.272 37.272 36.938 0.334 17742 5815 1 9 . 1 1 51 51 ASN H H 381 7.753 7.753 7.596 0.157 17742 5816 1 9 . 1 1 52 52 ARG N N 382 117.723 117.723 118.610 -0.887 17742 5817 1 9 . 1 1 52 52 ARG HA H 382 4.658 4.658 4.543 0.115 17742 5818 1 9 . 1 1 52 52 ARG C C 382 176.209 176.209 176.295 -0.086 17742 5819 1 9 . 1 1 52 52 ARG CA C 382 53.668 53.668 54.596 -0.928 17742 5820 1 9 . 1 1 52 52 ARG CB C 382 32.212 32.212 31.145 1.067 17742 5821 1 9 . 1 1 52 52 ARG H H 382 8.476 8.476 8.154 0.322 17742 5822 1 9 . 1 1 53 53 THR N N 383 114.109 114.109 113.436 0.673 17742 5823 1 9 . 1 1 53 53 THR HA H 383 4.221 4.221 4.374 -0.153 17742 5824 1 9 . 1 1 53 53 THR C C 383 174.644 174.644 174.997 -0.353 17742 5825 1 9 . 1 1 53 53 THR CA C 383 62.187 62.187 63.476 -1.289 17742 5826 1 9 . 1 1 53 53 THR CB C 383 69.710 69.710 69.555 0.155 17742 5827 1 9 . 1 1 53 53 THR H H 383 8.333 8.333 8.439 -0.106 17742 5828 1 9 . 1 1 54 54 ASN N N 384 118.768 118.768 120.163 -1.395 17742 5829 1 9 . 1 1 54 54 ASN HA H 384 4.609 4.609 4.856 -0.247 17742 5830 1 9 . 1 1 54 54 ASN C C 384 174.975 174.975 173.972 1.003 17742 5831 1 9 . 1 1 54 54 ASN CA C 384 53.193 53.193 51.773 1.420 17742 5832 1 9 . 1 1 54 54 ASN CB C 384 37.632 37.632 36.822 0.810 17742 5833 1 9 . 1 1 54 54 ASN H H 384 8.521 8.521 8.336 0.185 17742 5834 1 9 . 1 1 55 55 MET N N 385 119.621 119.621 120.362 -0.741 17742 5835 1 9 . 1 1 55 55 MET HA H 385 4.566 4.566 4.772 -0.206 17742 5836 1 9 . 1 1 55 55 MET C C 385 175.078 175.078 174.853 0.225 17742 5837 1 9 . 1 1 55 55 MET CA C 385 55.298 55.298 55.061 0.237 17742 5838 1 9 . 1 1 55 55 MET CB C 385 31.244 31.244 35.963 -4.719 17742 5839 1 9 . 1 1 55 55 MET H H 385 8.162 8.162 7.537 0.625 17742 5840 1 9 . 1 1 56 56 THR N N 386 113.114 113.114 117.705 -4.591 17742 5841 1 9 . 1 1 56 56 THR HA H 386 4.824 4.824 4.701 0.123 17742 5842 1 9 . 1 1 56 56 THR C C 386 175.549 175.549 174.384 1.165 17742 5843 1 9 . 1 1 56 56 THR CA C 386 59.060 59.060 61.289 -2.229 17742 5844 1 9 . 1 1 56 56 THR CB C 386 72.290 72.290 71.567 0.723 17742 5845 1 9 . 1 1 56 56 THR H H 386 7.031 7.031 8.031 -1.000 17742 5846 1 9 . 1 1 57 57 TYR N N 387 123.401 123.401 124.982 -1.581 17742 5847 1 9 . 1 1 57 57 TYR HA H 387 4.134 4.134 4.162 -0.028 17742 5848 1 9 . 1 1 57 57 TYR C C 387 177.304 177.304 177.189 0.115 17742 5849 1 9 . 1 1 57 57 TYR CA C 387 62.300 62.300 63.066 -0.766 17742 5850 1 9 . 1 1 57 57 TYR CB C 387 37.359 37.359 38.784 -1.425 17742 5851 1 9 . 1 1 57 57 TYR H H 387 9.691 9.691 9.094 0.597 17742 5852 1 9 . 1 1 58 58 GLU N N 388 120.999 120.999 117.285 3.714 17742 5853 1 9 . 1 1 58 58 GLU HA H 388 3.823 3.823 4.082 -0.259 17742 5854 1 9 . 1 1 58 58 GLU C C 388 179.213 179.213 178.251 0.962 17742 5855 1 9 . 1 1 58 58 GLU CA C 388 60.477 60.477 59.248 1.229 17742 5856 1 9 . 1 1 58 58 GLU CB C 388 28.895 28.895 29.158 -0.263 17742 5857 1 9 . 1 1 58 58 GLU H H 388 8.838 8.838 9.069 -0.231 17742 5858 1 9 . 1 1 59 59 LYS N N 389 118.962 118.962 116.956 2.006 17742 5859 1 9 . 1 1 59 59 LYS HA H 389 3.939 3.939 4.158 -0.219 17742 5860 1 9 . 1 1 59 59 LYS C C 389 178.797 178.797 178.328 0.469 17742 5861 1 9 . 1 1 59 59 LYS CA C 389 60.065 60.065 58.334 1.731 17742 5862 1 9 . 1 1 59 59 LYS CB C 389 33.378 33.378 32.936 0.442 17742 5863 1 9 . 1 1 59 59 LYS H H 389 7.506 7.506 7.796 -0.290 17742 5864 1 9 . 1 1 60 60 MET N N 390 120.087 120.087 119.432 0.655 17742 5865 1 9 . 1 1 60 60 MET HA H 390 3.869 3.869 4.336 -0.467 17742 5866 1 9 . 1 1 60 60 MET C C 390 178.146 178.146 177.450 0.696 17742 5867 1 9 . 1 1 60 60 MET CA C 390 59.776 59.776 58.177 1.599 17742 5868 1 9 . 1 1 60 60 MET CB C 390 33.462 33.462 32.937 0.525 17742 5869 1 9 . 1 1 60 60 MET H H 390 8.051 8.051 7.986 0.065 17742 5870 1 9 . 1 1 61 61 SER N N 391 114.537 114.537 115.437 -0.900 17742 5871 1 9 . 1 1 61 61 SER HA H 391 3.786 3.786 3.873 -0.087 17742 5872 1 9 . 1 1 61 61 SER C C 391 176.380 176.380 176.022 0.358 17742 5873 1 9 . 1 1 61 61 SER CA C 391 61.600 61.600 61.120 0.480 17742 5874 1 9 . 1 1 61 61 SER CB C 391 62.251 62.251 62.805 -0.554 17742 5875 1 9 . 1 1 61 61 SER H H 391 8.853 8.853 8.647 0.206 17742 5876 1 9 . 1 1 62 62 ARG N N 392 122.214 122.214 121.339 0.875 17742 5877 1 9 . 1 1 62 62 ARG HA H 392 3.928 3.928 4.019 -0.091 17742 5878 1 9 . 1 1 62 62 ARG C C 392 178.732 178.732 178.146 0.586 17742 5879 1 9 . 1 1 62 62 ARG CA C 392 59.490 59.490 58.684 0.806 17742 5880 1 9 . 1 1 62 62 ARG CB C 392 30.207 30.207 29.413 0.794 17742 5881 1 9 . 1 1 62 62 ARG H H 392 7.471 7.471 7.602 -0.131 17742 5882 1 9 . 1 1 63 63 ALA N N 393 121.091 121.091 121.286 -0.195 17742 5883 1 9 . 1 1 63 63 ALA HA H 393 4.162 4.162 4.177 -0.015 17742 5884 1 9 . 1 1 63 63 ALA C C 393 179.699 179.699 179.440 0.259 17742 5885 1 9 . 1 1 63 63 ALA CA C 393 54.722 54.722 54.460 0.262 17742 5886 1 9 . 1 1 63 63 ALA CB C 393 18.154 18.154 18.274 -0.120 17742 5887 1 9 . 1 1 63 63 ALA H H 393 7.376 7.376 7.416 -0.040 17742 5888 1 9 . 1 1 64 64 LEU N N 394 117.568 117.568 118.761 -1.193 17742 5889 1 9 . 1 1 64 64 LEU HA H 394 3.777 3.777 2.944 0.833 17742 5890 1 9 . 1 1 64 64 LEU C C 394 178.085 178.085 178.197 -0.112 17742 5891 1 9 . 1 1 64 64 LEU CA C 394 58.075 58.075 56.835 1.240 17742 5892 1 9 . 1 1 64 64 LEU CB C 394 41.052 41.052 41.154 -0.102 17742 5893 1 9 . 1 1 64 64 LEU H H 394 7.853 7.853 6.991 0.862 17742 5894 1 9 . 1 1 65 65 ARG N N 395 116.111 116.111 118.183 -2.072 17742 5895 1 9 . 1 1 65 65 ARG HA H 395 3.529 3.529 4.152 -0.623 17742 5896 1 9 . 1 1 65 65 ARG C C 395 179.519 179.519 178.621 0.898 17742 5897 1 9 . 1 1 65 65 ARG CA C 395 59.133 59.133 58.609 0.524 17742 5898 1 9 . 1 1 65 65 ARG CB C 395 30.004 30.004 29.479 0.525 17742 5899 1 9 . 1 1 65 65 ARG H H 395 7.521 7.521 8.084 -0.563 17742 5900 1 9 . 1 1 66 66 HIS N N 396 118.081 118.081 116.932 1.149 17742 5901 1 9 . 1 1 66 66 HIS HA H 396 4.436 4.436 4.527 -0.091 17742 5902 1 9 . 1 1 66 66 HIS C C 396 177.826 177.826 177.719 0.107 17742 5903 1 9 . 1 1 66 66 HIS CA C 396 59.063 59.063 59.487 -0.424 17742 5904 1 9 . 1 1 66 66 HIS CB C 396 30.154 30.154 30.271 -0.117 17742 5905 1 9 . 1 1 66 66 HIS H H 396 7.241 7.241 7.689 -0.448 17742 5906 1 9 . 1 1 67 67 TYR N N 397 116.301 116.301 119.553 -3.252 17742 5907 1 9 . 1 1 67 67 TYR HA H 397 4.128 4.128 4.210 -0.082 17742 5908 1 9 . 1 1 67 67 TYR C C 397 179.075 179.075 177.882 1.193 17742 5909 1 9 . 1 1 67 67 TYR CA C 397 61.525 61.525 59.012 2.513 17742 5910 1 9 . 1 1 67 67 TYR CB C 397 37.522 37.522 36.560 0.962 17742 5911 1 9 . 1 1 67 67 TYR H H 397 7.532 7.532 7.787 -0.255 17742 5912 1 9 . 1 1 68 68 TYR N N 398 121.389 121.389 117.777 3.612 17742 5913 1 9 . 1 1 68 68 TYR HA H 398 5.474 5.474 4.678 0.796 17742 5914 1 9 . 1 1 68 68 TYR C C 398 172.285 172.285 178.079 -5.794 17742 5915 1 9 . 1 1 68 68 TYR CA C 398 57.651 57.651 60.352 -2.701 17742 5916 1 9 . 1 1 68 68 TYR CB C 398 37.055 37.055 37.589 -0.534 17742 5917 1 9 . 1 1 68 68 TYR H H 398 8.061 8.061 7.452 0.609 17742 5918 1 9 . 1 1 69 69 LYS N N 399 121.098 121.098 118.675 2.423 17742 5919 1 9 . 1 1 69 69 LYS HA H 399 4.125 4.125 4.164 -0.039 17742 5920 1 9 . 1 1 69 69 LYS C C 399 178.122 178.122 178.049 0.073 17742 5921 1 9 . 1 1 69 69 LYS CA C 399 58.801 58.801 58.424 0.377 17742 5922 1 9 . 1 1 69 69 LYS CB C 399 32.242 32.242 31.996 0.246 17742 5923 1 9 . 1 1 69 69 LYS H H 399 7.799 7.799 7.675 0.124 17742 5924 1 9 . 1 1 70 70 LEU N N 400 116.117 116.117 116.563 -0.446 17742 5925 1 9 . 1 1 70 70 LEU HA H 400 4.312 4.312 4.264 0.048 17742 5926 1 9 . 1 1 70 70 LEU C C 400 175.903 175.903 176.758 -0.855 17742 5927 1 9 . 1 1 70 70 LEU CA C 400 54.642 54.642 54.916 -0.274 17742 5928 1 9 . 1 1 70 70 LEU CB C 400 42.796 42.796 41.809 0.987 17742 5929 1 9 . 1 1 70 70 LEU H H 400 7.257 7.257 7.529 -0.272 17742 5930 1 9 . 1 1 71 71 ASN N N 401 115.181 115.181 114.006 1.175 17742 5931 1 9 . 1 1 71 71 ASN HA H 401 4.368 4.368 4.395 -0.027 17742 5932 1 9 . 1 1 71 71 ASN C C 401 173.597 173.597 175.207 -1.610 17742 5933 1 9 . 1 1 71 71 ASN CA C 401 54.622 54.622 54.256 0.366 17742 5934 1 9 . 1 1 71 71 ASN CB C 401 37.252 37.252 37.663 -0.411 17742 5935 1 9 . 1 1 71 71 ASN H H 401 8.061 8.061 7.627 0.434 17742 5936 1 9 . 1 1 72 72 ILE N N 402 114.031 114.031 117.128 -3.097 17742 5937 1 9 . 1 1 72 72 ILE HA H 402 4.128 4.128 3.857 0.271 17742 5938 1 9 . 1 1 72 72 ILE C C 402 176.467 176.467 175.568 0.899 17742 5939 1 9 . 1 1 72 72 ILE CA C 402 63.720 63.720 64.244 -0.524 17742 5940 1 9 . 1 1 72 72 ILE CB C 402 40.491 40.491 38.963 1.528 17742 5941 1 9 . 1 1 72 72 ILE H H 402 8.104 8.104 7.937 0.167 17742 5942 1 9 . 1 1 73 73 ILE N N 403 116.973 116.973 116.502 0.471 17742 5943 1 9 . 1 1 73 73 ILE HA H 403 5.014 5.014 5.207 -0.193 17742 5944 1 9 . 1 1 73 73 ILE C C 403 174.039 174.039 173.899 0.140 17742 5945 1 9 . 1 1 73 73 ILE CA C 403 59.357 59.357 59.381 -0.024 17742 5946 1 9 . 1 1 73 73 ILE CB C 403 43.362 43.362 41.897 1.465 17742 5947 1 9 . 1 1 73 73 ILE H H 403 7.099 7.099 7.323 -0.224 17742 5948 1 9 . 1 1 74 74 ARG N N 404 123.639 123.639 123.902 -0.263 17742 5949 1 9 . 1 1 74 74 ARG HA H 404 4.771 4.771 4.970 -0.199 17742 5950 1 9 . 1 1 74 74 ARG C C 404 174.917 174.917 174.296 0.621 17742 5951 1 9 . 1 1 74 74 ARG CA C 404 54.261 54.261 54.205 0.056 17742 5952 1 9 . 1 1 74 74 ARG CB C 404 34.689 34.689 33.590 1.099 17742 5953 1 9 . 1 1 74 74 ARG H H 404 8.983 8.983 8.591 0.392 17742 5954 1 9 . 1 1 75 75 LYS N N 405 125.665 125.665 122.609 3.056 17742 5955 1 9 . 1 1 75 75 LYS HA H 405 4.071 4.071 4.573 -0.502 17742 5956 1 9 . 1 1 75 75 LYS C C 405 176.525 176.525 176.518 0.007 17742 5957 1 9 . 1 1 75 75 LYS CA C 405 56.470 56.470 56.398 0.072 17742 5958 1 9 . 1 1 75 75 LYS CB C 405 32.649 32.649 33.041 -0.392 17742 5959 1 9 . 1 1 75 75 LYS H H 405 8.263 8.263 8.512 -0.249 17742 5960 1 9 . 1 1 76 76 GLU N N 406 128.072 128.072 124.646 3.426 17742 5961 1 9 . 1 1 76 76 GLU HA H 406 4.432 4.432 4.494 -0.062 17742 5962 1 9 . 1 1 76 76 GLU CA C 406 53.747 53.747 54.396 -0.649 17742 5963 1 9 . 1 1 76 76 GLU CB C 406 29.914 29.914 29.654 0.260 17742 5964 1 9 . 1 1 76 76 GLU H H 406 8.024 8.024 8.799 -0.775 17742 5965 1 9 . 1 1 77 77 PRO HA H 407 4.282 4.282 4.242 0.040 17742 5966 1 9 . 1 1 77 77 PRO C C 407 177.719 177.719 177.601 0.118 17742 5967 1 9 . 1 1 77 77 PRO CA C 407 63.407 63.407 64.336 -0.929 17742 5968 1 9 . 1 1 77 77 PRO CB C 407 32.184 32.184 31.301 0.883 17742 5969 1 9 . 1 1 78 78 GLY N N 408 109.716 109.716 111.890 -2.174 17742 5970 1 9 . 1 1 78 78 GLY C C 408 174.053 174.053 173.644 0.409 17742 5971 1 9 . 1 1 78 78 GLY CA C 408 45.519 45.519 44.927 0.592 17742 5972 1 9 . 1 1 78 78 GLY H H 408 8.531 8.531 8.691 -0.160 17742 5973 1 9 . 1 1 79 79 GLN N N 409 116.964 116.964 119.446 -2.482 17742 5974 1 9 . 1 1 79 79 GLN HA H 409 4.488 4.488 4.629 -0.141 17742 5975 1 9 . 1 1 79 79 GLN C C 409 175.390 175.390 176.063 -0.673 17742 5976 1 9 . 1 1 79 79 GLN CA C 409 54.359 54.359 54.055 0.304 17742 5977 1 9 . 1 1 79 79 GLN CB C 409 31.202 31.202 31.104 0.098 17742 5978 1 9 . 1 1 79 79 GLN H H 409 7.559 7.559 7.755 -0.196 17742 5979 1 9 . 1 1 80 80 ARG N N 410 120.457 120.457 125.117 -4.660 17742 5980 1 9 . 1 1 80 80 ARG HA H 410 4.262 4.262 4.034 0.228 17742 5981 1 9 . 1 1 80 80 ARG C C 410 176.270 176.270 176.633 -0.363 17742 5982 1 9 . 1 1 80 80 ARG CA C 410 56.821 56.821 58.571 -1.750 17742 5983 1 9 . 1 1 80 80 ARG CB C 410 31.502 31.502 29.249 2.253 17742 5984 1 9 . 1 1 80 80 ARG H H 410 8.251 8.251 8.867 -0.616 17742 5985 1 9 . 1 1 81 81 LEU N N 411 119.348 119.348 119.817 -0.469 17742 5986 1 9 . 1 1 81 81 LEU HA H 411 4.023 4.023 4.478 -0.455 17742 5987 1 9 . 1 1 81 81 LEU C C 411 173.279 173.279 175.011 -1.732 17742 5988 1 9 . 1 1 81 81 LEU CA C 411 55.030 55.030 53.355 1.675 17742 5989 1 9 . 1 1 81 81 LEU CB C 411 40.335 40.335 41.603 -1.268 17742 5990 1 9 . 1 1 81 81 LEU H H 411 8.435 8.435 8.041 0.394 17742 5991 1 9 . 1 1 82 82 LEU N N 412 119.070 119.070 121.858 -2.788 17742 5992 1 9 . 1 1 82 82 LEU HA H 412 5.013 5.013 4.291 0.722 17742 5993 1 9 . 1 1 82 82 LEU C C 412 175.361 175.361 175.832 -0.471 17742 5994 1 9 . 1 1 82 82 LEU CA C 412 53.212 53.212 54.424 -1.212 17742 5995 1 9 . 1 1 82 82 LEU CB C 412 45.471 45.471 41.112 4.359 17742 5996 1 9 . 1 1 82 82 LEU H H 412 6.751 6.751 7.497 -0.747 17742 5997 1 9 . 1 1 83 83 PHE N N 413 122.184 122.184 124.816 -2.632 17742 5998 1 9 . 1 1 83 83 PHE HA H 413 4.865 4.865 5.370 -0.505 17742 5999 1 9 . 1 1 83 83 PHE C C 413 172.849 172.849 174.766 -1.917 17742 6000 1 9 . 1 1 83 83 PHE CA C 413 55.921 55.921 54.377 1.544 17742 6001 1 9 . 1 1 83 83 PHE CB C 413 44.569 44.569 42.525 2.044 17742 6002 1 9 . 1 1 83 83 PHE H H 413 8.661 8.661 8.919 -0.258 17742 6003 1 9 . 1 1 84 84 ARG N N 414 119.461 119.461 119.655 -0.194 17742 6004 1 9 . 1 1 84 84 ARG HA H 414 5.581 5.581 5.232 0.349 17742 6005 1 9 . 1 1 84 84 ARG C C 414 177.641 177.641 174.818 2.823 17742 6006 1 9 . 1 1 84 84 ARG CA C 414 54.239 54.239 55.730 -1.491 17742 6007 1 9 . 1 1 84 84 ARG CB C 414 36.198 36.198 33.972 2.226 17742 6008 1 9 . 1 1 84 84 ARG H H 414 9.098 9.098 8.604 0.494 17742 6009 1 9 . 1 1 85 85 PHE N N 415 124.274 124.274 127.670 -3.396 17742 6010 1 9 . 1 1 85 85 PHE HA H 415 5.027 5.027 5.110 -0.083 17742 6011 1 9 . 1 1 85 85 PHE C C 415 176.117 176.117 175.731 0.386 17742 6012 1 9 . 1 1 85 85 PHE CA C 415 59.657 59.657 59.258 0.399 17742 6013 1 9 . 1 1 85 85 PHE CB C 415 40.819 40.819 38.636 2.183 17742 6014 1 9 . 1 1 85 85 PHE H H 415 8.928 8.928 9.583 -0.655 17742 6015 1 9 . 1 1 86 86 MET N N 416 121.081 121.081 122.294 -1.213 17742 6016 1 9 . 1 1 86 86 MET HA H 416 4.656 4.656 4.453 0.203 17742 6017 1 9 . 1 1 86 86 MET C C 416 176.444 176.444 176.520 -0.076 17742 6018 1 9 . 1 1 86 86 MET CA C 416 54.681 54.681 56.308 -1.627 17742 6019 1 9 . 1 1 86 86 MET CB C 416 31.698 31.698 32.682 -0.984 17742 6020 1 9 . 1 1 86 86 MET H H 416 8.676 8.676 8.407 0.269 17742 6021 1 9 . 1 1 87 87 LYS N N 417 117.772 117.772 116.159 1.613 17742 6022 1 9 . 1 1 87 87 LYS HA H 417 4.899 4.899 4.748 0.151 17742 6023 1 9 . 1 1 87 87 LYS C C 417 175.621 175.621 175.037 0.584 17742 6024 1 9 . 1 1 87 87 LYS CA C 417 54.522 54.522 54.772 -0.250 17742 6025 1 9 . 1 1 87 87 LYS CB C 417 37.905 37.905 35.775 2.130 17742 6026 1 9 . 1 1 87 87 LYS H H 417 7.624 7.624 7.443 0.181 17742 6027 1 9 . 1 1 88 88 THR N N 418 112.426 112.426 112.107 0.319 17742 6028 1 9 . 1 1 88 88 THR HA H 418 4.372 4.372 4.467 -0.095 17742 6029 1 9 . 1 1 88 88 THR CA C 418 59.786 59.786 58.696 1.090 17742 6030 1 9 . 1 1 88 88 THR CB C 418 68.040 68.040 68.225 -0.185 17742 6031 1 9 . 1 1 88 88 THR H H 418 8.787 8.787 9.238 -0.451 17742 6032 1 9 . 1 1 89 89 PRO HA H 419 3.654 3.654 3.031 0.623 17742 6033 1 9 . 1 1 89 89 PRO C C 419 177.412 177.412 178.417 -1.005 17742 6034 1 9 . 1 1 89 89 PRO CA C 419 65.712 65.712 66.357 -0.645 17742 6035 1 9 . 1 1 89 89 PRO CB C 419 31.762 31.762 31.575 0.187 17742 6036 1 9 . 1 1 90 90 ASP N N 420 114.221 114.221 114.288 -0.067 17742 6037 1 9 . 1 1 90 90 ASP HA H 420 4.224 4.224 4.227 -0.003 17742 6038 1 9 . 1 1 90 90 ASP C C 420 178.341 178.341 177.264 1.077 17742 6039 1 9 . 1 1 90 90 ASP CA C 420 56.657 56.657 56.501 0.156 17742 6040 1 9 . 1 1 90 90 ASP CB C 420 40.642 40.642 40.552 0.090 17742 6041 1 9 . 1 1 90 90 ASP H H 420 7.958 7.958 8.401 -0.443 17742 6042 1 9 . 1 1 91 91 GLU N N 421 119.443 119.443 117.627 1.816 17742 6043 1 9 . 1 1 91 91 GLU HA H 421 4.006 4.006 4.044 -0.038 17742 6044 1 9 . 1 1 91 91 GLU C C 421 179.238 179.238 179.072 0.166 17742 6045 1 9 . 1 1 91 91 GLU CA C 421 58.458 58.458 58.455 0.004 17742 6046 1 9 . 1 1 91 91 GLU CB C 421 30.774 30.774 29.905 0.869 17742 6047 1 9 . 1 1 91 91 GLU H H 421 7.628 7.628 7.521 0.107 17742 6048 1 9 . 1 1 92 92 ILE N N 422 120.617 120.617 121.093 -0.476 17742 6049 1 9 . 1 1 92 92 ILE HA H 422 3.589 3.589 3.492 0.097 17742 6050 1 9 . 1 1 92 92 ILE C C 422 178.124 178.124 177.036 1.088 17742 6051 1 9 . 1 1 92 92 ILE CA C 422 63.878 63.878 64.975 -1.097 17742 6052 1 9 . 1 1 92 92 ILE CB C 422 38.142 38.142 37.559 0.583 17742 6053 1 9 . 1 1 92 92 ILE H H 422 7.896 7.896 7.740 0.156 17742 6054 1 9 . 1 1 93 93 MET N N 423 117.857 117.857 116.013 1.844 17742 6055 1 9 . 1 1 93 93 MET HA H 423 4.365 4.365 4.301 0.063 17742 6056 1 9 . 1 1 93 93 MET C C 423 177.009 177.009 177.587 -0.578 17742 6057 1 9 . 1 1 93 93 MET CA C 423 56.527 56.527 57.378 -0.851 17742 6058 1 9 . 1 1 93 93 MET CB C 423 32.617 32.617 32.004 0.613 17742 6059 1 9 . 1 1 93 93 MET H H 423 8.161 8.161 8.307 -0.146 17742 6060 1 9 . 1 1 94 94 SER N N 424 114.591 114.591 114.816 -0.225 17742 6061 1 9 . 1 1 94 94 SER HA H 424 4.406 4.406 4.290 0.116 17742 6062 1 9 . 1 1 94 94 SER C C 424 175.262 175.262 175.184 0.078 17742 6063 1 9 . 1 1 94 94 SER CA C 424 59.482 59.482 59.526 -0.044 17742 6064 1 9 . 1 1 94 94 SER CB C 424 63.466 63.466 63.633 -0.167 17742 6065 1 9 . 1 1 94 94 SER H H 424 7.744 7.744 7.469 0.275 17742 6066 1 9 . 1 1 95 95 GLY N N 425 109.590 109.590 107.601 1.989 17742 6067 1 9 . 1 1 95 95 GLY C C 425 174.197 174.197 174.562 -0.365 17742 6068 1 9 . 1 1 95 95 GLY CA C 425 45.122 45.122 45.288 -0.166 17742 6069 1 9 . 1 1 95 95 GLY H H 425 7.970 7.970 7.646 0.324 17742 6070 1 9 . 1 1 96 96 ARG N N 426 119.792 119.792 117.824 1.968 17742 6071 1 9 . 1 1 96 96 ARG HA H 426 4.567 4.567 4.771 -0.204 17742 6072 1 9 . 1 1 96 96 ARG C C 426 177.866 177.866 176.932 0.934 17742 6073 1 9 . 1 1 96 96 ARG CA C 426 55.757 55.757 55.376 0.381 17742 6074 1 9 . 1 1 96 96 ARG CB C 426 30.059 30.059 31.125 -1.066 17742 6075 1 9 . 1 1 96 96 ARG H H 426 8.144 8.144 8.241 -0.097 17742 6076 1 9 . 1 1 97 97 THR N N 427 114.770 114.770 112.907 1.863 17742 6077 1 9 . 1 1 97 97 THR HA H 427 4.221 4.221 4.180 0.041 17742 6078 1 9 . 1 1 97 97 THR C C 427 175.449 175.449 175.618 -0.169 17742 6079 1 9 . 1 1 97 97 THR CA C 427 63.411 63.411 66.151 -2.740 17742 6080 1 9 . 1 1 97 97 THR CB C 427 69.080 69.080 68.234 0.846 17742 6081 1 9 . 1 1 97 97 THR H H 427 8.427 8.427 7.792 0.635 17742 6082 1 9 . 1 1 98 98 ASP N N 428 122.017 122.017 121.916 0.101 17742 6083 1 9 . 1 1 98 98 ASP HA H 428 4.404 4.404 4.328 0.076 17742 6084 1 9 . 1 1 98 98 ASP C C 428 178.042 178.042 177.989 0.053 17742 6085 1 9 . 1 1 98 98 ASP CA C 428 56.438 56.438 57.163 -0.725 17742 6086 1 9 . 1 1 98 98 ASP CB C 428 40.012 40.012 39.682 0.330 17742 6087 1 9 . 1 1 98 98 ASP H H 428 8.659 8.659 8.775 -0.116 17742 6088 1 9 . 1 1 99 99 ARG N N 429 120.083 120.083 119.675 0.408 17742 6089 1 9 . 1 1 99 99 ARG HA H 429 4.190 4.190 4.194 -0.004 17742 6090 1 9 . 1 1 99 99 ARG C C 429 178.236 178.236 178.612 -0.376 17742 6091 1 9 . 1 1 99 99 ARG CA C 429 58.307 58.307 58.645 -0.339 17742 6092 1 9 . 1 1 99 99 ARG CB C 429 30.073 30.073 30.147 -0.074 17742 6093 1 9 . 1 1 99 99 ARG H H 429 8.011 8.011 7.845 0.166 17742 6094 1 9 . 1 1 100 100 LEU N N 430 119.784 119.784 121.065 -1.281 17742 6095 1 9 . 1 1 100 100 LEU HA H 430 4.048 4.048 4.060 -0.012 17742 6096 1 9 . 1 1 100 100 LEU C C 430 178.209 178.209 178.601 -0.392 17742 6097 1 9 . 1 1 100 100 LEU CA C 430 57.535 57.535 58.103 -0.568 17742 6098 1 9 . 1 1 100 100 LEU CB C 430 42.218 42.218 41.931 0.287 17742 6099 1 9 . 1 1 100 100 LEU H H 430 7.667 7.667 7.576 0.091 17742 6100 1 9 . 1 1 101 101 GLU N N 431 119.434 119.434 118.313 1.121 17742 6101 1 9 . 1 1 101 101 GLU HA H 431 3.962 3.962 3.961 0.001 17742 6102 1 9 . 1 1 101 101 GLU C C 431 178.773 178.773 179.205 -0.432 17742 6103 1 9 . 1 1 101 101 GLU CA C 431 59.470 59.470 59.840 -0.369 17742 6104 1 9 . 1 1 101 101 GLU CB C 431 29.667 29.667 29.541 0.126 17742 6105 1 9 . 1 1 101 101 GLU H H 431 8.339 8.339 8.859 -0.520 17742 6106 1 9 . 1 1 102 102 HIS N N 432 118.026 118.026 118.562 -0.536 17742 6107 1 9 . 1 1 102 102 HIS HA H 432 4.463 4.463 4.436 0.027 17742 6108 1 9 . 1 1 102 102 HIS C C 432 177.322 177.322 177.661 -0.339 17742 6109 1 9 . 1 1 102 102 HIS CA C 432 58.432 58.432 59.086 -0.654 17742 6110 1 9 . 1 1 102 102 HIS CB C 432 29.237 29.237 30.213 -0.976 17742 6111 1 9 . 1 1 102 102 HIS H H 432 7.995 7.995 7.854 0.141 17742 6112 1 9 . 1 1 103 103 LEU N N 433 120.785 120.785 120.516 0.269 17742 6113 1 9 . 1 1 103 103 LEU HA H 433 3.971 3.971 4.123 -0.152 17742 6114 1 9 . 1 1 103 103 LEU C C 433 179.014 179.014 178.404 0.610 17742 6115 1 9 . 1 1 103 103 LEU CA C 433 57.570 57.570 57.351 0.219 17742 6116 1 9 . 1 1 103 103 LEU CB C 433 41.606 41.606 41.446 0.161 17742 6117 1 9 . 1 1 103 103 LEU H H 433 8.077 8.077 7.866 0.211 17742 6118 1 9 . 1 1 104 104 GLU N N 434 119.107 119.107 118.872 0.235 17742 6119 1 9 . 1 1 104 104 GLU HA H 434 4.025 4.025 4.026 -0.001 17742 6120 1 9 . 1 1 104 104 GLU C C 434 178.187 178.187 179.223 -1.036 17742 6121 1 9 . 1 1 104 104 GLU CA C 434 60.221 60.221 59.700 0.521 17742 6122 1 9 . 1 1 104 104 GLU CB C 434 30.104 30.104 29.430 0.674 17742 6123 1 9 . 1 1 104 104 GLU H H 434 8.443 8.443 9.028 -0.585 17742 6124 1 9 . 1 1 105 105 SER N N 435 114.129 114.129 114.564 -0.435 17742 6125 1 9 . 1 1 105 105 SER HA H 435 4.204 4.204 4.233 -0.029 17742 6126 1 9 . 1 1 105 105 SER C C 435 175.924 175.924 175.506 0.418 17742 6127 1 9 . 1 1 105 105 SER CA C 435 61.303 61.303 61.184 0.119 17742 6128 1 9 . 1 1 105 105 SER CB C 435 63.070 63.070 63.212 -0.141 17742 6129 1 9 . 1 1 105 105 SER H H 435 8.041 8.041 7.819 0.222 17742 6130 1 9 . 1 1 106 106 GLN N N 436 120.201 120.201 118.880 1.321 17742 6131 1 9 . 1 1 106 106 GLN HA H 436 4.124 4.124 4.205 -0.081 17742 6132 1 9 . 1 1 106 106 GLN C C 436 178.242 178.242 178.281 -0.039 17742 6133 1 9 . 1 1 106 106 GLN CA C 436 58.242 58.242 57.787 0.455 17742 6134 1 9 . 1 1 106 106 GLN CB C 436 29.001 29.001 29.326 -0.326 17742 6135 1 9 . 1 1 106 106 GLN H H 436 7.823 7.823 7.632 0.191 17742 6136 1 9 . 1 1 107 107 VAL N N 437 117.503 117.503 120.168 -2.665 17742 6137 1 9 . 1 1 107 107 VAL HA H 437 3.955 3.955 4.090 -0.135 17742 6138 1 9 . 1 1 107 107 VAL C C 437 177.462 177.462 176.756 0.706 17742 6139 1 9 . 1 1 107 107 VAL CA C 437 64.414 64.414 65.246 -0.832 17742 6140 1 9 . 1 1 107 107 VAL CB C 437 32.192 32.192 32.031 0.161 17742 6141 1 9 . 1 1 107 107 VAL H H 437 7.711 7.711 8.582 -0.872 17742 6142 1 9 . 1 1 108 108 LEU HA H 438 4.072 4.072 4.210 -0.138 17742 6143 1 9 . 1 1 108 108 LEU C C 438 177.614 177.614 177.240 0.374 17742 6144 1 9 . 1 1 108 108 LEU CA C 438 56.521 56.521 55.864 0.657 17742 6145 1 9 . 1 1 108 108 LEU CB C 438 42.149 42.149 41.328 0.821 17742 6146 1 9 . 1 1 109 109 ASP N N 439 118.500 118.500 117.959 0.541 17742 6147 1 9 . 1 1 109 109 ASP HA H 439 4.685 4.685 4.673 0.012 17742 6148 1 9 . 1 1 109 109 ASP C C 439 176.372 176.372 177.309 -0.937 17742 6149 1 9 . 1 1 109 109 ASP CA C 439 54.653 54.653 54.576 0.077 17742 6150 1 9 . 1 1 109 109 ASP CB C 439 41.425 41.425 42.072 -0.647 17742 6151 1 9 . 1 1 109 109 ASP H H 439 7.872 7.872 7.879 -0.007 17742 6152 1 9 . 1 1 110 110 GLU N N 440 120.701 120.701 118.901 1.800 17742 6153 1 9 . 1 1 110 110 GLU HA H 440 4.188 4.188 4.057 0.131 17742 6154 1 9 . 1 1 110 110 GLU C C 440 176.739 176.739 177.112 -0.373 17742 6155 1 9 . 1 1 110 110 GLU CA C 440 57.310 57.310 58.620 -1.310 17742 6156 1 9 . 1 1 110 110 GLU CB C 440 30.091 30.091 30.039 0.052 17742 6157 1 9 . 1 1 110 110 GLU H H 440 7.929 7.929 8.206 -0.277 17742 6158 1 9 . 1 1 111 111 GLN N N 441 120.829 120.829 118.488 2.341 17742 6159 1 9 . 1 1 111 111 GLN HA H 441 4.341 4.341 4.390 -0.049 17742 6160 1 9 . 1 1 111 111 GLN C C 441 176.214 176.214 175.588 0.626 17742 6161 1 9 . 1 1 111 111 GLN CA C 441 56.103 56.103 54.694 1.409 17742 6162 1 9 . 1 1 111 111 GLN CB C 441 29.607 29.607 29.440 0.167 17742 6163 1 9 . 1 1 111 111 GLN H H 441 8.434 8.434 8.185 0.249 17742 6164 1 9 . 1 1 112 112 THR N N 442 114.861 114.861 115.008 -0.147 17742 6165 1 9 . 1 1 112 112 THR HA H 442 4.258 4.258 4.106 0.152 17742 6166 1 9 . 1 1 112 112 THR C C 442 174.095 174.095 176.222 -2.127 17742 6167 1 9 . 1 1 112 112 THR CA C 442 62.140 62.140 62.590 -0.450 17742 6168 1 9 . 1 1 112 112 THR CB C 442 69.870 69.870 69.133 0.737 17742 6169 1 9 . 1 1 112 112 THR H H 442 8.038 8.038 8.158 -0.120 17742 6170 1 9 . 1 1 113 113 TYR N N 443 122.709 122.709 120.096 2.613 17742 6171 1 9 . 1 1 113 113 TYR HA H 443 4.552 4.552 4.351 0.201 17742 6172 1 9 . 1 1 113 113 TYR C C 443 175.303 175.303 174.916 0.387 17742 6173 1 9 . 1 1 113 113 TYR CA C 443 57.921 57.921 57.172 0.749 17742 6174 1 9 . 1 1 113 113 TYR CB C 443 38.982 38.982 36.667 2.315 17742 6175 1 9 . 1 1 113 113 TYR H H 443 8.171 8.171 8.420 -0.249 17742 6176 1 9 . 1 1 114 114 GLN N N 444 122.768 122.768 117.952 4.816 17742 6177 1 9 . 1 1 114 114 GLN HA H 444 4.284 4.284 3.928 0.356 17742 6178 1 9 . 1 1 114 114 GLN C C 444 175.372 175.372 174.964 0.408 17742 6179 1 9 . 1 1 114 114 GLN CA C 444 55.543 55.543 55.925 -0.382 17742 6180 1 9 . 1 1 114 114 GLN CB C 444 29.894 29.894 28.109 1.785 17742 6181 1 9 . 1 1 114 114 GLN H H 444 8.202 8.202 7.804 0.398 17742 6182 1 9 . 1 1 115 115 GLU N N 445 122.370 122.370 121.776 0.594 17742 6183 1 9 . 1 1 115 115 GLU HA H 445 4.225 4.225 3.851 0.374 17742 6184 1 9 . 1 1 115 115 GLU C C 445 176.058 176.058 175.715 0.343 17742 6185 1 9 . 1 1 115 115 GLU CA C 445 56.612 56.612 56.165 0.447 17742 6186 1 9 . 1 1 115 115 GLU CB C 445 30.517 30.517 29.065 1.452 17742 6187 1 9 . 1 1 115 115 GLU H H 445 8.371 8.371 8.511 -0.140 17742 6188 1 9 . 1 1 116 116 ASP N N 446 121.090 121.090 124.850 -3.760 17742 6189 1 9 . 1 1 116 116 ASP HA H 446 4.595 4.595 4.603 -0.008 17742 6190 1 9 . 1 1 116 116 ASP C C 446 175.872 175.872 176.709 -0.837 17742 6191 1 9 . 1 1 116 116 ASP CA C 446 54.382 54.382 55.497 -1.115 17742 6192 1 9 . 1 1 116 116 ASP CB C 446 41.402 41.402 41.925 -0.523 17742 6193 1 9 . 1 1 116 116 ASP H H 446 8.336 8.336 8.280 0.056 17742 6194 1 9 . 1 1 117 117 GLU N N 447 121.977 121.977 120.371 1.606 17742 6195 1 9 . 1 1 117 117 GLU HA H 447 4.575 4.575 4.467 0.108 17742 6196 1 9 . 1 1 117 117 GLU CA C 447 54.442 54.442 54.559 -0.117 17742 6197 1 9 . 1 1 117 117 GLU CB C 447 30.254 30.254 28.968 1.286 17742 6198 1 9 . 1 1 117 117 GLU H H 447 8.194 8.194 8.516 -0.322 17742 6199 1 9 . 1 1 118 118 PRO HA H 448 4.461 4.461 4.389 0.072 17742 6200 1 9 . 1 1 118 118 PRO C C 448 177.160 177.160 176.985 0.175 17742 6201 1 9 . 1 1 118 118 PRO CA C 448 63.371 63.371 63.300 0.070 17742 6202 1 9 . 1 1 118 118 PRO CB C 448 32.302 32.302 31.901 0.401 17742 6203 1 9 . 1 1 119 119 THR N N 449 114.788 114.788 115.847 -1.059 17742 6204 1 9 . 1 1 119 119 THR HA H 449 4.292 4.292 4.317 -0.025 17742 6205 1 9 . 1 1 119 119 THR C C 449 174.664 174.664 175.782 -1.118 17742 6206 1 9 . 1 1 119 119 THR CA C 449 62.117 62.117 62.516 -0.399 17742 6207 1 9 . 1 1 119 119 THR CB C 449 69.861 69.861 69.654 0.207 17742 6208 1 9 . 1 1 119 119 THR H H 449 8.235 8.235 8.218 0.017 17742 6209 1 9 . 1 1 120 120 ILE N N 450 123.074 123.074 126.295 -3.221 17742 6210 1 9 . 1 1 120 120 ILE HA H 450 4.169 4.169 3.586 0.583 17742 6211 1 9 . 1 1 120 120 ILE C C 450 175.683 175.683 177.094 -1.411 17742 6212 1 9 . 1 1 120 120 ILE CA C 450 60.987 60.987 63.545 -2.558 17742 6213 1 9 . 1 1 120 120 ILE CB C 450 38.983 38.983 36.957 2.026 17742 6214 1 9 . 1 1 120 120 ILE H H 450 8.043 8.043 9.289 -1.246 17742 6215 1 9 . 1 1 121 121 ALA N N 451 128.011 128.011 120.950 7.061 17742 6216 1 9 . 1 1 121 121 ALA HA H 451 4.332 4.332 3.846 0.486 17742 6217 1 9 . 1 1 121 121 ALA C C 451 177.333 177.333 177.302 0.031 17742 6218 1 9 . 1 1 121 121 ALA CA C 451 52.364 52.364 53.851 -1.487 17742 6219 1 9 . 1 1 121 121 ALA CB C 451 19.534 19.534 16.847 2.687 17742 6220 1 9 . 1 1 121 121 ALA H H 451 8.277 8.277 7.726 0.551 17742 6221 1 9 . 1 1 122 122 SER N N 452 116.575 116.575 118.839 -2.264 17742 6222 1 9 . 1 1 122 122 SER HA H 452 4.672 4.672 4.664 0.008 17742 6223 1 9 . 1 1 122 122 SER CA C 452 56.230 56.230 56.271 -0.041 17742 6224 1 9 . 1 1 122 122 SER CB C 452 63.460 63.460 63.120 0.341 17742 6225 1 9 . 1 1 122 122 SER H H 452 8.161 8.161 7.992 0.169 17742 6226 1 9 . 1 1 123 123 PRO HA H 453 4.395 4.395 3.912 0.483 17742 6227 1 9 . 1 1 123 123 PRO C C 453 176.993 176.993 175.781 1.212 17742 6228 1 9 . 1 1 123 123 PRO CA C 453 63.303 63.303 63.315 -0.012 17742 6229 1 9 . 1 1 123 123 PRO CB C 453 32.149 32.149 31.800 0.349 17742 6230 1 9 . 1 1 124 124 VAL N N 454 119.733 119.733 124.441 -4.708 17742 6231 1 9 . 1 1 124 124 VAL HA H 454 4.010 4.010 4.066 -0.056 17742 6232 1 9 . 1 1 124 124 VAL CA C 454 62.674 62.674 63.019 -0.345 17742 6233 1 9 . 1 1 124 124 VAL CB C 454 32.669 32.669 32.760 -0.091 17742 6234 1 9 . 1 1 124 124 VAL H H 454 8.058 8.058 8.133 -0.075 17742 6235 1 9 . 1 1 125 125 GLY N N 455 111.901 111.901 109.849 2.052 17742 6236 1 9 . 1 1 125 125 GLY CA C 455 45.152 45.152 46.137 -0.985 17742 6237 1 9 . 1 1 125 125 GLY H H 455 8.255 8.255 8.401 -0.146 17742 6238 1 9 . 1 1 126 126 TRP N N 456 122.405 122.405 121.131 1.274 17742 6239 1 9 . 1 1 126 126 TRP HA H 456 4.929 4.929 5.215 -0.286 17742 6240 1 9 . 1 1 126 126 TRP CA C 456 55.029 55.029 52.882 2.147 17742 6241 1 9 . 1 1 126 126 TRP CB C 456 29.383 29.383 29.172 0.211 17742 6242 1 9 . 1 1 126 126 TRP H H 456 7.906 7.906 7.791 0.115 17742 6243 1 9 . 1 1 127 127 PRO HA H 457 4.429 4.429 4.648 -0.219 17742 6244 1 9 . 1 1 127 127 PRO C C 457 175.951 175.951 177.004 -1.053 17742 6245 1 9 . 1 1 127 127 PRO CA C 457 63.558 63.558 61.952 1.606 17742 6246 1 9 . 1 1 127 127 PRO CB C 457 31.932 31.932 33.059 -1.127 17742 6247 1 10 . 1 1 5 5 ARG N N 335 123.607 123.607 119.614 3.993 17742 6248 1 10 . 1 1 5 5 ARG HA H 335 4.382 4.382 4.897 -0.515 17742 6249 1 10 . 1 1 5 5 ARG CA C 335 56.926 56.926 53.942 2.984 17742 6250 1 10 . 1 1 5 5 ARG H H 335 9.161 9.161 8.229 0.932 17742 6251 1 10 . 1 1 6 6 LEU N N 336 122.412 122.412 113.936 8.476 17742 6252 1 10 . 1 1 6 6 LEU CB C 336 42.172 42.172 40.922 1.250 17742 6253 1 10 . 1 1 6 6 LEU H H 336 8.775 8.775 8.425 0.350 17742 6254 1 10 . 1 1 7 7 LEU HA H 337 3.669 3.669 4.307 -0.638 17742 6255 1 10 . 1 1 7 7 LEU CA C 337 59.053 59.053 58.743 0.310 17742 6256 1 10 . 1 1 7 7 LEU CB C 337 40.447 40.447 42.121 -1.674 17742 6257 1 10 . 1 1 8 8 TRP N N 338 114.197 114.197 117.243 -3.046 17742 6258 1 10 . 1 1 8 8 TRP HA H 338 3.747 3.747 4.575 -0.828 17742 6259 1 10 . 1 1 8 8 TRP CA C 338 60.071 60.071 59.400 0.671 17742 6260 1 10 . 1 1 8 8 TRP CB C 338 28.481 28.481 28.348 0.133 17742 6261 1 10 . 1 1 8 8 TRP H H 338 7.595 7.595 7.567 0.028 17742 6262 1 10 . 1 1 9 9 ASP HA H 339 3.648 3.648 4.530 -0.882 17742 6263 1 10 . 1 1 9 9 ASP C C 339 177.491 177.491 177.470 0.021 17742 6264 1 10 . 1 1 9 9 ASP CA C 339 56.197 56.197 56.998 -0.801 17742 6265 1 10 . 1 1 9 9 ASP CB C 339 41.702 41.702 40.242 1.460 17742 6266 1 10 . 1 1 10 10 TYR N N 340 120.786 120.786 120.572 0.214 17742 6267 1 10 . 1 1 10 10 TYR HA H 340 3.851 3.851 4.013 -0.163 17742 6268 1 10 . 1 1 10 10 TYR C C 340 177.016 177.016 177.337 -0.321 17742 6269 1 10 . 1 1 10 10 TYR CA C 340 61.921 61.921 60.881 1.040 17742 6270 1 10 . 1 1 10 10 TYR CB C 340 39.202 39.202 38.291 0.911 17742 6271 1 10 . 1 1 10 10 TYR H H 340 7.929 7.929 7.885 0.044 17742 6272 1 10 . 1 1 11 11 VAL N N 341 114.828 114.828 119.107 -4.279 17742 6273 1 10 . 1 1 11 11 VAL HA H 341 2.982 2.982 3.586 -0.604 17742 6274 1 10 . 1 1 11 11 VAL C C 341 176.795 176.795 177.264 -0.469 17742 6275 1 10 . 1 1 11 11 VAL CA C 341 66.855 66.855 65.989 0.866 17742 6276 1 10 . 1 1 11 11 VAL CB C 341 31.152 31.152 31.452 -0.300 17742 6277 1 10 . 1 1 11 11 VAL H H 341 8.291 8.291 8.603 -0.312 17742 6278 1 10 . 1 1 12 12 TYR N N 342 119.177 119.177 120.407 -1.230 17742 6279 1 10 . 1 1 12 12 TYR HA H 342 3.617 3.617 3.810 -0.193 17742 6280 1 10 . 1 1 12 12 TYR C C 342 178.765 178.765 177.686 1.079 17742 6281 1 10 . 1 1 12 12 TYR CA C 342 62.960 62.960 61.450 1.510 17742 6282 1 10 . 1 1 12 12 TYR CB C 342 38.232 38.232 38.297 -0.065 17742 6283 1 10 . 1 1 12 12 TYR H H 342 7.712 7.712 7.823 -0.111 17742 6284 1 10 . 1 1 13 13 GLN N N 343 118.873 118.873 119.441 -0.568 17742 6285 1 10 . 1 1 13 13 GLN HA H 343 3.833 3.833 4.010 -0.177 17742 6286 1 10 . 1 1 13 13 GLN C C 343 179.917 179.917 178.366 1.551 17742 6287 1 10 . 1 1 13 13 GLN CA C 343 58.821 58.821 58.316 0.505 17742 6288 1 10 . 1 1 13 13 GLN CB C 343 27.649 27.649 28.602 -0.953 17742 6289 1 10 . 1 1 13 13 GLN H H 343 8.076 8.076 8.070 0.006 17742 6290 1 10 . 1 1 14 14 LEU N N 344 121.381 121.381 120.313 1.068 17742 6291 1 10 . 1 1 14 14 LEU HA H 344 3.611 3.611 3.753 -0.142 17742 6292 1 10 . 1 1 14 14 LEU C C 344 179.861 179.861 179.304 0.557 17742 6293 1 10 . 1 1 14 14 LEU CA C 344 58.121 58.121 57.332 0.789 17742 6294 1 10 . 1 1 14 14 LEU CB C 344 41.382 41.382 41.422 -0.040 17742 6295 1 10 . 1 1 14 14 LEU H H 344 7.772 7.772 7.816 -0.044 17742 6296 1 10 . 1 1 15 15 LEU N N 345 116.801 116.801 116.785 0.016 17742 6297 1 10 . 1 1 15 15 LEU HA H 345 3.513 3.513 3.930 -0.417 17742 6298 1 10 . 1 1 15 15 LEU C C 345 178.221 178.221 177.354 0.867 17742 6299 1 10 . 1 1 15 15 LEU CA C 345 56.568 56.568 56.914 -0.346 17742 6300 1 10 . 1 1 15 15 LEU CB C 345 41.431 41.431 41.176 0.255 17742 6301 1 10 . 1 1 15 15 LEU H H 345 7.546 7.546 7.448 0.098 17742 6302 1 10 . 1 1 16 16 SER N N 346 112.511 112.511 109.094 3.417 17742 6303 1 10 . 1 1 16 16 SER HA H 346 4.542 4.542 4.554 -0.012 17742 6304 1 10 . 1 1 16 16 SER C C 346 172.510 172.510 174.123 -1.613 17742 6305 1 10 . 1 1 16 16 SER CA C 346 58.891 58.891 57.723 1.168 17742 6306 1 10 . 1 1 16 16 SER CB C 346 63.993 63.993 63.365 0.628 17742 6307 1 10 . 1 1 16 16 SER H H 346 7.277 7.277 7.291 -0.014 17742 6308 1 10 . 1 1 17 17 ASP N N 347 122.234 122.234 121.970 0.264 17742 6309 1 10 . 1 1 17 17 ASP HA H 347 4.969 4.969 4.928 0.041 17742 6310 1 10 . 1 1 17 17 ASP C C 347 175.703 175.703 176.096 -0.393 17742 6311 1 10 . 1 1 17 17 ASP CA C 347 52.761 52.761 53.593 -0.832 17742 6312 1 10 . 1 1 17 17 ASP CB C 347 43.427 43.427 44.239 -0.812 17742 6313 1 10 . 1 1 17 17 ASP H H 347 7.353 7.353 7.703 -0.350 17742 6314 1 10 . 1 1 18 18 SER N N 348 120.139 120.139 120.715 -0.576 17742 6315 1 10 . 1 1 18 18 SER HA H 348 4.371 4.371 4.348 0.023 17742 6316 1 10 . 1 1 18 18 SER C C 348 176.259 176.259 175.926 0.333 17742 6317 1 10 . 1 1 18 18 SER CA C 348 61.131 61.131 59.863 1.268 17742 6318 1 10 . 1 1 18 18 SER CB C 348 63.177 63.177 62.913 0.265 17742 6319 1 10 . 1 1 18 18 SER H H 348 8.691 8.691 8.874 -0.183 17742 6320 1 10 . 1 1 19 19 ARG N N 349 122.716 122.716 122.574 0.142 17742 6321 1 10 . 1 1 19 19 ARG HA H 349 4.114 4.114 3.908 0.206 17742 6322 1 10 . 1 1 19 19 ARG C C 349 178.154 178.154 177.310 0.844 17742 6323 1 10 . 1 1 19 19 ARG CA C 349 58.531 58.531 58.452 0.079 17742 6324 1 10 . 1 1 19 19 ARG CB C 349 29.794 29.794 29.713 0.081 17742 6325 1 10 . 1 1 19 19 ARG H H 349 8.586 8.586 7.311 1.275 17742 6326 1 10 . 1 1 20 20 TYR N N 350 116.201 116.201 115.976 0.225 17742 6327 1 10 . 1 1 20 20 TYR HA H 350 4.883 4.883 4.781 0.102 17742 6328 1 10 . 1 1 20 20 TYR C C 350 177.029 177.029 175.841 1.188 17742 6329 1 10 . 1 1 20 20 TYR CA C 350 58.741 58.741 55.702 3.039 17742 6330 1 10 . 1 1 20 20 TYR CB C 350 37.642 37.642 36.770 0.872 17742 6331 1 10 . 1 1 20 20 TYR H H 350 8.291 8.291 7.251 1.040 17742 6332 1 10 . 1 1 21 21 GLU N N 351 120.803 120.803 122.188 -1.385 17742 6333 1 10 . 1 1 21 21 GLU HA H 351 4.466 4.466 4.287 0.179 17742 6334 1 10 . 1 1 21 21 GLU C C 351 176.324 176.324 177.960 -1.636 17742 6335 1 10 . 1 1 21 21 GLU CA C 351 59.132 59.132 58.915 0.217 17742 6336 1 10 . 1 1 21 21 GLU CB C 351 29.864 29.864 28.835 1.029 17742 6337 1 10 . 1 1 21 21 GLU H H 351 7.513 7.513 7.911 -0.398 17742 6338 1 10 . 1 1 22 22 ASN N N 352 114.531 114.531 116.531 -2.000 17742 6339 1 10 . 1 1 22 22 ASN HA H 352 4.492 4.492 4.615 -0.123 17742 6340 1 10 . 1 1 22 22 ASN C C 352 174.497 174.497 175.606 -1.109 17742 6341 1 10 . 1 1 22 22 ASN CA C 352 54.122 54.122 54.496 -0.374 17742 6342 1 10 . 1 1 22 22 ASN CB C 352 36.935 36.935 38.779 -1.844 17742 6343 1 10 . 1 1 22 22 ASN H H 352 8.649 8.649 8.621 0.028 17742 6344 1 10 . 1 1 23 23 PHE N N 353 115.501 115.501 116.145 -0.644 17742 6345 1 10 . 1 1 23 23 PHE HA H 353 4.751 4.751 4.551 0.200 17742 6346 1 10 . 1 1 23 23 PHE C C 353 176.442 176.442 175.408 1.034 17742 6347 1 10 . 1 1 23 23 PHE CB C 353 41.502 41.502 41.328 0.174 17742 6348 1 10 . 1 1 23 23 PHE H H 353 8.555 8.555 7.962 0.593 17742 6349 1 10 . 1 1 24 24 ILE N N 354 120.734 120.734 117.534 3.200 17742 6350 1 10 . 1 1 24 24 ILE HA H 354 5.059 5.059 4.986 0.073 17742 6351 1 10 . 1 1 24 24 ILE C C 354 179.332 179.332 173.090 6.242 17742 6352 1 10 . 1 1 24 24 ILE CA C 354 59.831 59.831 60.268 -0.437 17742 6353 1 10 . 1 1 24 24 ILE CB C 354 40.623 40.623 42.120 -1.497 17742 6354 1 10 . 1 1 24 24 ILE H H 354 8.428 8.428 8.765 -0.337 17742 6355 1 10 . 1 1 25 25 ARG N N 355 121.187 121.187 121.736 -0.549 17742 6356 1 10 . 1 1 25 25 ARG HA H 355 4.904 4.904 4.877 0.027 17742 6357 1 10 . 1 1 25 25 ARG C C 355 175.152 175.152 174.037 1.115 17742 6358 1 10 . 1 1 25 25 ARG CA C 355 54.529 54.529 54.519 0.010 17742 6359 1 10 . 1 1 25 25 ARG CB C 355 33.599 33.599 33.565 0.034 17742 6360 1 10 . 1 1 25 25 ARG H H 355 8.671 8.671 8.958 -0.287 17742 6361 1 10 . 1 1 26 26 TRP N N 356 122.024 122.024 123.222 -1.198 17742 6362 1 10 . 1 1 26 26 TRP HA H 356 4.884 4.884 4.718 0.166 17742 6363 1 10 . 1 1 26 26 TRP C C 356 176.642 176.642 176.605 0.037 17742 6364 1 10 . 1 1 26 26 TRP CA C 356 57.960 57.960 57.885 0.075 17742 6365 1 10 . 1 1 26 26 TRP CB C 356 30.634 30.634 29.670 0.964 17742 6366 1 10 . 1 1 26 26 TRP H H 356 9.159 9.159 8.961 0.198 17742 6367 1 10 . 1 1 27 27 GLU N N 357 125.331 125.331 124.298 1.033 17742 6368 1 10 . 1 1 27 27 GLU HA H 357 4.681 4.681 4.440 0.241 17742 6369 1 10 . 1 1 27 27 GLU C C 357 176.775 176.775 176.735 0.040 17742 6370 1 10 . 1 1 27 27 GLU CA C 357 56.990 56.990 57.892 -0.901 17742 6371 1 10 . 1 1 27 27 GLU CB C 357 31.579 31.579 30.717 0.862 17742 6372 1 10 . 1 1 27 27 GLU H H 357 9.504 9.504 8.751 0.753 17742 6373 1 10 . 1 1 28 28 ASP N N 358 116.213 116.213 121.009 -4.796 17742 6374 1 10 . 1 1 28 28 ASP HA H 358 4.771 4.771 5.004 -0.233 17742 6375 1 10 . 1 1 28 28 ASP C C 358 176.167 176.167 175.341 0.826 17742 6376 1 10 . 1 1 28 28 ASP CA C 358 53.541 53.541 53.911 -0.370 17742 6377 1 10 . 1 1 28 28 ASP CB C 358 41.932 41.932 41.663 0.269 17742 6378 1 10 . 1 1 28 28 ASP H H 358 7.846 7.846 8.767 -0.921 17742 6379 1 10 . 1 1 29 29 LYS N N 359 127.762 127.762 124.355 3.407 17742 6380 1 10 . 1 1 29 29 LYS HA H 359 3.157 3.157 3.010 0.147 17742 6381 1 10 . 1 1 29 29 LYS C C 359 178.776 178.776 177.804 0.972 17742 6382 1 10 . 1 1 29 29 LYS CA C 359 60.229 60.229 59.421 0.808 17742 6383 1 10 . 1 1 29 29 LYS CB C 359 32.734 32.734 32.106 0.628 17742 6384 1 10 . 1 1 29 29 LYS H H 359 9.216 9.216 8.642 0.574 17742 6385 1 10 . 1 1 30 30 GLU N N 360 119.601 119.601 117.717 1.884 17742 6386 1 10 . 1 1 30 30 GLU HA H 360 3.925 3.925 3.942 -0.017 17742 6387 1 10 . 1 1 30 30 GLU C C 360 178.684 178.684 177.443 1.241 17742 6388 1 10 . 1 1 30 30 GLU CA C 360 59.570 59.570 59.017 0.553 17742 6389 1 10 . 1 1 30 30 GLU CB C 360 29.177 29.177 29.465 -0.288 17742 6390 1 10 . 1 1 30 30 GLU H H 360 8.340 8.340 8.332 0.008 17742 6391 1 10 . 1 1 31 31 SER N N 361 113.301 113.301 113.612 -0.311 17742 6392 1 10 . 1 1 31 31 SER HA H 361 4.494 4.494 4.387 0.107 17742 6393 1 10 . 1 1 31 31 SER C C 361 172.357 172.357 174.614 -2.257 17742 6394 1 10 . 1 1 31 31 SER CA C 361 58.807 58.807 59.568 -0.761 17742 6395 1 10 . 1 1 31 31 SER CB C 361 63.768 63.768 63.142 0.626 17742 6396 1 10 . 1 1 31 31 SER H H 361 7.463 7.463 8.204 -0.741 17742 6397 1 10 . 1 1 32 32 LYS N N 362 115.170 115.170 113.533 1.637 17742 6398 1 10 . 1 1 32 32 LYS HA H 362 3.910 3.910 4.285 -0.374 17742 6399 1 10 . 1 1 32 32 LYS C C 362 175.500 175.500 175.411 0.089 17742 6400 1 10 . 1 1 32 32 LYS CA C 362 57.630 57.630 56.948 0.682 17742 6401 1 10 . 1 1 32 32 LYS CB C 362 29.801 29.801 29.953 -0.152 17742 6402 1 10 . 1 1 32 32 LYS H H 362 7.752 7.752 7.928 -0.176 17742 6403 1 10 . 1 1 33 33 ILE N N 363 118.274 118.274 121.217 -2.943 17742 6404 1 10 . 1 1 33 33 ILE HA H 363 5.375 5.375 5.112 0.263 17742 6405 1 10 . 1 1 33 33 ILE C C 363 177.068 177.068 175.782 1.286 17742 6406 1 10 . 1 1 33 33 ILE CA C 363 60.428 60.428 60.432 -0.004 17742 6407 1 10 . 1 1 33 33 ILE CB C 363 40.206 40.206 37.862 2.344 17742 6408 1 10 . 1 1 33 33 ILE H H 363 8.262 8.262 8.221 0.041 17742 6409 1 10 . 1 1 34 34 PHE N N 364 128.285 128.285 126.485 1.800 17742 6410 1 10 . 1 1 34 34 PHE HA H 364 5.566 5.566 5.343 0.223 17742 6411 1 10 . 1 1 34 34 PHE C C 364 179.560 179.560 173.029 6.531 17742 6412 1 10 . 1 1 34 34 PHE CA C 364 55.080 55.080 55.225 -0.145 17742 6413 1 10 . 1 1 34 34 PHE CB C 364 44.097 44.097 42.688 1.409 17742 6414 1 10 . 1 1 34 34 PHE H H 364 9.936 9.936 9.317 0.619 17742 6415 1 10 . 1 1 35 35 ARG N N 365 120.953 120.953 123.421 -2.468 17742 6416 1 10 . 1 1 35 35 ARG HA H 365 5.484 5.484 4.604 0.880 17742 6417 1 10 . 1 1 35 35 ARG C C 365 176.522 176.522 174.553 1.969 17742 6418 1 10 . 1 1 35 35 ARG CA C 365 53.584 53.584 53.556 0.028 17742 6419 1 10 . 1 1 35 35 ARG CB C 365 36.439 36.439 33.726 2.713 17742 6420 1 10 . 1 1 35 35 ARG H H 365 9.430 9.430 9.129 0.301 17742 6421 1 10 . 1 1 36 36 ILE N N 366 125.455 125.455 127.446 -1.991 17742 6422 1 10 . 1 1 36 36 ILE HA H 366 4.201 4.201 4.085 0.116 17742 6423 1 10 . 1 1 36 36 ILE C C 366 173.923 173.923 175.274 -1.351 17742 6424 1 10 . 1 1 36 36 ILE CA C 366 63.110 63.110 62.098 1.012 17742 6425 1 10 . 1 1 36 36 ILE CB C 366 37.964 37.964 37.576 0.388 17742 6426 1 10 . 1 1 36 36 ILE H H 366 8.639 8.639 8.170 0.469 17742 6427 1 10 . 1 1 37 37 VAL N N 367 129.251 129.251 128.619 0.632 17742 6428 1 10 . 1 1 37 37 VAL HA H 367 3.674 3.674 3.839 -0.165 17742 6429 1 10 . 1 1 37 37 VAL C C 367 175.948 175.948 175.908 0.040 17742 6430 1 10 . 1 1 37 37 VAL CA C 367 64.171 64.171 65.021 -0.850 17742 6431 1 10 . 1 1 37 37 VAL CB C 367 32.870 32.870 32.562 0.308 17742 6432 1 10 . 1 1 37 37 VAL H H 367 7.839 7.839 8.639 -0.800 17742 6433 1 10 . 1 1 38 38 ASP N N 368 114.991 114.991 119.153 -4.162 17742 6434 1 10 . 1 1 38 38 ASP HA H 368 5.213 5.213 5.034 0.179 17742 6435 1 10 . 1 1 38 38 ASP CA C 368 50.242 50.242 50.525 -0.283 17742 6436 1 10 . 1 1 38 38 ASP CB C 368 42.169 42.169 41.712 0.457 17742 6437 1 10 . 1 1 38 38 ASP H H 368 7.279 7.279 7.920 -0.641 17742 6438 1 10 . 1 1 39 39 PRO HA H 369 3.794 3.794 4.395 -0.601 17742 6439 1 10 . 1 1 39 39 PRO C C 369 178.037 178.037 178.116 -0.079 17742 6440 1 10 . 1 1 39 39 PRO CA C 369 65.619 65.619 65.745 -0.126 17742 6441 1 10 . 1 1 39 39 PRO CB C 369 31.057 31.057 31.865 -0.808 17742 6442 1 10 . 1 1 40 40 ASN N N 370 115.439 115.439 116.734 -1.295 17742 6443 1 10 . 1 1 40 40 ASN HA H 370 4.596 4.596 4.705 -0.109 17742 6444 1 10 . 1 1 40 40 ASN C C 370 178.570 178.570 177.836 0.734 17742 6445 1 10 . 1 1 40 40 ASN CA C 370 56.501 56.501 55.816 0.686 17742 6446 1 10 . 1 1 40 40 ASN CB C 370 38.012 38.012 37.840 0.173 17742 6447 1 10 . 1 1 40 40 ASN H H 370 8.121 8.121 8.504 -0.383 17742 6448 1 10 . 1 1 41 41 GLY N N 371 111.317 111.317 108.854 2.463 17742 6449 1 10 . 1 1 41 41 GLY C C 371 176.090 176.090 176.677 -0.587 17742 6450 1 10 . 1 1 41 41 GLY CA C 371 47.932 47.932 46.967 0.965 17742 6451 1 10 . 1 1 41 41 GLY H H 371 8.622 8.622 8.662 -0.040 17742 6452 1 10 . 1 1 42 42 LEU N N 372 122.892 122.892 123.841 -0.949 17742 6453 1 10 . 1 1 42 42 LEU HA H 372 4.031 4.031 4.338 -0.307 17742 6454 1 10 . 1 1 42 42 LEU C C 372 177.766 177.766 178.837 -1.071 17742 6455 1 10 . 1 1 42 42 LEU CA C 372 57.830 57.830 57.862 -0.032 17742 6456 1 10 . 1 1 42 42 LEU CB C 372 42.132 42.132 41.355 0.777 17742 6457 1 10 . 1 1 42 42 LEU H H 372 8.881 8.881 8.647 0.234 17742 6458 1 10 . 1 1 43 43 ALA N N 373 120.112 120.112 121.403 -1.291 17742 6459 1 10 . 1 1 43 43 ALA HA H 373 4.458 4.458 4.194 0.264 17742 6460 1 10 . 1 1 43 43 ALA C C 373 179.093 179.093 180.012 -0.919 17742 6461 1 10 . 1 1 43 43 ALA CA C 373 55.451 55.451 55.277 0.174 17742 6462 1 10 . 1 1 43 43 ALA CB C 373 18.324 18.324 18.518 -0.194 17742 6463 1 10 . 1 1 43 43 ALA H H 373 8.072 8.072 8.581 -0.509 17742 6464 1 10 . 1 1 44 44 ARG N N 374 117.916 117.916 119.022 -1.106 17742 6465 1 10 . 1 1 44 44 ARG HA H 374 4.093 4.093 4.117 -0.024 17742 6466 1 10 . 1 1 44 44 ARG C C 374 179.473 179.473 179.130 0.343 17742 6467 1 10 . 1 1 44 44 ARG CA C 374 59.372 59.372 58.754 0.618 17742 6468 1 10 . 1 1 44 44 ARG CB C 374 30.114 30.114 29.879 0.235 17742 6469 1 10 . 1 1 44 44 ARG H H 374 7.769 7.769 8.087 -0.318 17742 6470 1 10 . 1 1 45 45 LEU N N 375 121.489 121.489 119.545 1.944 17742 6471 1 10 . 1 1 45 45 LEU HA H 375 4.007 4.007 4.073 -0.066 17742 6472 1 10 . 1 1 45 45 LEU C C 375 180.049 180.049 179.337 0.712 17742 6473 1 10 . 1 1 45 45 LEU CA C 375 58.390 58.390 57.892 0.498 17742 6474 1 10 . 1 1 45 45 LEU CB C 375 41.552 41.552 41.773 -0.221 17742 6475 1 10 . 1 1 45 45 LEU H H 375 7.903 7.903 8.507 -0.604 17742 6476 1 10 . 1 1 46 46 TRP N N 376 121.466 121.466 120.918 0.548 17742 6477 1 10 . 1 1 46 46 TRP HA H 376 4.089 4.089 3.543 0.546 17742 6478 1 10 . 1 1 46 46 TRP C C 376 177.939 177.939 178.245 -0.306 17742 6479 1 10 . 1 1 46 46 TRP CA C 376 60.022 60.022 60.368 -0.346 17742 6480 1 10 . 1 1 46 46 TRP CB C 376 28.817 28.817 28.959 -0.142 17742 6481 1 10 . 1 1 46 46 TRP H H 376 8.633 8.633 8.801 -0.168 17742 6482 1 10 . 1 1 47 47 GLY N N 377 105.142 105.142 104.838 0.304 17742 6483 1 10 . 1 1 47 47 GLY C C 377 176.128 176.128 175.540 0.588 17742 6484 1 10 . 1 1 47 47 GLY CA C 377 48.035 48.035 46.740 1.294 17742 6485 1 10 . 1 1 47 47 GLY H H 377 8.828 8.828 8.420 0.408 17742 6486 1 10 . 1 1 48 48 ASN N N 378 120.327 120.327 118.798 1.529 17742 6487 1 10 . 1 1 48 48 ASN HA H 378 4.402 4.402 4.421 -0.019 17742 6488 1 10 . 1 1 48 48 ASN C C 378 178.625 178.625 176.241 2.384 17742 6489 1 10 . 1 1 48 48 ASN CA C 378 56.231 56.231 55.128 1.103 17742 6490 1 10 . 1 1 48 48 ASN CB C 378 38.132 38.132 38.313 -0.181 17742 6491 1 10 . 1 1 48 48 ASN H H 378 8.212 8.212 7.707 0.505 17742 6492 1 10 . 1 1 49 49 HIS N N 379 121.871 121.871 117.717 4.154 17742 6493 1 10 . 1 1 49 49 HIS HA H 379 4.205 4.205 4.323 -0.118 17742 6494 1 10 . 1 1 49 49 HIS C C 379 176.086 176.086 176.098 -0.012 17742 6495 1 10 . 1 1 49 49 HIS CA C 379 59.390 59.390 58.053 1.337 17742 6496 1 10 . 1 1 49 49 HIS CB C 379 29.564 29.564 29.653 -0.089 17742 6497 1 10 . 1 1 49 49 HIS H H 379 8.094 8.094 7.104 0.990 17742 6498 1 10 . 1 1 50 50 LYS N N 380 115.181 115.181 116.041 -0.860 17742 6499 1 10 . 1 1 50 50 LYS HA H 380 3.911 3.911 4.167 -0.256 17742 6500 1 10 . 1 1 50 50 LYS C C 380 175.348 175.348 175.496 -0.148 17742 6501 1 10 . 1 1 50 50 LYS CA C 380 53.632 53.632 54.386 -0.754 17742 6502 1 10 . 1 1 50 50 LYS CB C 380 30.742 30.742 32.692 -1.950 17742 6503 1 10 . 1 1 50 50 LYS H H 380 7.482 7.482 7.173 0.309 17742 6504 1 10 . 1 1 51 51 ASN N N 381 116.362 116.362 117.292 -0.930 17742 6505 1 10 . 1 1 51 51 ASN HA H 381 4.259 4.259 4.191 0.068 17742 6506 1 10 . 1 1 51 51 ASN C C 381 174.400 174.400 174.423 -0.023 17742 6507 1 10 . 1 1 51 51 ASN CA C 381 54.312 54.312 54.089 0.223 17742 6508 1 10 . 1 1 51 51 ASN CB C 381 37.272 37.272 37.613 -0.341 17742 6509 1 10 . 1 1 51 51 ASN H H 381 7.753 7.753 7.781 -0.028 17742 6510 1 10 . 1 1 52 52 ARG N N 382 117.723 117.723 118.290 -0.567 17742 6511 1 10 . 1 1 52 52 ARG HA H 382 4.658 4.658 4.459 0.199 17742 6512 1 10 . 1 1 52 52 ARG C C 382 176.209 176.209 176.675 -0.466 17742 6513 1 10 . 1 1 52 52 ARG CA C 382 53.668 53.668 55.452 -1.784 17742 6514 1 10 . 1 1 52 52 ARG CB C 382 32.212 32.212 30.607 1.605 17742 6515 1 10 . 1 1 52 52 ARG H H 382 8.476 8.476 7.813 0.663 17742 6516 1 10 . 1 1 53 53 THR N N 383 114.109 114.109 112.808 1.301 17742 6517 1 10 . 1 1 53 53 THR HA H 383 4.221 4.221 4.172 0.049 17742 6518 1 10 . 1 1 53 53 THR C C 383 174.644 174.644 175.023 -0.379 17742 6519 1 10 . 1 1 53 53 THR CA C 383 62.187 62.187 63.470 -1.283 17742 6520 1 10 . 1 1 53 53 THR CB C 383 69.710 69.710 69.069 0.641 17742 6521 1 10 . 1 1 53 53 THR H H 383 8.333 8.333 8.389 -0.056 17742 6522 1 10 . 1 1 54 54 ASN N N 384 118.768 118.768 119.908 -1.140 17742 6523 1 10 . 1 1 54 54 ASN HA H 384 4.609 4.609 4.931 -0.322 17742 6524 1 10 . 1 1 54 54 ASN C C 384 174.975 174.975 173.246 1.729 17742 6525 1 10 . 1 1 54 54 ASN CA C 384 53.193 53.193 52.873 0.320 17742 6526 1 10 . 1 1 54 54 ASN CB C 384 37.632 37.632 40.681 -3.049 17742 6527 1 10 . 1 1 54 54 ASN H H 384 8.521 8.521 8.428 0.093 17742 6528 1 10 . 1 1 55 55 MET N N 385 119.621 119.621 122.059 -2.438 17742 6529 1 10 . 1 1 55 55 MET HA H 385 4.566 4.566 4.769 -0.203 17742 6530 1 10 . 1 1 55 55 MET C C 385 175.078 175.078 175.632 -0.554 17742 6531 1 10 . 1 1 55 55 MET CA C 385 55.298 55.298 55.153 0.145 17742 6532 1 10 . 1 1 55 55 MET CB C 385 31.244 31.244 34.160 -2.916 17742 6533 1 10 . 1 1 55 55 MET H H 385 8.162 8.162 8.194 -0.033 17742 6534 1 10 . 1 1 56 56 THR N N 386 113.114 113.114 119.113 -5.999 17742 6535 1 10 . 1 1 56 56 THR HA H 386 4.824 4.824 4.881 -0.057 17742 6536 1 10 . 1 1 56 56 THR C C 386 175.549 175.549 175.314 0.235 17742 6537 1 10 . 1 1 56 56 THR CA C 386 59.060 59.060 60.533 -1.473 17742 6538 1 10 . 1 1 56 56 THR CB C 386 72.290 72.290 71.362 0.928 17742 6539 1 10 . 1 1 56 56 THR H H 386 7.031 7.031 7.917 -0.886 17742 6540 1 10 . 1 1 57 57 TYR N N 387 123.401 123.401 125.809 -2.408 17742 6541 1 10 . 1 1 57 57 TYR HA H 387 4.134 4.134 4.124 0.010 17742 6542 1 10 . 1 1 57 57 TYR C C 387 177.304 177.304 176.972 0.332 17742 6543 1 10 . 1 1 57 57 TYR CA C 387 62.300 62.300 62.965 -0.665 17742 6544 1 10 . 1 1 57 57 TYR CB C 387 37.359 37.359 38.716 -1.357 17742 6545 1 10 . 1 1 57 57 TYR H H 387 9.691 9.691 9.139 0.552 17742 6546 1 10 . 1 1 58 58 GLU N N 388 120.999 120.999 116.651 4.348 17742 6547 1 10 . 1 1 58 58 GLU HA H 388 3.823 3.823 4.048 -0.225 17742 6548 1 10 . 1 1 58 58 GLU C C 388 179.213 179.213 179.289 -0.076 17742 6549 1 10 . 1 1 58 58 GLU CA C 388 60.477 60.477 60.100 0.377 17742 6550 1 10 . 1 1 58 58 GLU CB C 388 28.895 28.895 28.425 0.470 17742 6551 1 10 . 1 1 58 58 GLU H H 388 8.838 8.838 9.196 -0.358 17742 6552 1 10 . 1 1 59 59 LYS N N 389 118.962 118.962 118.491 0.471 17742 6553 1 10 . 1 1 59 59 LYS HA H 389 3.939 3.939 4.103 -0.164 17742 6554 1 10 . 1 1 59 59 LYS C C 389 178.797 178.797 179.551 -0.754 17742 6555 1 10 . 1 1 59 59 LYS CA C 389 60.065 60.065 59.141 0.924 17742 6556 1 10 . 1 1 59 59 LYS CB C 389 33.378 33.378 32.417 0.961 17742 6557 1 10 . 1 1 59 59 LYS H H 389 7.506 7.506 7.701 -0.195 17742 6558 1 10 . 1 1 60 60 MET N N 390 120.087 120.087 120.641 -0.554 17742 6559 1 10 . 1 1 60 60 MET HA H 390 3.869 3.869 4.263 -0.394 17742 6560 1 10 . 1 1 60 60 MET C C 390 178.146 178.146 177.427 0.719 17742 6561 1 10 . 1 1 60 60 MET CA C 390 59.776 59.776 58.641 1.135 17742 6562 1 10 . 1 1 60 60 MET CB C 390 33.462 33.462 32.374 1.088 17742 6563 1 10 . 1 1 60 60 MET H H 390 8.051 8.051 8.361 -0.310 17742 6564 1 10 . 1 1 61 61 SER N N 391 114.537 114.537 115.258 -0.721 17742 6565 1 10 . 1 1 61 61 SER HA H 391 3.786 3.786 3.823 -0.037 17742 6566 1 10 . 1 1 61 61 SER C C 391 176.380 176.380 176.274 0.106 17742 6567 1 10 . 1 1 61 61 SER CA C 391 61.600 61.600 61.292 0.308 17742 6568 1 10 . 1 1 61 61 SER CB C 391 62.251 62.251 62.625 -0.374 17742 6569 1 10 . 1 1 61 61 SER H H 391 8.853 8.853 8.563 0.290 17742 6570 1 10 . 1 1 62 62 ARG N N 392 122.214 122.214 122.172 0.042 17742 6571 1 10 . 1 1 62 62 ARG HA H 392 3.928 3.928 3.974 -0.046 17742 6572 1 10 . 1 1 62 62 ARG C C 392 178.732 178.732 178.110 0.622 17742 6573 1 10 . 1 1 62 62 ARG CA C 392 59.490 59.490 59.111 0.379 17742 6574 1 10 . 1 1 62 62 ARG CB C 392 30.207 30.207 29.710 0.497 17742 6575 1 10 . 1 1 62 62 ARG H H 392 7.471 7.471 7.425 0.046 17742 6576 1 10 . 1 1 63 63 ALA N N 393 121.091 121.091 121.611 -0.520 17742 6577 1 10 . 1 1 63 63 ALA HA H 393 4.162 4.162 4.171 -0.009 17742 6578 1 10 . 1 1 63 63 ALA C C 393 179.699 179.699 178.928 0.771 17742 6579 1 10 . 1 1 63 63 ALA CA C 393 54.722 54.722 54.465 0.258 17742 6580 1 10 . 1 1 63 63 ALA CB C 393 18.154 18.154 18.165 -0.011 17742 6581 1 10 . 1 1 63 63 ALA H H 393 7.376 7.376 7.541 -0.165 17742 6582 1 10 . 1 1 64 64 LEU N N 394 117.568 117.568 117.661 -0.093 17742 6583 1 10 . 1 1 64 64 LEU HA H 394 3.777 3.777 3.137 0.640 17742 6584 1 10 . 1 1 64 64 LEU C C 394 178.085 178.085 178.617 -0.532 17742 6585 1 10 . 1 1 64 64 LEU CA C 394 58.075 58.075 56.769 1.306 17742 6586 1 10 . 1 1 64 64 LEU CB C 394 41.052 41.052 41.013 0.039 17742 6587 1 10 . 1 1 64 64 LEU H H 394 7.853 7.853 6.968 0.885 17742 6588 1 10 . 1 1 65 65 ARG N N 395 116.111 116.111 118.127 -2.016 17742 6589 1 10 . 1 1 65 65 ARG HA H 395 3.529 3.529 4.039 -0.510 17742 6590 1 10 . 1 1 65 65 ARG C C 395 179.519 179.519 179.002 0.517 17742 6591 1 10 . 1 1 65 65 ARG CA C 395 59.133 59.133 58.849 0.284 17742 6592 1 10 . 1 1 65 65 ARG CB C 395 30.004 30.004 28.974 1.030 17742 6593 1 10 . 1 1 65 65 ARG H H 395 7.521 7.521 8.124 -0.603 17742 6594 1 10 . 1 1 66 66 HIS N N 396 118.081 118.081 117.732 0.349 17742 6595 1 10 . 1 1 66 66 HIS HA H 396 4.436 4.436 4.486 -0.050 17742 6596 1 10 . 1 1 66 66 HIS C C 396 177.826 177.826 177.945 -0.119 17742 6597 1 10 . 1 1 66 66 HIS CA C 396 59.063 59.063 59.613 -0.550 17742 6598 1 10 . 1 1 66 66 HIS CB C 396 30.154 30.154 29.982 0.172 17742 6599 1 10 . 1 1 66 66 HIS H H 396 7.241 7.241 7.505 -0.264 17742 6600 1 10 . 1 1 67 67 TYR N N 397 116.301 116.301 119.148 -2.847 17742 6601 1 10 . 1 1 67 67 TYR HA H 397 4.128 4.128 4.213 -0.085 17742 6602 1 10 . 1 1 67 67 TYR C C 397 179.075 179.075 178.245 0.830 17742 6603 1 10 . 1 1 67 67 TYR CA C 397 61.525 61.525 59.339 2.186 17742 6604 1 10 . 1 1 67 67 TYR CB C 397 37.522 37.522 36.635 0.887 17742 6605 1 10 . 1 1 67 67 TYR H H 397 7.532 7.532 7.598 -0.066 17742 6606 1 10 . 1 1 68 68 TYR N N 398 121.389 121.389 117.302 4.087 17742 6607 1 10 . 1 1 68 68 TYR HA H 398 5.474 5.474 4.766 0.708 17742 6608 1 10 . 1 1 68 68 TYR C C 398 172.285 172.285 178.130 -5.845 17742 6609 1 10 . 1 1 68 68 TYR CA C 398 57.651 57.651 59.893 -2.242 17742 6610 1 10 . 1 1 68 68 TYR CB C 398 37.055 37.055 37.656 -0.601 17742 6611 1 10 . 1 1 68 68 TYR H H 398 8.061 8.061 8.012 0.049 17742 6612 1 10 . 1 1 69 69 LYS N N 399 121.098 121.098 118.117 2.981 17742 6613 1 10 . 1 1 69 69 LYS HA H 399 4.125 4.125 4.245 -0.120 17742 6614 1 10 . 1 1 69 69 LYS C C 399 178.122 178.122 177.975 0.147 17742 6615 1 10 . 1 1 69 69 LYS CA C 399 58.801 58.801 57.245 1.556 17742 6616 1 10 . 1 1 69 69 LYS CB C 399 32.242 32.242 32.163 0.079 17742 6617 1 10 . 1 1 69 69 LYS H H 399 7.799 7.799 7.714 0.085 17742 6618 1 10 . 1 1 70 70 LEU N N 400 116.117 116.117 117.930 -1.813 17742 6619 1 10 . 1 1 70 70 LEU HA H 400 4.312 4.312 4.287 0.025 17742 6620 1 10 . 1 1 70 70 LEU C C 400 175.903 175.903 176.939 -1.036 17742 6621 1 10 . 1 1 70 70 LEU CA C 400 54.642 54.642 55.403 -0.761 17742 6622 1 10 . 1 1 70 70 LEU CB C 400 42.796 42.796 41.809 0.987 17742 6623 1 10 . 1 1 70 70 LEU H H 400 7.257 7.257 8.237 -0.980 17742 6624 1 10 . 1 1 71 71 ASN N N 401 115.181 115.181 115.378 -0.197 17742 6625 1 10 . 1 1 71 71 ASN HA H 401 4.368 4.368 4.387 -0.019 17742 6626 1 10 . 1 1 71 71 ASN C C 401 173.597 173.597 175.483 -1.886 17742 6627 1 10 . 1 1 71 71 ASN CA C 401 54.622 54.622 54.303 0.319 17742 6628 1 10 . 1 1 71 71 ASN CB C 401 37.252 37.252 37.008 0.244 17742 6629 1 10 . 1 1 71 71 ASN H H 401 8.061 8.061 7.974 0.087 17742 6630 1 10 . 1 1 72 72 ILE N N 402 114.031 114.031 117.461 -3.430 17742 6631 1 10 . 1 1 72 72 ILE HA H 402 4.128 4.128 3.895 0.233 17742 6632 1 10 . 1 1 72 72 ILE C C 402 176.467 176.467 175.386 1.081 17742 6633 1 10 . 1 1 72 72 ILE CA C 402 63.720 63.720 63.843 -0.123 17742 6634 1 10 . 1 1 72 72 ILE CB C 402 40.491 40.491 39.101 1.390 17742 6635 1 10 . 1 1 72 72 ILE H H 402 8.104 8.104 8.268 -0.164 17742 6636 1 10 . 1 1 73 73 ILE N N 403 116.973 116.973 117.109 -0.136 17742 6637 1 10 . 1 1 73 73 ILE HA H 403 5.014 5.014 5.371 -0.357 17742 6638 1 10 . 1 1 73 73 ILE C C 403 174.039 174.039 174.016 0.023 17742 6639 1 10 . 1 1 73 73 ILE CA C 403 59.357 59.357 59.323 0.034 17742 6640 1 10 . 1 1 73 73 ILE CB C 403 43.362 43.362 42.203 1.159 17742 6641 1 10 . 1 1 73 73 ILE H H 403 7.099 7.099 7.391 -0.292 17742 6642 1 10 . 1 1 74 74 ARG N N 404 123.639 123.639 124.501 -0.862 17742 6643 1 10 . 1 1 74 74 ARG HA H 404 4.771 4.771 4.968 -0.197 17742 6644 1 10 . 1 1 74 74 ARG C C 404 174.917 174.917 174.114 0.803 17742 6645 1 10 . 1 1 74 74 ARG CA C 404 54.261 54.261 53.782 0.479 17742 6646 1 10 . 1 1 74 74 ARG CB C 404 34.689 34.689 33.371 1.318 17742 6647 1 10 . 1 1 74 74 ARG H H 404 8.983 8.983 8.784 0.199 17742 6648 1 10 . 1 1 75 75 LYS N N 405 125.665 125.665 122.546 3.119 17742 6649 1 10 . 1 1 75 75 LYS HA H 405 4.071 4.071 4.630 -0.559 17742 6650 1 10 . 1 1 75 75 LYS C C 405 176.525 176.525 176.485 0.040 17742 6651 1 10 . 1 1 75 75 LYS CA C 405 56.470 56.470 56.168 0.302 17742 6652 1 10 . 1 1 75 75 LYS CB C 405 32.649 32.649 33.100 -0.451 17742 6653 1 10 . 1 1 75 75 LYS H H 405 8.263 8.263 8.484 -0.221 17742 6654 1 10 . 1 1 76 76 GLU N N 406 128.072 128.072 124.628 3.444 17742 6655 1 10 . 1 1 76 76 GLU HA H 406 4.432 4.432 4.444 -0.012 17742 6656 1 10 . 1 1 76 76 GLU CA C 406 53.747 53.747 54.067 -0.320 17742 6657 1 10 . 1 1 76 76 GLU CB C 406 29.914 29.914 29.292 0.622 17742 6658 1 10 . 1 1 76 76 GLU H H 406 8.024 8.024 8.666 -0.642 17742 6659 1 10 . 1 1 77 77 PRO HA H 407 4.282 4.282 4.319 -0.037 17742 6660 1 10 . 1 1 77 77 PRO C C 407 177.719 177.719 177.674 0.045 17742 6661 1 10 . 1 1 77 77 PRO CA C 407 63.407 63.407 63.735 -0.328 17742 6662 1 10 . 1 1 77 77 PRO CB C 407 32.184 32.184 31.672 0.512 17742 6663 1 10 . 1 1 78 78 GLY N N 408 109.716 109.716 111.961 -2.245 17742 6664 1 10 . 1 1 78 78 GLY C C 408 174.053 174.053 173.947 0.106 17742 6665 1 10 . 1 1 78 78 GLY CA C 408 45.519 45.519 45.170 0.349 17742 6666 1 10 . 1 1 78 78 GLY H H 408 8.531 8.531 8.631 -0.100 17742 6667 1 10 . 1 1 79 79 GLN N N 409 116.964 116.964 117.949 -0.985 17742 6668 1 10 . 1 1 79 79 GLN HA H 409 4.488 4.488 4.647 -0.159 17742 6669 1 10 . 1 1 79 79 GLN C C 409 175.390 175.390 175.144 0.246 17742 6670 1 10 . 1 1 79 79 GLN CA C 409 54.359 54.359 54.358 0.001 17742 6671 1 10 . 1 1 79 79 GLN CB C 409 31.202 31.202 31.942 -0.740 17742 6672 1 10 . 1 1 79 79 GLN H H 409 7.559 7.559 7.740 -0.181 17742 6673 1 10 . 1 1 80 80 ARG N N 410 120.457 120.457 120.148 0.309 17742 6674 1 10 . 1 1 80 80 ARG HA H 410 4.262 4.262 4.364 -0.102 17742 6675 1 10 . 1 1 80 80 ARG C C 410 176.270 176.270 177.213 -0.943 17742 6676 1 10 . 1 1 80 80 ARG CA C 410 56.821 56.821 56.082 0.739 17742 6677 1 10 . 1 1 80 80 ARG CB C 410 31.502 31.502 29.808 1.694 17742 6678 1 10 . 1 1 80 80 ARG H H 410 8.251 8.251 8.397 -0.146 17742 6679 1 10 . 1 1 81 81 LEU N N 411 119.348 119.348 121.049 -1.701 17742 6680 1 10 . 1 1 81 81 LEU HA H 411 4.023 4.023 4.472 -0.449 17742 6681 1 10 . 1 1 81 81 LEU C C 411 173.279 173.279 175.394 -2.115 17742 6682 1 10 . 1 1 81 81 LEU CA C 411 55.030 55.030 53.756 1.274 17742 6683 1 10 . 1 1 81 81 LEU CB C 411 40.335 40.335 41.078 -0.743 17742 6684 1 10 . 1 1 81 81 LEU H H 411 8.435 8.435 8.234 0.201 17742 6685 1 10 . 1 1 82 82 LEU N N 412 119.070 119.070 121.400 -2.330 17742 6686 1 10 . 1 1 82 82 LEU HA H 412 5.013 5.013 4.350 0.663 17742 6687 1 10 . 1 1 82 82 LEU C C 412 175.361 175.361 175.706 -0.345 17742 6688 1 10 . 1 1 82 82 LEU CA C 412 53.212 53.212 53.780 -0.568 17742 6689 1 10 . 1 1 82 82 LEU CB C 412 45.471 45.471 41.549 3.922 17742 6690 1 10 . 1 1 82 82 LEU H H 412 6.751 6.751 7.381 -0.630 17742 6691 1 10 . 1 1 83 83 PHE N N 413 122.184 122.184 124.563 -2.379 17742 6692 1 10 . 1 1 83 83 PHE HA H 413 4.865 4.865 5.466 -0.601 17742 6693 1 10 . 1 1 83 83 PHE C C 413 172.849 172.849 174.590 -1.741 17742 6694 1 10 . 1 1 83 83 PHE CA C 413 55.921 55.921 54.458 1.463 17742 6695 1 10 . 1 1 83 83 PHE CB C 413 44.569 44.569 42.563 2.006 17742 6696 1 10 . 1 1 83 83 PHE H H 413 8.661 8.661 8.922 -0.261 17742 6697 1 10 . 1 1 84 84 ARG N N 414 119.461 119.461 119.388 0.073 17742 6698 1 10 . 1 1 84 84 ARG HA H 414 5.581 5.581 5.531 0.050 17742 6699 1 10 . 1 1 84 84 ARG C C 414 177.641 177.641 174.590 3.051 17742 6700 1 10 . 1 1 84 84 ARG CA C 414 54.239 54.239 55.091 -0.852 17742 6701 1 10 . 1 1 84 84 ARG CB C 414 36.198 36.198 34.632 1.566 17742 6702 1 10 . 1 1 84 84 ARG H H 414 9.098 9.098 9.057 0.041 17742 6703 1 10 . 1 1 85 85 PHE N N 415 124.274 124.274 127.253 -2.979 17742 6704 1 10 . 1 1 85 85 PHE HA H 415 5.027 5.027 5.214 -0.187 17742 6705 1 10 . 1 1 85 85 PHE C C 415 176.117 176.117 176.239 -0.122 17742 6706 1 10 . 1 1 85 85 PHE CA C 415 59.657 59.657 58.840 0.817 17742 6707 1 10 . 1 1 85 85 PHE CB C 415 40.819 40.819 39.108 1.711 17742 6708 1 10 . 1 1 85 85 PHE H H 415 8.928 8.928 9.530 -0.602 17742 6709 1 10 . 1 1 86 86 MET N N 416 121.081 121.081 122.864 -1.783 17742 6710 1 10 . 1 1 86 86 MET HA H 416 4.656 4.656 4.363 0.293 17742 6711 1 10 . 1 1 86 86 MET C C 416 176.444 176.444 176.578 -0.134 17742 6712 1 10 . 1 1 86 86 MET CA C 416 54.681 54.681 56.358 -1.677 17742 6713 1 10 . 1 1 86 86 MET CB C 416 31.698 31.698 32.642 -0.943 17742 6714 1 10 . 1 1 86 86 MET H H 416 8.676 8.676 8.646 0.030 17742 6715 1 10 . 1 1 87 87 LYS N N 417 117.772 117.772 114.078 3.694 17742 6716 1 10 . 1 1 87 87 LYS HA H 417 4.899 4.899 4.605 0.294 17742 6717 1 10 . 1 1 87 87 LYS C C 417 175.621 175.621 175.236 0.385 17742 6718 1 10 . 1 1 87 87 LYS CA C 417 54.522 54.522 54.655 -0.133 17742 6719 1 10 . 1 1 87 87 LYS CB C 417 37.905 37.905 35.549 2.356 17742 6720 1 10 . 1 1 87 87 LYS H H 417 7.624 7.624 7.398 0.226 17742 6721 1 10 . 1 1 88 88 THR N N 418 112.426 112.426 111.054 1.372 17742 6722 1 10 . 1 1 88 88 THR HA H 418 4.372 4.372 4.432 -0.060 17742 6723 1 10 . 1 1 88 88 THR CA C 418 59.786 59.786 58.630 1.156 17742 6724 1 10 . 1 1 88 88 THR CB C 418 68.040 68.040 68.803 -0.763 17742 6725 1 10 . 1 1 88 88 THR H H 418 8.787 8.787 9.050 -0.263 17742 6726 1 10 . 1 1 89 89 PRO HA H 419 3.654 3.654 3.213 0.441 17742 6727 1 10 . 1 1 89 89 PRO C C 419 177.412 177.412 178.170 -0.758 17742 6728 1 10 . 1 1 89 89 PRO CA C 419 65.712 65.712 66.875 -1.163 17742 6729 1 10 . 1 1 89 89 PRO CB C 419 31.762 31.762 31.646 0.116 17742 6730 1 10 . 1 1 90 90 ASP N N 420 114.221 114.221 116.168 -1.947 17742 6731 1 10 . 1 1 90 90 ASP HA H 420 4.224 4.224 4.298 -0.074 17742 6732 1 10 . 1 1 90 90 ASP C C 420 178.341 178.341 177.977 0.364 17742 6733 1 10 . 1 1 90 90 ASP CA C 420 56.657 56.657 57.418 -0.761 17742 6734 1 10 . 1 1 90 90 ASP CB C 420 40.642 40.642 40.470 0.172 17742 6735 1 10 . 1 1 90 90 ASP H H 420 7.958 7.958 8.780 -0.822 17742 6736 1 10 . 1 1 91 91 GLU N N 421 119.443 119.443 118.507 0.936 17742 6737 1 10 . 1 1 91 91 GLU HA H 421 4.006 4.006 4.071 -0.065 17742 6738 1 10 . 1 1 91 91 GLU C C 421 179.238 179.238 178.187 1.051 17742 6739 1 10 . 1 1 91 91 GLU CA C 421 58.458 58.458 58.592 -0.134 17742 6740 1 10 . 1 1 91 91 GLU CB C 421 30.774 30.774 29.759 1.014 17742 6741 1 10 . 1 1 91 91 GLU H H 421 7.628 7.628 7.504 0.124 17742 6742 1 10 . 1 1 92 92 ILE N N 422 120.617 120.617 118.729 1.888 17742 6743 1 10 . 1 1 92 92 ILE HA H 422 3.589 3.589 3.564 0.025 17742 6744 1 10 . 1 1 92 92 ILE C C 422 178.124 178.124 177.553 0.571 17742 6745 1 10 . 1 1 92 92 ILE CA C 422 63.878 63.878 64.301 -0.423 17742 6746 1 10 . 1 1 92 92 ILE CB C 422 38.142 38.142 37.859 0.283 17742 6747 1 10 . 1 1 92 92 ILE H H 422 7.896 7.896 7.447 0.450 17742 6748 1 10 . 1 1 93 93 MET N N 423 117.857 117.857 117.104 0.753 17742 6749 1 10 . 1 1 93 93 MET HA H 423 4.365 4.365 4.317 0.048 17742 6750 1 10 . 1 1 93 93 MET C C 423 177.009 177.009 176.450 0.559 17742 6751 1 10 . 1 1 93 93 MET CA C 423 56.527 56.527 57.882 -1.355 17742 6752 1 10 . 1 1 93 93 MET CB C 423 32.617 32.617 33.008 -0.391 17742 6753 1 10 . 1 1 93 93 MET H H 423 8.161 8.161 8.334 -0.173 17742 6754 1 10 . 1 1 94 94 SER N N 424 114.591 114.591 111.656 2.935 17742 6755 1 10 . 1 1 94 94 SER HA H 424 4.406 4.406 4.441 -0.035 17742 6756 1 10 . 1 1 94 94 SER C C 424 175.262 175.262 174.921 0.341 17742 6757 1 10 . 1 1 94 94 SER CA C 424 59.482 59.482 58.195 1.287 17742 6758 1 10 . 1 1 94 94 SER CB C 424 63.466 63.466 63.065 0.402 17742 6759 1 10 . 1 1 94 94 SER H H 424 7.744 7.744 7.680 0.064 17742 6760 1 10 . 1 1 95 95 GLY N N 425 109.590 109.590 110.903 -1.313 17742 6761 1 10 . 1 1 95 95 GLY C C 425 174.197 174.197 175.350 -1.153 17742 6762 1 10 . 1 1 95 95 GLY CA C 425 45.122 45.122 46.344 -1.222 17742 6763 1 10 . 1 1 95 95 GLY H H 425 7.970 7.970 8.013 -0.043 17742 6764 1 10 . 1 1 96 96 ARG N N 426 119.792 119.792 122.756 -2.964 17742 6765 1 10 . 1 1 96 96 ARG HA H 426 4.567 4.567 4.528 0.039 17742 6766 1 10 . 1 1 96 96 ARG C C 426 177.866 177.866 177.875 -0.009 17742 6767 1 10 . 1 1 96 96 ARG CA C 426 55.757 55.757 55.559 0.198 17742 6768 1 10 . 1 1 96 96 ARG CB C 426 30.059 30.059 29.671 0.389 17742 6769 1 10 . 1 1 96 96 ARG H H 426 8.144 8.144 7.940 0.204 17742 6770 1 10 . 1 1 97 97 THR N N 427 114.770 114.770 111.665 3.105 17742 6771 1 10 . 1 1 97 97 THR HA H 427 4.221 4.221 4.327 -0.106 17742 6772 1 10 . 1 1 97 97 THR C C 427 175.449 175.449 175.694 -0.245 17742 6773 1 10 . 1 1 97 97 THR CA C 427 63.411 63.411 65.484 -2.073 17742 6774 1 10 . 1 1 97 97 THR CB C 427 69.080 69.080 68.560 0.520 17742 6775 1 10 . 1 1 97 97 THR H H 427 8.427 8.427 7.715 0.712 17742 6776 1 10 . 1 1 98 98 ASP N N 428 122.017 122.017 121.511 0.506 17742 6777 1 10 . 1 1 98 98 ASP HA H 428 4.404 4.404 4.374 0.030 17742 6778 1 10 . 1 1 98 98 ASP C C 428 178.042 178.042 178.010 0.032 17742 6779 1 10 . 1 1 98 98 ASP CA C 428 56.438 56.438 57.215 -0.777 17742 6780 1 10 . 1 1 98 98 ASP CB C 428 40.012 40.012 40.284 -0.272 17742 6781 1 10 . 1 1 98 98 ASP H H 428 8.659 8.659 7.984 0.675 17742 6782 1 10 . 1 1 99 99 ARG N N 429 120.083 120.083 120.070 0.013 17742 6783 1 10 . 1 1 99 99 ARG HA H 429 4.190 4.190 4.188 0.002 17742 6784 1 10 . 1 1 99 99 ARG C C 429 178.236 178.236 178.351 -0.115 17742 6785 1 10 . 1 1 99 99 ARG CA C 429 58.307 58.307 58.653 -0.346 17742 6786 1 10 . 1 1 99 99 ARG CB C 429 30.073 30.073 30.463 -0.390 17742 6787 1 10 . 1 1 99 99 ARG H H 429 8.011 8.011 7.408 0.603 17742 6788 1 10 . 1 1 100 100 LEU N N 430 119.784 119.784 120.853 -1.069 17742 6789 1 10 . 1 1 100 100 LEU HA H 430 4.048 4.048 4.133 -0.085 17742 6790 1 10 . 1 1 100 100 LEU C C 430 178.209 178.209 178.912 -0.703 17742 6791 1 10 . 1 1 100 100 LEU CA C 430 57.535 57.535 57.968 -0.433 17742 6792 1 10 . 1 1 100 100 LEU CB C 430 42.218 42.218 41.946 0.272 17742 6793 1 10 . 1 1 100 100 LEU H H 430 7.667 7.667 7.552 0.115 17742 6794 1 10 . 1 1 101 101 GLU N N 431 119.434 119.434 117.332 2.102 17742 6795 1 10 . 1 1 101 101 GLU HA H 431 3.962 3.962 3.994 -0.032 17742 6796 1 10 . 1 1 101 101 GLU C C 431 178.773 178.773 178.837 -0.064 17742 6797 1 10 . 1 1 101 101 GLU CA C 431 59.470 59.470 59.382 0.088 17742 6798 1 10 . 1 1 101 101 GLU CB C 431 29.667 29.667 29.331 0.336 17742 6799 1 10 . 1 1 101 101 GLU H H 431 8.339 8.339 8.829 -0.490 17742 6800 1 10 . 1 1 102 102 HIS N N 432 118.026 118.026 118.541 -0.515 17742 6801 1 10 . 1 1 102 102 HIS HA H 432 4.463 4.463 4.439 0.024 17742 6802 1 10 . 1 1 102 102 HIS C C 432 177.322 177.322 177.699 -0.377 17742 6803 1 10 . 1 1 102 102 HIS CA C 432 58.432 58.432 58.876 -0.444 17742 6804 1 10 . 1 1 102 102 HIS CB C 432 29.237 29.237 30.497 -1.260 17742 6805 1 10 . 1 1 102 102 HIS H H 432 7.995 7.995 7.534 0.461 17742 6806 1 10 . 1 1 103 103 LEU N N 433 120.785 120.785 121.514 -0.729 17742 6807 1 10 . 1 1 103 103 LEU HA H 433 3.971 3.971 4.262 -0.291 17742 6808 1 10 . 1 1 103 103 LEU C C 433 179.014 179.014 178.728 0.286 17742 6809 1 10 . 1 1 103 103 LEU CA C 433 57.570 57.570 57.052 0.518 17742 6810 1 10 . 1 1 103 103 LEU CB C 433 41.606 41.606 41.366 0.240 17742 6811 1 10 . 1 1 103 103 LEU H H 433 8.077 8.077 8.122 -0.045 17742 6812 1 10 . 1 1 104 104 GLU N N 434 119.107 119.107 118.509 0.598 17742 6813 1 10 . 1 1 104 104 GLU HA H 434 4.025 4.025 4.113 -0.088 17742 6814 1 10 . 1 1 104 104 GLU C C 434 178.187 178.187 178.896 -0.709 17742 6815 1 10 . 1 1 104 104 GLU CA C 434 60.221 60.221 59.068 1.153 17742 6816 1 10 . 1 1 104 104 GLU CB C 434 30.104 30.104 29.147 0.957 17742 6817 1 10 . 1 1 104 104 GLU H H 434 8.443 8.443 8.912 -0.469 17742 6818 1 10 . 1 1 105 105 SER N N 435 114.129 114.129 112.948 1.181 17742 6819 1 10 . 1 1 105 105 SER HA H 435 4.204 4.204 4.205 -0.001 17742 6820 1 10 . 1 1 105 105 SER C C 435 175.924 175.924 175.980 -0.056 17742 6821 1 10 . 1 1 105 105 SER CA C 435 61.303 61.303 60.713 0.590 17742 6822 1 10 . 1 1 105 105 SER CB C 435 63.070 63.070 62.909 0.161 17742 6823 1 10 . 1 1 105 105 SER H H 435 8.041 8.041 8.214 -0.173 17742 6824 1 10 . 1 1 106 106 GLN N N 436 120.201 120.201 120.666 -0.465 17742 6825 1 10 . 1 1 106 106 GLN HA H 436 4.124 4.124 4.181 -0.057 17742 6826 1 10 . 1 1 106 106 GLN C C 436 178.242 178.242 177.860 0.382 17742 6827 1 10 . 1 1 106 106 GLN CA C 436 58.242 58.242 58.152 0.090 17742 6828 1 10 . 1 1 106 106 GLN CB C 436 29.001 29.001 29.354 -0.353 17742 6829 1 10 . 1 1 106 106 GLN H H 436 7.823 7.823 7.755 0.068 17742 6830 1 10 . 1 1 107 107 VAL N N 437 117.503 117.503 119.713 -2.210 17742 6831 1 10 . 1 1 107 107 VAL HA H 437 3.955 3.955 4.142 -0.187 17742 6832 1 10 . 1 1 107 107 VAL C C 437 177.462 177.462 176.763 0.699 17742 6833 1 10 . 1 1 107 107 VAL CA C 437 64.414 64.414 65.428 -1.014 17742 6834 1 10 . 1 1 107 107 VAL CB C 437 32.192 32.192 32.015 0.177 17742 6835 1 10 . 1 1 107 107 VAL H H 437 7.711 7.711 8.445 -0.734 17742 6836 1 10 . 1 1 108 108 LEU HA H 438 4.072 4.072 4.261 -0.189 17742 6837 1 10 . 1 1 108 108 LEU C C 438 177.614 177.614 176.962 0.652 17742 6838 1 10 . 1 1 108 108 LEU CA C 438 56.521 56.521 55.548 0.973 17742 6839 1 10 . 1 1 108 108 LEU CB C 438 42.149 42.149 41.495 0.654 17742 6840 1 10 . 1 1 109 109 ASP N N 439 118.500 118.500 117.328 1.172 17742 6841 1 10 . 1 1 109 109 ASP HA H 439 4.685 4.685 4.739 -0.054 17742 6842 1 10 . 1 1 109 109 ASP C C 439 176.372 176.372 176.867 -0.495 17742 6843 1 10 . 1 1 109 109 ASP CA C 439 54.653 54.653 54.002 0.651 17742 6844 1 10 . 1 1 109 109 ASP CB C 439 41.425 41.425 42.535 -1.110 17742 6845 1 10 . 1 1 109 109 ASP H H 439 7.872 7.872 7.971 -0.099 17742 6846 1 10 . 1 1 110 110 GLU N N 440 120.701 120.701 119.283 1.418 17742 6847 1 10 . 1 1 110 110 GLU HA H 440 4.188 4.188 4.007 0.181 17742 6848 1 10 . 1 1 110 110 GLU C C 440 176.739 176.739 176.955 -0.216 17742 6849 1 10 . 1 1 110 110 GLU CA C 440 57.310 57.310 58.731 -1.421 17742 6850 1 10 . 1 1 110 110 GLU CB C 440 30.091 30.091 29.863 0.228 17742 6851 1 10 . 1 1 110 110 GLU H H 440 7.929 7.929 8.469 -0.540 17742 6852 1 10 . 1 1 111 111 GLN N N 441 120.829 120.829 116.963 3.866 17742 6853 1 10 . 1 1 111 111 GLN HA H 441 4.341 4.341 4.306 0.035 17742 6854 1 10 . 1 1 111 111 GLN C C 441 176.214 176.214 176.862 -0.648 17742 6855 1 10 . 1 1 111 111 GLN CA C 441 56.103 56.103 54.873 1.230 17742 6856 1 10 . 1 1 111 111 GLN CB C 441 29.607 29.607 29.112 0.495 17742 6857 1 10 . 1 1 111 111 GLN H H 441 8.434 8.434 8.077 0.357 17742 6858 1 10 . 1 1 112 112 THR N N 442 114.861 114.861 116.077 -1.216 17742 6859 1 10 . 1 1 112 112 THR HA H 442 4.258 4.258 3.901 0.357 17742 6860 1 10 . 1 1 112 112 THR C C 442 174.095 174.095 175.034 -0.939 17742 6861 1 10 . 1 1 112 112 THR CA C 442 62.140 62.140 65.325 -3.185 17742 6862 1 10 . 1 1 112 112 THR CB C 442 69.870 69.870 69.124 0.746 17742 6863 1 10 . 1 1 112 112 THR H H 442 8.038 8.038 8.517 -0.479 17742 6864 1 10 . 1 1 113 113 TYR N N 443 122.709 122.709 117.061 5.648 17742 6865 1 10 . 1 1 113 113 TYR HA H 443 4.552 4.552 4.627 -0.075 17742 6866 1 10 . 1 1 113 113 TYR C C 443 175.303 175.303 174.532 0.771 17742 6867 1 10 . 1 1 113 113 TYR CA C 443 57.921 57.921 55.581 2.340 17742 6868 1 10 . 1 1 113 113 TYR CB C 443 38.982 38.982 36.094 2.888 17742 6869 1 10 . 1 1 113 113 TYR H H 443 8.171 8.171 7.683 0.488 17742 6870 1 10 . 1 1 114 114 GLN N N 444 122.768 122.768 116.467 6.301 17742 6871 1 10 . 1 1 114 114 GLN HA H 444 4.284 4.284 3.816 0.468 17742 6872 1 10 . 1 1 114 114 GLN C C 444 175.372 175.372 174.058 1.314 17742 6873 1 10 . 1 1 114 114 GLN CA C 444 55.543 55.543 56.488 -0.945 17742 6874 1 10 . 1 1 114 114 GLN CB C 444 29.894 29.894 27.633 2.261 17742 6875 1 10 . 1 1 114 114 GLN H H 444 8.202 8.202 7.940 0.262 17742 6876 1 10 . 1 1 115 115 GLU N N 445 122.370 122.370 119.162 3.208 17742 6877 1 10 . 1 1 115 115 GLU HA H 445 4.225 4.225 4.171 0.054 17742 6878 1 10 . 1 1 115 115 GLU C C 445 176.058 176.058 175.182 0.876 17742 6879 1 10 . 1 1 115 115 GLU CA C 445 56.612 56.612 54.791 1.821 17742 6880 1 10 . 1 1 115 115 GLU CB C 445 30.517 30.517 30.582 -0.066 17742 6881 1 10 . 1 1 115 115 GLU H H 445 8.371 8.371 7.638 0.733 17742 6882 1 10 . 1 1 116 116 ASP N N 446 121.090 121.090 125.612 -4.522 17742 6883 1 10 . 1 1 116 116 ASP HA H 446 4.595 4.595 4.485 0.110 17742 6884 1 10 . 1 1 116 116 ASP C C 446 175.872 175.872 176.318 -0.446 17742 6885 1 10 . 1 1 116 116 ASP CA C 446 54.382 54.382 55.455 -1.073 17742 6886 1 10 . 1 1 116 116 ASP CB C 446 41.402 41.402 41.297 0.105 17742 6887 1 10 . 1 1 116 116 ASP H H 446 8.336 8.336 8.484 -0.148 17742 6888 1 10 . 1 1 117 117 GLU N N 447 121.977 121.977 120.083 1.894 17742 6889 1 10 . 1 1 117 117 GLU HA H 447 4.575 4.575 4.686 -0.111 17742 6890 1 10 . 1 1 117 117 GLU CA C 447 54.442 54.442 53.265 1.177 17742 6891 1 10 . 1 1 117 117 GLU CB C 447 30.254 30.254 30.361 -0.107 17742 6892 1 10 . 1 1 117 117 GLU H H 447 8.194 8.194 8.126 0.068 17742 6893 1 10 . 1 1 118 118 PRO HA H 448 4.461 4.461 4.498 -0.037 17742 6894 1 10 . 1 1 118 118 PRO C C 448 177.160 177.160 176.543 0.617 17742 6895 1 10 . 1 1 118 118 PRO CA C 448 63.371 63.371 63.314 0.057 17742 6896 1 10 . 1 1 118 118 PRO CB C 448 32.302 32.302 31.001 1.301 17742 6897 1 10 . 1 1 119 119 THR N N 449 114.788 114.788 118.200 -3.412 17742 6898 1 10 . 1 1 119 119 THR HA H 449 4.292 4.292 4.738 -0.446 17742 6899 1 10 . 1 1 119 119 THR C C 449 174.664 174.664 174.202 0.462 17742 6900 1 10 . 1 1 119 119 THR CA C 449 62.117 62.117 59.682 2.435 17742 6901 1 10 . 1 1 119 119 THR CB C 449 69.861 69.861 70.673 -0.812 17742 6902 1 10 . 1 1 119 119 THR H H 449 8.235 8.235 8.961 -0.726 17742 6903 1 10 . 1 1 120 120 ILE N N 450 123.074 123.074 124.059 -0.985 17742 6904 1 10 . 1 1 120 120 ILE HA H 450 4.169 4.169 4.163 0.006 17742 6905 1 10 . 1 1 120 120 ILE C C 450 175.683 175.683 175.946 -0.263 17742 6906 1 10 . 1 1 120 120 ILE CA C 450 60.987 60.987 61.827 -0.840 17742 6907 1 10 . 1 1 120 120 ILE CB C 450 38.983 38.983 37.139 1.844 17742 6908 1 10 . 1 1 120 120 ILE H H 450 8.043 8.043 8.729 -0.686 17742 6909 1 10 . 1 1 121 121 ALA N N 451 128.011 128.011 129.796 -1.785 17742 6910 1 10 . 1 1 121 121 ALA HA H 451 4.332 4.332 4.352 -0.020 17742 6911 1 10 . 1 1 121 121 ALA C C 451 177.333 177.333 176.452 0.881 17742 6912 1 10 . 1 1 121 121 ALA CA C 451 52.364 52.364 52.268 0.096 17742 6913 1 10 . 1 1 121 121 ALA CB C 451 19.534 19.534 19.609 -0.075 17742 6914 1 10 . 1 1 121 121 ALA H H 451 8.277 8.277 8.437 -0.160 17742 6915 1 10 . 1 1 122 122 SER N N 452 116.575 116.575 112.955 3.620 17742 6916 1 10 . 1 1 122 122 SER HA H 452 4.672 4.672 4.504 0.168 17742 6917 1 10 . 1 1 122 122 SER CA C 452 56.230 56.230 56.755 -0.525 17742 6918 1 10 . 1 1 122 122 SER CB C 452 63.460 63.460 64.085 -0.625 17742 6919 1 10 . 1 1 122 122 SER H H 452 8.161 8.161 7.411 0.750 17742 6920 1 10 . 1 1 123 123 PRO HA H 453 4.395 4.395 4.229 0.166 17742 6921 1 10 . 1 1 123 123 PRO C C 453 176.993 176.993 175.884 1.109 17742 6922 1 10 . 1 1 123 123 PRO CA C 453 63.303 63.303 63.277 0.026 17742 6923 1 10 . 1 1 123 123 PRO CB C 453 32.149 32.149 31.637 0.512 17742 6924 1 10 . 1 1 124 124 VAL N N 454 119.733 119.733 123.547 -3.814 17742 6925 1 10 . 1 1 124 124 VAL HA H 454 4.010 4.010 3.416 0.594 17742 6926 1 10 . 1 1 124 124 VAL CA C 454 62.674 62.674 63.229 -0.555 17742 6927 1 10 . 1 1 124 124 VAL CB C 454 32.669 32.669 31.675 0.994 17742 6928 1 10 . 1 1 124 124 VAL H H 454 8.058 8.058 8.079 -0.021 17742 6929 1 10 . 1 1 125 125 GLY N N 455 111.901 111.901 116.345 -4.444 17742 6930 1 10 . 1 1 125 125 GLY CA C 455 45.152 45.152 44.536 0.616 17742 6931 1 10 . 1 1 125 125 GLY H H 455 8.255 8.255 7.681 0.574 17742 6932 1 10 . 1 1 126 126 TRP N N 456 122.405 122.405 123.666 -1.261 17742 6933 1 10 . 1 1 126 126 TRP HA H 456 4.929 4.929 4.883 0.046 17742 6934 1 10 . 1 1 126 126 TRP CA C 456 55.029 55.029 54.669 0.360 17742 6935 1 10 . 1 1 126 126 TRP CB C 456 29.383 29.383 29.833 -0.450 17742 6936 1 10 . 1 1 126 126 TRP H H 456 7.906 7.906 8.119 -0.213 17742 6937 1 10 . 1 1 127 127 PRO HA H 457 4.429 4.429 4.533 -0.104 17742 6938 1 10 . 1 1 127 127 PRO C C 457 175.951 175.951 176.378 -0.427 17742 6939 1 10 . 1 1 127 127 PRO CA C 457 63.558 63.558 62.816 0.742 17742 6940 1 10 . 1 1 127 127 PRO CB C 457 31.932 31.932 31.650 0.282 17742 6941 1 11 . 1 1 5 5 ARG N N 335 123.607 123.607 124.026 -0.419 17742 6942 1 11 . 1 1 5 5 ARG HA H 335 4.382 4.382 4.748 -0.366 17742 6943 1 11 . 1 1 5 5 ARG CA C 335 56.926 56.926 55.226 1.700 17742 6944 1 11 . 1 1 5 5 ARG H H 335 9.161 9.161 9.572 -0.411 17742 6945 1 11 . 1 1 6 6 LEU N N 336 122.412 122.412 118.680 3.732 17742 6946 1 11 . 1 1 6 6 LEU CB C 336 42.172 42.172 42.276 -0.104 17742 6947 1 11 . 1 1 6 6 LEU H H 336 8.775 8.775 7.603 1.172 17742 6948 1 11 . 1 1 7 7 LEU HA H 337 3.669 3.669 4.368 -0.699 17742 6949 1 11 . 1 1 7 7 LEU CA C 337 59.053 59.053 58.459 0.594 17742 6950 1 11 . 1 1 7 7 LEU CB C 337 40.447 40.447 42.081 -1.634 17742 6951 1 11 . 1 1 8 8 TRP N N 338 114.197 114.197 115.703 -1.506 17742 6952 1 11 . 1 1 8 8 TRP HA H 338 3.747 3.747 4.596 -0.849 17742 6953 1 11 . 1 1 8 8 TRP CA C 338 60.071 60.071 59.128 0.943 17742 6954 1 11 . 1 1 8 8 TRP CB C 338 28.481 28.481 28.343 0.138 17742 6955 1 11 . 1 1 8 8 TRP H H 338 7.595 7.595 7.916 -0.321 17742 6956 1 11 . 1 1 9 9 ASP HA H 339 3.648 3.648 4.567 -0.919 17742 6957 1 11 . 1 1 9 9 ASP C C 339 177.491 177.491 177.731 -0.240 17742 6958 1 11 . 1 1 9 9 ASP CA C 339 56.197 56.197 57.122 -0.925 17742 6959 1 11 . 1 1 9 9 ASP CB C 339 41.702 41.702 40.661 1.041 17742 6960 1 11 . 1 1 10 10 TYR N N 340 120.786 120.786 120.586 0.200 17742 6961 1 11 . 1 1 10 10 TYR HA H 340 3.851 3.851 4.002 -0.151 17742 6962 1 11 . 1 1 10 10 TYR C C 340 177.016 177.016 177.658 -0.642 17742 6963 1 11 . 1 1 10 10 TYR CA C 340 61.921 61.921 61.470 0.451 17742 6964 1 11 . 1 1 10 10 TYR CB C 340 39.202 39.202 38.558 0.644 17742 6965 1 11 . 1 1 10 10 TYR H H 340 7.929 7.929 7.667 0.262 17742 6966 1 11 . 1 1 11 11 VAL N N 341 114.828 114.828 118.845 -4.017 17742 6967 1 11 . 1 1 11 11 VAL HA H 341 2.982 2.982 3.543 -0.561 17742 6968 1 11 . 1 1 11 11 VAL C C 341 176.795 176.795 177.098 -0.303 17742 6969 1 11 . 1 1 11 11 VAL CA C 341 66.855 66.855 65.625 1.230 17742 6970 1 11 . 1 1 11 11 VAL CB C 341 31.152 31.152 31.834 -0.681 17742 6971 1 11 . 1 1 11 11 VAL H H 341 8.291 8.291 8.398 -0.107 17742 6972 1 11 . 1 1 12 12 TYR N N 342 119.177 119.177 119.096 0.081 17742 6973 1 11 . 1 1 12 12 TYR HA H 342 3.617 3.617 3.905 -0.288 17742 6974 1 11 . 1 1 12 12 TYR C C 342 178.765 178.765 176.788 1.977 17742 6975 1 11 . 1 1 12 12 TYR CA C 342 62.960 62.960 61.018 1.942 17742 6976 1 11 . 1 1 12 12 TYR CB C 342 38.232 38.232 38.276 -0.044 17742 6977 1 11 . 1 1 12 12 TYR H H 342 7.712 7.712 7.666 0.046 17742 6978 1 11 . 1 1 13 13 GLN N N 343 118.873 118.873 116.265 2.608 17742 6979 1 11 . 1 1 13 13 GLN HA H 343 3.833 3.833 3.987 -0.154 17742 6980 1 11 . 1 1 13 13 GLN C C 343 179.917 179.917 178.377 1.540 17742 6981 1 11 . 1 1 13 13 GLN CA C 343 58.821 58.821 57.547 1.274 17742 6982 1 11 . 1 1 13 13 GLN CB C 343 27.649 27.649 28.471 -0.822 17742 6983 1 11 . 1 1 13 13 GLN H H 343 8.076 8.076 7.680 0.396 17742 6984 1 11 . 1 1 14 14 LEU N N 344 121.381 121.381 119.547 1.834 17742 6985 1 11 . 1 1 14 14 LEU HA H 344 3.611 3.611 3.894 -0.283 17742 6986 1 11 . 1 1 14 14 LEU C C 344 179.861 179.861 179.163 0.698 17742 6987 1 11 . 1 1 14 14 LEU CA C 344 58.121 58.121 56.944 1.177 17742 6988 1 11 . 1 1 14 14 LEU CB C 344 41.382 41.382 41.056 0.326 17742 6989 1 11 . 1 1 14 14 LEU H H 344 7.772 7.772 6.954 0.818 17742 6990 1 11 . 1 1 15 15 LEU N N 345 116.801 116.801 117.069 -0.268 17742 6991 1 11 . 1 1 15 15 LEU HA H 345 3.513 3.513 3.993 -0.479 17742 6992 1 11 . 1 1 15 15 LEU C C 345 178.221 178.221 178.313 -0.092 17742 6993 1 11 . 1 1 15 15 LEU CA C 345 56.568 56.568 56.326 0.242 17742 6994 1 11 . 1 1 15 15 LEU CB C 345 41.431 41.431 40.903 0.528 17742 6995 1 11 . 1 1 15 15 LEU H H 345 7.546 7.546 7.551 -0.005 17742 6996 1 11 . 1 1 16 16 SER N N 346 112.511 112.511 112.606 -0.095 17742 6997 1 11 . 1 1 16 16 SER HA H 346 4.542 4.542 4.490 0.052 17742 6998 1 11 . 1 1 16 16 SER C C 346 172.510 172.510 174.027 -1.517 17742 6999 1 11 . 1 1 16 16 SER CA C 346 58.891 58.891 58.820 0.071 17742 7000 1 11 . 1 1 16 16 SER CB C 346 63.993 63.993 64.046 -0.053 17742 7001 1 11 . 1 1 16 16 SER H H 346 7.277 7.277 7.606 -0.329 17742 7002 1 11 . 1 1 17 17 ASP N N 347 122.234 122.234 120.683 1.551 17742 7003 1 11 . 1 1 17 17 ASP HA H 347 4.969 4.969 4.861 0.108 17742 7004 1 11 . 1 1 17 17 ASP C C 347 175.703 175.703 176.739 -1.036 17742 7005 1 11 . 1 1 17 17 ASP CA C 347 52.761 52.761 53.133 -0.372 17742 7006 1 11 . 1 1 17 17 ASP CB C 347 43.427 43.427 43.100 0.327 17742 7007 1 11 . 1 1 17 17 ASP H H 347 7.353 7.353 7.507 -0.154 17742 7008 1 11 . 1 1 18 18 SER N N 348 120.139 120.139 119.903 0.236 17742 7009 1 11 . 1 1 18 18 SER HA H 348 4.371 4.371 4.380 -0.009 17742 7010 1 11 . 1 1 18 18 SER C C 348 176.259 176.259 176.064 0.195 17742 7011 1 11 . 1 1 18 18 SER CA C 348 61.131 61.131 60.353 0.778 17742 7012 1 11 . 1 1 18 18 SER CB C 348 63.177 63.177 63.327 -0.150 17742 7013 1 11 . 1 1 18 18 SER H H 348 8.691 8.691 8.785 -0.094 17742 7014 1 11 . 1 1 19 19 ARG N N 349 122.716 122.716 122.278 0.438 17742 7015 1 11 . 1 1 19 19 ARG HA H 349 4.114 4.114 3.875 0.239 17742 7016 1 11 . 1 1 19 19 ARG C C 349 178.154 178.154 178.041 0.113 17742 7017 1 11 . 1 1 19 19 ARG CA C 349 58.531 58.531 58.838 -0.307 17742 7018 1 11 . 1 1 19 19 ARG CB C 349 29.794 29.794 29.630 0.164 17742 7019 1 11 . 1 1 19 19 ARG H H 349 8.586 8.586 7.665 0.921 17742 7020 1 11 . 1 1 20 20 TYR N N 350 116.201 116.201 116.317 -0.116 17742 7021 1 11 . 1 1 20 20 TYR HA H 350 4.883 4.883 4.832 0.051 17742 7022 1 11 . 1 1 20 20 TYR C C 350 177.029 177.029 176.084 0.945 17742 7023 1 11 . 1 1 20 20 TYR CA C 350 58.741 58.741 56.052 2.689 17742 7024 1 11 . 1 1 20 20 TYR CB C 350 37.642 37.642 36.569 1.073 17742 7025 1 11 . 1 1 20 20 TYR H H 350 8.291 8.291 7.291 1.000 17742 7026 1 11 . 1 1 21 21 GLU N N 351 120.803 120.803 121.982 -1.179 17742 7027 1 11 . 1 1 21 21 GLU HA H 351 4.466 4.466 4.215 0.251 17742 7028 1 11 . 1 1 21 21 GLU C C 351 176.324 176.324 178.256 -1.932 17742 7029 1 11 . 1 1 21 21 GLU CA C 351 59.132 59.132 59.539 -0.407 17742 7030 1 11 . 1 1 21 21 GLU CB C 351 29.864 29.864 28.988 0.876 17742 7031 1 11 . 1 1 21 21 GLU H H 351 7.513 7.513 8.013 -0.500 17742 7032 1 11 . 1 1 22 22 ASN N N 352 114.531 114.531 115.829 -1.298 17742 7033 1 11 . 1 1 22 22 ASN HA H 352 4.492 4.492 4.592 -0.100 17742 7034 1 11 . 1 1 22 22 ASN C C 352 174.497 174.497 175.587 -1.090 17742 7035 1 11 . 1 1 22 22 ASN CA C 352 54.122 54.122 53.640 0.482 17742 7036 1 11 . 1 1 22 22 ASN CB C 352 36.935 36.935 38.697 -1.762 17742 7037 1 11 . 1 1 22 22 ASN H H 352 8.649 8.649 8.572 0.077 17742 7038 1 11 . 1 1 23 23 PHE N N 353 115.501 115.501 116.386 -0.885 17742 7039 1 11 . 1 1 23 23 PHE HA H 353 4.751 4.751 4.564 0.187 17742 7040 1 11 . 1 1 23 23 PHE C C 353 176.442 176.442 175.162 1.280 17742 7041 1 11 . 1 1 23 23 PHE CB C 353 41.502 41.502 41.622 -0.120 17742 7042 1 11 . 1 1 23 23 PHE H H 353 8.555 8.555 7.907 0.648 17742 7043 1 11 . 1 1 24 24 ILE N N 354 120.734 120.734 117.851 2.883 17742 7044 1 11 . 1 1 24 24 ILE HA H 354 5.059 5.059 4.985 0.074 17742 7045 1 11 . 1 1 24 24 ILE C C 354 179.332 179.332 173.084 6.248 17742 7046 1 11 . 1 1 24 24 ILE CA C 354 59.831 59.831 60.382 -0.551 17742 7047 1 11 . 1 1 24 24 ILE CB C 354 40.623 40.623 42.033 -1.410 17742 7048 1 11 . 1 1 24 24 ILE H H 354 8.428 8.428 8.813 -0.385 17742 7049 1 11 . 1 1 25 25 ARG N N 355 121.187 121.187 122.764 -1.577 17742 7050 1 11 . 1 1 25 25 ARG HA H 355 4.904 4.904 4.902 0.002 17742 7051 1 11 . 1 1 25 25 ARG C C 355 175.152 175.152 174.234 0.918 17742 7052 1 11 . 1 1 25 25 ARG CA C 355 54.529 54.529 54.510 0.019 17742 7053 1 11 . 1 1 25 25 ARG CB C 355 33.599 33.599 33.847 -0.248 17742 7054 1 11 . 1 1 25 25 ARG H H 355 8.671 8.671 9.034 -0.363 17742 7055 1 11 . 1 1 26 26 TRP N N 356 122.024 122.024 123.059 -1.035 17742 7056 1 11 . 1 1 26 26 TRP HA H 356 4.884 4.884 4.684 0.200 17742 7057 1 11 . 1 1 26 26 TRP C C 356 176.642 176.642 176.653 -0.011 17742 7058 1 11 . 1 1 26 26 TRP CA C 356 57.960 57.960 58.221 -0.261 17742 7059 1 11 . 1 1 26 26 TRP CB C 356 30.634 30.634 29.822 0.812 17742 7060 1 11 . 1 1 26 26 TRP H H 356 9.159 9.159 8.792 0.367 17742 7061 1 11 . 1 1 27 27 GLU N N 357 125.331 125.331 123.268 2.063 17742 7062 1 11 . 1 1 27 27 GLU HA H 357 4.681 4.681 4.543 0.138 17742 7063 1 11 . 1 1 27 27 GLU C C 357 176.775 176.775 176.695 0.080 17742 7064 1 11 . 1 1 27 27 GLU CA C 357 56.990 56.990 57.772 -0.782 17742 7065 1 11 . 1 1 27 27 GLU CB C 357 31.579 31.579 31.340 0.239 17742 7066 1 11 . 1 1 27 27 GLU H H 357 9.504 9.504 8.946 0.558 17742 7067 1 11 . 1 1 28 28 ASP N N 358 116.213 116.213 121.584 -5.371 17742 7068 1 11 . 1 1 28 28 ASP HA H 358 4.771 4.771 5.011 -0.240 17742 7069 1 11 . 1 1 28 28 ASP C C 358 176.167 176.167 175.363 0.804 17742 7070 1 11 . 1 1 28 28 ASP CA C 358 53.541 53.541 53.924 -0.383 17742 7071 1 11 . 1 1 28 28 ASP CB C 358 41.932 41.932 42.042 -0.110 17742 7072 1 11 . 1 1 28 28 ASP H H 358 7.846 7.846 8.645 -0.799 17742 7073 1 11 . 1 1 29 29 LYS N N 359 127.762 127.762 125.133 2.629 17742 7074 1 11 . 1 1 29 29 LYS HA H 359 3.157 3.157 3.112 0.045 17742 7075 1 11 . 1 1 29 29 LYS C C 359 178.776 178.776 177.881 0.895 17742 7076 1 11 . 1 1 29 29 LYS CA C 359 60.229 60.229 59.612 0.617 17742 7077 1 11 . 1 1 29 29 LYS CB C 359 32.734 32.734 32.092 0.642 17742 7078 1 11 . 1 1 29 29 LYS H H 359 9.216 9.216 8.650 0.566 17742 7079 1 11 . 1 1 30 30 GLU N N 360 119.601 119.601 118.064 1.537 17742 7080 1 11 . 1 1 30 30 GLU HA H 360 3.925 3.925 3.965 -0.040 17742 7081 1 11 . 1 1 30 30 GLU C C 360 178.684 178.684 177.872 0.812 17742 7082 1 11 . 1 1 30 30 GLU CA C 360 59.570 59.570 58.685 0.885 17742 7083 1 11 . 1 1 30 30 GLU CB C 360 29.177 29.177 29.194 -0.017 17742 7084 1 11 . 1 1 30 30 GLU H H 360 8.340 8.340 8.539 -0.199 17742 7085 1 11 . 1 1 31 31 SER N N 361 113.301 113.301 113.484 -0.183 17742 7086 1 11 . 1 1 31 31 SER HA H 361 4.494 4.494 4.390 0.104 17742 7087 1 11 . 1 1 31 31 SER C C 361 172.357 172.357 173.675 -1.318 17742 7088 1 11 . 1 1 31 31 SER CA C 361 58.807 58.807 59.078 -0.271 17742 7089 1 11 . 1 1 31 31 SER CB C 361 63.768 63.768 63.332 0.436 17742 7090 1 11 . 1 1 31 31 SER H H 361 7.463 7.463 8.241 -0.778 17742 7091 1 11 . 1 1 32 32 LYS N N 362 115.170 115.170 114.150 1.020 17742 7092 1 11 . 1 1 32 32 LYS HA H 362 3.910 3.910 4.397 -0.487 17742 7093 1 11 . 1 1 32 32 LYS C C 362 175.500 175.500 175.422 0.078 17742 7094 1 11 . 1 1 32 32 LYS CA C 362 57.630 57.630 57.059 0.571 17742 7095 1 11 . 1 1 32 32 LYS CB C 362 29.801 29.801 30.288 -0.487 17742 7096 1 11 . 1 1 32 32 LYS H H 362 7.752 7.752 7.377 0.375 17742 7097 1 11 . 1 1 33 33 ILE N N 363 118.274 118.274 121.008 -2.734 17742 7098 1 11 . 1 1 33 33 ILE HA H 363 5.375 5.375 5.042 0.333 17742 7099 1 11 . 1 1 33 33 ILE C C 363 177.068 177.068 175.769 1.299 17742 7100 1 11 . 1 1 33 33 ILE CA C 363 60.428 60.428 60.359 0.069 17742 7101 1 11 . 1 1 33 33 ILE CB C 363 40.206 40.206 37.778 2.428 17742 7102 1 11 . 1 1 33 33 ILE H H 363 8.262 8.262 8.186 0.076 17742 7103 1 11 . 1 1 34 34 PHE N N 364 128.285 128.285 126.758 1.527 17742 7104 1 11 . 1 1 34 34 PHE HA H 364 5.566 5.566 5.208 0.358 17742 7105 1 11 . 1 1 34 34 PHE C C 364 179.560 179.560 172.938 6.622 17742 7106 1 11 . 1 1 34 34 PHE CA C 364 55.080 55.080 55.160 -0.080 17742 7107 1 11 . 1 1 34 34 PHE CB C 364 44.097 44.097 42.677 1.420 17742 7108 1 11 . 1 1 34 34 PHE H H 364 9.936 9.936 9.230 0.706 17742 7109 1 11 . 1 1 35 35 ARG N N 365 120.953 120.953 123.347 -2.394 17742 7110 1 11 . 1 1 35 35 ARG HA H 365 5.484 5.484 4.599 0.885 17742 7111 1 11 . 1 1 35 35 ARG C C 365 176.522 176.522 174.564 1.958 17742 7112 1 11 . 1 1 35 35 ARG CA C 365 53.584 53.584 53.493 0.091 17742 7113 1 11 . 1 1 35 35 ARG CB C 365 36.439 36.439 33.834 2.606 17742 7114 1 11 . 1 1 35 35 ARG H H 365 9.430 9.430 9.117 0.313 17742 7115 1 11 . 1 1 36 36 ILE N N 366 125.455 125.455 128.045 -2.590 17742 7116 1 11 . 1 1 36 36 ILE HA H 366 4.201 4.201 4.017 0.184 17742 7117 1 11 . 1 1 36 36 ILE C C 366 173.923 173.923 175.054 -1.131 17742 7118 1 11 . 1 1 36 36 ILE CA C 366 63.110 63.110 62.249 0.861 17742 7119 1 11 . 1 1 36 36 ILE CB C 366 37.964 37.964 37.706 0.258 17742 7120 1 11 . 1 1 36 36 ILE H H 366 8.639 8.639 8.217 0.422 17742 7121 1 11 . 1 1 37 37 VAL N N 367 129.251 129.251 127.718 1.533 17742 7122 1 11 . 1 1 37 37 VAL HA H 367 3.674 3.674 3.926 -0.252 17742 7123 1 11 . 1 1 37 37 VAL C C 367 175.948 175.948 176.171 -0.223 17742 7124 1 11 . 1 1 37 37 VAL CA C 367 64.171 64.171 64.454 -0.283 17742 7125 1 11 . 1 1 37 37 VAL CB C 367 32.870 32.870 32.219 0.651 17742 7126 1 11 . 1 1 37 37 VAL H H 367 7.839 7.839 8.696 -0.857 17742 7127 1 11 . 1 1 38 38 ASP N N 368 114.991 114.991 120.235 -5.244 17742 7128 1 11 . 1 1 38 38 ASP HA H 368 5.213 5.213 5.003 0.210 17742 7129 1 11 . 1 1 38 38 ASP CA C 368 50.242 50.242 50.608 -0.366 17742 7130 1 11 . 1 1 38 38 ASP CB C 368 42.169 42.169 42.128 0.041 17742 7131 1 11 . 1 1 38 38 ASP H H 368 7.279 7.279 7.924 -0.645 17742 7132 1 11 . 1 1 39 39 PRO HA H 369 3.794 3.794 4.409 -0.615 17742 7133 1 11 . 1 1 39 39 PRO C C 369 178.037 178.037 178.489 -0.452 17742 7134 1 11 . 1 1 39 39 PRO CA C 369 65.619 65.619 65.491 0.128 17742 7135 1 11 . 1 1 39 39 PRO CB C 369 31.057 31.057 32.123 -1.066 17742 7136 1 11 . 1 1 40 40 ASN N N 370 115.439 115.439 116.692 -1.253 17742 7137 1 11 . 1 1 40 40 ASN HA H 370 4.596 4.596 4.682 -0.086 17742 7138 1 11 . 1 1 40 40 ASN C C 370 178.570 178.570 178.002 0.568 17742 7139 1 11 . 1 1 40 40 ASN CA C 370 56.501 56.501 55.929 0.571 17742 7140 1 11 . 1 1 40 40 ASN CB C 370 38.012 38.012 38.017 -0.005 17742 7141 1 11 . 1 1 40 40 ASN H H 370 8.121 8.121 8.229 -0.108 17742 7142 1 11 . 1 1 41 41 GLY N N 371 111.317 111.317 108.822 2.495 17742 7143 1 11 . 1 1 41 41 GLY C C 371 176.090 176.090 176.620 -0.530 17742 7144 1 11 . 1 1 41 41 GLY CA C 371 47.932 47.932 47.071 0.861 17742 7145 1 11 . 1 1 41 41 GLY H H 371 8.622 8.622 9.255 -0.633 17742 7146 1 11 . 1 1 42 42 LEU N N 372 122.892 122.892 123.668 -0.776 17742 7147 1 11 . 1 1 42 42 LEU HA H 372 4.031 4.031 4.332 -0.301 17742 7148 1 11 . 1 1 42 42 LEU C C 372 177.766 177.766 178.876 -1.110 17742 7149 1 11 . 1 1 42 42 LEU CA C 372 57.830 57.830 57.756 0.074 17742 7150 1 11 . 1 1 42 42 LEU CB C 372 42.132 42.132 41.288 0.843 17742 7151 1 11 . 1 1 42 42 LEU H H 372 8.881 8.881 8.643 0.238 17742 7152 1 11 . 1 1 43 43 ALA N N 373 120.112 120.112 121.845 -1.733 17742 7153 1 11 . 1 1 43 43 ALA HA H 373 4.458 4.458 4.166 0.292 17742 7154 1 11 . 1 1 43 43 ALA C C 373 179.093 179.093 179.970 -0.877 17742 7155 1 11 . 1 1 43 43 ALA CA C 373 55.451 55.451 55.216 0.235 17742 7156 1 11 . 1 1 43 43 ALA CB C 373 18.324 18.324 18.486 -0.162 17742 7157 1 11 . 1 1 43 43 ALA H H 373 8.072 8.072 8.573 -0.501 17742 7158 1 11 . 1 1 44 44 ARG N N 374 117.916 117.916 118.691 -0.775 17742 7159 1 11 . 1 1 44 44 ARG HA H 374 4.093 4.093 4.128 -0.035 17742 7160 1 11 . 1 1 44 44 ARG C C 374 179.473 179.473 179.124 0.349 17742 7161 1 11 . 1 1 44 44 ARG CA C 374 59.372 59.372 58.757 0.615 17742 7162 1 11 . 1 1 44 44 ARG CB C 374 30.114 30.114 29.822 0.292 17742 7163 1 11 . 1 1 44 44 ARG H H 374 7.769 7.769 8.155 -0.386 17742 7164 1 11 . 1 1 45 45 LEU N N 375 121.489 121.489 120.443 1.046 17742 7165 1 11 . 1 1 45 45 LEU HA H 375 4.007 4.007 4.103 -0.096 17742 7166 1 11 . 1 1 45 45 LEU C C 375 180.049 180.049 179.363 0.686 17742 7167 1 11 . 1 1 45 45 LEU CA C 375 58.390 58.390 58.169 0.221 17742 7168 1 11 . 1 1 45 45 LEU CB C 375 41.552 41.552 41.728 -0.176 17742 7169 1 11 . 1 1 45 45 LEU H H 375 7.903 7.903 8.489 -0.586 17742 7170 1 11 . 1 1 46 46 TRP N N 376 121.466 121.466 121.340 0.126 17742 7171 1 11 . 1 1 46 46 TRP HA H 376 4.089 4.089 3.870 0.219 17742 7172 1 11 . 1 1 46 46 TRP C C 376 177.939 177.939 178.440 -0.501 17742 7173 1 11 . 1 1 46 46 TRP CA C 376 60.022 60.022 60.957 -0.935 17742 7174 1 11 . 1 1 46 46 TRP CB C 376 28.817 28.817 29.034 -0.217 17742 7175 1 11 . 1 1 46 46 TRP H H 376 8.633 8.633 8.891 -0.258 17742 7176 1 11 . 1 1 47 47 GLY N N 377 105.142 105.142 106.124 -0.982 17742 7177 1 11 . 1 1 47 47 GLY C C 377 176.128 176.128 175.654 0.474 17742 7178 1 11 . 1 1 47 47 GLY CA C 377 48.035 48.035 47.130 0.905 17742 7179 1 11 . 1 1 47 47 GLY H H 377 8.828 8.828 8.950 -0.122 17742 7180 1 11 . 1 1 48 48 ASN N N 378 120.327 120.327 121.275 -0.948 17742 7181 1 11 . 1 1 48 48 ASN HA H 378 4.402 4.402 4.336 0.066 17742 7182 1 11 . 1 1 48 48 ASN C C 378 178.625 178.625 177.721 0.904 17742 7183 1 11 . 1 1 48 48 ASN CA C 378 56.231 56.231 55.916 0.315 17742 7184 1 11 . 1 1 48 48 ASN CB C 378 38.132 38.132 38.315 -0.183 17742 7185 1 11 . 1 1 48 48 ASN H H 378 8.212 8.212 8.237 -0.025 17742 7186 1 11 . 1 1 49 49 HIS N N 379 121.871 121.871 119.980 1.891 17742 7187 1 11 . 1 1 49 49 HIS HA H 379 4.205 4.205 4.297 -0.092 17742 7188 1 11 . 1 1 49 49 HIS C C 379 176.086 176.086 176.517 -0.431 17742 7189 1 11 . 1 1 49 49 HIS CA C 379 59.390 59.390 58.374 1.016 17742 7190 1 11 . 1 1 49 49 HIS CB C 379 29.564 29.564 29.569 -0.005 17742 7191 1 11 . 1 1 49 49 HIS H H 379 8.094 8.094 7.582 0.512 17742 7192 1 11 . 1 1 50 50 LYS N N 380 115.181 115.181 117.370 -2.189 17742 7193 1 11 . 1 1 50 50 LYS HA H 380 3.911 3.911 4.120 -0.209 17742 7194 1 11 . 1 1 50 50 LYS C C 380 175.348 175.348 175.199 0.149 17742 7195 1 11 . 1 1 50 50 LYS CA C 380 53.632 53.632 54.602 -0.970 17742 7196 1 11 . 1 1 50 50 LYS CB C 380 30.742 30.742 30.680 0.062 17742 7197 1 11 . 1 1 50 50 LYS H H 380 7.482 7.482 7.538 -0.056 17742 7198 1 11 . 1 1 51 51 ASN N N 381 116.362 116.362 113.532 2.830 17742 7199 1 11 . 1 1 51 51 ASN HA H 381 4.259 4.259 4.132 0.127 17742 7200 1 11 . 1 1 51 51 ASN C C 381 174.400 174.400 174.360 0.040 17742 7201 1 11 . 1 1 51 51 ASN CA C 381 54.312 54.312 54.275 0.037 17742 7202 1 11 . 1 1 51 51 ASN CB C 381 37.272 37.272 36.690 0.582 17742 7203 1 11 . 1 1 51 51 ASN H H 381 7.753 7.753 7.559 0.194 17742 7204 1 11 . 1 1 52 52 ARG N N 382 117.723 117.723 119.158 -1.435 17742 7205 1 11 . 1 1 52 52 ARG HA H 382 4.658 4.658 4.691 -0.033 17742 7206 1 11 . 1 1 52 52 ARG C C 382 176.209 176.209 175.326 0.883 17742 7207 1 11 . 1 1 52 52 ARG CA C 382 53.668 53.668 54.070 -0.402 17742 7208 1 11 . 1 1 52 52 ARG CB C 382 32.212 32.212 33.054 -0.842 17742 7209 1 11 . 1 1 52 52 ARG H H 382 8.476 8.476 8.258 0.218 17742 7210 1 11 . 1 1 53 53 THR N N 383 114.109 114.109 112.552 1.557 17742 7211 1 11 . 1 1 53 53 THR HA H 383 4.221 4.221 4.552 -0.331 17742 7212 1 11 . 1 1 53 53 THR C C 383 174.644 174.644 173.928 0.716 17742 7213 1 11 . 1 1 53 53 THR CA C 383 62.187 62.187 60.033 2.154 17742 7214 1 11 . 1 1 53 53 THR CB C 383 69.710 69.710 71.245 -1.535 17742 7215 1 11 . 1 1 53 53 THR H H 383 8.333 8.333 8.306 0.027 17742 7216 1 11 . 1 1 54 54 ASN N N 384 118.768 118.768 114.403 4.365 17742 7217 1 11 . 1 1 54 54 ASN HA H 384 4.609 4.609 4.316 0.293 17742 7218 1 11 . 1 1 54 54 ASN C C 384 174.975 174.975 174.204 0.771 17742 7219 1 11 . 1 1 54 54 ASN CA C 384 53.193 53.193 53.669 -0.476 17742 7220 1 11 . 1 1 54 54 ASN CB C 384 37.632 37.632 37.615 0.017 17742 7221 1 11 . 1 1 54 54 ASN H H 384 8.521 8.521 8.550 -0.029 17742 7222 1 11 . 1 1 55 55 MET N N 385 119.621 119.621 118.712 0.909 17742 7223 1 11 . 1 1 55 55 MET HA H 385 4.566 4.566 4.563 0.003 17742 7224 1 11 . 1 1 55 55 MET C C 385 175.078 175.078 175.183 -0.105 17742 7225 1 11 . 1 1 55 55 MET CA C 385 55.298 55.298 55.760 -0.462 17742 7226 1 11 . 1 1 55 55 MET CB C 385 31.244 31.244 34.650 -3.406 17742 7227 1 11 . 1 1 55 55 MET H H 385 8.162 8.162 7.740 0.422 17742 7228 1 11 . 1 1 56 56 THR N N 386 113.114 113.114 118.433 -5.319 17742 7229 1 11 . 1 1 56 56 THR HA H 386 4.824 4.824 4.938 -0.114 17742 7230 1 11 . 1 1 56 56 THR C C 386 175.549 175.549 174.397 1.152 17742 7231 1 11 . 1 1 56 56 THR CA C 386 59.060 59.060 61.026 -1.966 17742 7232 1 11 . 1 1 56 56 THR CB C 386 72.290 72.290 71.989 0.301 17742 7233 1 11 . 1 1 56 56 THR H H 386 7.031 7.031 8.010 -0.979 17742 7234 1 11 . 1 1 57 57 TYR N N 387 123.401 123.401 125.186 -1.785 17742 7235 1 11 . 1 1 57 57 TYR HA H 387 4.134 4.134 4.097 0.037 17742 7236 1 11 . 1 1 57 57 TYR C C 387 177.304 177.304 177.238 0.066 17742 7237 1 11 . 1 1 57 57 TYR CA C 387 62.300 62.300 63.089 -0.789 17742 7238 1 11 . 1 1 57 57 TYR CB C 387 37.359 37.359 38.945 -1.586 17742 7239 1 11 . 1 1 57 57 TYR H H 387 9.691 9.691 9.229 0.462 17742 7240 1 11 . 1 1 58 58 GLU N N 388 120.999 120.999 118.853 2.146 17742 7241 1 11 . 1 1 58 58 GLU HA H 388 3.823 3.823 3.957 -0.134 17742 7242 1 11 . 1 1 58 58 GLU C C 388 179.213 179.213 179.212 0.001 17742 7243 1 11 . 1 1 58 58 GLU CA C 388 60.477 60.477 59.855 0.622 17742 7244 1 11 . 1 1 58 58 GLU CB C 388 28.895 28.895 28.869 0.026 17742 7245 1 11 . 1 1 58 58 GLU H H 388 8.838 8.838 8.973 -0.135 17742 7246 1 11 . 1 1 59 59 LYS N N 389 118.962 118.962 117.827 1.135 17742 7247 1 11 . 1 1 59 59 LYS HA H 389 3.939 3.939 4.094 -0.155 17742 7248 1 11 . 1 1 59 59 LYS C C 389 178.797 178.797 178.640 0.157 17742 7249 1 11 . 1 1 59 59 LYS CA C 389 60.065 60.065 59.151 0.914 17742 7250 1 11 . 1 1 59 59 LYS CB C 389 33.378 33.378 32.212 1.166 17742 7251 1 11 . 1 1 59 59 LYS H H 389 7.506 7.506 7.588 -0.082 17742 7252 1 11 . 1 1 60 60 MET N N 390 120.087 120.087 118.706 1.381 17742 7253 1 11 . 1 1 60 60 MET HA H 390 3.869 3.869 4.390 -0.521 17742 7254 1 11 . 1 1 60 60 MET C C 390 178.146 178.146 177.353 0.793 17742 7255 1 11 . 1 1 60 60 MET CA C 390 59.776 59.776 58.123 1.653 17742 7256 1 11 . 1 1 60 60 MET CB C 390 33.462 33.462 33.370 0.092 17742 7257 1 11 . 1 1 60 60 MET H H 390 8.051 8.051 7.946 0.105 17742 7258 1 11 . 1 1 61 61 SER N N 391 114.537 114.537 115.654 -1.117 17742 7259 1 11 . 1 1 61 61 SER HA H 391 3.786 3.786 3.869 -0.083 17742 7260 1 11 . 1 1 61 61 SER C C 391 176.380 176.380 176.431 -0.051 17742 7261 1 11 . 1 1 61 61 SER CA C 391 61.600 61.600 61.327 0.273 17742 7262 1 11 . 1 1 61 61 SER CB C 391 62.251 62.251 62.346 -0.095 17742 7263 1 11 . 1 1 61 61 SER H H 391 8.853 8.853 8.577 0.276 17742 7264 1 11 . 1 1 62 62 ARG N N 392 122.214 122.214 121.389 0.825 17742 7265 1 11 . 1 1 62 62 ARG HA H 392 3.928 3.928 4.016 -0.088 17742 7266 1 11 . 1 1 62 62 ARG C C 392 178.732 178.732 178.289 0.443 17742 7267 1 11 . 1 1 62 62 ARG CA C 392 59.490 59.490 58.485 1.005 17742 7268 1 11 . 1 1 62 62 ARG CB C 392 30.207 30.207 29.411 0.796 17742 7269 1 11 . 1 1 62 62 ARG H H 392 7.471 7.471 7.535 -0.064 17742 7270 1 11 . 1 1 63 63 ALA N N 393 121.091 121.091 121.194 -0.103 17742 7271 1 11 . 1 1 63 63 ALA HA H 393 4.162 4.162 4.184 -0.022 17742 7272 1 11 . 1 1 63 63 ALA C C 393 179.699 179.699 178.892 0.807 17742 7273 1 11 . 1 1 63 63 ALA CA C 393 54.722 54.722 54.396 0.326 17742 7274 1 11 . 1 1 63 63 ALA CB C 393 18.154 18.154 18.287 -0.133 17742 7275 1 11 . 1 1 63 63 ALA H H 393 7.376 7.376 7.391 -0.015 17742 7276 1 11 . 1 1 64 64 LEU N N 394 117.568 117.568 118.202 -0.634 17742 7277 1 11 . 1 1 64 64 LEU HA H 394 3.777 3.777 3.015 0.762 17742 7278 1 11 . 1 1 64 64 LEU C C 394 178.085 178.085 178.202 -0.117 17742 7279 1 11 . 1 1 64 64 LEU CA C 394 58.075 58.075 56.598 1.477 17742 7280 1 11 . 1 1 64 64 LEU CB C 394 41.052 41.052 41.131 -0.079 17742 7281 1 11 . 1 1 64 64 LEU H H 394 7.853 7.853 6.910 0.943 17742 7282 1 11 . 1 1 65 65 ARG N N 395 116.111 116.111 118.353 -2.242 17742 7283 1 11 . 1 1 65 65 ARG HA H 395 3.529 3.529 3.791 -0.262 17742 7284 1 11 . 1 1 65 65 ARG C C 395 179.519 179.519 178.510 1.009 17742 7285 1 11 . 1 1 65 65 ARG CA C 395 59.133 59.133 58.559 0.574 17742 7286 1 11 . 1 1 65 65 ARG CB C 395 30.004 30.004 29.388 0.616 17742 7287 1 11 . 1 1 65 65 ARG H H 395 7.521 7.521 7.876 -0.355 17742 7288 1 11 . 1 1 66 66 HIS N N 396 118.081 118.081 117.501 0.580 17742 7289 1 11 . 1 1 66 66 HIS HA H 396 4.436 4.436 4.443 -0.007 17742 7290 1 11 . 1 1 66 66 HIS C C 396 177.826 177.826 177.801 0.025 17742 7291 1 11 . 1 1 66 66 HIS CA C 396 59.063 59.063 59.800 -0.737 17742 7292 1 11 . 1 1 66 66 HIS CB C 396 30.154 30.154 29.919 0.235 17742 7293 1 11 . 1 1 66 66 HIS H H 396 7.241 7.241 7.560 -0.319 17742 7294 1 11 . 1 1 67 67 TYR N N 397 116.301 116.301 119.240 -2.939 17742 7295 1 11 . 1 1 67 67 TYR HA H 397 4.128 4.128 4.271 -0.143 17742 7296 1 11 . 1 1 67 67 TYR C C 397 179.075 179.075 178.110 0.965 17742 7297 1 11 . 1 1 67 67 TYR CA C 397 61.525 61.525 59.360 2.165 17742 7298 1 11 . 1 1 67 67 TYR CB C 397 37.522 37.522 36.589 0.933 17742 7299 1 11 . 1 1 67 67 TYR H H 397 7.532 7.532 7.432 0.100 17742 7300 1 11 . 1 1 68 68 TYR N N 398 121.389 121.389 117.688 3.701 17742 7301 1 11 . 1 1 68 68 TYR HA H 398 5.474 5.474 4.646 0.828 17742 7302 1 11 . 1 1 68 68 TYR C C 398 172.285 172.285 178.062 -5.777 17742 7303 1 11 . 1 1 68 68 TYR CA C 398 57.651 57.651 59.400 -1.749 17742 7304 1 11 . 1 1 68 68 TYR CB C 398 37.055 37.055 37.614 -0.559 17742 7305 1 11 . 1 1 68 68 TYR H H 398 8.061 8.061 7.438 0.623 17742 7306 1 11 . 1 1 69 69 LYS N N 399 121.098 121.098 118.120 2.978 17742 7307 1 11 . 1 1 69 69 LYS HA H 399 4.125 4.125 4.287 -0.162 17742 7308 1 11 . 1 1 69 69 LYS C C 399 178.122 178.122 178.203 -0.081 17742 7309 1 11 . 1 1 69 69 LYS CA C 399 58.801 58.801 56.583 2.218 17742 7310 1 11 . 1 1 69 69 LYS CB C 399 32.242 32.242 32.421 -0.179 17742 7311 1 11 . 1 1 69 69 LYS H H 399 7.799 7.799 7.748 0.051 17742 7312 1 11 . 1 1 70 70 LEU N N 400 116.117 116.117 118.353 -2.236 17742 7313 1 11 . 1 1 70 70 LEU HA H 400 4.312 4.312 4.334 -0.022 17742 7314 1 11 . 1 1 70 70 LEU C C 400 175.903 175.903 176.099 -0.196 17742 7315 1 11 . 1 1 70 70 LEU CA C 400 54.642 54.642 55.344 -0.702 17742 7316 1 11 . 1 1 70 70 LEU CB C 400 42.796 42.796 42.130 0.666 17742 7317 1 11 . 1 1 70 70 LEU H H 400 7.257 7.257 8.213 -0.956 17742 7318 1 11 . 1 1 71 71 ASN N N 401 115.181 115.181 112.182 2.999 17742 7319 1 11 . 1 1 71 71 ASN HA H 401 4.368 4.368 4.379 -0.011 17742 7320 1 11 . 1 1 71 71 ASN C C 401 173.597 173.597 175.695 -2.098 17742 7321 1 11 . 1 1 71 71 ASN CA C 401 54.622 54.622 54.214 0.408 17742 7322 1 11 . 1 1 71 71 ASN CB C 401 37.252 37.252 35.904 1.348 17742 7323 1 11 . 1 1 71 71 ASN H H 401 8.061 8.061 8.209 -0.148 17742 7324 1 11 . 1 1 72 72 ILE N N 402 114.031 114.031 117.186 -3.155 17742 7325 1 11 . 1 1 72 72 ILE HA H 402 4.128 4.128 3.932 0.196 17742 7326 1 11 . 1 1 72 72 ILE C C 402 176.467 176.467 175.419 1.048 17742 7327 1 11 . 1 1 72 72 ILE CA C 402 63.720 63.720 64.178 -0.458 17742 7328 1 11 . 1 1 72 72 ILE CB C 402 40.491 40.491 39.010 1.481 17742 7329 1 11 . 1 1 72 72 ILE H H 402 8.104 8.104 8.224 -0.120 17742 7330 1 11 . 1 1 73 73 ILE N N 403 116.973 116.973 116.707 0.266 17742 7331 1 11 . 1 1 73 73 ILE HA H 403 5.014 5.014 5.224 -0.210 17742 7332 1 11 . 1 1 73 73 ILE C C 403 174.039 174.039 173.943 0.096 17742 7333 1 11 . 1 1 73 73 ILE CA C 403 59.357 59.357 59.472 -0.115 17742 7334 1 11 . 1 1 73 73 ILE CB C 403 43.362 43.362 41.983 1.379 17742 7335 1 11 . 1 1 73 73 ILE H H 403 7.099 7.099 7.404 -0.305 17742 7336 1 11 . 1 1 74 74 ARG N N 404 123.639 123.639 124.545 -0.906 17742 7337 1 11 . 1 1 74 74 ARG HA H 404 4.771 4.771 4.916 -0.145 17742 7338 1 11 . 1 1 74 74 ARG C C 404 174.917 174.917 174.401 0.516 17742 7339 1 11 . 1 1 74 74 ARG CA C 404 54.261 54.261 54.175 0.086 17742 7340 1 11 . 1 1 74 74 ARG CB C 404 34.689 34.689 33.390 1.299 17742 7341 1 11 . 1 1 74 74 ARG H H 404 8.983 8.983 8.516 0.467 17742 7342 1 11 . 1 1 75 75 LYS N N 405 125.665 125.665 122.281 3.384 17742 7343 1 11 . 1 1 75 75 LYS HA H 405 4.071 4.071 4.613 -0.542 17742 7344 1 11 . 1 1 75 75 LYS C C 405 176.525 176.525 176.177 0.348 17742 7345 1 11 . 1 1 75 75 LYS CA C 405 56.470 56.470 56.184 0.286 17742 7346 1 11 . 1 1 75 75 LYS CB C 405 32.649 32.649 33.007 -0.358 17742 7347 1 11 . 1 1 75 75 LYS H H 405 8.263 8.263 8.473 -0.210 17742 7348 1 11 . 1 1 76 76 GLU N N 406 128.072 128.072 125.182 2.890 17742 7349 1 11 . 1 1 76 76 GLU HA H 406 4.432 4.432 4.344 0.088 17742 7350 1 11 . 1 1 76 76 GLU CA C 406 53.747 53.747 54.977 -1.230 17742 7351 1 11 . 1 1 76 76 GLU CB C 406 29.914 29.914 29.452 0.462 17742 7352 1 11 . 1 1 76 76 GLU H H 406 8.024 8.024 8.913 -0.889 17742 7353 1 11 . 1 1 77 77 PRO HA H 407 4.282 4.282 4.209 0.073 17742 7354 1 11 . 1 1 77 77 PRO C C 407 177.719 177.719 177.720 -0.001 17742 7355 1 11 . 1 1 77 77 PRO CA C 407 63.407 63.407 64.477 -1.070 17742 7356 1 11 . 1 1 77 77 PRO CB C 407 32.184 32.184 31.201 0.983 17742 7357 1 11 . 1 1 78 78 GLY N N 408 109.716 109.716 112.166 -2.450 17742 7358 1 11 . 1 1 78 78 GLY C C 408 174.053 174.053 174.274 -0.221 17742 7359 1 11 . 1 1 78 78 GLY CA C 408 45.519 45.519 44.870 0.649 17742 7360 1 11 . 1 1 78 78 GLY H H 408 8.531 8.531 8.683 -0.152 17742 7361 1 11 . 1 1 79 79 GLN N N 409 116.964 116.964 119.487 -2.523 17742 7362 1 11 . 1 1 79 79 GLN HA H 409 4.488 4.488 4.579 -0.091 17742 7363 1 11 . 1 1 79 79 GLN C C 409 175.390 175.390 175.239 0.151 17742 7364 1 11 . 1 1 79 79 GLN CA C 409 54.359 54.359 54.583 -0.224 17742 7365 1 11 . 1 1 79 79 GLN CB C 409 31.202 31.202 30.573 0.629 17742 7366 1 11 . 1 1 79 79 GLN H H 409 7.559 7.559 7.842 -0.283 17742 7367 1 11 . 1 1 80 80 ARG N N 410 120.457 120.457 120.293 0.164 17742 7368 1 11 . 1 1 80 80 ARG HA H 410 4.262 4.262 4.304 -0.042 17742 7369 1 11 . 1 1 80 80 ARG C C 410 176.270 176.270 176.776 -0.506 17742 7370 1 11 . 1 1 80 80 ARG CA C 410 56.821 56.821 55.967 0.854 17742 7371 1 11 . 1 1 80 80 ARG CB C 410 31.502 31.502 29.878 1.624 17742 7372 1 11 . 1 1 80 80 ARG H H 410 8.251 8.251 8.453 -0.202 17742 7373 1 11 . 1 1 81 81 LEU N N 411 119.348 119.348 121.955 -2.607 17742 7374 1 11 . 1 1 81 81 LEU HA H 411 4.023 4.023 4.422 -0.399 17742 7375 1 11 . 1 1 81 81 LEU C C 411 173.279 173.279 175.968 -2.689 17742 7376 1 11 . 1 1 81 81 LEU CA C 411 55.030 55.030 54.154 0.876 17742 7377 1 11 . 1 1 81 81 LEU CB C 411 40.335 40.335 40.564 -0.229 17742 7378 1 11 . 1 1 81 81 LEU H H 411 8.435 8.435 8.244 0.191 17742 7379 1 11 . 1 1 82 82 LEU N N 412 119.070 119.070 121.000 -1.930 17742 7380 1 11 . 1 1 82 82 LEU HA H 412 5.013 5.013 4.335 0.678 17742 7381 1 11 . 1 1 82 82 LEU C C 412 175.361 175.361 175.787 -0.426 17742 7382 1 11 . 1 1 82 82 LEU CA C 412 53.212 53.212 54.058 -0.846 17742 7383 1 11 . 1 1 82 82 LEU CB C 412 45.471 45.471 41.669 3.801 17742 7384 1 11 . 1 1 82 82 LEU H H 412 6.751 6.751 7.359 -0.608 17742 7385 1 11 . 1 1 83 83 PHE N N 413 122.184 122.184 124.179 -1.995 17742 7386 1 11 . 1 1 83 83 PHE HA H 413 4.865 4.865 5.490 -0.625 17742 7387 1 11 . 1 1 83 83 PHE C C 413 172.849 172.849 174.636 -1.787 17742 7388 1 11 . 1 1 83 83 PHE CA C 413 55.921 55.921 54.329 1.592 17742 7389 1 11 . 1 1 83 83 PHE CB C 413 44.569 44.569 42.685 1.884 17742 7390 1 11 . 1 1 83 83 PHE H H 413 8.661 8.661 8.989 -0.328 17742 7391 1 11 . 1 1 84 84 ARG N N 414 119.461 119.461 120.030 -0.569 17742 7392 1 11 . 1 1 84 84 ARG HA H 414 5.581 5.581 5.316 0.265 17742 7393 1 11 . 1 1 84 84 ARG C C 414 177.641 177.641 175.001 2.640 17742 7394 1 11 . 1 1 84 84 ARG CA C 414 54.239 54.239 55.144 -0.905 17742 7395 1 11 . 1 1 84 84 ARG CB C 414 36.198 36.198 33.970 2.228 17742 7396 1 11 . 1 1 84 84 ARG H H 414 9.098 9.098 9.014 0.084 17742 7397 1 11 . 1 1 85 85 PHE N N 415 124.274 124.274 128.356 -4.082 17742 7398 1 11 . 1 1 85 85 PHE HA H 415 5.027 5.027 5.160 -0.133 17742 7399 1 11 . 1 1 85 85 PHE C C 415 176.117 176.117 176.781 -0.664 17742 7400 1 11 . 1 1 85 85 PHE CA C 415 59.657 59.657 58.321 1.336 17742 7401 1 11 . 1 1 85 85 PHE CB C 415 40.819 40.819 38.561 2.258 17742 7402 1 11 . 1 1 85 85 PHE H H 415 8.928 8.928 9.861 -0.933 17742 7403 1 11 . 1 1 86 86 MET N N 416 121.081 121.081 123.030 -1.949 17742 7404 1 11 . 1 1 86 86 MET HA H 416 4.656 4.656 4.272 0.384 17742 7405 1 11 . 1 1 86 86 MET C C 416 176.444 176.444 176.369 0.075 17742 7406 1 11 . 1 1 86 86 MET CA C 416 54.681 54.681 57.593 -2.912 17742 7407 1 11 . 1 1 86 86 MET CB C 416 31.698 31.698 32.176 -0.478 17742 7408 1 11 . 1 1 86 86 MET H H 416 8.676 8.676 8.481 0.195 17742 7409 1 11 . 1 1 87 87 LYS N N 417 117.772 117.772 113.933 3.839 17742 7410 1 11 . 1 1 87 87 LYS HA H 417 4.899 4.899 4.713 0.186 17742 7411 1 11 . 1 1 87 87 LYS C C 417 175.621 175.621 175.923 -0.302 17742 7412 1 11 . 1 1 87 87 LYS CA C 417 54.522 54.522 54.767 -0.245 17742 7413 1 11 . 1 1 87 87 LYS CB C 417 37.905 37.905 35.728 2.177 17742 7414 1 11 . 1 1 87 87 LYS H H 417 7.624 7.624 7.375 0.249 17742 7415 1 11 . 1 1 88 88 THR N N 418 112.426 112.426 110.167 2.259 17742 7416 1 11 . 1 1 88 88 THR HA H 418 4.372 4.372 4.332 0.040 17742 7417 1 11 . 1 1 88 88 THR CA C 418 59.786 59.786 58.097 1.689 17742 7418 1 11 . 1 1 88 88 THR CB C 418 68.040 68.040 68.624 -0.584 17742 7419 1 11 . 1 1 88 88 THR H H 418 8.787 8.787 9.152 -0.365 17742 7420 1 11 . 1 1 89 89 PRO HA H 419 3.654 3.654 3.137 0.517 17742 7421 1 11 . 1 1 89 89 PRO C C 419 177.412 177.412 178.345 -0.933 17742 7422 1 11 . 1 1 89 89 PRO CA C 419 65.712 65.712 66.042 -0.330 17742 7423 1 11 . 1 1 89 89 PRO CB C 419 31.762 31.762 31.636 0.126 17742 7424 1 11 . 1 1 90 90 ASP N N 420 114.221 114.221 115.115 -0.894 17742 7425 1 11 . 1 1 90 90 ASP HA H 420 4.224 4.224 4.331 -0.107 17742 7426 1 11 . 1 1 90 90 ASP C C 420 178.341 178.341 177.646 0.695 17742 7427 1 11 . 1 1 90 90 ASP CA C 420 56.657 56.657 56.376 0.281 17742 7428 1 11 . 1 1 90 90 ASP CB C 420 40.642 40.642 40.535 0.107 17742 7429 1 11 . 1 1 90 90 ASP H H 420 7.958 7.958 8.498 -0.540 17742 7430 1 11 . 1 1 91 91 GLU N N 421 119.443 119.443 118.076 1.367 17742 7431 1 11 . 1 1 91 91 GLU HA H 421 4.006 4.006 4.070 -0.064 17742 7432 1 11 . 1 1 91 91 GLU C C 421 179.238 179.238 178.917 0.321 17742 7433 1 11 . 1 1 91 91 GLU CA C 421 58.458 58.458 58.562 -0.104 17742 7434 1 11 . 1 1 91 91 GLU CB C 421 30.774 30.774 30.020 0.754 17742 7435 1 11 . 1 1 91 91 GLU H H 421 7.628 7.628 7.541 0.087 17742 7436 1 11 . 1 1 92 92 ILE N N 422 120.617 120.617 120.130 0.487 17742 7437 1 11 . 1 1 92 92 ILE HA H 422 3.589 3.589 3.566 0.023 17742 7438 1 11 . 1 1 92 92 ILE C C 422 178.124 178.124 176.598 1.526 17742 7439 1 11 . 1 1 92 92 ILE CA C 422 63.878 63.878 64.144 -0.266 17742 7440 1 11 . 1 1 92 92 ILE CB C 422 38.142 38.142 37.513 0.629 17742 7441 1 11 . 1 1 92 92 ILE H H 422 7.896 7.896 7.528 0.368 17742 7442 1 11 . 1 1 93 93 MET N N 423 117.857 117.857 116.043 1.814 17742 7443 1 11 . 1 1 93 93 MET HA H 423 4.365 4.365 4.276 0.089 17742 7444 1 11 . 1 1 93 93 MET C C 423 177.009 177.009 176.875 0.134 17742 7445 1 11 . 1 1 93 93 MET CA C 423 56.527 56.527 56.680 -0.153 17742 7446 1 11 . 1 1 93 93 MET CB C 423 32.617 32.617 31.592 1.025 17742 7447 1 11 . 1 1 93 93 MET H H 423 8.161 8.161 7.662 0.499 17742 7448 1 11 . 1 1 94 94 SER N N 424 114.591 114.591 114.218 0.373 17742 7449 1 11 . 1 1 94 94 SER HA H 424 4.406 4.406 4.258 0.148 17742 7450 1 11 . 1 1 94 94 SER C C 424 175.262 175.262 175.035 0.227 17742 7451 1 11 . 1 1 94 94 SER CA C 424 59.482 59.482 59.047 0.435 17742 7452 1 11 . 1 1 94 94 SER CB C 424 63.466 63.466 63.150 0.316 17742 7453 1 11 . 1 1 94 94 SER H H 424 7.744 7.744 7.551 0.193 17742 7454 1 11 . 1 1 95 95 GLY N N 425 109.590 109.590 107.863 1.727 17742 7455 1 11 . 1 1 95 95 GLY C C 425 174.197 174.197 176.083 -1.886 17742 7456 1 11 . 1 1 95 95 GLY CA C 425 45.122 45.122 44.970 0.152 17742 7457 1 11 . 1 1 95 95 GLY H H 425 7.970 7.970 7.491 0.479 17742 7458 1 11 . 1 1 96 96 ARG N N 426 119.792 119.792 120.296 -0.504 17742 7459 1 11 . 1 1 96 96 ARG HA H 426 4.567 4.567 4.403 0.164 17742 7460 1 11 . 1 1 96 96 ARG C C 426 177.866 177.866 177.532 0.334 17742 7461 1 11 . 1 1 96 96 ARG CA C 426 55.757 55.757 56.867 -1.110 17742 7462 1 11 . 1 1 96 96 ARG CB C 426 30.059 30.059 29.842 0.217 17742 7463 1 11 . 1 1 96 96 ARG H H 426 8.144 8.144 7.683 0.461 17742 7464 1 11 . 1 1 97 97 THR N N 427 114.770 114.770 111.229 3.541 17742 7465 1 11 . 1 1 97 97 THR HA H 427 4.221 4.221 4.309 -0.088 17742 7466 1 11 . 1 1 97 97 THR C C 427 175.449 175.449 174.907 0.542 17742 7467 1 11 . 1 1 97 97 THR CA C 427 63.411 63.411 64.855 -1.444 17742 7468 1 11 . 1 1 97 97 THR CB C 427 69.080 69.080 68.218 0.862 17742 7469 1 11 . 1 1 97 97 THR H H 427 8.427 8.427 8.052 0.375 17742 7470 1 11 . 1 1 98 98 ASP N N 428 122.017 122.017 121.899 0.118 17742 7471 1 11 . 1 1 98 98 ASP HA H 428 4.404 4.404 4.353 0.051 17742 7472 1 11 . 1 1 98 98 ASP C C 428 178.042 178.042 178.054 -0.012 17742 7473 1 11 . 1 1 98 98 ASP CA C 428 56.438 56.438 57.576 -1.138 17742 7474 1 11 . 1 1 98 98 ASP CB C 428 40.012 40.012 39.730 0.282 17742 7475 1 11 . 1 1 98 98 ASP H H 428 8.659 8.659 7.839 0.820 17742 7476 1 11 . 1 1 99 99 ARG N N 429 120.083 120.083 120.031 0.052 17742 7477 1 11 . 1 1 99 99 ARG HA H 429 4.190 4.190 4.128 0.062 17742 7478 1 11 . 1 1 99 99 ARG C C 429 178.236 178.236 178.397 -0.161 17742 7479 1 11 . 1 1 99 99 ARG CA C 429 58.307 58.307 58.701 -0.394 17742 7480 1 11 . 1 1 99 99 ARG CB C 429 30.073 30.073 30.047 0.027 17742 7481 1 11 . 1 1 99 99 ARG H H 429 8.011 8.011 7.964 0.047 17742 7482 1 11 . 1 1 100 100 LEU N N 430 119.784 119.784 121.166 -1.382 17742 7483 1 11 . 1 1 100 100 LEU HA H 430 4.048 4.048 4.076 -0.028 17742 7484 1 11 . 1 1 100 100 LEU C C 430 178.209 178.209 178.705 -0.496 17742 7485 1 11 . 1 1 100 100 LEU CA C 430 57.535 57.535 58.137 -0.602 17742 7486 1 11 . 1 1 100 100 LEU CB C 430 42.218 42.218 41.847 0.371 17742 7487 1 11 . 1 1 100 100 LEU H H 430 7.667 7.667 7.715 -0.048 17742 7488 1 11 . 1 1 101 101 GLU N N 431 119.434 119.434 118.443 0.991 17742 7489 1 11 . 1 1 101 101 GLU HA H 431 3.962 3.962 3.954 0.008 17742 7490 1 11 . 1 1 101 101 GLU C C 431 178.773 178.773 178.989 -0.216 17742 7491 1 11 . 1 1 101 101 GLU CA C 431 59.470 59.470 59.592 -0.122 17742 7492 1 11 . 1 1 101 101 GLU CB C 431 29.667 29.667 29.247 0.420 17742 7493 1 11 . 1 1 101 101 GLU H H 431 8.339 8.339 8.799 -0.460 17742 7494 1 11 . 1 1 102 102 HIS N N 432 118.026 118.026 118.851 -0.825 17742 7495 1 11 . 1 1 102 102 HIS HA H 432 4.463 4.463 4.373 0.090 17742 7496 1 11 . 1 1 102 102 HIS C C 432 177.322 177.322 177.873 -0.551 17742 7497 1 11 . 1 1 102 102 HIS CA C 432 58.432 58.432 58.586 -0.154 17742 7498 1 11 . 1 1 102 102 HIS CB C 432 29.237 29.237 30.480 -1.243 17742 7499 1 11 . 1 1 102 102 HIS H H 432 7.995 7.995 7.715 0.280 17742 7500 1 11 . 1 1 103 103 LEU N N 433 120.785 120.785 120.538 0.247 17742 7501 1 11 . 1 1 103 103 LEU HA H 433 3.971 3.971 4.142 -0.171 17742 7502 1 11 . 1 1 103 103 LEU C C 433 179.014 179.014 178.515 0.499 17742 7503 1 11 . 1 1 103 103 LEU CA C 433 57.570 57.570 57.462 0.108 17742 7504 1 11 . 1 1 103 103 LEU CB C 433 41.606 41.606 41.481 0.125 17742 7505 1 11 . 1 1 103 103 LEU H H 433 8.077 8.077 8.355 -0.278 17742 7506 1 11 . 1 1 104 104 GLU N N 434 119.107 119.107 118.472 0.635 17742 7507 1 11 . 1 1 104 104 GLU HA H 434 4.025 4.025 3.996 0.029 17742 7508 1 11 . 1 1 104 104 GLU C C 434 178.187 178.187 178.795 -0.608 17742 7509 1 11 . 1 1 104 104 GLU CA C 434 60.221 60.221 60.026 0.195 17742 7510 1 11 . 1 1 104 104 GLU CB C 434 30.104 30.104 29.743 0.361 17742 7511 1 11 . 1 1 104 104 GLU H H 434 8.443 8.443 8.865 -0.422 17742 7512 1 11 . 1 1 105 105 SER N N 435 114.129 114.129 112.423 1.706 17742 7513 1 11 . 1 1 105 105 SER HA H 435 4.204 4.204 4.137 0.067 17742 7514 1 11 . 1 1 105 105 SER C C 435 175.924 175.924 175.831 0.093 17742 7515 1 11 . 1 1 105 105 SER CA C 435 61.303 61.303 61.275 0.028 17742 7516 1 11 . 1 1 105 105 SER CB C 435 63.070 63.070 62.825 0.245 17742 7517 1 11 . 1 1 105 105 SER H H 435 8.041 8.041 8.110 -0.069 17742 7518 1 11 . 1 1 106 106 GLN N N 436 120.201 120.201 120.718 -0.517 17742 7519 1 11 . 1 1 106 106 GLN HA H 436 4.124 4.124 4.271 -0.147 17742 7520 1 11 . 1 1 106 106 GLN C C 436 178.242 178.242 178.392 -0.150 17742 7521 1 11 . 1 1 106 106 GLN CA C 436 58.242 58.242 57.996 0.246 17742 7522 1 11 . 1 1 106 106 GLN CB C 436 29.001 29.001 29.259 -0.258 17742 7523 1 11 . 1 1 106 106 GLN H H 436 7.823 7.823 7.816 0.007 17742 7524 1 11 . 1 1 107 107 VAL N N 437 117.503 117.503 120.218 -2.715 17742 7525 1 11 . 1 1 107 107 VAL HA H 437 3.955 3.955 4.057 -0.102 17742 7526 1 11 . 1 1 107 107 VAL C C 437 177.462 177.462 176.661 0.801 17742 7527 1 11 . 1 1 107 107 VAL CA C 437 64.414 64.414 65.217 -0.803 17742 7528 1 11 . 1 1 107 107 VAL CB C 437 32.192 32.192 32.067 0.125 17742 7529 1 11 . 1 1 107 107 VAL H H 437 7.711 7.711 8.428 -0.717 17742 7530 1 11 . 1 1 108 108 LEU HA H 438 4.072 4.072 4.221 -0.149 17742 7531 1 11 . 1 1 108 108 LEU C C 438 177.614 177.614 176.721 0.893 17742 7532 1 11 . 1 1 108 108 LEU CA C 438 56.521 56.521 55.176 1.345 17742 7533 1 11 . 1 1 108 108 LEU CB C 438 42.149 42.149 41.334 0.815 17742 7534 1 11 . 1 1 109 109 ASP N N 439 118.500 118.500 117.744 0.756 17742 7535 1 11 . 1 1 109 109 ASP HA H 439 4.685 4.685 4.723 -0.038 17742 7536 1 11 . 1 1 109 109 ASP C C 439 176.372 176.372 177.025 -0.653 17742 7537 1 11 . 1 1 109 109 ASP CA C 439 54.653 54.653 54.060 0.593 17742 7538 1 11 . 1 1 109 109 ASP CB C 439 41.425 41.425 42.456 -1.031 17742 7539 1 11 . 1 1 109 109 ASP H H 439 7.872 7.872 7.865 0.007 17742 7540 1 11 . 1 1 110 110 GLU N N 440 120.701 120.701 118.573 2.128 17742 7541 1 11 . 1 1 110 110 GLU HA H 440 4.188 4.188 4.069 0.119 17742 7542 1 11 . 1 1 110 110 GLU C C 440 176.739 176.739 176.869 -0.130 17742 7543 1 11 . 1 1 110 110 GLU CA C 440 57.310 57.310 58.524 -1.214 17742 7544 1 11 . 1 1 110 110 GLU CB C 440 30.091 30.091 30.013 0.078 17742 7545 1 11 . 1 1 110 110 GLU H H 440 7.929 7.929 8.127 -0.198 17742 7546 1 11 . 1 1 111 111 GLN N N 441 120.829 120.829 117.346 3.483 17742 7547 1 11 . 1 1 111 111 GLN HA H 441 4.341 4.341 4.397 -0.056 17742 7548 1 11 . 1 1 111 111 GLN C C 441 176.214 176.214 175.771 0.443 17742 7549 1 11 . 1 1 111 111 GLN CA C 441 56.103 56.103 55.181 0.923 17742 7550 1 11 . 1 1 111 111 GLN CB C 441 29.607 29.607 29.083 0.524 17742 7551 1 11 . 1 1 111 111 GLN H H 441 8.434 8.434 7.945 0.489 17742 7552 1 11 . 1 1 112 112 THR N N 442 114.861 114.861 117.011 -2.150 17742 7553 1 11 . 1 1 112 112 THR HA H 442 4.258 4.258 4.214 0.044 17742 7554 1 11 . 1 1 112 112 THR C C 442 174.095 174.095 174.613 -0.518 17742 7555 1 11 . 1 1 112 112 THR CA C 442 62.140 62.140 63.934 -1.794 17742 7556 1 11 . 1 1 112 112 THR CB C 442 69.870 69.870 69.514 0.356 17742 7557 1 11 . 1 1 112 112 THR H H 442 8.038 8.038 8.619 -0.581 17742 7558 1 11 . 1 1 113 113 TYR N N 443 122.709 122.709 116.147 6.562 17742 7559 1 11 . 1 1 113 113 TYR HA H 443 4.552 4.552 4.655 -0.103 17742 7560 1 11 . 1 1 113 113 TYR C C 443 175.303 175.303 173.534 1.769 17742 7561 1 11 . 1 1 113 113 TYR CA C 443 57.921 57.921 56.870 1.051 17742 7562 1 11 . 1 1 113 113 TYR CB C 443 38.982 38.982 39.356 -0.374 17742 7563 1 11 . 1 1 113 113 TYR H H 443 8.171 8.171 7.579 0.592 17742 7564 1 11 . 1 1 114 114 GLN N N 444 122.768 122.768 122.338 0.430 17742 7565 1 11 . 1 1 114 114 GLN HA H 444 4.284 4.284 4.094 0.190 17742 7566 1 11 . 1 1 114 114 GLN C C 444 175.372 175.372 174.773 0.599 17742 7567 1 11 . 1 1 114 114 GLN CA C 444 55.543 55.543 56.513 -0.970 17742 7568 1 11 . 1 1 114 114 GLN CB C 444 29.894 29.894 27.663 2.231 17742 7569 1 11 . 1 1 114 114 GLN H H 444 8.202 8.202 8.710 -0.508 17742 7570 1 11 . 1 1 115 115 GLU N N 445 122.370 122.370 124.322 -1.952 17742 7571 1 11 . 1 1 115 115 GLU HA H 445 4.225 4.225 4.004 0.221 17742 7572 1 11 . 1 1 115 115 GLU C C 445 176.058 176.058 175.696 0.362 17742 7573 1 11 . 1 1 115 115 GLU CA C 445 56.612 56.612 56.089 0.523 17742 7574 1 11 . 1 1 115 115 GLU CB C 445 30.517 30.517 30.062 0.455 17742 7575 1 11 . 1 1 115 115 GLU H H 445 8.371 8.371 7.756 0.615 17742 7576 1 11 . 1 1 116 116 ASP N N 446 121.090 121.090 126.305 -5.215 17742 7577 1 11 . 1 1 116 116 ASP HA H 446 4.595 4.595 4.725 -0.130 17742 7578 1 11 . 1 1 116 116 ASP C C 446 175.872 175.872 175.871 0.001 17742 7579 1 11 . 1 1 116 116 ASP CA C 446 54.382 54.382 54.826 -0.444 17742 7580 1 11 . 1 1 116 116 ASP CB C 446 41.402 41.402 42.095 -0.693 17742 7581 1 11 . 1 1 116 116 ASP H H 446 8.336 8.336 8.827 -0.491 17742 7582 1 11 . 1 1 117 117 GLU N N 447 121.977 121.977 120.242 1.735 17742 7583 1 11 . 1 1 117 117 GLU HA H 447 4.575 4.575 4.781 -0.206 17742 7584 1 11 . 1 1 117 117 GLU CA C 447 54.442 54.442 53.166 1.276 17742 7585 1 11 . 1 1 117 117 GLU CB C 447 30.254 30.254 31.448 -1.194 17742 7586 1 11 . 1 1 117 117 GLU H H 447 8.194 8.194 8.214 -0.020 17742 7587 1 11 . 1 1 118 118 PRO HA H 448 4.461 4.461 4.775 -0.314 17742 7588 1 11 . 1 1 118 118 PRO C C 448 177.160 177.160 176.063 1.097 17742 7589 1 11 . 1 1 118 118 PRO CA C 448 63.371 63.371 63.676 -0.305 17742 7590 1 11 . 1 1 118 118 PRO CB C 448 32.302 32.302 31.360 0.942 17742 7591 1 11 . 1 1 119 119 THR N N 449 114.788 114.788 117.001 -2.213 17742 7592 1 11 . 1 1 119 119 THR HA H 449 4.292 4.292 4.768 -0.476 17742 7593 1 11 . 1 1 119 119 THR C C 449 174.664 174.664 172.910 1.754 17742 7594 1 11 . 1 1 119 119 THR CA C 449 62.117 62.117 62.157 -0.040 17742 7595 1 11 . 1 1 119 119 THR CB C 449 69.861 69.861 70.467 -0.606 17742 7596 1 11 . 1 1 119 119 THR H H 449 8.235 8.235 8.390 -0.155 17742 7597 1 11 . 1 1 120 120 ILE N N 450 123.074 123.074 119.861 3.213 17742 7598 1 11 . 1 1 120 120 ILE HA H 450 4.169 4.169 4.109 0.060 17742 7599 1 11 . 1 1 120 120 ILE C C 450 175.683 175.683 176.812 -1.129 17742 7600 1 11 . 1 1 120 120 ILE CA C 450 60.987 60.987 60.998 -0.011 17742 7601 1 11 . 1 1 120 120 ILE CB C 450 38.983 38.983 39.102 -0.119 17742 7602 1 11 . 1 1 120 120 ILE H H 450 8.043 8.043 8.468 -0.425 17742 7603 1 11 . 1 1 121 121 ALA N N 451 128.011 128.011 122.359 5.652 17742 7604 1 11 . 1 1 121 121 ALA HA H 451 4.332 4.332 3.817 0.515 17742 7605 1 11 . 1 1 121 121 ALA C C 451 177.333 177.333 177.358 -0.025 17742 7606 1 11 . 1 1 121 121 ALA CA C 451 52.364 52.364 54.123 -1.759 17742 7607 1 11 . 1 1 121 121 ALA CB C 451 19.534 19.534 17.133 2.401 17742 7608 1 11 . 1 1 121 121 ALA H H 451 8.277 8.277 8.147 0.130 17742 7609 1 11 . 1 1 122 122 SER N N 452 116.575 116.575 117.037 -0.462 17742 7610 1 11 . 1 1 122 122 SER HA H 452 4.672 4.672 4.716 -0.044 17742 7611 1 11 . 1 1 122 122 SER CA C 452 56.230 56.230 55.175 1.055 17742 7612 1 11 . 1 1 122 122 SER CB C 452 63.460 63.460 64.194 -0.734 17742 7613 1 11 . 1 1 122 122 SER H H 452 8.161 8.161 7.881 0.280 17742 7614 1 11 . 1 1 123 123 PRO HA H 453 4.395 4.395 4.130 0.265 17742 7615 1 11 . 1 1 123 123 PRO C C 453 176.993 176.993 175.423 1.570 17742 7616 1 11 . 1 1 123 123 PRO CA C 453 63.303 63.303 63.526 -0.223 17742 7617 1 11 . 1 1 123 123 PRO CB C 453 32.149 32.149 31.499 0.650 17742 7618 1 11 . 1 1 124 124 VAL N N 454 119.733 119.733 122.660 -2.927 17742 7619 1 11 . 1 1 124 124 VAL HA H 454 4.010 4.010 4.086 -0.076 17742 7620 1 11 . 1 1 124 124 VAL CA C 454 62.674 62.674 61.101 1.573 17742 7621 1 11 . 1 1 124 124 VAL CB C 454 32.669 32.669 32.762 -0.093 17742 7622 1 11 . 1 1 124 124 VAL H H 454 8.058 8.058 7.803 0.255 17742 7623 1 11 . 1 1 125 125 GLY N N 455 111.901 111.901 112.518 -0.617 17742 7624 1 11 . 1 1 125 125 GLY CA C 455 45.152 45.152 44.991 0.161 17742 7625 1 11 . 1 1 125 125 GLY H H 455 8.255 8.255 7.885 0.370 17742 7626 1 11 . 1 1 126 126 TRP N N 456 122.405 122.405 123.402 -0.997 17742 7627 1 11 . 1 1 126 126 TRP HA H 456 4.929 4.929 5.062 -0.133 17742 7628 1 11 . 1 1 126 126 TRP CA C 456 55.029 55.029 54.188 0.841 17742 7629 1 11 . 1 1 126 126 TRP CB C 456 29.383 29.383 29.085 0.298 17742 7630 1 11 . 1 1 126 126 TRP H H 456 7.906 7.906 8.177 -0.271 17742 7631 1 11 . 1 1 127 127 PRO HA H 457 4.429 4.429 4.544 -0.115 17742 7632 1 11 . 1 1 127 127 PRO C C 457 175.951 175.951 176.130 -0.179 17742 7633 1 11 . 1 1 127 127 PRO CA C 457 63.558 63.558 62.434 1.124 17742 7634 1 11 . 1 1 127 127 PRO CB C 457 31.932 31.932 32.600 -0.668 17742 7635 1 12 . 1 1 5 5 ARG N N 335 123.607 123.607 120.189 3.418 17742 7636 1 12 . 1 1 5 5 ARG HA H 335 4.382 4.382 4.669 -0.287 17742 7637 1 12 . 1 1 5 5 ARG CA C 335 56.926 56.926 54.483 2.443 17742 7638 1 12 . 1 1 5 5 ARG H H 335 9.161 9.161 8.066 1.095 17742 7639 1 12 . 1 1 6 6 LEU N N 336 122.412 122.412 117.287 5.125 17742 7640 1 12 . 1 1 6 6 LEU CB C 336 42.172 42.172 41.230 0.942 17742 7641 1 12 . 1 1 6 6 LEU H H 336 8.775 8.775 8.389 0.386 17742 7642 1 12 . 1 1 7 7 LEU HA H 337 3.669 3.669 4.214 -0.545 17742 7643 1 12 . 1 1 7 7 LEU CA C 337 59.053 59.053 58.803 0.250 17742 7644 1 12 . 1 1 7 7 LEU CB C 337 40.447 40.447 41.877 -1.430 17742 7645 1 12 . 1 1 8 8 TRP N N 338 114.197 114.197 115.569 -1.372 17742 7646 1 12 . 1 1 8 8 TRP HA H 338 3.747 3.747 4.591 -0.844 17742 7647 1 12 . 1 1 8 8 TRP CA C 338 60.071 60.071 59.000 1.071 17742 7648 1 12 . 1 1 8 8 TRP CB C 338 28.481 28.481 28.461 0.020 17742 7649 1 12 . 1 1 8 8 TRP H H 338 7.595 7.595 7.444 0.151 17742 7650 1 12 . 1 1 9 9 ASP HA H 339 3.648 3.648 4.630 -0.982 17742 7651 1 12 . 1 1 9 9 ASP C C 339 177.491 177.491 177.822 -0.331 17742 7652 1 12 . 1 1 9 9 ASP CA C 339 56.197 56.197 57.079 -0.882 17742 7653 1 12 . 1 1 9 9 ASP CB C 339 41.702 41.702 40.974 0.728 17742 7654 1 12 . 1 1 10 10 TYR N N 340 120.786 120.786 121.969 -1.183 17742 7655 1 12 . 1 1 10 10 TYR HA H 340 3.851 3.851 4.027 -0.176 17742 7656 1 12 . 1 1 10 10 TYR C C 340 177.016 177.016 177.404 -0.388 17742 7657 1 12 . 1 1 10 10 TYR CA C 340 61.921 61.921 61.174 0.747 17742 7658 1 12 . 1 1 10 10 TYR CB C 340 39.202 39.202 38.497 0.705 17742 7659 1 12 . 1 1 10 10 TYR H H 340 7.929 7.929 7.524 0.405 17742 7660 1 12 . 1 1 11 11 VAL N N 341 114.828 114.828 118.787 -3.959 17742 7661 1 12 . 1 1 11 11 VAL HA H 341 2.982 2.982 3.469 -0.487 17742 7662 1 12 . 1 1 11 11 VAL C C 341 176.795 176.795 177.085 -0.290 17742 7663 1 12 . 1 1 11 11 VAL CA C 341 66.855 66.855 65.957 0.898 17742 7664 1 12 . 1 1 11 11 VAL CB C 341 31.152 31.152 31.898 -0.745 17742 7665 1 12 . 1 1 11 11 VAL H H 341 8.291 8.291 8.322 -0.031 17742 7666 1 12 . 1 1 12 12 TYR N N 342 119.177 119.177 119.410 -0.233 17742 7667 1 12 . 1 1 12 12 TYR HA H 342 3.617 3.617 3.816 -0.199 17742 7668 1 12 . 1 1 12 12 TYR C C 342 178.765 178.765 176.772 1.993 17742 7669 1 12 . 1 1 12 12 TYR CA C 342 62.960 62.960 61.020 1.940 17742 7670 1 12 . 1 1 12 12 TYR CB C 342 38.232 38.232 38.242 -0.010 17742 7671 1 12 . 1 1 12 12 TYR H H 342 7.712 7.712 7.654 0.058 17742 7672 1 12 . 1 1 13 13 GLN N N 343 118.873 118.873 118.166 0.707 17742 7673 1 12 . 1 1 13 13 GLN HA H 343 3.833 3.833 4.013 -0.180 17742 7674 1 12 . 1 1 13 13 GLN C C 343 179.917 179.917 178.574 1.343 17742 7675 1 12 . 1 1 13 13 GLN CA C 343 58.821 58.821 58.734 0.087 17742 7676 1 12 . 1 1 13 13 GLN CB C 343 27.649 27.649 28.488 -0.839 17742 7677 1 12 . 1 1 13 13 GLN H H 343 8.076 8.076 7.534 0.542 17742 7678 1 12 . 1 1 14 14 LEU N N 344 121.381 121.381 118.460 2.921 17742 7679 1 12 . 1 1 14 14 LEU HA H 344 3.611 3.611 3.719 -0.108 17742 7680 1 12 . 1 1 14 14 LEU C C 344 179.861 179.861 178.091 1.770 17742 7681 1 12 . 1 1 14 14 LEU CA C 344 58.121 58.121 56.808 1.313 17742 7682 1 12 . 1 1 14 14 LEU CB C 344 41.382 41.382 41.260 0.122 17742 7683 1 12 . 1 1 14 14 LEU H H 344 7.772 7.772 7.009 0.763 17742 7684 1 12 . 1 1 15 15 LEU N N 345 116.801 116.801 114.944 1.857 17742 7685 1 12 . 1 1 15 15 LEU HA H 345 3.513 3.513 3.938 -0.425 17742 7686 1 12 . 1 1 15 15 LEU C C 345 178.221 178.221 178.173 0.048 17742 7687 1 12 . 1 1 15 15 LEU CA C 345 56.568 56.568 56.505 0.063 17742 7688 1 12 . 1 1 15 15 LEU CB C 345 41.431 41.431 41.352 0.079 17742 7689 1 12 . 1 1 15 15 LEU H H 345 7.546 7.546 7.315 0.231 17742 7690 1 12 . 1 1 16 16 SER N N 346 112.511 112.511 112.763 -0.252 17742 7691 1 12 . 1 1 16 16 SER HA H 346 4.542 4.542 4.498 0.044 17742 7692 1 12 . 1 1 16 16 SER C C 346 172.510 172.510 174.824 -2.314 17742 7693 1 12 . 1 1 16 16 SER CA C 346 58.891 58.891 59.804 -0.913 17742 7694 1 12 . 1 1 16 16 SER CB C 346 63.993 63.993 64.085 -0.092 17742 7695 1 12 . 1 1 16 16 SER H H 346 7.277 7.277 7.701 -0.424 17742 7696 1 12 . 1 1 17 17 ASP N N 347 122.234 122.234 121.196 1.038 17742 7697 1 12 . 1 1 17 17 ASP HA H 347 4.969 4.969 4.854 0.115 17742 7698 1 12 . 1 1 17 17 ASP C C 347 175.703 175.703 177.134 -1.431 17742 7699 1 12 . 1 1 17 17 ASP CA C 347 52.761 52.761 53.297 -0.536 17742 7700 1 12 . 1 1 17 17 ASP CB C 347 43.427 43.427 43.365 0.062 17742 7701 1 12 . 1 1 17 17 ASP H H 347 7.353 7.353 7.597 -0.244 17742 7702 1 12 . 1 1 18 18 SER N N 348 120.139 120.139 120.464 -0.325 17742 7703 1 12 . 1 1 18 18 SER HA H 348 4.371 4.371 4.279 0.092 17742 7704 1 12 . 1 1 18 18 SER C C 348 176.259 176.259 176.102 0.157 17742 7705 1 12 . 1 1 18 18 SER CA C 348 61.131 61.131 60.629 0.502 17742 7706 1 12 . 1 1 18 18 SER CB C 348 63.177 63.177 63.292 -0.116 17742 7707 1 12 . 1 1 18 18 SER H H 348 8.691 8.691 8.745 -0.054 17742 7708 1 12 . 1 1 19 19 ARG N N 349 122.716 122.716 121.239 1.477 17742 7709 1 12 . 1 1 19 19 ARG HA H 349 4.114 4.114 4.046 0.068 17742 7710 1 12 . 1 1 19 19 ARG C C 349 178.154 178.154 177.773 0.381 17742 7711 1 12 . 1 1 19 19 ARG CA C 349 58.531 58.531 58.345 0.186 17742 7712 1 12 . 1 1 19 19 ARG CB C 349 29.794 29.794 29.069 0.725 17742 7713 1 12 . 1 1 19 19 ARG H H 349 8.586 8.586 7.507 1.079 17742 7714 1 12 . 1 1 20 20 TYR N N 350 116.201 116.201 118.957 -2.756 17742 7715 1 12 . 1 1 20 20 TYR HA H 350 4.883 4.883 4.782 0.101 17742 7716 1 12 . 1 1 20 20 TYR C C 350 177.029 177.029 176.452 0.577 17742 7717 1 12 . 1 1 20 20 TYR CA C 350 58.741 58.741 56.816 1.925 17742 7718 1 12 . 1 1 20 20 TYR CB C 350 37.642 37.642 36.591 1.051 17742 7719 1 12 . 1 1 20 20 TYR H H 350 8.291 8.291 7.281 1.010 17742 7720 1 12 . 1 1 21 21 GLU N N 351 120.803 120.803 121.852 -1.049 17742 7721 1 12 . 1 1 21 21 GLU HA H 351 4.466 4.466 4.299 0.167 17742 7722 1 12 . 1 1 21 21 GLU C C 351 176.324 176.324 178.537 -2.213 17742 7723 1 12 . 1 1 21 21 GLU CA C 351 59.132 59.132 59.104 0.028 17742 7724 1 12 . 1 1 21 21 GLU CB C 351 29.864 29.864 28.867 0.997 17742 7725 1 12 . 1 1 21 21 GLU H H 351 7.513 7.513 7.999 -0.486 17742 7726 1 12 . 1 1 22 22 ASN N N 352 114.531 114.531 116.413 -1.882 17742 7727 1 12 . 1 1 22 22 ASN HA H 352 4.492 4.492 4.573 -0.081 17742 7728 1 12 . 1 1 22 22 ASN C C 352 174.497 174.497 175.576 -1.079 17742 7729 1 12 . 1 1 22 22 ASN CA C 352 54.122 54.122 53.799 0.323 17742 7730 1 12 . 1 1 22 22 ASN CB C 352 36.935 36.935 38.687 -1.752 17742 7731 1 12 . 1 1 22 22 ASN H H 352 8.649 8.649 7.983 0.666 17742 7732 1 12 . 1 1 23 23 PHE N N 353 115.501 115.501 116.393 -0.892 17742 7733 1 12 . 1 1 23 23 PHE HA H 353 4.751 4.751 4.637 0.114 17742 7734 1 12 . 1 1 23 23 PHE C C 353 176.442 176.442 175.108 1.334 17742 7735 1 12 . 1 1 23 23 PHE CB C 353 41.502 41.502 41.741 -0.239 17742 7736 1 12 . 1 1 23 23 PHE H H 353 8.555 8.555 7.969 0.586 17742 7737 1 12 . 1 1 24 24 ILE N N 354 120.734 120.734 117.392 3.342 17742 7738 1 12 . 1 1 24 24 ILE HA H 354 5.059 5.059 4.996 0.063 17742 7739 1 12 . 1 1 24 24 ILE C C 354 179.332 179.332 173.123 6.209 17742 7740 1 12 . 1 1 24 24 ILE CA C 354 59.831 59.831 60.339 -0.508 17742 7741 1 12 . 1 1 24 24 ILE CB C 354 40.623 40.623 42.140 -1.517 17742 7742 1 12 . 1 1 24 24 ILE H H 354 8.428 8.428 8.771 -0.343 17742 7743 1 12 . 1 1 25 25 ARG N N 355 121.187 121.187 122.904 -1.717 17742 7744 1 12 . 1 1 25 25 ARG HA H 355 4.904 4.904 4.829 0.075 17742 7745 1 12 . 1 1 25 25 ARG C C 355 175.152 175.152 173.945 1.207 17742 7746 1 12 . 1 1 25 25 ARG CA C 355 54.529 54.529 54.565 -0.036 17742 7747 1 12 . 1 1 25 25 ARG CB C 355 33.599 33.599 33.715 -0.116 17742 7748 1 12 . 1 1 25 25 ARG H H 355 8.671 8.671 9.074 -0.403 17742 7749 1 12 . 1 1 26 26 TRP N N 356 122.024 122.024 122.578 -0.554 17742 7750 1 12 . 1 1 26 26 TRP HA H 356 4.884 4.884 4.737 0.147 17742 7751 1 12 . 1 1 26 26 TRP C C 356 176.642 176.642 176.623 0.019 17742 7752 1 12 . 1 1 26 26 TRP CA C 356 57.960 57.960 57.689 0.271 17742 7753 1 12 . 1 1 26 26 TRP CB C 356 30.634 30.634 29.793 0.841 17742 7754 1 12 . 1 1 26 26 TRP H H 356 9.159 9.159 8.941 0.218 17742 7755 1 12 . 1 1 27 27 GLU N N 357 125.331 125.331 123.426 1.905 17742 7756 1 12 . 1 1 27 27 GLU HA H 357 4.681 4.681 4.495 0.186 17742 7757 1 12 . 1 1 27 27 GLU C C 357 176.775 176.775 176.690 0.085 17742 7758 1 12 . 1 1 27 27 GLU CA C 357 56.990 56.990 57.530 -0.540 17742 7759 1 12 . 1 1 27 27 GLU CB C 357 31.579 31.579 30.852 0.728 17742 7760 1 12 . 1 1 27 27 GLU H H 357 9.504 9.504 8.739 0.765 17742 7761 1 12 . 1 1 28 28 ASP N N 358 116.213 116.213 121.437 -5.224 17742 7762 1 12 . 1 1 28 28 ASP HA H 358 4.771 4.771 5.004 -0.233 17742 7763 1 12 . 1 1 28 28 ASP C C 358 176.167 176.167 175.274 0.893 17742 7764 1 12 . 1 1 28 28 ASP CA C 358 53.541 53.541 53.871 -0.330 17742 7765 1 12 . 1 1 28 28 ASP CB C 358 41.932 41.932 41.747 0.185 17742 7766 1 12 . 1 1 28 28 ASP H H 358 7.846 7.846 8.604 -0.758 17742 7767 1 12 . 1 1 29 29 LYS N N 359 127.762 127.762 124.610 3.152 17742 7768 1 12 . 1 1 29 29 LYS HA H 359 3.157 3.157 3.237 -0.080 17742 7769 1 12 . 1 1 29 29 LYS C C 359 178.776 178.776 177.725 1.051 17742 7770 1 12 . 1 1 29 29 LYS CA C 359 60.229 60.229 59.050 1.179 17742 7771 1 12 . 1 1 29 29 LYS CB C 359 32.734 32.734 32.187 0.547 17742 7772 1 12 . 1 1 29 29 LYS H H 359 9.216 9.216 8.697 0.519 17742 7773 1 12 . 1 1 30 30 GLU N N 360 119.601 119.601 119.263 0.338 17742 7774 1 12 . 1 1 30 30 GLU HA H 360 3.925 3.925 4.075 -0.150 17742 7775 1 12 . 1 1 30 30 GLU C C 360 178.684 178.684 177.338 1.346 17742 7776 1 12 . 1 1 30 30 GLU CA C 360 59.570 59.570 58.509 1.061 17742 7777 1 12 . 1 1 30 30 GLU CB C 360 29.177 29.177 29.491 -0.314 17742 7778 1 12 . 1 1 30 30 GLU H H 360 8.340 8.340 8.485 -0.145 17742 7779 1 12 . 1 1 31 31 SER N N 361 113.301 113.301 112.629 0.672 17742 7780 1 12 . 1 1 31 31 SER HA H 361 4.494 4.494 4.431 0.063 17742 7781 1 12 . 1 1 31 31 SER C C 361 172.357 172.357 174.835 -2.478 17742 7782 1 12 . 1 1 31 31 SER CA C 361 58.807 58.807 58.866 -0.059 17742 7783 1 12 . 1 1 31 31 SER CB C 361 63.768 63.768 63.967 -0.199 17742 7784 1 12 . 1 1 31 31 SER H H 361 7.463 7.463 7.626 -0.163 17742 7785 1 12 . 1 1 32 32 LYS N N 362 115.170 115.170 115.410 -0.240 17742 7786 1 12 . 1 1 32 32 LYS HA H 362 3.910 3.910 4.266 -0.356 17742 7787 1 12 . 1 1 32 32 LYS C C 362 175.500 175.500 175.295 0.205 17742 7788 1 12 . 1 1 32 32 LYS CA C 362 57.630 57.630 57.038 0.592 17742 7789 1 12 . 1 1 32 32 LYS CB C 362 29.801 29.801 30.294 -0.493 17742 7790 1 12 . 1 1 32 32 LYS H H 362 7.752 7.752 7.659 0.093 17742 7791 1 12 . 1 1 33 33 ILE N N 363 118.274 118.274 121.103 -2.829 17742 7792 1 12 . 1 1 33 33 ILE HA H 363 5.375 5.375 5.006 0.369 17742 7793 1 12 . 1 1 33 33 ILE C C 363 177.068 177.068 175.792 1.276 17742 7794 1 12 . 1 1 33 33 ILE CA C 363 60.428 60.428 59.669 0.759 17742 7795 1 12 . 1 1 33 33 ILE CB C 363 40.206 40.206 37.182 3.024 17742 7796 1 12 . 1 1 33 33 ILE H H 363 8.262 8.262 8.401 -0.139 17742 7797 1 12 . 1 1 34 34 PHE N N 364 128.285 128.285 126.758 1.527 17742 7798 1 12 . 1 1 34 34 PHE HA H 364 5.566 5.566 5.220 0.346 17742 7799 1 12 . 1 1 34 34 PHE C C 364 179.560 179.560 173.042 6.518 17742 7800 1 12 . 1 1 34 34 PHE CA C 364 55.080 55.080 55.028 0.052 17742 7801 1 12 . 1 1 34 34 PHE CB C 364 44.097 44.097 42.689 1.408 17742 7802 1 12 . 1 1 34 34 PHE H H 364 9.936 9.936 9.011 0.925 17742 7803 1 12 . 1 1 35 35 ARG N N 365 120.953 120.953 123.539 -2.586 17742 7804 1 12 . 1 1 35 35 ARG HA H 365 5.484 5.484 4.648 0.836 17742 7805 1 12 . 1 1 35 35 ARG C C 365 176.522 176.522 174.549 1.973 17742 7806 1 12 . 1 1 35 35 ARG CA C 365 53.584 53.584 53.648 -0.064 17742 7807 1 12 . 1 1 35 35 ARG CB C 365 36.439 36.439 33.633 2.806 17742 7808 1 12 . 1 1 35 35 ARG H H 365 9.430 9.430 9.238 0.192 17742 7809 1 12 . 1 1 36 36 ILE N N 366 125.455 125.455 127.906 -2.451 17742 7810 1 12 . 1 1 36 36 ILE HA H 366 4.201 4.201 4.045 0.156 17742 7811 1 12 . 1 1 36 36 ILE C C 366 173.923 173.923 175.095 -1.172 17742 7812 1 12 . 1 1 36 36 ILE CA C 366 63.110 63.110 62.117 0.993 17742 7813 1 12 . 1 1 36 36 ILE CB C 366 37.964 37.964 37.559 0.406 17742 7814 1 12 . 1 1 36 36 ILE H H 366 8.639 8.639 8.284 0.355 17742 7815 1 12 . 1 1 37 37 VAL N N 367 129.251 129.251 128.076 1.175 17742 7816 1 12 . 1 1 37 37 VAL HA H 367 3.674 3.674 3.828 -0.154 17742 7817 1 12 . 1 1 37 37 VAL C C 367 175.948 175.948 175.901 0.047 17742 7818 1 12 . 1 1 37 37 VAL CA C 367 64.171 64.171 65.096 -0.925 17742 7819 1 12 . 1 1 37 37 VAL CB C 367 32.870 32.870 32.545 0.325 17742 7820 1 12 . 1 1 37 37 VAL H H 367 7.839 7.839 8.654 -0.815 17742 7821 1 12 . 1 1 38 38 ASP N N 368 114.991 114.991 119.294 -4.303 17742 7822 1 12 . 1 1 38 38 ASP HA H 368 5.213 5.213 5.023 0.190 17742 7823 1 12 . 1 1 38 38 ASP CA C 368 50.242 50.242 50.494 -0.252 17742 7824 1 12 . 1 1 38 38 ASP CB C 368 42.169 42.169 41.934 0.235 17742 7825 1 12 . 1 1 38 38 ASP H H 368 7.279 7.279 7.796 -0.517 17742 7826 1 12 . 1 1 39 39 PRO HA H 369 3.794 3.794 4.357 -0.563 17742 7827 1 12 . 1 1 39 39 PRO C C 369 178.037 178.037 178.376 -0.339 17742 7828 1 12 . 1 1 39 39 PRO CA C 369 65.619 65.619 65.444 0.175 17742 7829 1 12 . 1 1 39 39 PRO CB C 369 31.057 31.057 31.851 -0.794 17742 7830 1 12 . 1 1 40 40 ASN N N 370 115.439 115.439 116.995 -1.556 17742 7831 1 12 . 1 1 40 40 ASN HA H 370 4.596 4.596 4.598 -0.002 17742 7832 1 12 . 1 1 40 40 ASN C C 370 178.570 178.570 177.795 0.775 17742 7833 1 12 . 1 1 40 40 ASN CA C 370 56.501 56.501 56.319 0.182 17742 7834 1 12 . 1 1 40 40 ASN CB C 370 38.012 38.012 38.178 -0.166 17742 7835 1 12 . 1 1 40 40 ASN H H 370 8.121 8.121 8.222 -0.101 17742 7836 1 12 . 1 1 41 41 GLY N N 371 111.317 111.317 108.951 2.366 17742 7837 1 12 . 1 1 41 41 GLY C C 371 176.090 176.090 176.756 -0.666 17742 7838 1 12 . 1 1 41 41 GLY CA C 371 47.932 47.932 47.100 0.832 17742 7839 1 12 . 1 1 41 41 GLY H H 371 8.622 8.622 8.936 -0.314 17742 7840 1 12 . 1 1 42 42 LEU N N 372 122.892 122.892 123.689 -0.797 17742 7841 1 12 . 1 1 42 42 LEU HA H 372 4.031 4.031 4.266 -0.235 17742 7842 1 12 . 1 1 42 42 LEU C C 372 177.766 177.766 178.929 -1.163 17742 7843 1 12 . 1 1 42 42 LEU CA C 372 57.830 57.830 57.915 -0.085 17742 7844 1 12 . 1 1 42 42 LEU CB C 372 42.132 42.132 41.316 0.816 17742 7845 1 12 . 1 1 42 42 LEU H H 372 8.881 8.881 8.859 0.022 17742 7846 1 12 . 1 1 43 43 ALA N N 373 120.112 120.112 121.482 -1.370 17742 7847 1 12 . 1 1 43 43 ALA HA H 373 4.458 4.458 4.079 0.379 17742 7848 1 12 . 1 1 43 43 ALA C C 373 179.093 179.093 179.668 -0.575 17742 7849 1 12 . 1 1 43 43 ALA CA C 373 55.451 55.451 55.410 0.041 17742 7850 1 12 . 1 1 43 43 ALA CB C 373 18.324 18.324 18.490 -0.166 17742 7851 1 12 . 1 1 43 43 ALA H H 373 8.072 8.072 8.693 -0.621 17742 7852 1 12 . 1 1 44 44 ARG N N 374 117.916 117.916 118.931 -1.015 17742 7853 1 12 . 1 1 44 44 ARG HA H 374 4.093 4.093 4.145 -0.052 17742 7854 1 12 . 1 1 44 44 ARG C C 374 179.473 179.473 179.063 0.410 17742 7855 1 12 . 1 1 44 44 ARG CA C 374 59.372 59.372 59.522 -0.150 17742 7856 1 12 . 1 1 44 44 ARG CB C 374 30.114 30.114 30.277 -0.163 17742 7857 1 12 . 1 1 44 44 ARG H H 374 7.769 7.769 7.968 -0.199 17742 7858 1 12 . 1 1 45 45 LEU N N 375 121.489 121.489 121.205 0.284 17742 7859 1 12 . 1 1 45 45 LEU HA H 375 4.007 4.007 4.044 -0.037 17742 7860 1 12 . 1 1 45 45 LEU C C 375 180.049 180.049 178.945 1.104 17742 7861 1 12 . 1 1 45 45 LEU CA C 375 58.390 58.390 58.173 0.217 17742 7862 1 12 . 1 1 45 45 LEU CB C 375 41.552 41.552 41.770 -0.218 17742 7863 1 12 . 1 1 45 45 LEU H H 375 7.903 7.903 8.536 -0.633 17742 7864 1 12 . 1 1 46 46 TRP N N 376 121.466 121.466 121.181 0.285 17742 7865 1 12 . 1 1 46 46 TRP HA H 376 4.089 4.089 3.745 0.344 17742 7866 1 12 . 1 1 46 46 TRP C C 376 177.939 177.939 178.528 -0.589 17742 7867 1 12 . 1 1 46 46 TRP CA C 376 60.022 60.022 60.638 -0.616 17742 7868 1 12 . 1 1 46 46 TRP CB C 376 28.817 28.817 29.041 -0.224 17742 7869 1 12 . 1 1 46 46 TRP H H 376 8.633 8.633 8.581 0.052 17742 7870 1 12 . 1 1 47 47 GLY N N 377 105.142 105.142 106.163 -1.021 17742 7871 1 12 . 1 1 47 47 GLY C C 377 176.128 176.128 175.882 0.246 17742 7872 1 12 . 1 1 47 47 GLY CA C 377 48.035 48.035 47.022 1.013 17742 7873 1 12 . 1 1 47 47 GLY H H 377 8.828 8.828 8.738 0.090 17742 7874 1 12 . 1 1 48 48 ASN N N 378 120.327 120.327 121.342 -1.015 17742 7875 1 12 . 1 1 48 48 ASN HA H 378 4.402 4.402 4.376 0.026 17742 7876 1 12 . 1 1 48 48 ASN C C 378 178.625 178.625 177.774 0.851 17742 7877 1 12 . 1 1 48 48 ASN CA C 378 56.231 56.231 55.679 0.552 17742 7878 1 12 . 1 1 48 48 ASN CB C 378 38.132 38.132 38.414 -0.282 17742 7879 1 12 . 1 1 48 48 ASN H H 378 8.212 8.212 8.276 -0.064 17742 7880 1 12 . 1 1 49 49 HIS N N 379 121.871 121.871 119.251 2.620 17742 7881 1 12 . 1 1 49 49 HIS HA H 379 4.205 4.205 4.361 -0.156 17742 7882 1 12 . 1 1 49 49 HIS C C 379 176.086 176.086 175.811 0.275 17742 7883 1 12 . 1 1 49 49 HIS CA C 379 59.390 59.390 57.973 1.417 17742 7884 1 12 . 1 1 49 49 HIS CB C 379 29.564 29.564 29.581 -0.017 17742 7885 1 12 . 1 1 49 49 HIS H H 379 8.094 8.094 7.492 0.602 17742 7886 1 12 . 1 1 50 50 LYS N N 380 115.181 115.181 117.609 -2.428 17742 7887 1 12 . 1 1 50 50 LYS HA H 380 3.911 3.911 4.170 -0.259 17742 7888 1 12 . 1 1 50 50 LYS C C 380 175.348 175.348 174.831 0.517 17742 7889 1 12 . 1 1 50 50 LYS CA C 380 53.632 53.632 54.312 -0.680 17742 7890 1 12 . 1 1 50 50 LYS CB C 380 30.742 30.742 31.259 -0.517 17742 7891 1 12 . 1 1 50 50 LYS H H 380 7.482 7.482 7.250 0.232 17742 7892 1 12 . 1 1 51 51 ASN N N 381 116.362 116.362 113.757 2.605 17742 7893 1 12 . 1 1 51 51 ASN HA H 381 4.259 4.259 4.153 0.106 17742 7894 1 12 . 1 1 51 51 ASN C C 381 174.400 174.400 174.653 -0.253 17742 7895 1 12 . 1 1 51 51 ASN CA C 381 54.312 54.312 54.306 0.007 17742 7896 1 12 . 1 1 51 51 ASN CB C 381 37.272 37.272 37.048 0.224 17742 7897 1 12 . 1 1 51 51 ASN H H 381 7.753 7.753 7.556 0.197 17742 7898 1 12 . 1 1 52 52 ARG N N 382 117.723 117.723 118.533 -0.810 17742 7899 1 12 . 1 1 52 52 ARG HA H 382 4.658 4.658 4.609 0.049 17742 7900 1 12 . 1 1 52 52 ARG C C 382 176.209 176.209 176.055 0.154 17742 7901 1 12 . 1 1 52 52 ARG CA C 382 53.668 53.668 54.220 -0.552 17742 7902 1 12 . 1 1 52 52 ARG CB C 382 32.212 32.212 31.584 0.628 17742 7903 1 12 . 1 1 52 52 ARG H H 382 8.476 8.476 8.083 0.393 17742 7904 1 12 . 1 1 53 53 THR N N 383 114.109 114.109 115.638 -1.529 17742 7905 1 12 . 1 1 53 53 THR HA H 383 4.221 4.221 4.230 -0.009 17742 7906 1 12 . 1 1 53 53 THR C C 383 174.644 174.644 175.480 -0.836 17742 7907 1 12 . 1 1 53 53 THR CA C 383 62.187 62.187 63.258 -1.071 17742 7908 1 12 . 1 1 53 53 THR CB C 383 69.710 69.710 68.991 0.719 17742 7909 1 12 . 1 1 53 53 THR H H 383 8.333 8.333 8.393 -0.060 17742 7910 1 12 . 1 1 54 54 ASN N N 384 118.768 118.768 121.625 -2.857 17742 7911 1 12 . 1 1 54 54 ASN HA H 384 4.609 4.609 4.714 -0.105 17742 7912 1 12 . 1 1 54 54 ASN C C 384 174.975 174.975 173.728 1.247 17742 7913 1 12 . 1 1 54 54 ASN CA C 384 53.193 53.193 53.484 -0.291 17742 7914 1 12 . 1 1 54 54 ASN CB C 384 37.632 37.632 37.044 0.588 17742 7915 1 12 . 1 1 54 54 ASN H H 384 8.521 8.521 8.481 0.040 17742 7916 1 12 . 1 1 55 55 MET N N 385 119.621 119.621 122.069 -2.448 17742 7917 1 12 . 1 1 55 55 MET HA H 385 4.566 4.566 4.707 -0.141 17742 7918 1 12 . 1 1 55 55 MET C C 385 175.078 175.078 173.974 1.104 17742 7919 1 12 . 1 1 55 55 MET CA C 385 55.298 55.298 54.275 1.023 17742 7920 1 12 . 1 1 55 55 MET CB C 385 31.244 31.244 34.621 -3.377 17742 7921 1 12 . 1 1 55 55 MET H H 385 8.162 8.162 7.957 0.205 17742 7922 1 12 . 1 1 56 56 THR N N 386 113.114 113.114 120.784 -7.670 17742 7923 1 12 . 1 1 56 56 THR HA H 386 4.824 4.824 4.676 0.148 17742 7924 1 12 . 1 1 56 56 THR C C 386 175.549 175.549 174.476 1.073 17742 7925 1 12 . 1 1 56 56 THR CA C 386 59.060 59.060 60.121 -1.061 17742 7926 1 12 . 1 1 56 56 THR CB C 386 72.290 72.290 71.344 0.946 17742 7927 1 12 . 1 1 56 56 THR H H 386 7.031 7.031 8.052 -1.021 17742 7928 1 12 . 1 1 57 57 TYR N N 387 123.401 123.401 124.435 -1.034 17742 7929 1 12 . 1 1 57 57 TYR HA H 387 4.134 4.134 4.161 -0.027 17742 7930 1 12 . 1 1 57 57 TYR C C 387 177.304 177.304 176.967 0.337 17742 7931 1 12 . 1 1 57 57 TYR CA C 387 62.300 62.300 62.964 -0.664 17742 7932 1 12 . 1 1 57 57 TYR CB C 387 37.359 37.359 38.480 -1.121 17742 7933 1 12 . 1 1 57 57 TYR H H 387 9.691 9.691 9.038 0.653 17742 7934 1 12 . 1 1 58 58 GLU N N 388 120.999 120.999 118.740 2.259 17742 7935 1 12 . 1 1 58 58 GLU HA H 388 3.823 3.823 4.030 -0.207 17742 7936 1 12 . 1 1 58 58 GLU C C 388 179.213 179.213 178.463 0.750 17742 7937 1 12 . 1 1 58 58 GLU CA C 388 60.477 60.477 59.491 0.986 17742 7938 1 12 . 1 1 58 58 GLU CB C 388 28.895 28.895 28.784 0.112 17742 7939 1 12 . 1 1 58 58 GLU H H 388 8.838 8.838 9.087 -0.249 17742 7940 1 12 . 1 1 59 59 LYS N N 389 118.962 118.962 117.629 1.333 17742 7941 1 12 . 1 1 59 59 LYS HA H 389 3.939 3.939 4.123 -0.184 17742 7942 1 12 . 1 1 59 59 LYS C C 389 178.797 178.797 178.605 0.192 17742 7943 1 12 . 1 1 59 59 LYS CA C 389 60.065 60.065 58.697 1.369 17742 7944 1 12 . 1 1 59 59 LYS CB C 389 33.378 33.378 32.326 1.052 17742 7945 1 12 . 1 1 59 59 LYS H H 389 7.506 7.506 7.913 -0.407 17742 7946 1 12 . 1 1 60 60 MET N N 390 120.087 120.087 118.992 1.095 17742 7947 1 12 . 1 1 60 60 MET HA H 390 3.869 3.869 4.349 -0.480 17742 7948 1 12 . 1 1 60 60 MET C C 390 178.146 178.146 177.637 0.509 17742 7949 1 12 . 1 1 60 60 MET CA C 390 59.776 59.776 57.175 2.601 17742 7950 1 12 . 1 1 60 60 MET CB C 390 33.462 33.462 32.919 0.543 17742 7951 1 12 . 1 1 60 60 MET H H 390 8.051 8.051 7.873 0.178 17742 7952 1 12 . 1 1 61 61 SER N N 391 114.537 114.537 115.484 -0.947 17742 7953 1 12 . 1 1 61 61 SER HA H 391 3.786 3.786 3.847 -0.061 17742 7954 1 12 . 1 1 61 61 SER C C 391 176.380 176.380 176.298 0.082 17742 7955 1 12 . 1 1 61 61 SER CA C 391 61.600 61.600 61.340 0.260 17742 7956 1 12 . 1 1 61 61 SER CB C 391 62.251 62.251 62.453 -0.202 17742 7957 1 12 . 1 1 61 61 SER H H 391 8.853 8.853 8.653 0.200 17742 7958 1 12 . 1 1 62 62 ARG N N 392 122.214 122.214 121.515 0.699 17742 7959 1 12 . 1 1 62 62 ARG HA H 392 3.928 3.928 4.044 -0.116 17742 7960 1 12 . 1 1 62 62 ARG C C 392 178.732 178.732 178.226 0.506 17742 7961 1 12 . 1 1 62 62 ARG CA C 392 59.490 59.490 58.531 0.959 17742 7962 1 12 . 1 1 62 62 ARG CB C 392 30.207 30.207 29.400 0.807 17742 7963 1 12 . 1 1 62 62 ARG H H 392 7.471 7.471 7.593 -0.122 17742 7964 1 12 . 1 1 63 63 ALA N N 393 121.091 121.091 121.097 -0.006 17742 7965 1 12 . 1 1 63 63 ALA HA H 393 4.162 4.162 4.173 -0.011 17742 7966 1 12 . 1 1 63 63 ALA C C 393 179.699 179.699 178.866 0.833 17742 7967 1 12 . 1 1 63 63 ALA CA C 393 54.722 54.722 54.361 0.360 17742 7968 1 12 . 1 1 63 63 ALA CB C 393 18.154 18.154 18.256 -0.102 17742 7969 1 12 . 1 1 63 63 ALA H H 393 7.376 7.376 7.350 0.026 17742 7970 1 12 . 1 1 64 64 LEU N N 394 117.568 117.568 117.848 -0.280 17742 7971 1 12 . 1 1 64 64 LEU HA H 394 3.777 3.777 3.013 0.764 17742 7972 1 12 . 1 1 64 64 LEU C C 394 178.085 178.085 178.341 -0.256 17742 7973 1 12 . 1 1 64 64 LEU CA C 394 58.075 58.075 56.753 1.322 17742 7974 1 12 . 1 1 64 64 LEU CB C 394 41.052 41.052 40.900 0.152 17742 7975 1 12 . 1 1 64 64 LEU H H 394 7.853 7.853 6.904 0.949 17742 7976 1 12 . 1 1 65 65 ARG N N 395 116.111 116.111 117.974 -1.863 17742 7977 1 12 . 1 1 65 65 ARG HA H 395 3.529 3.529 4.103 -0.574 17742 7978 1 12 . 1 1 65 65 ARG C C 395 179.519 179.519 178.983 0.536 17742 7979 1 12 . 1 1 65 65 ARG CA C 395 59.133 59.133 58.801 0.332 17742 7980 1 12 . 1 1 65 65 ARG CB C 395 30.004 30.004 28.962 1.042 17742 7981 1 12 . 1 1 65 65 ARG H H 395 7.521 7.521 8.102 -0.581 17742 7982 1 12 . 1 1 66 66 HIS N N 396 118.081 118.081 117.531 0.550 17742 7983 1 12 . 1 1 66 66 HIS HA H 396 4.436 4.436 4.468 -0.032 17742 7984 1 12 . 1 1 66 66 HIS C C 396 177.826 177.826 177.932 -0.106 17742 7985 1 12 . 1 1 66 66 HIS CA C 396 59.063 59.063 59.611 -0.548 17742 7986 1 12 . 1 1 66 66 HIS CB C 396 30.154 30.154 29.927 0.227 17742 7987 1 12 . 1 1 66 66 HIS H H 396 7.241 7.241 7.537 -0.296 17742 7988 1 12 . 1 1 67 67 TYR N N 397 116.301 116.301 118.904 -2.603 17742 7989 1 12 . 1 1 67 67 TYR HA H 397 4.128 4.128 4.232 -0.104 17742 7990 1 12 . 1 1 67 67 TYR C C 397 179.075 179.075 178.157 0.918 17742 7991 1 12 . 1 1 67 67 TYR CA C 397 61.525 61.525 59.092 2.433 17742 7992 1 12 . 1 1 67 67 TYR CB C 397 37.522 37.522 36.512 1.010 17742 7993 1 12 . 1 1 67 67 TYR H H 397 7.532 7.532 7.574 -0.042 17742 7994 1 12 . 1 1 68 68 TYR N N 398 121.389 121.389 117.517 3.872 17742 7995 1 12 . 1 1 68 68 TYR HA H 398 5.474 5.474 4.642 0.832 17742 7996 1 12 . 1 1 68 68 TYR C C 398 172.285 172.285 178.015 -5.730 17742 7997 1 12 . 1 1 68 68 TYR CA C 398 57.651 57.651 59.800 -2.149 17742 7998 1 12 . 1 1 68 68 TYR CB C 398 37.055 37.055 37.624 -0.569 17742 7999 1 12 . 1 1 68 68 TYR H H 398 8.061 8.061 7.766 0.295 17742 8000 1 12 . 1 1 69 69 LYS N N 399 121.098 121.098 118.100 2.998 17742 8001 1 12 . 1 1 69 69 LYS HA H 399 4.125 4.125 4.264 -0.139 17742 8002 1 12 . 1 1 69 69 LYS C C 399 178.122 178.122 177.891 0.231 17742 8003 1 12 . 1 1 69 69 LYS CA C 399 58.801 58.801 57.193 1.608 17742 8004 1 12 . 1 1 69 69 LYS CB C 399 32.242 32.242 32.365 -0.123 17742 8005 1 12 . 1 1 69 69 LYS H H 399 7.799 7.799 7.783 0.016 17742 8006 1 12 . 1 1 70 70 LEU N N 400 116.117 116.117 118.792 -2.675 17742 8007 1 12 . 1 1 70 70 LEU HA H 400 4.312 4.312 4.256 0.056 17742 8008 1 12 . 1 1 70 70 LEU C C 400 175.903 175.903 176.125 -0.222 17742 8009 1 12 . 1 1 70 70 LEU CA C 400 54.642 54.642 54.986 -0.344 17742 8010 1 12 . 1 1 70 70 LEU CB C 400 42.796 42.796 41.101 1.695 17742 8011 1 12 . 1 1 70 70 LEU H H 400 7.257 7.257 8.324 -1.067 17742 8012 1 12 . 1 1 71 71 ASN N N 401 115.181 115.181 112.088 3.093 17742 8013 1 12 . 1 1 71 71 ASN HA H 401 4.368 4.368 4.367 0.001 17742 8014 1 12 . 1 1 71 71 ASN C C 401 173.597 173.597 175.606 -2.009 17742 8015 1 12 . 1 1 71 71 ASN CA C 401 54.622 54.622 54.178 0.444 17742 8016 1 12 . 1 1 71 71 ASN CB C 401 37.252 37.252 36.036 1.216 17742 8017 1 12 . 1 1 71 71 ASN H H 401 8.061 8.061 8.117 -0.056 17742 8018 1 12 . 1 1 72 72 ILE N N 402 114.031 114.031 117.526 -3.495 17742 8019 1 12 . 1 1 72 72 ILE HA H 402 4.128 4.128 3.962 0.166 17742 8020 1 12 . 1 1 72 72 ILE C C 402 176.467 176.467 175.359 1.108 17742 8021 1 12 . 1 1 72 72 ILE CA C 402 63.720 63.720 64.146 -0.426 17742 8022 1 12 . 1 1 72 72 ILE CB C 402 40.491 40.491 39.141 1.350 17742 8023 1 12 . 1 1 72 72 ILE H H 402 8.104 8.104 8.221 -0.117 17742 8024 1 12 . 1 1 73 73 ILE N N 403 116.973 116.973 117.567 -0.594 17742 8025 1 12 . 1 1 73 73 ILE HA H 403 5.014 5.014 5.113 -0.099 17742 8026 1 12 . 1 1 73 73 ILE C C 403 174.039 174.039 174.057 -0.018 17742 8027 1 12 . 1 1 73 73 ILE CA C 403 59.357 59.357 59.514 -0.157 17742 8028 1 12 . 1 1 73 73 ILE CB C 403 43.362 43.362 41.119 2.243 17742 8029 1 12 . 1 1 73 73 ILE H H 403 7.099 7.099 7.428 -0.329 17742 8030 1 12 . 1 1 74 74 ARG N N 404 123.639 123.639 126.986 -3.347 17742 8031 1 12 . 1 1 74 74 ARG HA H 404 4.771 4.771 4.940 -0.169 17742 8032 1 12 . 1 1 74 74 ARG C C 404 174.917 174.917 174.714 0.203 17742 8033 1 12 . 1 1 74 74 ARG CA C 404 54.261 54.261 53.897 0.364 17742 8034 1 12 . 1 1 74 74 ARG CB C 404 34.689 34.689 33.541 1.149 17742 8035 1 12 . 1 1 74 74 ARG H H 404 8.983 8.983 8.400 0.583 17742 8036 1 12 . 1 1 75 75 LYS N N 405 125.665 125.665 121.641 4.024 17742 8037 1 12 . 1 1 75 75 LYS HA H 405 4.071 4.071 4.651 -0.580 17742 8038 1 12 . 1 1 75 75 LYS C C 405 176.525 176.525 176.129 0.396 17742 8039 1 12 . 1 1 75 75 LYS CA C 405 56.470 56.470 55.600 0.870 17742 8040 1 12 . 1 1 75 75 LYS CB C 405 32.649 32.649 33.132 -0.483 17742 8041 1 12 . 1 1 75 75 LYS H H 405 8.263 8.263 8.426 -0.163 17742 8042 1 12 . 1 1 76 76 GLU N N 406 128.072 128.072 124.762 3.310 17742 8043 1 12 . 1 1 76 76 GLU HA H 406 4.432 4.432 4.378 0.054 17742 8044 1 12 . 1 1 76 76 GLU CA C 406 53.747 53.747 54.938 -1.191 17742 8045 1 12 . 1 1 76 76 GLU CB C 406 29.914 29.914 29.513 0.401 17742 8046 1 12 . 1 1 76 76 GLU H H 406 8.024 8.024 8.923 -0.899 17742 8047 1 12 . 1 1 77 77 PRO HA H 407 4.282 4.282 4.221 0.061 17742 8048 1 12 . 1 1 77 77 PRO C C 407 177.719 177.719 177.738 -0.019 17742 8049 1 12 . 1 1 77 77 PRO CA C 407 63.407 63.407 64.301 -0.894 17742 8050 1 12 . 1 1 77 77 PRO CB C 407 32.184 32.184 31.087 1.097 17742 8051 1 12 . 1 1 78 78 GLY N N 408 109.716 109.716 112.244 -2.528 17742 8052 1 12 . 1 1 78 78 GLY C C 408 174.053 174.053 173.934 0.119 17742 8053 1 12 . 1 1 78 78 GLY CA C 408 45.519 45.519 45.062 0.457 17742 8054 1 12 . 1 1 78 78 GLY H H 408 8.531 8.531 8.621 -0.090 17742 8055 1 12 . 1 1 79 79 GLN N N 409 116.964 116.964 117.463 -0.499 17742 8056 1 12 . 1 1 79 79 GLN HA H 409 4.488 4.488 4.688 -0.200 17742 8057 1 12 . 1 1 79 79 GLN C C 409 175.390 175.390 175.194 0.196 17742 8058 1 12 . 1 1 79 79 GLN CA C 409 54.359 54.359 53.788 0.571 17742 8059 1 12 . 1 1 79 79 GLN CB C 409 31.202 31.202 31.148 0.053 17742 8060 1 12 . 1 1 79 79 GLN H H 409 7.559 7.559 7.650 -0.091 17742 8061 1 12 . 1 1 80 80 ARG N N 410 120.457 120.457 120.370 0.087 17742 8062 1 12 . 1 1 80 80 ARG HA H 410 4.262 4.262 4.200 0.062 17742 8063 1 12 . 1 1 80 80 ARG C C 410 176.270 176.270 177.065 -0.795 17742 8064 1 12 . 1 1 80 80 ARG CA C 410 56.821 56.821 57.408 -0.587 17742 8065 1 12 . 1 1 80 80 ARG CB C 410 31.502 31.502 30.032 1.470 17742 8066 1 12 . 1 1 80 80 ARG H H 410 8.251 8.251 8.570 -0.319 17742 8067 1 12 . 1 1 81 81 LEU N N 411 119.348 119.348 119.310 0.038 17742 8068 1 12 . 1 1 81 81 LEU HA H 411 4.023 4.023 4.500 -0.477 17742 8069 1 12 . 1 1 81 81 LEU C C 411 173.279 173.279 175.118 -1.839 17742 8070 1 12 . 1 1 81 81 LEU CA C 411 55.030 55.030 53.660 1.371 17742 8071 1 12 . 1 1 81 81 LEU CB C 411 40.335 40.335 41.521 -1.186 17742 8072 1 12 . 1 1 81 81 LEU H H 411 8.435 8.435 8.030 0.405 17742 8073 1 12 . 1 1 82 82 LEU N N 412 119.070 119.070 121.709 -2.639 17742 8074 1 12 . 1 1 82 82 LEU HA H 412 5.013 5.013 4.386 0.627 17742 8075 1 12 . 1 1 82 82 LEU C C 412 175.361 175.361 175.619 -0.258 17742 8076 1 12 . 1 1 82 82 LEU CA C 412 53.212 53.212 54.024 -0.812 17742 8077 1 12 . 1 1 82 82 LEU CB C 412 45.471 45.471 41.689 3.782 17742 8078 1 12 . 1 1 82 82 LEU H H 412 6.751 6.751 7.475 -0.724 17742 8079 1 12 . 1 1 83 83 PHE N N 413 122.184 122.184 124.656 -2.472 17742 8080 1 12 . 1 1 83 83 PHE HA H 413 4.865 4.865 5.402 -0.537 17742 8081 1 12 . 1 1 83 83 PHE C C 413 172.849 172.849 174.725 -1.876 17742 8082 1 12 . 1 1 83 83 PHE CA C 413 55.921 55.921 54.446 1.475 17742 8083 1 12 . 1 1 83 83 PHE CB C 413 44.569 44.569 42.549 2.020 17742 8084 1 12 . 1 1 83 83 PHE H H 413 8.661 8.661 8.989 -0.328 17742 8085 1 12 . 1 1 84 84 ARG N N 414 119.461 119.461 119.923 -0.462 17742 8086 1 12 . 1 1 84 84 ARG HA H 414 5.581 5.581 5.272 0.309 17742 8087 1 12 . 1 1 84 84 ARG C C 414 177.641 177.641 174.875 2.766 17742 8088 1 12 . 1 1 84 84 ARG CA C 414 54.239 54.239 55.462 -1.223 17742 8089 1 12 . 1 1 84 84 ARG CB C 414 36.198 36.198 33.981 2.217 17742 8090 1 12 . 1 1 84 84 ARG H H 414 9.098 9.098 8.922 0.176 17742 8091 1 12 . 1 1 85 85 PHE N N 415 124.274 124.274 127.758 -3.484 17742 8092 1 12 . 1 1 85 85 PHE HA H 415 5.027 5.027 5.008 0.019 17742 8093 1 12 . 1 1 85 85 PHE C C 415 176.117 176.117 176.113 0.004 17742 8094 1 12 . 1 1 85 85 PHE CA C 415 59.657 59.657 59.689 -0.032 17742 8095 1 12 . 1 1 85 85 PHE CB C 415 40.819 40.819 38.697 2.122 17742 8096 1 12 . 1 1 85 85 PHE H H 415 8.928 8.928 9.453 -0.525 17742 8097 1 12 . 1 1 86 86 MET N N 416 121.081 121.081 122.698 -1.617 17742 8098 1 12 . 1 1 86 86 MET HA H 416 4.656 4.656 4.372 0.284 17742 8099 1 12 . 1 1 86 86 MET C C 416 176.444 176.444 176.293 0.151 17742 8100 1 12 . 1 1 86 86 MET CA C 416 54.681 54.681 57.489 -2.808 17742 8101 1 12 . 1 1 86 86 MET CB C 416 31.698 31.698 33.010 -1.312 17742 8102 1 12 . 1 1 86 86 MET H H 416 8.676 8.676 8.935 -0.259 17742 8103 1 12 . 1 1 87 87 LYS N N 417 117.772 117.772 114.375 3.397 17742 8104 1 12 . 1 1 87 87 LYS HA H 417 4.899 4.899 4.686 0.213 17742 8105 1 12 . 1 1 87 87 LYS C C 417 175.621 175.621 174.805 0.816 17742 8106 1 12 . 1 1 87 87 LYS CA C 417 54.522 54.522 54.861 -0.339 17742 8107 1 12 . 1 1 87 87 LYS CB C 417 37.905 37.905 35.410 2.495 17742 8108 1 12 . 1 1 87 87 LYS H H 417 7.624 7.624 7.385 0.239 17742 8109 1 12 . 1 1 88 88 THR N N 418 112.426 112.426 110.641 1.785 17742 8110 1 12 . 1 1 88 88 THR HA H 418 4.372 4.372 4.421 -0.049 17742 8111 1 12 . 1 1 88 88 THR CA C 418 59.786 59.786 58.157 1.629 17742 8112 1 12 . 1 1 88 88 THR CB C 418 68.040 68.040 69.099 -1.059 17742 8113 1 12 . 1 1 88 88 THR H H 418 8.787 8.787 9.184 -0.397 17742 8114 1 12 . 1 1 89 89 PRO HA H 419 3.654 3.654 3.177 0.477 17742 8115 1 12 . 1 1 89 89 PRO C C 419 177.412 177.412 178.410 -0.998 17742 8116 1 12 . 1 1 89 89 PRO CA C 419 65.712 65.712 66.468 -0.756 17742 8117 1 12 . 1 1 89 89 PRO CB C 419 31.762 31.762 31.693 0.069 17742 8118 1 12 . 1 1 90 90 ASP N N 420 114.221 114.221 114.695 -0.474 17742 8119 1 12 . 1 1 90 90 ASP HA H 420 4.224 4.224 4.312 -0.088 17742 8120 1 12 . 1 1 90 90 ASP C C 420 178.341 178.341 178.472 -0.131 17742 8121 1 12 . 1 1 90 90 ASP CA C 420 56.657 56.657 57.025 -0.368 17742 8122 1 12 . 1 1 90 90 ASP CB C 420 40.642 40.642 40.580 0.062 17742 8123 1 12 . 1 1 90 90 ASP H H 420 7.958 7.958 8.484 -0.526 17742 8124 1 12 . 1 1 91 91 GLU N N 421 119.443 119.443 118.776 0.667 17742 8125 1 12 . 1 1 91 91 GLU HA H 421 4.006 4.006 4.021 -0.015 17742 8126 1 12 . 1 1 91 91 GLU C C 421 179.238 179.238 179.232 0.006 17742 8127 1 12 . 1 1 91 91 GLU CA C 421 58.458 58.458 58.796 -0.338 17742 8128 1 12 . 1 1 91 91 GLU CB C 421 30.774 30.774 29.636 1.138 17742 8129 1 12 . 1 1 91 91 GLU H H 421 7.628 7.628 7.556 0.072 17742 8130 1 12 . 1 1 92 92 ILE N N 422 120.617 120.617 119.986 0.631 17742 8131 1 12 . 1 1 92 92 ILE HA H 422 3.589 3.589 3.535 0.054 17742 8132 1 12 . 1 1 92 92 ILE C C 422 178.124 178.124 177.618 0.506 17742 8133 1 12 . 1 1 92 92 ILE CA C 422 63.878 63.878 64.335 -0.457 17742 8134 1 12 . 1 1 92 92 ILE CB C 422 38.142 38.142 37.372 0.770 17742 8135 1 12 . 1 1 92 92 ILE H H 422 7.896 7.896 7.557 0.339 17742 8136 1 12 . 1 1 93 93 MET N N 423 117.857 117.857 118.358 -0.501 17742 8137 1 12 . 1 1 93 93 MET HA H 423 4.365 4.365 4.158 0.207 17742 8138 1 12 . 1 1 93 93 MET C C 423 177.009 177.009 177.546 -0.537 17742 8139 1 12 . 1 1 93 93 MET CA C 423 56.527 56.527 58.950 -2.423 17742 8140 1 12 . 1 1 93 93 MET CB C 423 32.617 32.617 32.432 0.185 17742 8141 1 12 . 1 1 93 93 MET H H 423 8.161 8.161 8.227 -0.066 17742 8142 1 12 . 1 1 94 94 SER N N 424 114.591 114.591 111.715 2.876 17742 8143 1 12 . 1 1 94 94 SER HA H 424 4.406 4.406 4.469 -0.063 17742 8144 1 12 . 1 1 94 94 SER C C 424 175.262 175.262 174.507 0.755 17742 8145 1 12 . 1 1 94 94 SER CA C 424 59.482 59.482 57.315 2.167 17742 8146 1 12 . 1 1 94 94 SER CB C 424 63.466 63.466 62.797 0.669 17742 8147 1 12 . 1 1 94 94 SER H H 424 7.744 7.744 7.575 0.169 17742 8148 1 12 . 1 1 95 95 GLY N N 425 109.590 109.590 108.812 0.778 17742 8149 1 12 . 1 1 95 95 GLY C C 425 174.197 174.197 173.924 0.273 17742 8150 1 12 . 1 1 95 95 GLY CA C 425 45.122 45.122 44.313 0.809 17742 8151 1 12 . 1 1 95 95 GLY H H 425 7.970 7.970 7.798 0.172 17742 8152 1 12 . 1 1 96 96 ARG N N 426 119.792 119.792 120.221 -0.429 17742 8153 1 12 . 1 1 96 96 ARG HA H 426 4.567 4.567 4.730 -0.163 17742 8154 1 12 . 1 1 96 96 ARG C C 426 177.866 177.866 177.761 0.105 17742 8155 1 12 . 1 1 96 96 ARG CA C 426 55.757 55.757 54.599 1.158 17742 8156 1 12 . 1 1 96 96 ARG CB C 426 30.059 30.059 28.210 1.849 17742 8157 1 12 . 1 1 96 96 ARG H H 426 8.144 8.144 8.535 -0.391 17742 8158 1 12 . 1 1 97 97 THR N N 427 114.770 114.770 113.400 1.370 17742 8159 1 12 . 1 1 97 97 THR HA H 427 4.221 4.221 4.132 0.089 17742 8160 1 12 . 1 1 97 97 THR C C 427 175.449 175.449 175.532 -0.083 17742 8161 1 12 . 1 1 97 97 THR CA C 427 63.411 63.411 66.494 -3.083 17742 8162 1 12 . 1 1 97 97 THR CB C 427 69.080 69.080 68.329 0.751 17742 8163 1 12 . 1 1 97 97 THR H H 427 8.427 8.427 8.162 0.265 17742 8164 1 12 . 1 1 98 98 ASP N N 428 122.017 122.017 120.816 1.201 17742 8165 1 12 . 1 1 98 98 ASP HA H 428 4.404 4.404 4.313 0.091 17742 8166 1 12 . 1 1 98 98 ASP C C 428 178.042 178.042 178.175 -0.133 17742 8167 1 12 . 1 1 98 98 ASP CA C 428 56.438 56.438 57.043 -0.605 17742 8168 1 12 . 1 1 98 98 ASP CB C 428 40.012 40.012 40.031 -0.018 17742 8169 1 12 . 1 1 98 98 ASP H H 428 8.659 8.659 8.663 -0.004 17742 8170 1 12 . 1 1 99 99 ARG N N 429 120.083 120.083 120.166 -0.083 17742 8171 1 12 . 1 1 99 99 ARG HA H 429 4.190 4.190 4.162 0.028 17742 8172 1 12 . 1 1 99 99 ARG C C 429 178.236 178.236 178.628 -0.392 17742 8173 1 12 . 1 1 99 99 ARG CA C 429 58.307 58.307 58.696 -0.389 17742 8174 1 12 . 1 1 99 99 ARG CB C 429 30.073 30.073 30.294 -0.221 17742 8175 1 12 . 1 1 99 99 ARG H H 429 8.011 8.011 7.492 0.519 17742 8176 1 12 . 1 1 100 100 LEU N N 430 119.784 119.784 120.968 -1.184 17742 8177 1 12 . 1 1 100 100 LEU HA H 430 4.048 4.048 4.059 -0.011 17742 8178 1 12 . 1 1 100 100 LEU C C 430 178.209 178.209 178.678 -0.469 17742 8179 1 12 . 1 1 100 100 LEU CA C 430 57.535 57.535 58.111 -0.577 17742 8180 1 12 . 1 1 100 100 LEU CB C 430 42.218 42.218 41.833 0.385 17742 8181 1 12 . 1 1 100 100 LEU H H 430 7.667 7.667 7.571 0.096 17742 8182 1 12 . 1 1 101 101 GLU N N 431 119.434 119.434 118.651 0.783 17742 8183 1 12 . 1 1 101 101 GLU HA H 431 3.962 3.962 4.009 -0.047 17742 8184 1 12 . 1 1 101 101 GLU C C 431 178.773 178.773 179.363 -0.590 17742 8185 1 12 . 1 1 101 101 GLU CA C 431 59.470 59.470 59.657 -0.187 17742 8186 1 12 . 1 1 101 101 GLU CB C 431 29.667 29.667 29.267 0.400 17742 8187 1 12 . 1 1 101 101 GLU H H 431 8.339 8.339 8.662 -0.323 17742 8188 1 12 . 1 1 102 102 HIS N N 432 118.026 118.026 118.658 -0.632 17742 8189 1 12 . 1 1 102 102 HIS HA H 432 4.463 4.463 4.401 0.062 17742 8190 1 12 . 1 1 102 102 HIS C C 432 177.322 177.322 177.530 -0.208 17742 8191 1 12 . 1 1 102 102 HIS CA C 432 58.432 58.432 58.974 -0.542 17742 8192 1 12 . 1 1 102 102 HIS CB C 432 29.237 29.237 30.326 -1.089 17742 8193 1 12 . 1 1 102 102 HIS H H 432 7.995 7.995 7.551 0.444 17742 8194 1 12 . 1 1 103 103 LEU N N 433 120.785 120.785 120.700 0.085 17742 8195 1 12 . 1 1 103 103 LEU HA H 433 3.971 3.971 3.975 -0.004 17742 8196 1 12 . 1 1 103 103 LEU C C 433 179.014 179.014 178.480 0.534 17742 8197 1 12 . 1 1 103 103 LEU CA C 433 57.570 57.570 57.769 -0.199 17742 8198 1 12 . 1 1 103 103 LEU CB C 433 41.606 41.606 41.208 0.398 17742 8199 1 12 . 1 1 103 103 LEU H H 433 8.077 8.077 8.321 -0.244 17742 8200 1 12 . 1 1 104 104 GLU N N 434 119.107 119.107 119.531 -0.424 17742 8201 1 12 . 1 1 104 104 GLU HA H 434 4.025 4.025 3.976 0.049 17742 8202 1 12 . 1 1 104 104 GLU C C 434 178.187 178.187 179.196 -1.009 17742 8203 1 12 . 1 1 104 104 GLU CA C 434 60.221 60.221 60.307 -0.086 17742 8204 1 12 . 1 1 104 104 GLU CB C 434 30.104 30.104 29.102 1.002 17742 8205 1 12 . 1 1 104 104 GLU H H 434 8.443 8.443 8.711 -0.268 17742 8206 1 12 . 1 1 105 105 SER N N 435 114.129 114.129 112.491 1.638 17742 8207 1 12 . 1 1 105 105 SER HA H 435 4.204 4.204 4.005 0.199 17742 8208 1 12 . 1 1 105 105 SER C C 435 175.924 175.924 176.297 -0.373 17742 8209 1 12 . 1 1 105 105 SER CA C 435 61.303 61.303 61.874 -0.571 17742 8210 1 12 . 1 1 105 105 SER CB C 435 63.070 63.070 62.781 0.289 17742 8211 1 12 . 1 1 105 105 SER H H 435 8.041 8.041 8.273 -0.232 17742 8212 1 12 . 1 1 106 106 GLN N N 436 120.201 120.201 119.676 0.525 17742 8213 1 12 . 1 1 106 106 GLN HA H 436 4.124 4.124 4.220 -0.096 17742 8214 1 12 . 1 1 106 106 GLN C C 436 178.242 178.242 178.978 -0.736 17742 8215 1 12 . 1 1 106 106 GLN CA C 436 58.242 58.242 58.076 0.166 17742 8216 1 12 . 1 1 106 106 GLN CB C 436 29.001 29.001 29.204 -0.203 17742 8217 1 12 . 1 1 106 106 GLN H H 436 7.823 7.823 7.589 0.234 17742 8218 1 12 . 1 1 107 107 VAL N N 437 117.503 117.503 121.385 -3.882 17742 8219 1 12 . 1 1 107 107 VAL HA H 437 3.955 3.955 3.896 0.059 17742 8220 1 12 . 1 1 107 107 VAL C C 437 177.462 177.462 177.003 0.459 17742 8221 1 12 . 1 1 107 107 VAL CA C 437 64.414 64.414 65.502 -1.088 17742 8222 1 12 . 1 1 107 107 VAL CB C 437 32.192 32.192 31.947 0.245 17742 8223 1 12 . 1 1 107 107 VAL H H 437 7.711 7.711 8.555 -0.844 17742 8224 1 12 . 1 1 108 108 LEU HA H 438 4.072 4.072 4.134 -0.062 17742 8225 1 12 . 1 1 108 108 LEU C C 438 177.614 177.614 177.723 -0.109 17742 8226 1 12 . 1 1 108 108 LEU CA C 438 56.521 56.521 56.265 0.256 17742 8227 1 12 . 1 1 108 108 LEU CB C 438 42.149 42.149 41.162 0.987 17742 8228 1 12 . 1 1 109 109 ASP N N 439 118.500 118.500 117.571 0.929 17742 8229 1 12 . 1 1 109 109 ASP HA H 439 4.685 4.685 4.723 -0.038 17742 8230 1 12 . 1 1 109 109 ASP C C 439 176.372 176.372 176.725 -0.353 17742 8231 1 12 . 1 1 109 109 ASP CA C 439 54.653 54.653 53.845 0.808 17742 8232 1 12 . 1 1 109 109 ASP CB C 439 41.425 41.425 42.111 -0.686 17742 8233 1 12 . 1 1 109 109 ASP H H 439 7.872 7.872 7.773 0.099 17742 8234 1 12 . 1 1 110 110 GLU N N 440 120.701 120.701 119.034 1.667 17742 8235 1 12 . 1 1 110 110 GLU HA H 440 4.188 4.188 4.007 0.181 17742 8236 1 12 . 1 1 110 110 GLU C C 440 176.739 176.739 177.040 -0.301 17742 8237 1 12 . 1 1 110 110 GLU CA C 440 57.310 57.310 58.709 -1.399 17742 8238 1 12 . 1 1 110 110 GLU CB C 440 30.091 30.091 29.762 0.329 17742 8239 1 12 . 1 1 110 110 GLU H H 440 7.929 7.929 7.923 0.006 17742 8240 1 12 . 1 1 111 111 GLN N N 441 120.829 120.829 117.475 3.354 17742 8241 1 12 . 1 1 111 111 GLN HA H 441 4.341 4.341 4.301 0.040 17742 8242 1 12 . 1 1 111 111 GLN C C 441 176.214 176.214 177.283 -1.069 17742 8243 1 12 . 1 1 111 111 GLN CA C 441 56.103 56.103 55.623 0.480 17742 8244 1 12 . 1 1 111 111 GLN CB C 441 29.607 29.607 28.829 0.778 17742 8245 1 12 . 1 1 111 111 GLN H H 441 8.434 8.434 8.070 0.364 17742 8246 1 12 . 1 1 112 112 THR N N 442 114.861 114.861 120.277 -5.416 17742 8247 1 12 . 1 1 112 112 THR HA H 442 4.258 4.258 4.049 0.209 17742 8248 1 12 . 1 1 112 112 THR C C 442 174.095 174.095 175.190 -1.095 17742 8249 1 12 . 1 1 112 112 THR CA C 442 62.140 62.140 65.391 -3.251 17742 8250 1 12 . 1 1 112 112 THR CB C 442 69.870 69.870 69.166 0.704 17742 8251 1 12 . 1 1 112 112 THR H H 442 8.038 8.038 8.701 -0.663 17742 8252 1 12 . 1 1 113 113 TYR N N 443 122.709 122.709 118.574 4.135 17742 8253 1 12 . 1 1 113 113 TYR HA H 443 4.552 4.552 4.759 -0.207 17742 8254 1 12 . 1 1 113 113 TYR C C 443 175.303 175.303 174.861 0.442 17742 8255 1 12 . 1 1 113 113 TYR CA C 443 57.921 57.921 55.584 2.337 17742 8256 1 12 . 1 1 113 113 TYR CB C 443 38.982 38.982 36.708 2.274 17742 8257 1 12 . 1 1 113 113 TYR H H 443 8.171 8.171 7.912 0.259 17742 8258 1 12 . 1 1 114 114 GLN N N 444 122.768 122.768 117.833 4.935 17742 8259 1 12 . 1 1 114 114 GLN HA H 444 4.284 4.284 3.764 0.520 17742 8260 1 12 . 1 1 114 114 GLN C C 444 175.372 175.372 174.717 0.655 17742 8261 1 12 . 1 1 114 114 GLN CA C 444 55.543 55.543 56.186 -0.643 17742 8262 1 12 . 1 1 114 114 GLN CB C 444 29.894 29.894 27.482 2.412 17742 8263 1 12 . 1 1 114 114 GLN H H 444 8.202 8.202 7.845 0.357 17742 8264 1 12 . 1 1 115 115 GLU N N 445 122.370 122.370 118.766 3.604 17742 8265 1 12 . 1 1 115 115 GLU HA H 445 4.225 4.225 3.043 1.182 17742 8266 1 12 . 1 1 115 115 GLU C C 445 176.058 176.058 175.691 0.367 17742 8267 1 12 . 1 1 115 115 GLU CA C 445 56.612 56.612 56.795 -0.183 17742 8268 1 12 . 1 1 115 115 GLU CB C 445 30.517 30.517 28.984 1.533 17742 8269 1 12 . 1 1 115 115 GLU H H 445 8.371 8.371 7.719 0.652 17742 8270 1 12 . 1 1 116 116 ASP N N 446 121.090 121.090 123.650 -2.560 17742 8271 1 12 . 1 1 116 116 ASP HA H 446 4.595 4.595 4.540 0.055 17742 8272 1 12 . 1 1 116 116 ASP C C 446 175.872 175.872 175.022 0.850 17742 8273 1 12 . 1 1 116 116 ASP CA C 446 54.382 54.382 55.584 -1.202 17742 8274 1 12 . 1 1 116 116 ASP CB C 446 41.402 41.402 41.720 -0.318 17742 8275 1 12 . 1 1 116 116 ASP H H 446 8.336 8.336 8.566 -0.230 17742 8276 1 12 . 1 1 117 117 GLU N N 447 121.977 121.977 117.717 4.260 17742 8277 1 12 . 1 1 117 117 GLU HA H 447 4.575 4.575 4.613 -0.038 17742 8278 1 12 . 1 1 117 117 GLU CA C 447 54.442 54.442 52.986 1.456 17742 8279 1 12 . 1 1 117 117 GLU CB C 447 30.254 30.254 30.246 0.008 17742 8280 1 12 . 1 1 117 117 GLU H H 447 8.194 8.194 7.895 0.299 17742 8281 1 12 . 1 1 118 118 PRO HA H 448 4.461 4.461 4.291 0.170 17742 8282 1 12 . 1 1 118 118 PRO C C 448 177.160 177.160 176.371 0.789 17742 8283 1 12 . 1 1 118 118 PRO CA C 448 63.371 63.371 63.163 0.208 17742 8284 1 12 . 1 1 118 118 PRO CB C 448 32.302 32.302 30.892 1.410 17742 8285 1 12 . 1 1 119 119 THR N N 449 114.788 114.788 118.180 -3.392 17742 8286 1 12 . 1 1 119 119 THR HA H 449 4.292 4.292 4.745 -0.453 17742 8287 1 12 . 1 1 119 119 THR C C 449 174.664 174.664 173.625 1.039 17742 8288 1 12 . 1 1 119 119 THR CA C 449 62.117 62.117 60.537 1.580 17742 8289 1 12 . 1 1 119 119 THR CB C 449 69.861 69.861 70.748 -0.887 17742 8290 1 12 . 1 1 119 119 THR H H 449 8.235 8.235 8.157 0.078 17742 8291 1 12 . 1 1 120 120 ILE N N 450 123.074 123.074 126.038 -2.964 17742 8292 1 12 . 1 1 120 120 ILE HA H 450 4.169 4.169 4.316 -0.147 17742 8293 1 12 . 1 1 120 120 ILE C C 450 175.683 175.683 175.849 -0.166 17742 8294 1 12 . 1 1 120 120 ILE CA C 450 60.987 60.987 60.008 0.979 17742 8295 1 12 . 1 1 120 120 ILE CB C 450 38.983 38.983 36.544 2.439 17742 8296 1 12 . 1 1 120 120 ILE H H 450 8.043 8.043 8.775 -0.732 17742 8297 1 12 . 1 1 121 121 ALA N N 451 128.011 128.011 131.663 -3.652 17742 8298 1 12 . 1 1 121 121 ALA HA H 451 4.332 4.332 4.355 -0.023 17742 8299 1 12 . 1 1 121 121 ALA C C 451 177.333 177.333 176.956 0.377 17742 8300 1 12 . 1 1 121 121 ALA CA C 451 52.364 52.364 52.512 -0.148 17742 8301 1 12 . 1 1 121 121 ALA CB C 451 19.534 19.534 19.771 -0.237 17742 8302 1 12 . 1 1 121 121 ALA H H 451 8.277 8.277 8.682 -0.405 17742 8303 1 12 . 1 1 122 122 SER N N 452 116.575 116.575 112.829 3.746 17742 8304 1 12 . 1 1 122 122 SER HA H 452 4.672 4.672 4.734 -0.062 17742 8305 1 12 . 1 1 122 122 SER CA C 452 56.230 56.230 55.890 0.340 17742 8306 1 12 . 1 1 122 122 SER CB C 452 63.460 63.460 64.321 -0.861 17742 8307 1 12 . 1 1 122 122 SER H H 452 8.161 8.161 7.289 0.872 17742 8308 1 12 . 1 1 123 123 PRO HA H 453 4.395 4.395 4.304 0.091 17742 8309 1 12 . 1 1 123 123 PRO C C 453 176.993 176.993 175.692 1.301 17742 8310 1 12 . 1 1 123 123 PRO CA C 453 63.303 63.303 63.701 -0.398 17742 8311 1 12 . 1 1 123 123 PRO CB C 453 32.149 32.149 31.577 0.572 17742 8312 1 12 . 1 1 124 124 VAL N N 454 119.733 119.733 125.107 -5.374 17742 8313 1 12 . 1 1 124 124 VAL HA H 454 4.010 4.010 4.059 -0.049 17742 8314 1 12 . 1 1 124 124 VAL CA C 454 62.674 62.674 61.927 0.747 17742 8315 1 12 . 1 1 124 124 VAL CB C 454 32.669 32.669 32.711 -0.042 17742 8316 1 12 . 1 1 124 124 VAL H H 454 8.058 8.058 7.783 0.275 17742 8317 1 12 . 1 1 125 125 GLY N N 455 111.901 111.901 108.326 3.575 17742 8318 1 12 . 1 1 125 125 GLY CA C 455 45.152 45.152 44.323 0.829 17742 8319 1 12 . 1 1 125 125 GLY H H 455 8.255 8.255 7.442 0.813 17742 8320 1 12 . 1 1 126 126 TRP N N 456 122.405 122.405 124.333 -1.928 17742 8321 1 12 . 1 1 126 126 TRP HA H 456 4.929 4.929 4.841 0.088 17742 8322 1 12 . 1 1 126 126 TRP CA C 456 55.029 55.029 53.992 1.036 17742 8323 1 12 . 1 1 126 126 TRP CB C 456 29.383 29.383 29.794 -0.411 17742 8324 1 12 . 1 1 126 126 TRP H H 456 7.906 7.906 7.786 0.120 17742 8325 1 12 . 1 1 127 127 PRO HA H 457 4.429 4.429 4.481 -0.053 17742 8326 1 12 . 1 1 127 127 PRO C C 457 175.951 175.951 175.955 -0.004 17742 8327 1 12 . 1 1 127 127 PRO CA C 457 63.558 63.558 63.244 0.314 17742 8328 1 12 . 1 1 127 127 PRO CB C 457 31.932 31.932 31.745 0.187 17742 8329 1 13 . 1 1 5 5 ARG N N 335 123.607 123.607 123.438 0.169 17742 8330 1 13 . 1 1 5 5 ARG HA H 335 4.382 4.382 4.515 -0.133 17742 8331 1 13 . 1 1 5 5 ARG CA C 335 56.926 56.926 56.337 0.589 17742 8332 1 13 . 1 1 5 5 ARG H H 335 9.161 9.161 8.635 0.526 17742 8333 1 13 . 1 1 6 6 LEU N N 336 122.412 122.412 118.979 3.433 17742 8334 1 13 . 1 1 6 6 LEU CB C 336 42.172 42.172 43.452 -1.280 17742 8335 1 13 . 1 1 6 6 LEU H H 336 8.775 8.775 8.920 -0.145 17742 8336 1 13 . 1 1 7 7 LEU HA H 337 3.669 3.669 4.329 -0.660 17742 8337 1 13 . 1 1 7 7 LEU CA C 337 59.053 59.053 58.905 0.148 17742 8338 1 13 . 1 1 7 7 LEU CB C 337 40.447 40.447 41.915 -1.468 17742 8339 1 13 . 1 1 8 8 TRP N N 338 114.197 114.197 116.474 -2.277 17742 8340 1 13 . 1 1 8 8 TRP HA H 338 3.747 3.747 4.646 -0.899 17742 8341 1 13 . 1 1 8 8 TRP CA C 338 60.071 60.071 59.657 0.413 17742 8342 1 13 . 1 1 8 8 TRP CB C 338 28.481 28.481 28.544 -0.063 17742 8343 1 13 . 1 1 8 8 TRP H H 338 7.595 7.595 7.609 -0.014 17742 8344 1 13 . 1 1 9 9 ASP HA H 339 3.648 3.648 4.538 -0.890 17742 8345 1 13 . 1 1 9 9 ASP C C 339 177.491 177.491 177.893 -0.402 17742 8346 1 13 . 1 1 9 9 ASP CA C 339 56.197 56.197 56.237 -0.040 17742 8347 1 13 . 1 1 9 9 ASP CB C 339 41.702 41.702 39.935 1.767 17742 8348 1 13 . 1 1 10 10 TYR N N 340 120.786 120.786 121.877 -1.091 17742 8349 1 13 . 1 1 10 10 TYR HA H 340 3.851 3.851 4.106 -0.255 17742 8350 1 13 . 1 1 10 10 TYR C C 340 177.016 177.016 177.397 -0.381 17742 8351 1 13 . 1 1 10 10 TYR CA C 340 61.921 61.921 61.449 0.472 17742 8352 1 13 . 1 1 10 10 TYR CB C 340 39.202 39.202 38.853 0.349 17742 8353 1 13 . 1 1 10 10 TYR H H 340 7.929 7.929 7.735 0.194 17742 8354 1 13 . 1 1 11 11 VAL N N 341 114.828 114.828 119.433 -4.605 17742 8355 1 13 . 1 1 11 11 VAL HA H 341 2.982 2.982 3.565 -0.583 17742 8356 1 13 . 1 1 11 11 VAL C C 341 176.795 176.795 177.299 -0.504 17742 8357 1 13 . 1 1 11 11 VAL CA C 341 66.855 66.855 65.928 0.927 17742 8358 1 13 . 1 1 11 11 VAL CB C 341 31.152 31.152 31.498 -0.346 17742 8359 1 13 . 1 1 11 11 VAL H H 341 8.291 8.291 8.549 -0.258 17742 8360 1 13 . 1 1 12 12 TYR N N 342 119.177 119.177 120.542 -1.365 17742 8361 1 13 . 1 1 12 12 TYR HA H 342 3.617 3.617 3.851 -0.234 17742 8362 1 13 . 1 1 12 12 TYR C C 342 178.765 178.765 177.400 1.365 17742 8363 1 13 . 1 1 12 12 TYR CA C 342 62.960 62.960 61.605 1.355 17742 8364 1 13 . 1 1 12 12 TYR CB C 342 38.232 38.232 38.227 0.004 17742 8365 1 13 . 1 1 12 12 TYR H H 342 7.712 7.712 7.948 -0.236 17742 8366 1 13 . 1 1 13 13 GLN N N 343 118.873 118.873 118.748 0.125 17742 8367 1 13 . 1 1 13 13 GLN HA H 343 3.833 3.833 4.054 -0.221 17742 8368 1 13 . 1 1 13 13 GLN C C 343 179.917 179.917 178.615 1.302 17742 8369 1 13 . 1 1 13 13 GLN CA C 343 58.821 58.821 57.926 0.895 17742 8370 1 13 . 1 1 13 13 GLN CB C 343 27.649 27.649 28.000 -0.351 17742 8371 1 13 . 1 1 13 13 GLN H H 343 8.076 8.076 7.658 0.418 17742 8372 1 13 . 1 1 14 14 LEU N N 344 121.381 121.381 120.403 0.978 17742 8373 1 13 . 1 1 14 14 LEU HA H 344 3.611 3.611 3.935 -0.324 17742 8374 1 13 . 1 1 14 14 LEU C C 344 179.861 179.861 178.626 1.235 17742 8375 1 13 . 1 1 14 14 LEU CA C 344 58.121 58.121 57.226 0.895 17742 8376 1 13 . 1 1 14 14 LEU CB C 344 41.382 41.382 41.682 -0.300 17742 8377 1 13 . 1 1 14 14 LEU H H 344 7.772 7.772 7.851 -0.079 17742 8378 1 13 . 1 1 15 15 LEU N N 345 116.801 116.801 116.053 0.748 17742 8379 1 13 . 1 1 15 15 LEU HA H 345 3.513 3.513 3.871 -0.358 17742 8380 1 13 . 1 1 15 15 LEU C C 345 178.221 178.221 178.165 0.056 17742 8381 1 13 . 1 1 15 15 LEU CA C 345 56.568 56.568 56.574 -0.006 17742 8382 1 13 . 1 1 15 15 LEU CB C 345 41.431 41.431 40.991 0.440 17742 8383 1 13 . 1 1 15 15 LEU H H 345 7.546 7.546 7.574 -0.028 17742 8384 1 13 . 1 1 16 16 SER N N 346 112.511 112.511 111.946 0.565 17742 8385 1 13 . 1 1 16 16 SER HA H 346 4.542 4.542 4.473 0.069 17742 8386 1 13 . 1 1 16 16 SER C C 346 172.510 172.510 173.995 -1.485 17742 8387 1 13 . 1 1 16 16 SER CA C 346 58.891 58.891 58.331 0.560 17742 8388 1 13 . 1 1 16 16 SER CB C 346 63.993 63.993 63.534 0.459 17742 8389 1 13 . 1 1 16 16 SER H H 346 7.277 7.277 7.349 -0.072 17742 8390 1 13 . 1 1 17 17 ASP N N 347 122.234 122.234 121.605 0.629 17742 8391 1 13 . 1 1 17 17 ASP HA H 347 4.969 4.969 4.925 0.044 17742 8392 1 13 . 1 1 17 17 ASP C C 347 175.703 175.703 175.317 0.386 17742 8393 1 13 . 1 1 17 17 ASP CA C 347 52.761 52.761 53.486 -0.725 17742 8394 1 13 . 1 1 17 17 ASP CB C 347 43.427 43.427 43.833 -0.406 17742 8395 1 13 . 1 1 17 17 ASP H H 347 7.353 7.353 7.431 -0.078 17742 8396 1 13 . 1 1 18 18 SER N N 348 120.139 120.139 117.807 2.332 17742 8397 1 13 . 1 1 18 18 SER HA H 348 4.371 4.371 4.272 0.099 17742 8398 1 13 . 1 1 18 18 SER C C 348 176.259 176.259 176.142 0.117 17742 8399 1 13 . 1 1 18 18 SER CA C 348 61.131 61.131 60.375 0.756 17742 8400 1 13 . 1 1 18 18 SER CB C 348 63.177 63.177 63.692 -0.515 17742 8401 1 13 . 1 1 18 18 SER H H 348 8.691 8.691 8.700 -0.009 17742 8402 1 13 . 1 1 19 19 ARG N N 349 122.716 122.716 124.643 -1.927 17742 8403 1 13 . 1 1 19 19 ARG HA H 349 4.114 4.114 3.890 0.224 17742 8404 1 13 . 1 1 19 19 ARG C C 349 178.154 178.154 177.774 0.380 17742 8405 1 13 . 1 1 19 19 ARG CA C 349 58.531 58.531 58.084 0.447 17742 8406 1 13 . 1 1 19 19 ARG CB C 349 29.794 29.794 28.185 1.609 17742 8407 1 13 . 1 1 19 19 ARG H H 349 8.586 8.586 8.486 0.100 17742 8408 1 13 . 1 1 20 20 TYR N N 350 116.201 116.201 119.024 -2.823 17742 8409 1 13 . 1 1 20 20 TYR HA H 350 4.883 4.883 4.604 0.279 17742 8410 1 13 . 1 1 20 20 TYR C C 350 177.029 177.029 176.256 0.773 17742 8411 1 13 . 1 1 20 20 TYR CA C 350 58.741 58.741 55.859 2.882 17742 8412 1 13 . 1 1 20 20 TYR CB C 350 37.642 37.642 35.896 1.746 17742 8413 1 13 . 1 1 20 20 TYR H H 350 8.291 8.291 7.668 0.623 17742 8414 1 13 . 1 1 21 21 GLU N N 351 120.803 120.803 120.542 0.261 17742 8415 1 13 . 1 1 21 21 GLU HA H 351 4.466 4.466 4.351 0.115 17742 8416 1 13 . 1 1 21 21 GLU C C 351 176.324 176.324 177.122 -0.798 17742 8417 1 13 . 1 1 21 21 GLU CA C 351 59.132 59.132 58.640 0.492 17742 8418 1 13 . 1 1 21 21 GLU CB C 351 29.864 29.864 28.806 1.058 17742 8419 1 13 . 1 1 21 21 GLU H H 351 7.513 7.513 8.132 -0.619 17742 8420 1 13 . 1 1 22 22 ASN N N 352 114.531 114.531 115.836 -1.305 17742 8421 1 13 . 1 1 22 22 ASN HA H 352 4.492 4.492 4.638 -0.146 17742 8422 1 13 . 1 1 22 22 ASN C C 352 174.497 174.497 175.764 -1.267 17742 8423 1 13 . 1 1 22 22 ASN CA C 352 54.122 54.122 54.017 0.104 17742 8424 1 13 . 1 1 22 22 ASN CB C 352 36.935 36.935 39.020 -2.085 17742 8425 1 13 . 1 1 22 22 ASN H H 352 8.649 8.649 8.263 0.386 17742 8426 1 13 . 1 1 23 23 PHE N N 353 115.501 115.501 116.621 -1.120 17742 8427 1 13 . 1 1 23 23 PHE HA H 353 4.751 4.751 4.723 0.028 17742 8428 1 13 . 1 1 23 23 PHE C C 353 176.442 176.442 175.218 1.224 17742 8429 1 13 . 1 1 23 23 PHE CB C 353 41.502 41.502 41.776 -0.274 17742 8430 1 13 . 1 1 23 23 PHE H H 353 8.555 8.555 8.264 0.291 17742 8431 1 13 . 1 1 24 24 ILE N N 354 120.734 120.734 118.223 2.511 17742 8432 1 13 . 1 1 24 24 ILE HA H 354 5.059 5.059 5.016 0.043 17742 8433 1 13 . 1 1 24 24 ILE C C 354 179.332 179.332 173.137 6.195 17742 8434 1 13 . 1 1 24 24 ILE CA C 354 59.831 59.831 60.472 -0.641 17742 8435 1 13 . 1 1 24 24 ILE CB C 354 40.623 40.623 41.869 -1.246 17742 8436 1 13 . 1 1 24 24 ILE H H 354 8.428 8.428 8.751 -0.323 17742 8437 1 13 . 1 1 25 25 ARG N N 355 121.187 121.187 123.962 -2.775 17742 8438 1 13 . 1 1 25 25 ARG HA H 355 4.904 4.904 4.846 0.058 17742 8439 1 13 . 1 1 25 25 ARG C C 355 175.152 175.152 174.217 0.935 17742 8440 1 13 . 1 1 25 25 ARG CA C 355 54.529 54.529 54.503 0.026 17742 8441 1 13 . 1 1 25 25 ARG CB C 355 33.599 33.599 33.556 0.043 17742 8442 1 13 . 1 1 25 25 ARG H H 355 8.671 8.671 8.896 -0.225 17742 8443 1 13 . 1 1 26 26 TRP N N 356 122.024 122.024 122.276 -0.252 17742 8444 1 13 . 1 1 26 26 TRP HA H 356 4.884 4.884 4.667 0.217 17742 8445 1 13 . 1 1 26 26 TRP C C 356 176.642 176.642 176.608 0.034 17742 8446 1 13 . 1 1 26 26 TRP CA C 356 57.960 57.960 58.055 -0.095 17742 8447 1 13 . 1 1 26 26 TRP CB C 356 30.634 30.634 29.795 0.839 17742 8448 1 13 . 1 1 26 26 TRP H H 356 9.159 9.159 8.883 0.276 17742 8449 1 13 . 1 1 27 27 GLU N N 357 125.331 125.331 123.288 2.043 17742 8450 1 13 . 1 1 27 27 GLU HA H 357 4.681 4.681 4.557 0.124 17742 8451 1 13 . 1 1 27 27 GLU C C 357 176.775 176.775 176.843 -0.068 17742 8452 1 13 . 1 1 27 27 GLU CA C 357 56.990 56.990 57.617 -0.627 17742 8453 1 13 . 1 1 27 27 GLU CB C 357 31.579 31.579 31.194 0.385 17742 8454 1 13 . 1 1 27 27 GLU H H 357 9.504 9.504 8.837 0.667 17742 8455 1 13 . 1 1 28 28 ASP N N 358 116.213 116.213 121.625 -5.412 17742 8456 1 13 . 1 1 28 28 ASP HA H 358 4.771 4.771 5.013 -0.242 17742 8457 1 13 . 1 1 28 28 ASP C C 358 176.167 176.167 175.413 0.754 17742 8458 1 13 . 1 1 28 28 ASP CA C 358 53.541 53.541 53.872 -0.331 17742 8459 1 13 . 1 1 28 28 ASP CB C 358 41.932 41.932 41.823 0.109 17742 8460 1 13 . 1 1 28 28 ASP H H 358 7.846 7.846 8.769 -0.923 17742 8461 1 13 . 1 1 29 29 LYS N N 359 127.762 127.762 124.571 3.191 17742 8462 1 13 . 1 1 29 29 LYS HA H 359 3.157 3.157 2.892 0.265 17742 8463 1 13 . 1 1 29 29 LYS C C 359 178.776 178.776 177.564 1.212 17742 8464 1 13 . 1 1 29 29 LYS CA C 359 60.229 60.229 59.411 0.818 17742 8465 1 13 . 1 1 29 29 LYS CB C 359 32.734 32.734 31.854 0.880 17742 8466 1 13 . 1 1 29 29 LYS H H 359 9.216 9.216 8.725 0.491 17742 8467 1 13 . 1 1 30 30 GLU N N 360 119.601 119.601 116.387 3.214 17742 8468 1 13 . 1 1 30 30 GLU HA H 360 3.925 3.925 3.964 -0.039 17742 8469 1 13 . 1 1 30 30 GLU C C 360 178.684 178.684 178.695 -0.011 17742 8470 1 13 . 1 1 30 30 GLU CA C 360 59.570 59.570 59.033 0.537 17742 8471 1 13 . 1 1 30 30 GLU CB C 360 29.177 29.177 29.336 -0.159 17742 8472 1 13 . 1 1 30 30 GLU H H 360 8.340 8.340 8.594 -0.254 17742 8473 1 13 . 1 1 31 31 SER N N 361 113.301 113.301 114.181 -0.880 17742 8474 1 13 . 1 1 31 31 SER HA H 361 4.494 4.494 4.436 0.058 17742 8475 1 13 . 1 1 31 31 SER C C 361 172.357 172.357 174.372 -2.015 17742 8476 1 13 . 1 1 31 31 SER CA C 361 58.807 58.807 58.982 -0.175 17742 8477 1 13 . 1 1 31 31 SER CB C 361 63.768 63.768 63.285 0.483 17742 8478 1 13 . 1 1 31 31 SER H H 361 7.463 7.463 8.037 -0.574 17742 8479 1 13 . 1 1 32 32 LYS N N 362 115.170 115.170 114.735 0.435 17742 8480 1 13 . 1 1 32 32 LYS HA H 362 3.910 3.910 4.335 -0.425 17742 8481 1 13 . 1 1 32 32 LYS C C 362 175.500 175.500 175.120 0.380 17742 8482 1 13 . 1 1 32 32 LYS CA C 362 57.630 57.630 57.001 0.629 17742 8483 1 13 . 1 1 32 32 LYS CB C 362 29.801 29.801 30.183 -0.382 17742 8484 1 13 . 1 1 32 32 LYS H H 362 7.752 7.752 7.840 -0.088 17742 8485 1 13 . 1 1 33 33 ILE N N 363 118.274 118.274 121.161 -2.887 17742 8486 1 13 . 1 1 33 33 ILE HA H 363 5.375 5.375 5.107 0.268 17742 8487 1 13 . 1 1 33 33 ILE C C 363 177.068 177.068 175.660 1.408 17742 8488 1 13 . 1 1 33 33 ILE CA C 363 60.428 60.428 60.080 0.348 17742 8489 1 13 . 1 1 33 33 ILE CB C 363 40.206 40.206 37.572 2.634 17742 8490 1 13 . 1 1 33 33 ILE H H 363 8.262 8.262 8.178 0.084 17742 8491 1 13 . 1 1 34 34 PHE N N 364 128.285 128.285 126.549 1.736 17742 8492 1 13 . 1 1 34 34 PHE HA H 364 5.566 5.566 5.227 0.339 17742 8493 1 13 . 1 1 34 34 PHE C C 364 179.560 179.560 172.966 6.594 17742 8494 1 13 . 1 1 34 34 PHE CA C 364 55.080 55.080 55.042 0.038 17742 8495 1 13 . 1 1 34 34 PHE CB C 364 44.097 44.097 42.440 1.657 17742 8496 1 13 . 1 1 34 34 PHE H H 364 9.936 9.936 9.317 0.619 17742 8497 1 13 . 1 1 35 35 ARG N N 365 120.953 120.953 123.325 -2.372 17742 8498 1 13 . 1 1 35 35 ARG HA H 365 5.484 5.484 4.608 0.876 17742 8499 1 13 . 1 1 35 35 ARG C C 365 176.522 176.522 174.608 1.914 17742 8500 1 13 . 1 1 35 35 ARG CA C 365 53.584 53.584 53.693 -0.109 17742 8501 1 13 . 1 1 35 35 ARG CB C 365 36.439 36.439 33.516 2.923 17742 8502 1 13 . 1 1 35 35 ARG H H 365 9.430 9.430 9.076 0.354 17742 8503 1 13 . 1 1 36 36 ILE N N 366 125.455 125.455 128.508 -3.053 17742 8504 1 13 . 1 1 36 36 ILE HA H 366 4.201 4.201 4.046 0.155 17742 8505 1 13 . 1 1 36 36 ILE C C 366 173.923 173.923 175.027 -1.104 17742 8506 1 13 . 1 1 36 36 ILE CA C 366 63.110 63.110 62.084 1.026 17742 8507 1 13 . 1 1 36 36 ILE CB C 366 37.964 37.964 37.410 0.554 17742 8508 1 13 . 1 1 36 36 ILE H H 366 8.639 8.639 8.360 0.279 17742 8509 1 13 . 1 1 37 37 VAL N N 367 129.251 129.251 128.196 1.055 17742 8510 1 13 . 1 1 37 37 VAL HA H 367 3.674 3.674 3.870 -0.196 17742 8511 1 13 . 1 1 37 37 VAL C C 367 175.948 175.948 176.093 -0.145 17742 8512 1 13 . 1 1 37 37 VAL CA C 367 64.171 64.171 64.578 -0.407 17742 8513 1 13 . 1 1 37 37 VAL CB C 367 32.870 32.870 32.123 0.747 17742 8514 1 13 . 1 1 37 37 VAL H H 367 7.839 7.839 8.523 -0.684 17742 8515 1 13 . 1 1 38 38 ASP N N 368 114.991 114.991 119.336 -4.345 17742 8516 1 13 . 1 1 38 38 ASP HA H 368 5.213 5.213 4.984 0.229 17742 8517 1 13 . 1 1 38 38 ASP CA C 368 50.242 50.242 50.777 -0.535 17742 8518 1 13 . 1 1 38 38 ASP CB C 368 42.169 42.169 42.128 0.041 17742 8519 1 13 . 1 1 38 38 ASP H H 368 7.279 7.279 7.924 -0.645 17742 8520 1 13 . 1 1 39 39 PRO HA H 369 3.794 3.794 4.247 -0.453 17742 8521 1 13 . 1 1 39 39 PRO C C 369 178.037 178.037 178.165 -0.128 17742 8522 1 13 . 1 1 39 39 PRO CA C 369 65.619 65.619 65.617 0.002 17742 8523 1 13 . 1 1 39 39 PRO CB C 369 31.057 31.057 31.702 -0.645 17742 8524 1 13 . 1 1 40 40 ASN N N 370 115.439 115.439 115.657 -0.218 17742 8525 1 13 . 1 1 40 40 ASN HA H 370 4.596 4.596 4.623 -0.027 17742 8526 1 13 . 1 1 40 40 ASN C C 370 178.570 178.570 177.866 0.704 17742 8527 1 13 . 1 1 40 40 ASN CA C 370 56.501 56.501 56.609 -0.108 17742 8528 1 13 . 1 1 40 40 ASN CB C 370 38.012 38.012 38.237 -0.225 17742 8529 1 13 . 1 1 40 40 ASN H H 370 8.121 8.121 8.566 -0.445 17742 8530 1 13 . 1 1 41 41 GLY N N 371 111.317 111.317 108.621 2.696 17742 8531 1 13 . 1 1 41 41 GLY C C 371 176.090 176.090 176.696 -0.606 17742 8532 1 13 . 1 1 41 41 GLY CA C 371 47.932 47.932 46.813 1.119 17742 8533 1 13 . 1 1 41 41 GLY H H 371 8.622 8.622 8.738 -0.116 17742 8534 1 13 . 1 1 42 42 LEU N N 372 122.892 122.892 123.946 -1.054 17742 8535 1 13 . 1 1 42 42 LEU HA H 372 4.031 4.031 4.292 -0.261 17742 8536 1 13 . 1 1 42 42 LEU C C 372 177.766 177.766 178.791 -1.025 17742 8537 1 13 . 1 1 42 42 LEU CA C 372 57.830 57.830 57.773 0.057 17742 8538 1 13 . 1 1 42 42 LEU CB C 372 42.132 42.132 41.316 0.816 17742 8539 1 13 . 1 1 42 42 LEU H H 372 8.881 8.881 8.572 0.309 17742 8540 1 13 . 1 1 43 43 ALA N N 373 120.112 120.112 121.498 -1.386 17742 8541 1 13 . 1 1 43 43 ALA HA H 373 4.458 4.458 4.154 0.304 17742 8542 1 13 . 1 1 43 43 ALA C C 373 179.093 179.093 180.130 -1.037 17742 8543 1 13 . 1 1 43 43 ALA CA C 373 55.451 55.451 55.233 0.218 17742 8544 1 13 . 1 1 43 43 ALA CB C 373 18.324 18.324 18.453 -0.129 17742 8545 1 13 . 1 1 43 43 ALA H H 373 8.072 8.072 8.800 -0.728 17742 8546 1 13 . 1 1 44 44 ARG N N 374 117.916 117.916 118.690 -0.774 17742 8547 1 13 . 1 1 44 44 ARG HA H 374 4.093 4.093 4.179 -0.086 17742 8548 1 13 . 1 1 44 44 ARG C C 374 179.473 179.473 179.146 0.327 17742 8549 1 13 . 1 1 44 44 ARG CA C 374 59.372 59.372 59.321 0.051 17742 8550 1 13 . 1 1 44 44 ARG CB C 374 30.114 30.114 30.245 -0.131 17742 8551 1 13 . 1 1 44 44 ARG H H 374 7.769 7.769 7.742 0.027 17742 8552 1 13 . 1 1 45 45 LEU N N 375 121.489 121.489 121.628 -0.139 17742 8553 1 13 . 1 1 45 45 LEU HA H 375 4.007 4.007 4.002 0.005 17742 8554 1 13 . 1 1 45 45 LEU C C 375 180.049 180.049 178.869 1.180 17742 8555 1 13 . 1 1 45 45 LEU CA C 375 58.390 58.390 58.276 0.114 17742 8556 1 13 . 1 1 45 45 LEU CB C 375 41.552 41.552 41.749 -0.197 17742 8557 1 13 . 1 1 45 45 LEU H H 375 7.903 7.903 8.536 -0.633 17742 8558 1 13 . 1 1 46 46 TRP N N 376 121.466 121.466 121.203 0.263 17742 8559 1 13 . 1 1 46 46 TRP HA H 376 4.089 4.089 3.772 0.317 17742 8560 1 13 . 1 1 46 46 TRP C C 376 177.939 177.939 178.480 -0.541 17742 8561 1 13 . 1 1 46 46 TRP CA C 376 60.022 60.022 60.784 -0.762 17742 8562 1 13 . 1 1 46 46 TRP CB C 376 28.817 28.817 29.064 -0.246 17742 8563 1 13 . 1 1 46 46 TRP H H 376 8.633 8.633 8.876 -0.243 17742 8564 1 13 . 1 1 47 47 GLY N N 377 105.142 105.142 106.090 -0.948 17742 8565 1 13 . 1 1 47 47 GLY C C 377 176.128 176.128 175.734 0.394 17742 8566 1 13 . 1 1 47 47 GLY CA C 377 48.035 48.035 47.084 0.951 17742 8567 1 13 . 1 1 47 47 GLY H H 377 8.828 8.828 8.845 -0.017 17742 8568 1 13 . 1 1 48 48 ASN N N 378 120.327 120.327 121.309 -0.982 17742 8569 1 13 . 1 1 48 48 ASN HA H 378 4.402 4.402 4.371 0.031 17742 8570 1 13 . 1 1 48 48 ASN C C 378 178.625 178.625 177.743 0.882 17742 8571 1 13 . 1 1 48 48 ASN CA C 378 56.231 56.231 55.621 0.610 17742 8572 1 13 . 1 1 48 48 ASN CB C 378 38.132 38.132 38.414 -0.282 17742 8573 1 13 . 1 1 48 48 ASN H H 378 8.212 8.212 8.207 0.005 17742 8574 1 13 . 1 1 49 49 HIS N N 379 121.871 121.871 119.351 2.520 17742 8575 1 13 . 1 1 49 49 HIS HA H 379 4.205 4.205 4.231 -0.026 17742 8576 1 13 . 1 1 49 49 HIS C C 379 176.086 176.086 175.269 0.817 17742 8577 1 13 . 1 1 49 49 HIS CA C 379 59.390 59.390 58.196 1.194 17742 8578 1 13 . 1 1 49 49 HIS CB C 379 29.564 29.564 29.573 -0.009 17742 8579 1 13 . 1 1 49 49 HIS H H 379 8.094 8.094 7.499 0.595 17742 8580 1 13 . 1 1 50 50 LYS N N 380 115.181 115.181 117.062 -1.881 17742 8581 1 13 . 1 1 50 50 LYS HA H 380 3.911 3.911 4.098 -0.187 17742 8582 1 13 . 1 1 50 50 LYS C C 380 175.348 175.348 175.175 0.173 17742 8583 1 13 . 1 1 50 50 LYS CA C 380 53.632 53.632 53.841 -0.209 17742 8584 1 13 . 1 1 50 50 LYS CB C 380 30.742 30.742 30.509 0.233 17742 8585 1 13 . 1 1 50 50 LYS H H 380 7.482 7.482 7.100 0.382 17742 8586 1 13 . 1 1 51 51 ASN N N 381 116.362 116.362 113.053 3.309 17742 8587 1 13 . 1 1 51 51 ASN HA H 381 4.259 4.259 4.121 0.138 17742 8588 1 13 . 1 1 51 51 ASN C C 381 174.400 174.400 174.476 -0.076 17742 8589 1 13 . 1 1 51 51 ASN CA C 381 54.312 54.312 54.362 -0.050 17742 8590 1 13 . 1 1 51 51 ASN CB C 381 37.272 37.272 36.584 0.688 17742 8591 1 13 . 1 1 51 51 ASN H H 381 7.753 7.753 7.623 0.130 17742 8592 1 13 . 1 1 52 52 ARG N N 382 117.723 117.723 118.776 -1.053 17742 8593 1 13 . 1 1 52 52 ARG HA H 382 4.658 4.658 4.689 -0.031 17742 8594 1 13 . 1 1 52 52 ARG C C 382 176.209 176.209 175.742 0.467 17742 8595 1 13 . 1 1 52 52 ARG CA C 382 53.668 53.668 53.760 -0.092 17742 8596 1 13 . 1 1 52 52 ARG CB C 382 32.212 32.212 32.301 -0.089 17742 8597 1 13 . 1 1 52 52 ARG H H 382 8.476 8.476 7.910 0.566 17742 8598 1 13 . 1 1 53 53 THR N N 383 114.109 114.109 115.713 -1.604 17742 8599 1 13 . 1 1 53 53 THR HA H 383 4.221 4.221 4.382 -0.161 17742 8600 1 13 . 1 1 53 53 THR C C 383 174.644 174.644 176.027 -1.383 17742 8601 1 13 . 1 1 53 53 THR CA C 383 62.187 62.187 63.023 -0.836 17742 8602 1 13 . 1 1 53 53 THR CB C 383 69.710 69.710 69.365 0.344 17742 8603 1 13 . 1 1 53 53 THR H H 383 8.333 8.333 8.354 -0.021 17742 8604 1 13 . 1 1 54 54 ASN N N 384 118.768 118.768 121.453 -2.685 17742 8605 1 13 . 1 1 54 54 ASN HA H 384 4.609 4.609 4.829 -0.220 17742 8606 1 13 . 1 1 54 54 ASN C C 384 174.975 174.975 173.902 1.073 17742 8607 1 13 . 1 1 54 54 ASN CA C 384 53.193 53.193 52.743 0.450 17742 8608 1 13 . 1 1 54 54 ASN CB C 384 37.632 37.632 37.482 0.150 17742 8609 1 13 . 1 1 54 54 ASN H H 384 8.521 8.521 8.390 0.131 17742 8610 1 13 . 1 1 55 55 MET N N 385 119.621 119.621 121.660 -2.039 17742 8611 1 13 . 1 1 55 55 MET HA H 385 4.566 4.566 4.393 0.173 17742 8612 1 13 . 1 1 55 55 MET C C 385 175.078 175.078 175.206 -0.128 17742 8613 1 13 . 1 1 55 55 MET CA C 385 55.298 55.298 55.382 -0.084 17742 8614 1 13 . 1 1 55 55 MET CB C 385 31.244 31.244 32.548 -1.304 17742 8615 1 13 . 1 1 55 55 MET H H 385 8.162 8.162 7.604 0.558 17742 8616 1 13 . 1 1 56 56 THR N N 386 113.114 113.114 122.745 -9.631 17742 8617 1 13 . 1 1 56 56 THR HA H 386 4.824 4.824 4.498 0.326 17742 8618 1 13 . 1 1 56 56 THR C C 386 175.549 175.549 175.219 0.330 17742 8619 1 13 . 1 1 56 56 THR CA C 386 59.060 59.060 61.438 -2.378 17742 8620 1 13 . 1 1 56 56 THR CB C 386 72.290 72.290 70.530 1.760 17742 8621 1 13 . 1 1 56 56 THR H H 386 7.031 7.031 8.017 -0.986 17742 8622 1 13 . 1 1 57 57 TYR N N 387 123.401 123.401 125.022 -1.621 17742 8623 1 13 . 1 1 57 57 TYR HA H 387 4.134 4.134 4.199 -0.065 17742 8624 1 13 . 1 1 57 57 TYR C C 387 177.304 177.304 177.453 -0.149 17742 8625 1 13 . 1 1 57 57 TYR CA C 387 62.300 62.300 63.366 -1.066 17742 8626 1 13 . 1 1 57 57 TYR CB C 387 37.359 37.359 38.545 -1.186 17742 8627 1 13 . 1 1 57 57 TYR H H 387 9.691 9.691 9.030 0.661 17742 8628 1 13 . 1 1 58 58 GLU N N 388 120.999 120.999 117.387 3.612 17742 8629 1 13 . 1 1 58 58 GLU HA H 388 3.823 3.823 4.116 -0.293 17742 8630 1 13 . 1 1 58 58 GLU C C 388 179.213 179.213 178.377 0.836 17742 8631 1 13 . 1 1 58 58 GLU CA C 388 60.477 60.477 59.852 0.625 17742 8632 1 13 . 1 1 58 58 GLU CB C 388 28.895 28.895 29.279 -0.384 17742 8633 1 13 . 1 1 58 58 GLU H H 388 8.838 8.838 8.655 0.183 17742 8634 1 13 . 1 1 59 59 LYS N N 389 118.962 118.962 116.305 2.657 17742 8635 1 13 . 1 1 59 59 LYS HA H 389 3.939 3.939 4.099 -0.160 17742 8636 1 13 . 1 1 59 59 LYS C C 389 178.797 178.797 177.977 0.820 17742 8637 1 13 . 1 1 59 59 LYS CA C 389 60.065 60.065 58.838 1.227 17742 8638 1 13 . 1 1 59 59 LYS CB C 389 33.378 33.378 32.380 0.998 17742 8639 1 13 . 1 1 59 59 LYS H H 389 7.506 7.506 8.017 -0.511 17742 8640 1 13 . 1 1 60 60 MET N N 390 120.087 120.087 118.732 1.355 17742 8641 1 13 . 1 1 60 60 MET HA H 390 3.869 3.869 4.453 -0.584 17742 8642 1 13 . 1 1 60 60 MET C C 390 178.146 178.146 177.479 0.667 17742 8643 1 13 . 1 1 60 60 MET CA C 390 59.776 59.776 57.989 1.787 17742 8644 1 13 . 1 1 60 60 MET CB C 390 33.462 33.462 33.052 0.410 17742 8645 1 13 . 1 1 60 60 MET H H 390 8.051 8.051 7.954 0.097 17742 8646 1 13 . 1 1 61 61 SER N N 391 114.537 114.537 116.506 -1.969 17742 8647 1 13 . 1 1 61 61 SER HA H 391 3.786 3.786 3.839 -0.053 17742 8648 1 13 . 1 1 61 61 SER C C 391 176.380 176.380 175.752 0.628 17742 8649 1 13 . 1 1 61 61 SER CA C 391 61.600 61.600 61.780 -0.180 17742 8650 1 13 . 1 1 61 61 SER CB C 391 62.251 62.251 62.562 -0.311 17742 8651 1 13 . 1 1 61 61 SER H H 391 8.853 8.853 8.651 0.202 17742 8652 1 13 . 1 1 62 62 ARG N N 392 122.214 122.214 120.184 2.030 17742 8653 1 13 . 1 1 62 62 ARG HA H 392 3.928 3.928 4.006 -0.078 17742 8654 1 13 . 1 1 62 62 ARG C C 392 178.732 178.732 177.336 1.396 17742 8655 1 13 . 1 1 62 62 ARG CA C 392 59.490 59.490 58.499 0.991 17742 8656 1 13 . 1 1 62 62 ARG CB C 392 30.207 30.207 29.407 0.801 17742 8657 1 13 . 1 1 62 62 ARG H H 392 7.471 7.471 7.523 -0.052 17742 8658 1 13 . 1 1 63 63 ALA N N 393 121.091 121.091 119.724 1.367 17742 8659 1 13 . 1 1 63 63 ALA HA H 393 4.162 4.162 4.211 -0.049 17742 8660 1 13 . 1 1 63 63 ALA C C 393 179.699 179.699 179.444 0.255 17742 8661 1 13 . 1 1 63 63 ALA CA C 393 54.722 54.722 54.185 0.537 17742 8662 1 13 . 1 1 63 63 ALA CB C 393 18.154 18.154 18.698 -0.544 17742 8663 1 13 . 1 1 63 63 ALA H H 393 7.376 7.376 7.336 0.040 17742 8664 1 13 . 1 1 64 64 LEU N N 394 117.568 117.568 118.936 -1.368 17742 8665 1 13 . 1 1 64 64 LEU HA H 394 3.777 3.777 3.011 0.766 17742 8666 1 13 . 1 1 64 64 LEU C C 394 178.085 178.085 178.203 -0.118 17742 8667 1 13 . 1 1 64 64 LEU CA C 394 58.075 58.075 56.691 1.384 17742 8668 1 13 . 1 1 64 64 LEU CB C 394 41.052 41.052 41.052 -0.000 17742 8669 1 13 . 1 1 64 64 LEU H H 394 7.853 7.853 6.971 0.882 17742 8670 1 13 . 1 1 65 65 ARG N N 395 116.111 116.111 118.253 -2.142 17742 8671 1 13 . 1 1 65 65 ARG HA H 395 3.529 3.529 3.779 -0.250 17742 8672 1 13 . 1 1 65 65 ARG C C 395 179.519 179.519 178.532 0.987 17742 8673 1 13 . 1 1 65 65 ARG CA C 395 59.133 59.133 58.611 0.522 17742 8674 1 13 . 1 1 65 65 ARG CB C 395 30.004 30.004 29.384 0.620 17742 8675 1 13 . 1 1 65 65 ARG H H 395 7.521 7.521 8.107 -0.586 17742 8676 1 13 . 1 1 66 66 HIS N N 396 118.081 118.081 116.839 1.242 17742 8677 1 13 . 1 1 66 66 HIS HA H 396 4.436 4.436 4.459 -0.023 17742 8678 1 13 . 1 1 66 66 HIS C C 396 177.826 177.826 177.777 0.049 17742 8679 1 13 . 1 1 66 66 HIS CA C 396 59.063 59.063 59.606 -0.543 17742 8680 1 13 . 1 1 66 66 HIS CB C 396 30.154 30.154 30.097 0.057 17742 8681 1 13 . 1 1 66 66 HIS H H 396 7.241 7.241 7.614 -0.373 17742 8682 1 13 . 1 1 67 67 TYR N N 397 116.301 116.301 119.294 -2.993 17742 8683 1 13 . 1 1 67 67 TYR HA H 397 4.128 4.128 4.256 -0.128 17742 8684 1 13 . 1 1 67 67 TYR C C 397 179.075 179.075 178.039 1.036 17742 8685 1 13 . 1 1 67 67 TYR CA C 397 61.525 61.525 58.866 2.659 17742 8686 1 13 . 1 1 67 67 TYR CB C 397 37.522 37.522 36.612 0.910 17742 8687 1 13 . 1 1 67 67 TYR H H 397 7.532 7.532 7.640 -0.108 17742 8688 1 13 . 1 1 68 68 TYR N N 398 121.389 121.389 117.821 3.568 17742 8689 1 13 . 1 1 68 68 TYR HA H 398 5.474 5.474 4.713 0.761 17742 8690 1 13 . 1 1 68 68 TYR C C 398 172.285 172.285 178.098 -5.813 17742 8691 1 13 . 1 1 68 68 TYR CA C 398 57.651 57.651 59.192 -1.541 17742 8692 1 13 . 1 1 68 68 TYR CB C 398 37.055 37.055 37.479 -0.424 17742 8693 1 13 . 1 1 68 68 TYR H H 398 8.061 8.061 7.521 0.540 17742 8694 1 13 . 1 1 69 69 LYS N N 399 121.098 121.098 117.801 3.297 17742 8695 1 13 . 1 1 69 69 LYS HA H 399 4.125 4.125 4.267 -0.142 17742 8696 1 13 . 1 1 69 69 LYS C C 399 178.122 178.122 178.295 -0.173 17742 8697 1 13 . 1 1 69 69 LYS CA C 399 58.801 58.801 56.772 2.029 17742 8698 1 13 . 1 1 69 69 LYS CB C 399 32.242 32.242 32.250 -0.008 17742 8699 1 13 . 1 1 69 69 LYS H H 399 7.799 7.799 7.741 0.058 17742 8700 1 13 . 1 1 70 70 LEU N N 400 116.117 116.117 117.855 -1.738 17742 8701 1 13 . 1 1 70 70 LEU HA H 400 4.312 4.312 4.325 -0.013 17742 8702 1 13 . 1 1 70 70 LEU C C 400 175.903 175.903 176.225 -0.322 17742 8703 1 13 . 1 1 70 70 LEU CA C 400 54.642 54.642 55.081 -0.439 17742 8704 1 13 . 1 1 70 70 LEU CB C 400 42.796 42.796 41.870 0.927 17742 8705 1 13 . 1 1 70 70 LEU H H 400 7.257 7.257 7.819 -0.562 17742 8706 1 13 . 1 1 71 71 ASN N N 401 115.181 115.181 114.471 0.710 17742 8707 1 13 . 1 1 71 71 ASN HA H 401 4.368 4.368 4.382 -0.014 17742 8708 1 13 . 1 1 71 71 ASN C C 401 173.597 173.597 176.263 -2.666 17742 8709 1 13 . 1 1 71 71 ASN CA C 401 54.622 54.622 54.331 0.291 17742 8710 1 13 . 1 1 71 71 ASN CB C 401 37.252 37.252 37.263 -0.011 17742 8711 1 13 . 1 1 71 71 ASN H H 401 8.061 8.061 7.439 0.622 17742 8712 1 13 . 1 1 72 72 ILE N N 402 114.031 114.031 118.359 -4.328 17742 8713 1 13 . 1 1 72 72 ILE HA H 402 4.128 4.128 3.925 0.203 17742 8714 1 13 . 1 1 72 72 ILE C C 402 176.467 176.467 175.393 1.074 17742 8715 1 13 . 1 1 72 72 ILE CA C 402 63.720 63.720 64.614 -0.894 17742 8716 1 13 . 1 1 72 72 ILE CB C 402 40.491 40.491 39.039 1.452 17742 8717 1 13 . 1 1 72 72 ILE H H 402 8.104 8.104 8.300 -0.196 17742 8718 1 13 . 1 1 73 73 ILE N N 403 116.973 116.973 117.254 -0.281 17742 8719 1 13 . 1 1 73 73 ILE HA H 403 5.014 5.014 5.220 -0.206 17742 8720 1 13 . 1 1 73 73 ILE C C 403 174.039 174.039 174.104 -0.065 17742 8721 1 13 . 1 1 73 73 ILE CA C 403 59.357 59.357 59.496 -0.140 17742 8722 1 13 . 1 1 73 73 ILE CB C 403 43.362 43.362 41.206 2.156 17742 8723 1 13 . 1 1 73 73 ILE H H 403 7.099 7.099 7.511 -0.412 17742 8724 1 13 . 1 1 74 74 ARG N N 404 123.639 123.639 125.598 -1.959 17742 8725 1 13 . 1 1 74 74 ARG HA H 404 4.771 4.771 4.825 -0.054 17742 8726 1 13 . 1 1 74 74 ARG C C 404 174.917 174.917 174.169 0.748 17742 8727 1 13 . 1 1 74 74 ARG CA C 404 54.261 54.261 54.315 -0.054 17742 8728 1 13 . 1 1 74 74 ARG CB C 404 34.689 34.689 33.491 1.198 17742 8729 1 13 . 1 1 74 74 ARG H H 404 8.983 8.983 8.408 0.575 17742 8730 1 13 . 1 1 75 75 LYS N N 405 125.665 125.665 122.764 2.901 17742 8731 1 13 . 1 1 75 75 LYS HA H 405 4.071 4.071 4.613 -0.542 17742 8732 1 13 . 1 1 75 75 LYS C C 405 176.525 176.525 176.559 -0.034 17742 8733 1 13 . 1 1 75 75 LYS CA C 405 56.470 56.470 56.251 0.220 17742 8734 1 13 . 1 1 75 75 LYS CB C 405 32.649 32.649 32.832 -0.183 17742 8735 1 13 . 1 1 75 75 LYS H H 405 8.263 8.263 8.315 -0.052 17742 8736 1 13 . 1 1 76 76 GLU N N 406 128.072 128.072 124.714 3.358 17742 8737 1 13 . 1 1 76 76 GLU HA H 406 4.432 4.432 4.377 0.055 17742 8738 1 13 . 1 1 76 76 GLU CA C 406 53.747 53.747 54.301 -0.554 17742 8739 1 13 . 1 1 76 76 GLU CB C 406 29.914 29.914 29.233 0.681 17742 8740 1 13 . 1 1 76 76 GLU H H 406 8.024 8.024 8.397 -0.373 17742 8741 1 13 . 1 1 77 77 PRO HA H 407 4.282 4.282 4.247 0.035 17742 8742 1 13 . 1 1 77 77 PRO C C 407 177.719 177.719 177.697 0.022 17742 8743 1 13 . 1 1 77 77 PRO CA C 407 63.407 63.407 64.117 -0.710 17742 8744 1 13 . 1 1 77 77 PRO CB C 407 32.184 32.184 31.192 0.992 17742 8745 1 13 . 1 1 78 78 GLY N N 408 109.716 109.716 112.818 -3.102 17742 8746 1 13 . 1 1 78 78 GLY C C 408 174.053 174.053 174.310 -0.257 17742 8747 1 13 . 1 1 78 78 GLY CA C 408 45.519 45.519 44.870 0.649 17742 8748 1 13 . 1 1 78 78 GLY H H 408 8.531 8.531 8.726 -0.195 17742 8749 1 13 . 1 1 79 79 GLN N N 409 116.964 116.964 119.713 -2.749 17742 8750 1 13 . 1 1 79 79 GLN HA H 409 4.488 4.488 4.496 -0.008 17742 8751 1 13 . 1 1 79 79 GLN C C 409 175.390 175.390 176.076 -0.686 17742 8752 1 13 . 1 1 79 79 GLN CA C 409 54.359 54.359 54.933 -0.574 17742 8753 1 13 . 1 1 79 79 GLN CB C 409 31.202 31.202 30.201 1.001 17742 8754 1 13 . 1 1 79 79 GLN H H 409 7.559 7.559 7.906 -0.347 17742 8755 1 13 . 1 1 80 80 ARG N N 410 120.457 120.457 121.314 -0.857 17742 8756 1 13 . 1 1 80 80 ARG HA H 410 4.262 4.262 4.246 0.016 17742 8757 1 13 . 1 1 80 80 ARG C C 410 176.270 176.270 177.531 -1.261 17742 8758 1 13 . 1 1 80 80 ARG CA C 410 56.821 56.821 57.263 -0.442 17742 8759 1 13 . 1 1 80 80 ARG CB C 410 31.502 31.502 29.388 2.114 17742 8760 1 13 . 1 1 80 80 ARG H H 410 8.251 8.251 8.611 -0.360 17742 8761 1 13 . 1 1 81 81 LEU N N 411 119.348 119.348 120.647 -1.299 17742 8762 1 13 . 1 1 81 81 LEU HA H 411 4.023 4.023 4.345 -0.322 17742 8763 1 13 . 1 1 81 81 LEU C C 411 173.279 173.279 175.064 -1.785 17742 8764 1 13 . 1 1 81 81 LEU CA C 411 55.030 55.030 53.883 1.147 17742 8765 1 13 . 1 1 81 81 LEU CB C 411 40.335 40.335 40.840 -0.505 17742 8766 1 13 . 1 1 81 81 LEU H H 411 8.435 8.435 8.234 0.201 17742 8767 1 13 . 1 1 82 82 LEU N N 412 119.070 119.070 121.334 -2.264 17742 8768 1 13 . 1 1 82 82 LEU HA H 412 5.013 5.013 4.370 0.643 17742 8769 1 13 . 1 1 82 82 LEU C C 412 175.361 175.361 175.588 -0.227 17742 8770 1 13 . 1 1 82 82 LEU CA C 412 53.212 53.212 53.690 -0.478 17742 8771 1 13 . 1 1 82 82 LEU CB C 412 45.471 45.471 41.475 3.996 17742 8772 1 13 . 1 1 82 82 LEU H H 412 6.751 6.751 7.304 -0.553 17742 8773 1 13 . 1 1 83 83 PHE N N 413 122.184 122.184 124.708 -2.524 17742 8774 1 13 . 1 1 83 83 PHE HA H 413 4.865 4.865 5.327 -0.462 17742 8775 1 13 . 1 1 83 83 PHE C C 413 172.849 172.849 174.576 -1.727 17742 8776 1 13 . 1 1 83 83 PHE CA C 413 55.921 55.921 54.423 1.498 17742 8777 1 13 . 1 1 83 83 PHE CB C 413 44.569 44.569 42.657 1.912 17742 8778 1 13 . 1 1 83 83 PHE H H 413 8.661 8.661 8.888 -0.227 17742 8779 1 13 . 1 1 84 84 ARG N N 414 119.461 119.461 119.689 -0.228 17742 8780 1 13 . 1 1 84 84 ARG HA H 414 5.581 5.581 5.400 0.181 17742 8781 1 13 . 1 1 84 84 ARG C C 414 177.641 177.641 174.957 2.684 17742 8782 1 13 . 1 1 84 84 ARG CA C 414 54.239 54.239 55.330 -1.091 17742 8783 1 13 . 1 1 84 84 ARG CB C 414 36.198 36.198 34.136 2.062 17742 8784 1 13 . 1 1 84 84 ARG H H 414 9.098 9.098 8.815 0.283 17742 8785 1 13 . 1 1 85 85 PHE N N 415 124.274 124.274 127.714 -3.440 17742 8786 1 13 . 1 1 85 85 PHE HA H 415 5.027 5.027 5.149 -0.122 17742 8787 1 13 . 1 1 85 85 PHE C C 415 176.117 176.117 176.125 -0.008 17742 8788 1 13 . 1 1 85 85 PHE CA C 415 59.657 59.657 59.258 0.399 17742 8789 1 13 . 1 1 85 85 PHE CB C 415 40.819 40.819 38.370 2.449 17742 8790 1 13 . 1 1 85 85 PHE H H 415 8.928 8.928 9.416 -0.488 17742 8791 1 13 . 1 1 86 86 MET N N 416 121.081 121.081 122.409 -1.328 17742 8792 1 13 . 1 1 86 86 MET HA H 416 4.656 4.656 4.334 0.322 17742 8793 1 13 . 1 1 86 86 MET C C 416 176.444 176.444 176.610 -0.166 17742 8794 1 13 . 1 1 86 86 MET CA C 416 54.681 54.681 57.745 -3.064 17742 8795 1 13 . 1 1 86 86 MET CB C 416 31.698 31.698 33.026 -1.328 17742 8796 1 13 . 1 1 86 86 MET H H 416 8.676 8.676 8.568 0.108 17742 8797 1 13 . 1 1 87 87 LYS N N 417 117.772 117.772 114.596 3.176 17742 8798 1 13 . 1 1 87 87 LYS HA H 417 4.899 4.899 4.751 0.148 17742 8799 1 13 . 1 1 87 87 LYS C C 417 175.621 175.621 174.919 0.702 17742 8800 1 13 . 1 1 87 87 LYS CA C 417 54.522 54.522 54.620 -0.098 17742 8801 1 13 . 1 1 87 87 LYS CB C 417 37.905 37.905 35.596 2.309 17742 8802 1 13 . 1 1 87 87 LYS H H 417 7.624 7.624 7.391 0.233 17742 8803 1 13 . 1 1 88 88 THR N N 418 112.426 112.426 111.124 1.302 17742 8804 1 13 . 1 1 88 88 THR HA H 418 4.372 4.372 4.514 -0.142 17742 8805 1 13 . 1 1 88 88 THR CA C 418 59.786 59.786 58.671 1.115 17742 8806 1 13 . 1 1 88 88 THR CB C 418 68.040 68.040 68.109 -0.069 17742 8807 1 13 . 1 1 88 88 THR H H 418 8.787 8.787 9.249 -0.462 17742 8808 1 13 . 1 1 89 89 PRO HA H 419 3.654 3.654 3.364 0.290 17742 8809 1 13 . 1 1 89 89 PRO C C 419 177.412 177.412 178.528 -1.116 17742 8810 1 13 . 1 1 89 89 PRO CA C 419 65.712 65.712 66.656 -0.944 17742 8811 1 13 . 1 1 89 89 PRO CB C 419 31.762 31.762 31.656 0.106 17742 8812 1 13 . 1 1 90 90 ASP N N 420 114.221 114.221 115.043 -0.822 17742 8813 1 13 . 1 1 90 90 ASP HA H 420 4.224 4.224 4.299 -0.075 17742 8814 1 13 . 1 1 90 90 ASP C C 420 178.341 178.341 178.472 -0.131 17742 8815 1 13 . 1 1 90 90 ASP CA C 420 56.657 56.657 57.285 -0.628 17742 8816 1 13 . 1 1 90 90 ASP CB C 420 40.642 40.642 40.546 0.096 17742 8817 1 13 . 1 1 90 90 ASP H H 420 7.958 7.958 8.621 -0.663 17742 8818 1 13 . 1 1 91 91 GLU N N 421 119.443 119.443 118.420 1.023 17742 8819 1 13 . 1 1 91 91 GLU HA H 421 4.006 4.006 4.029 -0.023 17742 8820 1 13 . 1 1 91 91 GLU C C 421 179.238 179.238 178.374 0.864 17742 8821 1 13 . 1 1 91 91 GLU CA C 421 58.458 58.458 58.543 -0.085 17742 8822 1 13 . 1 1 91 91 GLU CB C 421 30.774 30.774 29.715 1.059 17742 8823 1 13 . 1 1 91 91 GLU H H 421 7.628 7.628 7.523 0.105 17742 8824 1 13 . 1 1 92 92 ILE N N 422 120.617 120.617 118.349 2.268 17742 8825 1 13 . 1 1 92 92 ILE HA H 422 3.589 3.589 3.573 0.016 17742 8826 1 13 . 1 1 92 92 ILE C C 422 178.124 178.124 178.027 0.097 17742 8827 1 13 . 1 1 92 92 ILE CA C 422 63.878 63.878 64.337 -0.459 17742 8828 1 13 . 1 1 92 92 ILE CB C 422 38.142 38.142 37.734 0.408 17742 8829 1 13 . 1 1 92 92 ILE H H 422 7.896 7.896 7.449 0.447 17742 8830 1 13 . 1 1 93 93 MET N N 423 117.857 117.857 118.208 -0.351 17742 8831 1 13 . 1 1 93 93 MET HA H 423 4.365 4.365 4.244 0.121 17742 8832 1 13 . 1 1 93 93 MET C C 423 177.009 177.009 177.707 -0.698 17742 8833 1 13 . 1 1 93 93 MET CA C 423 56.527 56.527 58.735 -2.208 17742 8834 1 13 . 1 1 93 93 MET CB C 423 32.617 32.617 32.572 0.045 17742 8835 1 13 . 1 1 93 93 MET H H 423 8.161 8.161 8.583 -0.422 17742 8836 1 13 . 1 1 94 94 SER N N 424 114.591 114.591 112.722 1.869 17742 8837 1 13 . 1 1 94 94 SER HA H 424 4.406 4.406 4.463 -0.057 17742 8838 1 13 . 1 1 94 94 SER C C 424 175.262 175.262 174.399 0.863 17742 8839 1 13 . 1 1 94 94 SER CA C 424 59.482 59.482 57.908 1.573 17742 8840 1 13 . 1 1 94 94 SER CB C 424 63.466 63.466 63.173 0.293 17742 8841 1 13 . 1 1 94 94 SER H H 424 7.744 7.744 7.590 0.154 17742 8842 1 13 . 1 1 95 95 GLY N N 425 109.590 109.590 109.808 -0.218 17742 8843 1 13 . 1 1 95 95 GLY C C 425 174.197 174.197 173.499 0.698 17742 8844 1 13 . 1 1 95 95 GLY CA C 425 45.122 45.122 45.143 -0.021 17742 8845 1 13 . 1 1 95 95 GLY H H 425 7.970 7.970 8.032 -0.062 17742 8846 1 13 . 1 1 96 96 ARG N N 426 119.792 119.792 121.666 -1.874 17742 8847 1 13 . 1 1 96 96 ARG HA H 426 4.567 4.567 5.003 -0.436 17742 8848 1 13 . 1 1 96 96 ARG C C 426 177.866 177.866 177.010 0.856 17742 8849 1 13 . 1 1 96 96 ARG CA C 426 55.757 55.757 53.943 1.814 17742 8850 1 13 . 1 1 96 96 ARG CB C 426 30.059 30.059 28.072 1.987 17742 8851 1 13 . 1 1 96 96 ARG H H 426 8.144 8.144 8.466 -0.322 17742 8852 1 13 . 1 1 97 97 THR N N 427 114.770 114.770 112.670 2.100 17742 8853 1 13 . 1 1 97 97 THR HA H 427 4.221 4.221 4.297 -0.076 17742 8854 1 13 . 1 1 97 97 THR C C 427 175.449 175.449 175.454 -0.005 17742 8855 1 13 . 1 1 97 97 THR CA C 427 63.411 63.411 65.570 -2.159 17742 8856 1 13 . 1 1 97 97 THR CB C 427 69.080 69.080 68.945 0.135 17742 8857 1 13 . 1 1 97 97 THR H H 427 8.427 8.427 7.806 0.621 17742 8858 1 13 . 1 1 98 98 ASP N N 428 122.017 122.017 122.241 -0.224 17742 8859 1 13 . 1 1 98 98 ASP HA H 428 4.404 4.404 4.307 0.097 17742 8860 1 13 . 1 1 98 98 ASP C C 428 178.042 178.042 178.333 -0.291 17742 8861 1 13 . 1 1 98 98 ASP CA C 428 56.438 56.438 57.261 -0.823 17742 8862 1 13 . 1 1 98 98 ASP CB C 428 40.012 40.012 40.139 -0.127 17742 8863 1 13 . 1 1 98 98 ASP H H 428 8.659 8.659 8.662 -0.003 17742 8864 1 13 . 1 1 99 99 ARG N N 429 120.083 120.083 119.513 0.570 17742 8865 1 13 . 1 1 99 99 ARG HA H 429 4.190 4.190 4.190 0.000 17742 8866 1 13 . 1 1 99 99 ARG C C 429 178.236 178.236 178.556 -0.320 17742 8867 1 13 . 1 1 99 99 ARG CA C 429 58.307 58.307 58.907 -0.600 17742 8868 1 13 . 1 1 99 99 ARG CB C 429 30.073 30.073 30.123 -0.050 17742 8869 1 13 . 1 1 99 99 ARG H H 429 8.011 8.011 8.255 -0.244 17742 8870 1 13 . 1 1 100 100 LEU N N 430 119.784 119.784 120.405 -0.621 17742 8871 1 13 . 1 1 100 100 LEU HA H 430 4.048 4.048 4.103 -0.055 17742 8872 1 13 . 1 1 100 100 LEU C C 430 178.209 178.209 178.785 -0.576 17742 8873 1 13 . 1 1 100 100 LEU CA C 430 57.535 57.535 57.878 -0.343 17742 8874 1 13 . 1 1 100 100 LEU CB C 430 42.218 42.218 41.883 0.335 17742 8875 1 13 . 1 1 100 100 LEU H H 430 7.667 7.667 7.628 0.039 17742 8876 1 13 . 1 1 101 101 GLU N N 431 119.434 119.434 118.884 0.550 17742 8877 1 13 . 1 1 101 101 GLU HA H 431 3.962 3.962 4.030 -0.068 17742 8878 1 13 . 1 1 101 101 GLU C C 431 178.773 178.773 179.296 -0.523 17742 8879 1 13 . 1 1 101 101 GLU CA C 431 59.470 59.470 59.383 0.087 17742 8880 1 13 . 1 1 101 101 GLU CB C 431 29.667 29.667 29.584 0.083 17742 8881 1 13 . 1 1 101 101 GLU H H 431 8.339 8.339 8.701 -0.362 17742 8882 1 13 . 1 1 102 102 HIS N N 432 118.026 118.026 118.745 -0.719 17742 8883 1 13 . 1 1 102 102 HIS HA H 432 4.463 4.463 4.452 0.011 17742 8884 1 13 . 1 1 102 102 HIS C C 432 177.322 177.322 177.578 -0.256 17742 8885 1 13 . 1 1 102 102 HIS CA C 432 58.432 58.432 58.988 -0.556 17742 8886 1 13 . 1 1 102 102 HIS CB C 432 29.237 29.237 30.321 -1.084 17742 8887 1 13 . 1 1 102 102 HIS H H 432 7.995 7.995 7.619 0.376 17742 8888 1 13 . 1 1 103 103 LEU N N 433 120.785 120.785 120.715 0.070 17742 8889 1 13 . 1 1 103 103 LEU HA H 433 3.971 3.971 3.982 -0.011 17742 8890 1 13 . 1 1 103 103 LEU C C 433 179.014 179.014 178.469 0.545 17742 8891 1 13 . 1 1 103 103 LEU CA C 433 57.570 57.570 57.697 -0.127 17742 8892 1 13 . 1 1 103 103 LEU CB C 433 41.606 41.606 41.238 0.368 17742 8893 1 13 . 1 1 103 103 LEU H H 433 8.077 8.077 8.415 -0.338 17742 8894 1 13 . 1 1 104 104 GLU N N 434 119.107 119.107 119.658 -0.551 17742 8895 1 13 . 1 1 104 104 GLU HA H 434 4.025 4.025 3.901 0.124 17742 8896 1 13 . 1 1 104 104 GLU C C 434 178.187 178.187 178.813 -0.626 17742 8897 1 13 . 1 1 104 104 GLU CA C 434 60.221 60.221 60.653 -0.431 17742 8898 1 13 . 1 1 104 104 GLU CB C 434 30.104 30.104 29.366 0.739 17742 8899 1 13 . 1 1 104 104 GLU H H 434 8.443 8.443 8.588 -0.145 17742 8900 1 13 . 1 1 105 105 SER N N 435 114.129 114.129 112.372 1.757 17742 8901 1 13 . 1 1 105 105 SER HA H 435 4.204 4.204 4.014 0.190 17742 8902 1 13 . 1 1 105 105 SER C C 435 175.924 175.924 176.410 -0.486 17742 8903 1 13 . 1 1 105 105 SER CA C 435 61.303 61.303 62.116 -0.813 17742 8904 1 13 . 1 1 105 105 SER CB C 435 63.070 63.070 62.751 0.319 17742 8905 1 13 . 1 1 105 105 SER H H 435 8.041 8.041 8.389 -0.348 17742 8906 1 13 . 1 1 106 106 GLN N N 436 120.201 120.201 120.401 -0.200 17742 8907 1 13 . 1 1 106 106 GLN HA H 436 4.124 4.124 4.061 0.063 17742 8908 1 13 . 1 1 106 106 GLN C C 436 178.242 178.242 178.363 -0.121 17742 8909 1 13 . 1 1 106 106 GLN CA C 436 58.242 58.242 58.322 -0.080 17742 8910 1 13 . 1 1 106 106 GLN CB C 436 29.001 29.001 29.122 -0.121 17742 8911 1 13 . 1 1 106 106 GLN H H 436 7.823 7.823 7.660 0.163 17742 8912 1 13 . 1 1 107 107 VAL N N 437 117.503 117.503 121.012 -3.509 17742 8913 1 13 . 1 1 107 107 VAL HA H 437 3.955 3.955 3.945 0.010 17742 8914 1 13 . 1 1 107 107 VAL C C 437 177.462 177.462 177.202 0.260 17742 8915 1 13 . 1 1 107 107 VAL CA C 437 64.414 64.414 65.543 -1.129 17742 8916 1 13 . 1 1 107 107 VAL CB C 437 32.192 32.192 31.979 0.213 17742 8917 1 13 . 1 1 107 107 VAL H H 437 7.711 7.711 8.394 -0.683 17742 8918 1 13 . 1 1 108 108 LEU HA H 438 4.072 4.072 4.119 -0.047 17742 8919 1 13 . 1 1 108 108 LEU C C 438 177.614 177.614 177.712 -0.098 17742 8920 1 13 . 1 1 108 108 LEU CA C 438 56.521 56.521 56.684 -0.163 17742 8921 1 13 . 1 1 108 108 LEU CB C 438 42.149 42.149 41.504 0.645 17742 8922 1 13 . 1 1 109 109 ASP N N 439 118.500 118.500 116.689 1.811 17742 8923 1 13 . 1 1 109 109 ASP HA H 439 4.685 4.685 4.586 0.099 17742 8924 1 13 . 1 1 109 109 ASP C C 439 176.372 176.372 177.006 -0.634 17742 8925 1 13 . 1 1 109 109 ASP CA C 439 54.653 54.653 54.237 0.416 17742 8926 1 13 . 1 1 109 109 ASP CB C 439 41.425 41.425 41.512 -0.087 17742 8927 1 13 . 1 1 109 109 ASP H H 439 7.872 7.872 7.434 0.438 17742 8928 1 13 . 1 1 110 110 GLU N N 440 120.701 120.701 118.430 2.271 17742 8929 1 13 . 1 1 110 110 GLU HA H 440 4.188 4.188 3.984 0.204 17742 8930 1 13 . 1 1 110 110 GLU C C 440 176.739 176.739 177.010 -0.271 17742 8931 1 13 . 1 1 110 110 GLU CA C 440 57.310 57.310 58.427 -1.117 17742 8932 1 13 . 1 1 110 110 GLU CB C 440 30.091 30.091 29.859 0.232 17742 8933 1 13 . 1 1 110 110 GLU H H 440 7.929 7.929 7.720 0.209 17742 8934 1 13 . 1 1 111 111 GLN N N 441 120.829 120.829 116.900 3.929 17742 8935 1 13 . 1 1 111 111 GLN HA H 441 4.341 4.341 4.377 -0.036 17742 8936 1 13 . 1 1 111 111 GLN C C 441 176.214 176.214 177.082 -0.868 17742 8937 1 13 . 1 1 111 111 GLN CA C 441 56.103 56.103 55.575 0.528 17742 8938 1 13 . 1 1 111 111 GLN CB C 441 29.607 29.607 28.574 1.033 17742 8939 1 13 . 1 1 111 111 GLN H H 441 8.434 8.434 7.799 0.635 17742 8940 1 13 . 1 1 112 112 THR N N 442 114.861 114.861 119.977 -5.116 17742 8941 1 13 . 1 1 112 112 THR HA H 442 4.258 4.258 4.152 0.106 17742 8942 1 13 . 1 1 112 112 THR C C 442 174.095 174.095 174.714 -0.619 17742 8943 1 13 . 1 1 112 112 THR CA C 442 62.140 62.140 64.501 -2.361 17742 8944 1 13 . 1 1 112 112 THR CB C 442 69.870 69.870 69.353 0.517 17742 8945 1 13 . 1 1 112 112 THR H H 442 8.038 8.038 8.689 -0.651 17742 8946 1 13 . 1 1 113 113 TYR N N 443 122.709 122.709 114.808 7.901 17742 8947 1 13 . 1 1 113 113 TYR HA H 443 4.552 4.552 4.807 -0.255 17742 8948 1 13 . 1 1 113 113 TYR C C 443 175.303 175.303 174.448 0.855 17742 8949 1 13 . 1 1 113 113 TYR CA C 443 57.921 57.921 55.828 2.093 17742 8950 1 13 . 1 1 113 113 TYR CB C 443 38.982 38.982 37.622 1.360 17742 8951 1 13 . 1 1 113 113 TYR H H 443 8.171 8.171 7.345 0.826 17742 8952 1 13 . 1 1 114 114 GLN N N 444 122.768 122.768 117.576 5.192 17742 8953 1 13 . 1 1 114 114 GLN HA H 444 4.284 4.284 3.818 0.466 17742 8954 1 13 . 1 1 114 114 GLN C C 444 175.372 175.372 174.875 0.497 17742 8955 1 13 . 1 1 114 114 GLN CA C 444 55.543 55.543 56.755 -1.212 17742 8956 1 13 . 1 1 114 114 GLN CB C 444 29.894 29.894 27.106 2.788 17742 8957 1 13 . 1 1 114 114 GLN H H 444 8.202 8.202 8.081 0.121 17742 8958 1 13 . 1 1 115 115 GLU N N 445 122.370 122.370 118.133 4.237 17742 8959 1 13 . 1 1 115 115 GLU HA H 445 4.225 4.225 2.498 1.727 17742 8960 1 13 . 1 1 115 115 GLU C C 445 176.058 176.058 175.672 0.386 17742 8961 1 13 . 1 1 115 115 GLU CA C 445 56.612 56.612 56.465 0.147 17742 8962 1 13 . 1 1 115 115 GLU CB C 445 30.517 30.517 29.497 1.020 17742 8963 1 13 . 1 1 115 115 GLU H H 445 8.371 8.371 7.677 0.694 17742 8964 1 13 . 1 1 116 116 ASP N N 446 121.090 121.090 125.976 -4.886 17742 8965 1 13 . 1 1 116 116 ASP HA H 446 4.595 4.595 4.555 0.040 17742 8966 1 13 . 1 1 116 116 ASP C C 446 175.872 175.872 175.495 0.377 17742 8967 1 13 . 1 1 116 116 ASP CA C 446 54.382 54.382 55.637 -1.255 17742 8968 1 13 . 1 1 116 116 ASP CB C 446 41.402 41.402 42.125 -0.723 17742 8969 1 13 . 1 1 116 116 ASP H H 446 8.336 8.336 8.365 -0.029 17742 8970 1 13 . 1 1 117 117 GLU N N 447 121.977 121.977 117.707 4.270 17742 8971 1 13 . 1 1 117 117 GLU HA H 447 4.575 4.575 4.796 -0.221 17742 8972 1 13 . 1 1 117 117 GLU CA C 447 54.442 54.442 53.254 1.188 17742 8973 1 13 . 1 1 117 117 GLU CB C 447 30.254 30.254 30.350 -0.096 17742 8974 1 13 . 1 1 117 117 GLU H H 447 8.194 8.194 7.611 0.583 17742 8975 1 13 . 1 1 118 118 PRO HA H 448 4.461 4.461 4.724 -0.263 17742 8976 1 13 . 1 1 118 118 PRO C C 448 177.160 177.160 176.328 0.832 17742 8977 1 13 . 1 1 118 118 PRO CA C 448 63.371 63.371 62.971 0.400 17742 8978 1 13 . 1 1 118 118 PRO CB C 448 32.302 32.302 30.832 1.470 17742 8979 1 13 . 1 1 119 119 THR N N 449 114.788 114.788 119.024 -4.236 17742 8980 1 13 . 1 1 119 119 THR HA H 449 4.292 4.292 4.293 -0.001 17742 8981 1 13 . 1 1 119 119 THR C C 449 174.664 174.664 173.627 1.037 17742 8982 1 13 . 1 1 119 119 THR CA C 449 62.117 62.117 62.885 -0.768 17742 8983 1 13 . 1 1 119 119 THR CB C 449 69.861 69.861 69.427 0.434 17742 8984 1 13 . 1 1 119 119 THR H H 449 8.235 8.235 8.308 -0.073 17742 8985 1 13 . 1 1 120 120 ILE N N 450 123.074 123.074 126.808 -3.734 17742 8986 1 13 . 1 1 120 120 ILE HA H 450 4.169 4.169 4.223 -0.054 17742 8987 1 13 . 1 1 120 120 ILE C C 450 175.683 175.683 175.450 0.233 17742 8988 1 13 . 1 1 120 120 ILE CA C 450 60.987 60.987 59.240 1.747 17742 8989 1 13 . 1 1 120 120 ILE CB C 450 38.983 38.983 36.687 2.296 17742 8990 1 13 . 1 1 120 120 ILE H H 450 8.043 8.043 8.443 -0.400 17742 8991 1 13 . 1 1 121 121 ALA N N 451 128.011 128.011 130.424 -2.413 17742 8992 1 13 . 1 1 121 121 ALA HA H 451 4.332 4.332 4.446 -0.114 17742 8993 1 13 . 1 1 121 121 ALA C C 451 177.333 177.333 176.525 0.808 17742 8994 1 13 . 1 1 121 121 ALA CA C 451 52.364 52.364 52.707 -0.343 17742 8995 1 13 . 1 1 121 121 ALA CB C 451 19.534 19.534 19.851 -0.317 17742 8996 1 13 . 1 1 121 121 ALA H H 451 8.277 8.277 8.518 -0.241 17742 8997 1 13 . 1 1 122 122 SER N N 452 116.575 116.575 111.834 4.741 17742 8998 1 13 . 1 1 122 122 SER HA H 452 4.672 4.672 4.585 0.087 17742 8999 1 13 . 1 1 122 122 SER CA C 452 56.230 56.230 56.572 -0.342 17742 9000 1 13 . 1 1 122 122 SER CB C 452 63.460 63.460 63.860 -0.400 17742 9001 1 13 . 1 1 122 122 SER H H 452 8.161 8.161 7.090 1.071 17742 9002 1 13 . 1 1 123 123 PRO HA H 453 4.395 4.395 4.409 -0.014 17742 9003 1 13 . 1 1 123 123 PRO C C 453 176.993 176.993 175.611 1.382 17742 9004 1 13 . 1 1 123 123 PRO CA C 453 63.303 63.303 63.692 -0.389 17742 9005 1 13 . 1 1 123 123 PRO CB C 453 32.149 32.149 30.605 1.544 17742 9006 1 13 . 1 1 124 124 VAL N N 454 119.733 119.733 120.325 -0.592 17742 9007 1 13 . 1 1 124 124 VAL HA H 454 4.010 4.010 4.378 -0.368 17742 9008 1 13 . 1 1 124 124 VAL CA C 454 62.674 62.674 61.962 0.712 17742 9009 1 13 . 1 1 124 124 VAL CB C 454 32.669 32.669 32.763 -0.094 17742 9010 1 13 . 1 1 124 124 VAL H H 454 8.058 8.058 8.174 -0.116 17742 9011 1 13 . 1 1 125 125 GLY N N 455 111.901 111.901 108.461 3.440 17742 9012 1 13 . 1 1 125 125 GLY CA C 455 45.152 45.152 44.705 0.447 17742 9013 1 13 . 1 1 125 125 GLY H H 455 8.255 8.255 7.424 0.831 17742 9014 1 13 . 1 1 126 126 TRP N N 456 122.405 122.405 121.243 1.162 17742 9015 1 13 . 1 1 126 126 TRP HA H 456 4.929 4.929 5.253 -0.324 17742 9016 1 13 . 1 1 126 126 TRP CA C 456 55.029 55.029 52.880 2.149 17742 9017 1 13 . 1 1 126 126 TRP CB C 456 29.383 29.383 28.791 0.592 17742 9018 1 13 . 1 1 126 126 TRP H H 456 7.906 7.906 7.758 0.148 17742 9019 1 13 . 1 1 127 127 PRO HA H 457 4.429 4.429 3.457 0.972 17742 9020 1 13 . 1 1 127 127 PRO C C 457 175.951 175.951 176.175 -0.224 17742 9021 1 13 . 1 1 127 127 PRO CA C 457 63.558 63.558 63.971 -0.413 17742 9022 1 13 . 1 1 127 127 PRO CB C 457 31.932 31.932 31.980 -0.049 17742 9023 1 14 . 1 1 5 5 ARG N N 335 123.607 123.607 118.785 4.822 17742 9024 1 14 . 1 1 5 5 ARG HA H 335 4.382 4.382 4.554 -0.172 17742 9025 1 14 . 1 1 5 5 ARG CA C 335 56.926 56.926 54.736 2.190 17742 9026 1 14 . 1 1 5 5 ARG H H 335 9.161 9.161 8.286 0.875 17742 9027 1 14 . 1 1 6 6 LEU N N 336 122.412 122.412 115.958 6.454 17742 9028 1 14 . 1 1 6 6 LEU CB C 336 42.172 42.172 41.102 1.070 17742 9029 1 14 . 1 1 6 6 LEU H H 336 8.775 8.775 8.487 0.288 17742 9030 1 14 . 1 1 7 7 LEU HA H 337 3.669 3.669 4.301 -0.632 17742 9031 1 14 . 1 1 7 7 LEU CA C 337 59.053 59.053 58.914 0.139 17742 9032 1 14 . 1 1 7 7 LEU CB C 337 40.447 40.447 41.987 -1.540 17742 9033 1 14 . 1 1 8 8 TRP N N 338 114.197 114.197 115.403 -1.206 17742 9034 1 14 . 1 1 8 8 TRP HA H 338 3.747 3.747 4.610 -0.863 17742 9035 1 14 . 1 1 8 8 TRP CA C 338 60.071 60.071 59.049 1.022 17742 9036 1 14 . 1 1 8 8 TRP CB C 338 28.481 28.481 28.509 -0.028 17742 9037 1 14 . 1 1 8 8 TRP H H 338 7.595 7.595 7.429 0.166 17742 9038 1 14 . 1 1 9 9 ASP HA H 339 3.648 3.648 4.644 -0.996 17742 9039 1 14 . 1 1 9 9 ASP C C 339 177.491 177.491 177.779 -0.288 17742 9040 1 14 . 1 1 9 9 ASP CA C 339 56.197 56.197 57.073 -0.876 17742 9041 1 14 . 1 1 9 9 ASP CB C 339 41.702 41.702 40.875 0.827 17742 9042 1 14 . 1 1 10 10 TYR N N 340 120.786 120.786 121.195 -0.409 17742 9043 1 14 . 1 1 10 10 TYR HA H 340 3.851 3.851 4.047 -0.196 17742 9044 1 14 . 1 1 10 10 TYR C C 340 177.016 177.016 177.541 -0.525 17742 9045 1 14 . 1 1 10 10 TYR CA C 340 61.921 61.921 61.545 0.376 17742 9046 1 14 . 1 1 10 10 TYR CB C 340 39.202 39.202 38.629 0.573 17742 9047 1 14 . 1 1 10 10 TYR H H 340 7.929 7.929 7.748 0.181 17742 9048 1 14 . 1 1 11 11 VAL N N 341 114.828 114.828 118.837 -4.009 17742 9049 1 14 . 1 1 11 11 VAL HA H 341 2.982 2.982 3.477 -0.495 17742 9050 1 14 . 1 1 11 11 VAL C C 341 176.795 176.795 176.974 -0.179 17742 9051 1 14 . 1 1 11 11 VAL CA C 341 66.855 66.855 66.140 0.715 17742 9052 1 14 . 1 1 11 11 VAL CB C 341 31.152 31.152 31.904 -0.752 17742 9053 1 14 . 1 1 11 11 VAL H H 341 8.291 8.291 8.543 -0.252 17742 9054 1 14 . 1 1 12 12 TYR N N 342 119.177 119.177 120.039 -0.862 17742 9055 1 14 . 1 1 12 12 TYR HA H 342 3.617 3.617 3.854 -0.237 17742 9056 1 14 . 1 1 12 12 TYR C C 342 178.765 178.765 177.380 1.385 17742 9057 1 14 . 1 1 12 12 TYR CA C 342 62.960 62.960 61.044 1.916 17742 9058 1 14 . 1 1 12 12 TYR CB C 342 38.232 38.232 38.190 0.042 17742 9059 1 14 . 1 1 12 12 TYR H H 342 7.712 7.712 7.743 -0.031 17742 9060 1 14 . 1 1 13 13 GLN N N 343 118.873 118.873 118.393 0.480 17742 9061 1 14 . 1 1 13 13 GLN HA H 343 3.833 3.833 3.906 -0.073 17742 9062 1 14 . 1 1 13 13 GLN C C 343 179.917 179.917 177.993 1.924 17742 9063 1 14 . 1 1 13 13 GLN CA C 343 58.821 58.821 58.302 0.519 17742 9064 1 14 . 1 1 13 13 GLN CB C 343 27.649 27.649 28.594 -0.945 17742 9065 1 14 . 1 1 13 13 GLN H H 343 8.076 8.076 8.169 -0.093 17742 9066 1 14 . 1 1 14 14 LEU N N 344 121.381 121.381 119.362 2.019 17742 9067 1 14 . 1 1 14 14 LEU HA H 344 3.611 3.611 3.837 -0.226 17742 9068 1 14 . 1 1 14 14 LEU C C 344 179.861 179.861 179.043 0.818 17742 9069 1 14 . 1 1 14 14 LEU CA C 344 58.121 58.121 57.105 1.016 17742 9070 1 14 . 1 1 14 14 LEU CB C 344 41.382 41.382 41.769 -0.387 17742 9071 1 14 . 1 1 14 14 LEU H H 344 7.772 7.772 7.505 0.267 17742 9072 1 14 . 1 1 15 15 LEU N N 345 116.801 116.801 116.788 0.013 17742 9073 1 14 . 1 1 15 15 LEU HA H 345 3.513 3.513 3.968 -0.455 17742 9074 1 14 . 1 1 15 15 LEU C C 345 178.221 178.221 177.847 0.374 17742 9075 1 14 . 1 1 15 15 LEU CA C 345 56.568 56.568 56.842 -0.274 17742 9076 1 14 . 1 1 15 15 LEU CB C 345 41.431 41.431 41.288 0.143 17742 9077 1 14 . 1 1 15 15 LEU H H 345 7.546 7.546 7.397 0.149 17742 9078 1 14 . 1 1 16 16 SER N N 346 112.511 112.511 111.308 1.203 17742 9079 1 14 . 1 1 16 16 SER HA H 346 4.542 4.542 4.474 0.068 17742 9080 1 14 . 1 1 16 16 SER C C 346 172.510 172.510 174.048 -1.538 17742 9081 1 14 . 1 1 16 16 SER CA C 346 58.891 58.891 58.459 0.432 17742 9082 1 14 . 1 1 16 16 SER CB C 346 63.993 63.993 63.541 0.452 17742 9083 1 14 . 1 1 16 16 SER H H 346 7.277 7.277 7.241 0.036 17742 9084 1 14 . 1 1 17 17 ASP N N 347 122.234 122.234 121.044 1.190 17742 9085 1 14 . 1 1 17 17 ASP HA H 347 4.969 4.969 4.869 0.100 17742 9086 1 14 . 1 1 17 17 ASP C C 347 175.703 175.703 176.400 -0.697 17742 9087 1 14 . 1 1 17 17 ASP CA C 347 52.761 52.761 53.132 -0.371 17742 9088 1 14 . 1 1 17 17 ASP CB C 347 43.427 43.427 43.664 -0.237 17742 9089 1 14 . 1 1 17 17 ASP H H 347 7.353 7.353 7.638 -0.285 17742 9090 1 14 . 1 1 18 18 SER N N 348 120.139 120.139 121.025 -0.886 17742 9091 1 14 . 1 1 18 18 SER HA H 348 4.371 4.371 4.313 0.058 17742 9092 1 14 . 1 1 18 18 SER C C 348 176.259 176.259 176.082 0.177 17742 9093 1 14 . 1 1 18 18 SER CA C 348 61.131 61.131 60.023 1.107 17742 9094 1 14 . 1 1 18 18 SER CB C 348 63.177 63.177 62.956 0.221 17742 9095 1 14 . 1 1 18 18 SER H H 348 8.691 8.691 8.824 -0.133 17742 9096 1 14 . 1 1 19 19 ARG N N 349 122.716 122.716 123.020 -0.304 17742 9097 1 14 . 1 1 19 19 ARG HA H 349 4.114 4.114 3.847 0.267 17742 9098 1 14 . 1 1 19 19 ARG C C 349 178.154 178.154 178.052 0.102 17742 9099 1 14 . 1 1 19 19 ARG CA C 349 58.531 58.531 58.752 -0.221 17742 9100 1 14 . 1 1 19 19 ARG CB C 349 29.794 29.794 29.604 0.190 17742 9101 1 14 . 1 1 19 19 ARG H H 349 8.586 8.586 8.089 0.497 17742 9102 1 14 . 1 1 20 20 TYR N N 350 116.201 116.201 116.274 -0.073 17742 9103 1 14 . 1 1 20 20 TYR HA H 350 4.883 4.883 4.697 0.186 17742 9104 1 14 . 1 1 20 20 TYR C C 350 177.029 177.029 176.080 0.949 17742 9105 1 14 . 1 1 20 20 TYR CA C 350 58.741 58.741 56.001 2.740 17742 9106 1 14 . 1 1 20 20 TYR CB C 350 37.642 37.642 36.336 1.306 17742 9107 1 14 . 1 1 20 20 TYR H H 350 8.291 8.291 7.279 1.012 17742 9108 1 14 . 1 1 21 21 GLU N N 351 120.803 120.803 120.351 0.452 17742 9109 1 14 . 1 1 21 21 GLU HA H 351 4.466 4.466 4.298 0.168 17742 9110 1 14 . 1 1 21 21 GLU C C 351 176.324 176.324 177.121 -0.797 17742 9111 1 14 . 1 1 21 21 GLU CA C 351 59.132 59.132 58.698 0.434 17742 9112 1 14 . 1 1 21 21 GLU CB C 351 29.864 29.864 28.922 0.943 17742 9113 1 14 . 1 1 21 21 GLU H H 351 7.513 7.513 7.761 -0.248 17742 9114 1 14 . 1 1 22 22 ASN N N 352 114.531 114.531 115.146 -0.615 17742 9115 1 14 . 1 1 22 22 ASN HA H 352 4.492 4.492 4.651 -0.159 17742 9116 1 14 . 1 1 22 22 ASN C C 352 174.497 174.497 175.508 -1.011 17742 9117 1 14 . 1 1 22 22 ASN CA C 352 54.122 54.122 53.710 0.412 17742 9118 1 14 . 1 1 22 22 ASN CB C 352 36.935 36.935 38.972 -2.037 17742 9119 1 14 . 1 1 22 22 ASN H H 352 8.649 8.649 8.375 0.274 17742 9120 1 14 . 1 1 23 23 PHE N N 353 115.501 115.501 116.290 -0.789 17742 9121 1 14 . 1 1 23 23 PHE HA H 353 4.751 4.751 4.549 0.202 17742 9122 1 14 . 1 1 23 23 PHE C C 353 176.442 176.442 175.196 1.246 17742 9123 1 14 . 1 1 23 23 PHE CB C 353 41.502 41.502 41.417 0.085 17742 9124 1 14 . 1 1 23 23 PHE H H 353 8.555 8.555 7.901 0.654 17742 9125 1 14 . 1 1 24 24 ILE N N 354 120.734 120.734 117.720 3.014 17742 9126 1 14 . 1 1 24 24 ILE HA H 354 5.059 5.059 4.977 0.082 17742 9127 1 14 . 1 1 24 24 ILE C C 354 179.332 179.332 173.093 6.239 17742 9128 1 14 . 1 1 24 24 ILE CA C 354 59.831 59.831 60.385 -0.554 17742 9129 1 14 . 1 1 24 24 ILE CB C 354 40.623 40.623 41.873 -1.250 17742 9130 1 14 . 1 1 24 24 ILE H H 354 8.428 8.428 8.808 -0.380 17742 9131 1 14 . 1 1 25 25 ARG N N 355 121.187 121.187 123.370 -2.183 17742 9132 1 14 . 1 1 25 25 ARG HA H 355 4.904 4.904 4.853 0.051 17742 9133 1 14 . 1 1 25 25 ARG C C 355 175.152 175.152 174.186 0.966 17742 9134 1 14 . 1 1 25 25 ARG CA C 355 54.529 54.529 54.346 0.182 17742 9135 1 14 . 1 1 25 25 ARG CB C 355 33.599 33.599 33.576 0.023 17742 9136 1 14 . 1 1 25 25 ARG H H 355 8.671 8.671 8.883 -0.212 17742 9137 1 14 . 1 1 26 26 TRP N N 356 122.024 122.024 122.475 -0.451 17742 9138 1 14 . 1 1 26 26 TRP HA H 356 4.884 4.884 4.698 0.186 17742 9139 1 14 . 1 1 26 26 TRP C C 356 176.642 176.642 176.559 0.083 17742 9140 1 14 . 1 1 26 26 TRP CA C 356 57.960 57.960 58.201 -0.241 17742 9141 1 14 . 1 1 26 26 TRP CB C 356 30.634 30.634 29.274 1.360 17742 9142 1 14 . 1 1 26 26 TRP H H 356 9.159 9.159 8.927 0.233 17742 9143 1 14 . 1 1 27 27 GLU N N 357 125.331 125.331 125.057 0.274 17742 9144 1 14 . 1 1 27 27 GLU HA H 357 4.681 4.681 4.458 0.223 17742 9145 1 14 . 1 1 27 27 GLU C C 357 176.775 176.775 176.436 0.339 17742 9146 1 14 . 1 1 27 27 GLU CA C 357 56.990 56.990 57.419 -0.429 17742 9147 1 14 . 1 1 27 27 GLU CB C 357 31.579 31.579 31.719 -0.140 17742 9148 1 14 . 1 1 27 27 GLU H H 357 9.504 9.504 8.720 0.784 17742 9149 1 14 . 1 1 28 28 ASP N N 358 116.213 116.213 117.980 -1.767 17742 9150 1 14 . 1 1 28 28 ASP HA H 358 4.771 4.771 4.875 -0.104 17742 9151 1 14 . 1 1 28 28 ASP C C 358 176.167 176.167 175.400 0.767 17742 9152 1 14 . 1 1 28 28 ASP CA C 358 53.541 53.541 53.725 -0.184 17742 9153 1 14 . 1 1 28 28 ASP CB C 358 41.932 41.932 41.808 0.124 17742 9154 1 14 . 1 1 28 28 ASP H H 358 7.846 7.846 8.449 -0.603 17742 9155 1 14 . 1 1 29 29 LYS N N 359 127.762 127.762 125.253 2.509 17742 9156 1 14 . 1 1 29 29 LYS HA H 359 3.157 3.157 3.447 -0.290 17742 9157 1 14 . 1 1 29 29 LYS C C 359 178.776 178.776 177.813 0.963 17742 9158 1 14 . 1 1 29 29 LYS CA C 359 60.229 60.229 58.789 1.440 17742 9159 1 14 . 1 1 29 29 LYS CB C 359 32.734 32.734 32.337 0.397 17742 9160 1 14 . 1 1 29 29 LYS H H 359 9.216 9.216 8.727 0.489 17742 9161 1 14 . 1 1 30 30 GLU N N 360 119.601 119.601 118.073 1.528 17742 9162 1 14 . 1 1 30 30 GLU HA H 360 3.925 3.925 4.112 -0.187 17742 9163 1 14 . 1 1 30 30 GLU C C 360 178.684 178.684 177.608 1.076 17742 9164 1 14 . 1 1 30 30 GLU CA C 360 59.570 59.570 58.426 1.144 17742 9165 1 14 . 1 1 30 30 GLU CB C 360 29.177 29.177 29.973 -0.795 17742 9166 1 14 . 1 1 30 30 GLU H H 360 8.340 8.340 7.830 0.510 17742 9167 1 14 . 1 1 31 31 SER N N 361 113.301 113.301 112.721 0.580 17742 9168 1 14 . 1 1 31 31 SER HA H 361 4.494 4.494 4.467 0.027 17742 9169 1 14 . 1 1 31 31 SER C C 361 172.357 172.357 175.241 -2.884 17742 9170 1 14 . 1 1 31 31 SER CA C 361 58.807 58.807 59.068 -0.261 17742 9171 1 14 . 1 1 31 31 SER CB C 361 63.768 63.768 64.206 -0.438 17742 9172 1 14 . 1 1 31 31 SER H H 361 7.463 7.463 8.275 -0.812 17742 9173 1 14 . 1 1 32 32 LYS N N 362 115.170 115.170 115.379 -0.209 17742 9174 1 14 . 1 1 32 32 LYS HA H 362 3.910 3.910 4.235 -0.325 17742 9175 1 14 . 1 1 32 32 LYS C C 362 175.500 175.500 175.009 0.491 17742 9176 1 14 . 1 1 32 32 LYS CA C 362 57.630 57.630 57.266 0.364 17742 9177 1 14 . 1 1 32 32 LYS CB C 362 29.801 29.801 30.233 -0.432 17742 9178 1 14 . 1 1 32 32 LYS H H 362 7.752 7.752 7.742 0.011 17742 9179 1 14 . 1 1 33 33 ILE N N 363 118.274 118.274 120.834 -2.560 17742 9180 1 14 . 1 1 33 33 ILE HA H 363 5.375 5.375 5.020 0.355 17742 9181 1 14 . 1 1 33 33 ILE C C 363 177.068 177.068 175.889 1.179 17742 9182 1 14 . 1 1 33 33 ILE CA C 363 60.428 60.428 59.692 0.736 17742 9183 1 14 . 1 1 33 33 ILE CB C 363 40.206 40.206 37.385 2.821 17742 9184 1 14 . 1 1 33 33 ILE H H 363 8.262 8.262 8.276 -0.014 17742 9185 1 14 . 1 1 34 34 PHE N N 364 128.285 128.285 126.509 1.776 17742 9186 1 14 . 1 1 34 34 PHE HA H 364 5.566 5.566 5.311 0.255 17742 9187 1 14 . 1 1 34 34 PHE C C 364 179.560 179.560 172.969 6.591 17742 9188 1 14 . 1 1 34 34 PHE CA C 364 55.080 55.080 55.308 -0.228 17742 9189 1 14 . 1 1 34 34 PHE CB C 364 44.097 44.097 42.677 1.420 17742 9190 1 14 . 1 1 34 34 PHE H H 364 9.936 9.936 9.320 0.616 17742 9191 1 14 . 1 1 35 35 ARG N N 365 120.953 120.953 123.465 -2.512 17742 9192 1 14 . 1 1 35 35 ARG HA H 365 5.484 5.484 4.598 0.886 17742 9193 1 14 . 1 1 35 35 ARG C C 365 176.522 176.522 174.531 1.991 17742 9194 1 14 . 1 1 35 35 ARG CA C 365 53.584 53.584 53.582 0.002 17742 9195 1 14 . 1 1 35 35 ARG CB C 365 36.439 36.439 33.724 2.715 17742 9196 1 14 . 1 1 35 35 ARG H H 365 9.430 9.430 9.100 0.330 17742 9197 1 14 . 1 1 36 36 ILE N N 366 125.455 125.455 127.942 -2.487 17742 9198 1 14 . 1 1 36 36 ILE HA H 366 4.201 4.201 3.947 0.254 17742 9199 1 14 . 1 1 36 36 ILE C C 366 173.923 173.923 174.704 -0.781 17742 9200 1 14 . 1 1 36 36 ILE CA C 366 63.110 63.110 62.527 0.583 17742 9201 1 14 . 1 1 36 36 ILE CB C 366 37.964 37.964 37.427 0.537 17742 9202 1 14 . 1 1 36 36 ILE H H 366 8.639 8.639 7.998 0.641 17742 9203 1 14 . 1 1 37 37 VAL N N 367 129.251 129.251 127.442 1.809 17742 9204 1 14 . 1 1 37 37 VAL HA H 367 3.674 3.674 3.895 -0.221 17742 9205 1 14 . 1 1 37 37 VAL C C 367 175.948 175.948 176.173 -0.225 17742 9206 1 14 . 1 1 37 37 VAL CA C 367 64.171 64.171 64.185 -0.014 17742 9207 1 14 . 1 1 37 37 VAL CB C 367 32.870 32.870 32.577 0.293 17742 9208 1 14 . 1 1 37 37 VAL H H 367 7.839 7.839 8.253 -0.414 17742 9209 1 14 . 1 1 38 38 ASP N N 368 114.991 114.991 120.243 -5.252 17742 9210 1 14 . 1 1 38 38 ASP HA H 368 5.213 5.213 5.071 0.142 17742 9211 1 14 . 1 1 38 38 ASP CA C 368 50.242 50.242 50.729 -0.487 17742 9212 1 14 . 1 1 38 38 ASP CB C 368 42.169 42.169 41.667 0.502 17742 9213 1 14 . 1 1 38 38 ASP H H 368 7.279 7.279 8.103 -0.824 17742 9214 1 14 . 1 1 39 39 PRO HA H 369 3.794 3.794 4.341 -0.547 17742 9215 1 14 . 1 1 39 39 PRO C C 369 178.037 178.037 178.415 -0.378 17742 9216 1 14 . 1 1 39 39 PRO CA C 369 65.619 65.619 65.691 -0.072 17742 9217 1 14 . 1 1 39 39 PRO CB C 369 31.057 31.057 31.901 -0.845 17742 9218 1 14 . 1 1 40 40 ASN N N 370 115.439 115.439 116.648 -1.209 17742 9219 1 14 . 1 1 40 40 ASN HA H 370 4.596 4.596 4.637 -0.041 17742 9220 1 14 . 1 1 40 40 ASN C C 370 178.570 178.570 177.786 0.784 17742 9221 1 14 . 1 1 40 40 ASN CA C 370 56.501 56.501 56.471 0.030 17742 9222 1 14 . 1 1 40 40 ASN CB C 370 38.012 38.012 37.973 0.039 17742 9223 1 14 . 1 1 40 40 ASN H H 370 8.121 8.121 8.395 -0.274 17742 9224 1 14 . 1 1 41 41 GLY N N 371 111.317 111.317 107.759 3.558 17742 9225 1 14 . 1 1 41 41 GLY C C 371 176.090 176.090 176.716 -0.626 17742 9226 1 14 . 1 1 41 41 GLY CA C 371 47.932 47.932 46.940 0.992 17742 9227 1 14 . 1 1 41 41 GLY H H 371 8.622 8.622 7.753 0.869 17742 9228 1 14 . 1 1 42 42 LEU N N 372 122.892 122.892 123.630 -0.738 17742 9229 1 14 . 1 1 42 42 LEU HA H 372 4.031 4.031 4.317 -0.286 17742 9230 1 14 . 1 1 42 42 LEU C C 372 177.766 177.766 178.833 -1.067 17742 9231 1 14 . 1 1 42 42 LEU CA C 372 57.830 57.830 57.779 0.051 17742 9232 1 14 . 1 1 42 42 LEU CB C 372 42.132 42.132 41.325 0.807 17742 9233 1 14 . 1 1 42 42 LEU H H 372 8.881 8.881 8.620 0.261 17742 9234 1 14 . 1 1 43 43 ALA N N 373 120.112 120.112 121.717 -1.605 17742 9235 1 14 . 1 1 43 43 ALA HA H 373 4.458 4.458 4.186 0.272 17742 9236 1 14 . 1 1 43 43 ALA C C 373 179.093 179.093 180.166 -1.073 17742 9237 1 14 . 1 1 43 43 ALA CA C 373 55.451 55.451 55.126 0.325 17742 9238 1 14 . 1 1 43 43 ALA CB C 373 18.324 18.324 18.530 -0.206 17742 9239 1 14 . 1 1 43 43 ALA H H 373 8.072 8.072 8.600 -0.528 17742 9240 1 14 . 1 1 44 44 ARG N N 374 117.916 117.916 118.667 -0.751 17742 9241 1 14 . 1 1 44 44 ARG HA H 374 4.093 4.093 4.134 -0.041 17742 9242 1 14 . 1 1 44 44 ARG C C 374 179.473 179.473 179.098 0.375 17742 9243 1 14 . 1 1 44 44 ARG CA C 374 59.372 59.372 58.944 0.428 17742 9244 1 14 . 1 1 44 44 ARG CB C 374 30.114 30.114 29.964 0.150 17742 9245 1 14 . 1 1 44 44 ARG H H 374 7.769 7.769 8.158 -0.389 17742 9246 1 14 . 1 1 45 45 LEU N N 375 121.489 121.489 120.499 0.990 17742 9247 1 14 . 1 1 45 45 LEU HA H 375 4.007 4.007 4.101 -0.094 17742 9248 1 14 . 1 1 45 45 LEU C C 375 180.049 180.049 179.280 0.769 17742 9249 1 14 . 1 1 45 45 LEU CA C 375 58.390 58.390 58.190 0.201 17742 9250 1 14 . 1 1 45 45 LEU CB C 375 41.552 41.552 41.710 -0.158 17742 9251 1 14 . 1 1 45 45 LEU H H 375 7.903 7.903 8.414 -0.511 17742 9252 1 14 . 1 1 46 46 TRP N N 376 121.466 121.466 121.317 0.149 17742 9253 1 14 . 1 1 46 46 TRP HA H 376 4.089 4.089 3.780 0.309 17742 9254 1 14 . 1 1 46 46 TRP C C 376 177.939 177.939 178.466 -0.527 17742 9255 1 14 . 1 1 46 46 TRP CA C 376 60.022 60.022 60.956 -0.934 17742 9256 1 14 . 1 1 46 46 TRP CB C 376 28.817 28.817 29.050 -0.233 17742 9257 1 14 . 1 1 46 46 TRP H H 376 8.633 8.633 8.930 -0.297 17742 9258 1 14 . 1 1 47 47 GLY N N 377 105.142 105.142 106.471 -1.329 17742 9259 1 14 . 1 1 47 47 GLY C C 377 176.128 176.128 175.717 0.411 17742 9260 1 14 . 1 1 47 47 GLY CA C 377 48.035 48.035 46.989 1.046 17742 9261 1 14 . 1 1 47 47 GLY H H 377 8.828 8.828 8.864 -0.036 17742 9262 1 14 . 1 1 48 48 ASN N N 378 120.327 120.327 121.849 -1.522 17742 9263 1 14 . 1 1 48 48 ASN HA H 378 4.402 4.402 4.282 0.120 17742 9264 1 14 . 1 1 48 48 ASN C C 378 178.625 178.625 177.686 0.939 17742 9265 1 14 . 1 1 48 48 ASN CA C 378 56.231 56.231 56.355 -0.124 17742 9266 1 14 . 1 1 48 48 ASN CB C 378 38.132 38.132 38.410 -0.279 17742 9267 1 14 . 1 1 48 48 ASN H H 378 8.212 8.212 8.202 0.010 17742 9268 1 14 . 1 1 49 49 HIS N N 379 121.871 121.871 119.925 1.946 17742 9269 1 14 . 1 1 49 49 HIS HA H 379 4.205 4.205 4.262 -0.057 17742 9270 1 14 . 1 1 49 49 HIS C C 379 176.086 176.086 176.481 -0.395 17742 9271 1 14 . 1 1 49 49 HIS CA C 379 59.390 59.390 58.422 0.968 17742 9272 1 14 . 1 1 49 49 HIS CB C 379 29.564 29.564 29.567 -0.003 17742 9273 1 14 . 1 1 49 49 HIS H H 379 8.094 8.094 7.623 0.471 17742 9274 1 14 . 1 1 50 50 LYS N N 380 115.181 115.181 116.694 -1.513 17742 9275 1 14 . 1 1 50 50 LYS HA H 380 3.911 3.911 4.151 -0.240 17742 9276 1 14 . 1 1 50 50 LYS C C 380 175.348 175.348 175.055 0.293 17742 9277 1 14 . 1 1 50 50 LYS CA C 380 53.632 53.632 54.520 -0.888 17742 9278 1 14 . 1 1 50 50 LYS CB C 380 30.742 30.742 30.595 0.147 17742 9279 1 14 . 1 1 50 50 LYS H H 380 7.482 7.482 7.411 0.071 17742 9280 1 14 . 1 1 51 51 ASN N N 381 116.362 116.362 113.278 3.084 17742 9281 1 14 . 1 1 51 51 ASN HA H 381 4.259 4.259 4.102 0.157 17742 9282 1 14 . 1 1 51 51 ASN C C 381 174.400 174.400 174.264 0.136 17742 9283 1 14 . 1 1 51 51 ASN CA C 381 54.312 54.312 54.340 -0.028 17742 9284 1 14 . 1 1 51 51 ASN CB C 381 37.272 37.272 36.721 0.551 17742 9285 1 14 . 1 1 51 51 ASN H H 381 7.753 7.753 7.616 0.137 17742 9286 1 14 . 1 1 52 52 ARG N N 382 117.723 117.723 119.214 -1.491 17742 9287 1 14 . 1 1 52 52 ARG HA H 382 4.658 4.658 4.615 0.043 17742 9288 1 14 . 1 1 52 52 ARG C C 382 176.209 176.209 175.583 0.626 17742 9289 1 14 . 1 1 52 52 ARG CA C 382 53.668 53.668 54.332 -0.664 17742 9290 1 14 . 1 1 52 52 ARG CB C 382 32.212 32.212 32.314 -0.102 17742 9291 1 14 . 1 1 52 52 ARG H H 382 8.476 8.476 8.154 0.322 17742 9292 1 14 . 1 1 53 53 THR N N 383 114.109 114.109 112.728 1.381 17742 9293 1 14 . 1 1 53 53 THR HA H 383 4.221 4.221 4.353 -0.132 17742 9294 1 14 . 1 1 53 53 THR C C 383 174.644 174.644 174.774 -0.130 17742 9295 1 14 . 1 1 53 53 THR CA C 383 62.187 62.187 62.801 -0.614 17742 9296 1 14 . 1 1 53 53 THR CB C 383 69.710 69.710 69.585 0.125 17742 9297 1 14 . 1 1 53 53 THR H H 383 8.333 8.333 8.494 -0.161 17742 9298 1 14 . 1 1 54 54 ASN N N 384 118.768 118.768 120.334 -1.566 17742 9299 1 14 . 1 1 54 54 ASN HA H 384 4.609 4.609 4.832 -0.223 17742 9300 1 14 . 1 1 54 54 ASN C C 384 174.975 174.975 173.972 1.003 17742 9301 1 14 . 1 1 54 54 ASN CA C 384 53.193 53.193 52.650 0.543 17742 9302 1 14 . 1 1 54 54 ASN CB C 384 37.632 37.632 36.844 0.788 17742 9303 1 14 . 1 1 54 54 ASN H H 384 8.521 8.521 8.402 0.119 17742 9304 1 14 . 1 1 55 55 MET N N 385 119.621 119.621 120.249 -0.628 17742 9305 1 14 . 1 1 55 55 MET HA H 385 4.566 4.566 4.818 -0.252 17742 9306 1 14 . 1 1 55 55 MET C C 385 175.078 175.078 174.815 0.263 17742 9307 1 14 . 1 1 55 55 MET CA C 385 55.298 55.298 55.280 0.018 17742 9308 1 14 . 1 1 55 55 MET CB C 385 31.244 31.244 35.619 -4.375 17742 9309 1 14 . 1 1 55 55 MET H H 385 8.162 8.162 7.773 0.389 17742 9310 1 14 . 1 1 56 56 THR N N 386 113.114 113.114 117.885 -4.771 17742 9311 1 14 . 1 1 56 56 THR HA H 386 4.824 4.824 4.981 -0.157 17742 9312 1 14 . 1 1 56 56 THR C C 386 175.549 175.549 174.240 1.309 17742 9313 1 14 . 1 1 56 56 THR CA C 386 59.060 59.060 60.104 -1.044 17742 9314 1 14 . 1 1 56 56 THR CB C 386 72.290 72.290 71.790 0.500 17742 9315 1 14 . 1 1 56 56 THR H H 386 7.031 7.031 8.057 -1.026 17742 9316 1 14 . 1 1 57 57 TYR N N 387 123.401 123.401 125.770 -2.369 17742 9317 1 14 . 1 1 57 57 TYR HA H 387 4.134 4.134 4.132 0.002 17742 9318 1 14 . 1 1 57 57 TYR C C 387 177.304 177.304 177.361 -0.057 17742 9319 1 14 . 1 1 57 57 TYR CA C 387 62.300 62.300 63.417 -1.117 17742 9320 1 14 . 1 1 57 57 TYR CB C 387 37.359 37.359 38.579 -1.220 17742 9321 1 14 . 1 1 57 57 TYR H H 387 9.691 9.691 9.323 0.368 17742 9322 1 14 . 1 1 58 58 GLU N N 388 120.999 120.999 117.864 3.135 17742 9323 1 14 . 1 1 58 58 GLU HA H 388 3.823 3.823 4.109 -0.286 17742 9324 1 14 . 1 1 58 58 GLU C C 388 179.213 179.213 179.239 -0.026 17742 9325 1 14 . 1 1 58 58 GLU CA C 388 60.477 60.477 59.886 0.591 17742 9326 1 14 . 1 1 58 58 GLU CB C 388 28.895 28.895 29.102 -0.207 17742 9327 1 14 . 1 1 58 58 GLU H H 388 8.838 8.838 9.198 -0.360 17742 9328 1 14 . 1 1 59 59 LYS N N 389 118.962 118.962 117.980 0.982 17742 9329 1 14 . 1 1 59 59 LYS HA H 389 3.939 3.939 4.210 -0.271 17742 9330 1 14 . 1 1 59 59 LYS C C 389 178.797 178.797 178.142 0.655 17742 9331 1 14 . 1 1 59 59 LYS CA C 389 60.065 60.065 58.536 1.529 17742 9332 1 14 . 1 1 59 59 LYS CB C 389 33.378 33.378 32.733 0.645 17742 9333 1 14 . 1 1 59 59 LYS H H 389 7.506 7.506 7.953 -0.447 17742 9334 1 14 . 1 1 60 60 MET N N 390 120.087 120.087 119.384 0.703 17742 9335 1 14 . 1 1 60 60 MET HA H 390 3.869 3.869 4.403 -0.534 17742 9336 1 14 . 1 1 60 60 MET C C 390 178.146 178.146 177.504 0.642 17742 9337 1 14 . 1 1 60 60 MET CA C 390 59.776 59.776 58.080 1.696 17742 9338 1 14 . 1 1 60 60 MET CB C 390 33.462 33.462 33.715 -0.252 17742 9339 1 14 . 1 1 60 60 MET H H 390 8.051 8.051 7.987 0.064 17742 9340 1 14 . 1 1 61 61 SER N N 391 114.537 114.537 115.697 -1.160 17742 9341 1 14 . 1 1 61 61 SER HA H 391 3.786 3.786 3.859 -0.073 17742 9342 1 14 . 1 1 61 61 SER C C 391 176.380 176.380 176.056 0.324 17742 9343 1 14 . 1 1 61 61 SER CA C 391 61.600 61.600 61.205 0.395 17742 9344 1 14 . 1 1 61 61 SER CB C 391 62.251 62.251 62.476 -0.225 17742 9345 1 14 . 1 1 61 61 SER H H 391 8.853 8.853 8.695 0.158 17742 9346 1 14 . 1 1 62 62 ARG N N 392 122.214 122.214 121.658 0.556 17742 9347 1 14 . 1 1 62 62 ARG HA H 392 3.928 3.928 4.038 -0.110 17742 9348 1 14 . 1 1 62 62 ARG C C 392 178.732 178.732 178.215 0.517 17742 9349 1 14 . 1 1 62 62 ARG CA C 392 59.490 59.490 58.718 0.772 17742 9350 1 14 . 1 1 62 62 ARG CB C 392 30.207 30.207 29.487 0.720 17742 9351 1 14 . 1 1 62 62 ARG H H 392 7.471 7.471 7.659 -0.188 17742 9352 1 14 . 1 1 63 63 ALA N N 393 121.091 121.091 120.857 0.234 17742 9353 1 14 . 1 1 63 63 ALA HA H 393 4.162 4.162 4.234 -0.072 17742 9354 1 14 . 1 1 63 63 ALA C C 393 179.699 179.699 179.426 0.273 17742 9355 1 14 . 1 1 63 63 ALA CA C 393 54.722 54.722 54.350 0.372 17742 9356 1 14 . 1 1 63 63 ALA CB C 393 18.154 18.154 18.350 -0.196 17742 9357 1 14 . 1 1 63 63 ALA H H 393 7.376 7.376 7.482 -0.106 17742 9358 1 14 . 1 1 64 64 LEU N N 394 117.568 117.568 118.863 -1.295 17742 9359 1 14 . 1 1 64 64 LEU HA H 394 3.777 3.777 3.049 0.728 17742 9360 1 14 . 1 1 64 64 LEU C C 394 178.085 178.085 178.128 -0.043 17742 9361 1 14 . 1 1 64 64 LEU CA C 394 58.075 58.075 56.517 1.558 17742 9362 1 14 . 1 1 64 64 LEU CB C 394 41.052 41.052 41.207 -0.155 17742 9363 1 14 . 1 1 64 64 LEU H H 394 7.853 7.853 6.943 0.910 17742 9364 1 14 . 1 1 65 65 ARG N N 395 116.111 116.111 118.293 -2.182 17742 9365 1 14 . 1 1 65 65 ARG HA H 395 3.529 3.529 3.699 -0.170 17742 9366 1 14 . 1 1 65 65 ARG C C 395 179.519 179.519 178.457 1.062 17742 9367 1 14 . 1 1 65 65 ARG CA C 395 59.133 59.133 58.434 0.699 17742 9368 1 14 . 1 1 65 65 ARG CB C 395 30.004 30.004 29.391 0.613 17742 9369 1 14 . 1 1 65 65 ARG H H 395 7.521 7.521 8.241 -0.720 17742 9370 1 14 . 1 1 66 66 HIS N N 396 118.081 118.081 117.083 0.998 17742 9371 1 14 . 1 1 66 66 HIS HA H 396 4.436 4.436 4.461 -0.025 17742 9372 1 14 . 1 1 66 66 HIS C C 396 177.826 177.826 177.715 0.111 17742 9373 1 14 . 1 1 66 66 HIS CA C 396 59.063 59.063 59.749 -0.686 17742 9374 1 14 . 1 1 66 66 HIS CB C 396 30.154 30.154 30.166 -0.012 17742 9375 1 14 . 1 1 66 66 HIS H H 396 7.241 7.241 7.622 -0.381 17742 9376 1 14 . 1 1 67 67 TYR N N 397 116.301 116.301 119.500 -3.199 17742 9377 1 14 . 1 1 67 67 TYR HA H 397 4.128 4.128 4.288 -0.160 17742 9378 1 14 . 1 1 67 67 TYR C C 397 179.075 179.075 178.088 0.987 17742 9379 1 14 . 1 1 67 67 TYR CA C 397 61.525 61.525 58.999 2.526 17742 9380 1 14 . 1 1 67 67 TYR CB C 397 37.522 37.522 36.699 0.823 17742 9381 1 14 . 1 1 67 67 TYR H H 397 7.532 7.532 7.872 -0.340 17742 9382 1 14 . 1 1 68 68 TYR N N 398 121.389 121.389 117.991 3.398 17742 9383 1 14 . 1 1 68 68 TYR HA H 398 5.474 5.474 4.782 0.692 17742 9384 1 14 . 1 1 68 68 TYR C C 398 172.285 172.285 178.173 -5.888 17742 9385 1 14 . 1 1 68 68 TYR CA C 398 57.651 57.651 59.001 -1.350 17742 9386 1 14 . 1 1 68 68 TYR CB C 398 37.055 37.055 37.443 -0.388 17742 9387 1 14 . 1 1 68 68 TYR H H 398 8.061 8.061 7.539 0.522 17742 9388 1 14 . 1 1 69 69 LYS N N 399 121.098 121.098 118.210 2.888 17742 9389 1 14 . 1 1 69 69 LYS HA H 399 4.125 4.125 4.256 -0.131 17742 9390 1 14 . 1 1 69 69 LYS C C 399 178.122 178.122 178.026 0.096 17742 9391 1 14 . 1 1 69 69 LYS CA C 399 58.801 58.801 57.261 1.540 17742 9392 1 14 . 1 1 69 69 LYS CB C 399 32.242 32.242 32.199 0.043 17742 9393 1 14 . 1 1 69 69 LYS H H 399 7.799 7.799 7.671 0.128 17742 9394 1 14 . 1 1 70 70 LEU N N 400 116.117 116.117 118.472 -2.355 17742 9395 1 14 . 1 1 70 70 LEU HA H 400 4.312 4.312 4.366 -0.054 17742 9396 1 14 . 1 1 70 70 LEU C C 400 175.903 175.903 176.106 -0.203 17742 9397 1 14 . 1 1 70 70 LEU CA C 400 54.642 54.642 54.612 0.030 17742 9398 1 14 . 1 1 70 70 LEU CB C 400 42.796 42.796 40.949 1.847 17742 9399 1 14 . 1 1 70 70 LEU H H 400 7.257 7.257 8.131 -0.874 17742 9400 1 14 . 1 1 71 71 ASN N N 401 115.181 115.181 112.466 2.715 17742 9401 1 14 . 1 1 71 71 ASN HA H 401 4.368 4.368 4.464 -0.096 17742 9402 1 14 . 1 1 71 71 ASN C C 401 173.597 173.597 175.884 -2.287 17742 9403 1 14 . 1 1 71 71 ASN CA C 401 54.622 54.622 54.269 0.353 17742 9404 1 14 . 1 1 71 71 ASN CB C 401 37.252 37.252 36.121 1.131 17742 9405 1 14 . 1 1 71 71 ASN H H 401 8.061 8.061 7.712 0.349 17742 9406 1 14 . 1 1 72 72 ILE N N 402 114.031 114.031 117.333 -3.302 17742 9407 1 14 . 1 1 72 72 ILE HA H 402 4.128 4.128 4.023 0.105 17742 9408 1 14 . 1 1 72 72 ILE C C 402 176.467 176.467 175.420 1.047 17742 9409 1 14 . 1 1 72 72 ILE CA C 402 63.720 63.720 64.107 -0.387 17742 9410 1 14 . 1 1 72 72 ILE CB C 402 40.491 40.491 39.232 1.259 17742 9411 1 14 . 1 1 72 72 ILE H H 402 8.104 8.104 8.407 -0.303 17742 9412 1 14 . 1 1 73 73 ILE N N 403 116.973 116.973 117.148 -0.175 17742 9413 1 14 . 1 1 73 73 ILE HA H 403 5.014 5.014 5.432 -0.418 17742 9414 1 14 . 1 1 73 73 ILE C C 403 174.039 174.039 174.068 -0.029 17742 9415 1 14 . 1 1 73 73 ILE CA C 403 59.357 59.357 59.420 -0.063 17742 9416 1 14 . 1 1 73 73 ILE CB C 403 43.362 43.362 42.006 1.356 17742 9417 1 14 . 1 1 73 73 ILE H H 403 7.099 7.099 7.585 -0.485 17742 9418 1 14 . 1 1 74 74 ARG N N 404 123.639 123.639 124.512 -0.873 17742 9419 1 14 . 1 1 74 74 ARG HA H 404 4.771 4.771 4.728 0.043 17742 9420 1 14 . 1 1 74 74 ARG C C 404 174.917 174.917 174.069 0.848 17742 9421 1 14 . 1 1 74 74 ARG CA C 404 54.261 54.261 54.161 0.100 17742 9422 1 14 . 1 1 74 74 ARG CB C 404 34.689 34.689 33.432 1.257 17742 9423 1 14 . 1 1 74 74 ARG H H 404 8.983 8.983 8.448 0.535 17742 9424 1 14 . 1 1 75 75 LYS N N 405 125.665 125.665 121.461 4.204 17742 9425 1 14 . 1 1 75 75 LYS HA H 405 4.071 4.071 4.689 -0.618 17742 9426 1 14 . 1 1 75 75 LYS C C 405 176.525 176.525 176.265 0.260 17742 9427 1 14 . 1 1 75 75 LYS CA C 405 56.470 56.470 55.852 0.618 17742 9428 1 14 . 1 1 75 75 LYS CB C 405 32.649 32.649 33.142 -0.493 17742 9429 1 14 . 1 1 75 75 LYS H H 405 8.263 8.263 8.344 -0.081 17742 9430 1 14 . 1 1 76 76 GLU N N 406 128.072 128.072 124.667 3.405 17742 9431 1 14 . 1 1 76 76 GLU HA H 406 4.432 4.432 4.350 0.082 17742 9432 1 14 . 1 1 76 76 GLU CA C 406 53.747 53.747 54.252 -0.505 17742 9433 1 14 . 1 1 76 76 GLU CB C 406 29.914 29.914 29.316 0.598 17742 9434 1 14 . 1 1 76 76 GLU H H 406 8.024 8.024 8.755 -0.731 17742 9435 1 14 . 1 1 77 77 PRO HA H 407 4.282 4.282 4.226 0.056 17742 9436 1 14 . 1 1 77 77 PRO C C 407 177.719 177.719 177.117 0.602 17742 9437 1 14 . 1 1 77 77 PRO CA C 407 63.407 63.407 63.856 -0.449 17742 9438 1 14 . 1 1 77 77 PRO CB C 407 32.184 32.184 30.935 1.249 17742 9439 1 14 . 1 1 78 78 GLY N N 408 109.716 109.716 113.310 -3.594 17742 9440 1 14 . 1 1 78 78 GLY C C 408 174.053 174.053 174.038 0.015 17742 9441 1 14 . 1 1 78 78 GLY CA C 408 45.519 45.519 44.738 0.781 17742 9442 1 14 . 1 1 78 78 GLY H H 408 8.531 8.531 8.505 0.026 17742 9443 1 14 . 1 1 79 79 GLN N N 409 116.964 116.964 119.698 -2.734 17742 9444 1 14 . 1 1 79 79 GLN HA H 409 4.488 4.488 4.608 -0.120 17742 9445 1 14 . 1 1 79 79 GLN C C 409 175.390 175.390 175.625 -0.235 17742 9446 1 14 . 1 1 79 79 GLN CA C 409 54.359 54.359 54.858 -0.498 17742 9447 1 14 . 1 1 79 79 GLN CB C 409 31.202 31.202 30.396 0.806 17742 9448 1 14 . 1 1 79 79 GLN H H 409 7.559 7.559 7.695 -0.136 17742 9449 1 14 . 1 1 80 80 ARG N N 410 120.457 120.457 122.346 -1.889 17742 9450 1 14 . 1 1 80 80 ARG HA H 410 4.262 4.262 4.151 0.111 17742 9451 1 14 . 1 1 80 80 ARG C C 410 176.270 176.270 177.133 -0.863 17742 9452 1 14 . 1 1 80 80 ARG CA C 410 56.821 56.821 57.065 -0.244 17742 9453 1 14 . 1 1 80 80 ARG CB C 410 31.502 31.502 29.408 2.094 17742 9454 1 14 . 1 1 80 80 ARG H H 410 8.251 8.251 8.576 -0.325 17742 9455 1 14 . 1 1 81 81 LEU N N 411 119.348 119.348 120.128 -0.780 17742 9456 1 14 . 1 1 81 81 LEU HA H 411 4.023 4.023 4.476 -0.453 17742 9457 1 14 . 1 1 81 81 LEU C C 411 173.279 173.279 175.374 -2.095 17742 9458 1 14 . 1 1 81 81 LEU CA C 411 55.030 55.030 53.609 1.421 17742 9459 1 14 . 1 1 81 81 LEU CB C 411 40.335 40.335 41.150 -0.815 17742 9460 1 14 . 1 1 81 81 LEU H H 411 8.435 8.435 8.148 0.287 17742 9461 1 14 . 1 1 82 82 LEU N N 412 119.070 119.070 121.759 -2.689 17742 9462 1 14 . 1 1 82 82 LEU HA H 412 5.013 5.013 4.295 0.718 17742 9463 1 14 . 1 1 82 82 LEU C C 412 175.361 175.361 175.699 -0.338 17742 9464 1 14 . 1 1 82 82 LEU CA C 412 53.212 53.212 54.176 -0.964 17742 9465 1 14 . 1 1 82 82 LEU CB C 412 45.471 45.471 41.292 4.179 17742 9466 1 14 . 1 1 82 82 LEU H H 412 6.751 6.751 7.475 -0.724 17742 9467 1 14 . 1 1 83 83 PHE N N 413 122.184 122.184 124.886 -2.702 17742 9468 1 14 . 1 1 83 83 PHE HA H 413 4.865 4.865 5.493 -0.628 17742 9469 1 14 . 1 1 83 83 PHE C C 413 172.849 172.849 174.684 -1.835 17742 9470 1 14 . 1 1 83 83 PHE CA C 413 55.921 55.921 54.205 1.716 17742 9471 1 14 . 1 1 83 83 PHE CB C 413 44.569 44.569 42.583 1.986 17742 9472 1 14 . 1 1 83 83 PHE H H 413 8.661 8.661 8.959 -0.298 17742 9473 1 14 . 1 1 84 84 ARG N N 414 119.461 119.461 119.835 -0.374 17742 9474 1 14 . 1 1 84 84 ARG HA H 414 5.581 5.581 5.239 0.342 17742 9475 1 14 . 1 1 84 84 ARG C C 414 177.641 177.641 174.716 2.925 17742 9476 1 14 . 1 1 84 84 ARG CA C 414 54.239 54.239 55.147 -0.908 17742 9477 1 14 . 1 1 84 84 ARG CB C 414 36.198 36.198 34.127 2.071 17742 9478 1 14 . 1 1 84 84 ARG H H 414 9.098 9.098 8.973 0.125 17742 9479 1 14 . 1 1 85 85 PHE N N 415 124.274 124.274 127.468 -3.194 17742 9480 1 14 . 1 1 85 85 PHE HA H 415 5.027 5.027 5.126 -0.099 17742 9481 1 14 . 1 1 85 85 PHE C C 415 176.117 176.117 176.054 0.063 17742 9482 1 14 . 1 1 85 85 PHE CA C 415 59.657 59.657 59.159 0.498 17742 9483 1 14 . 1 1 85 85 PHE CB C 415 40.819 40.819 38.762 2.057 17742 9484 1 14 . 1 1 85 85 PHE H H 415 8.928 8.928 9.435 -0.507 17742 9485 1 14 . 1 1 86 86 MET N N 416 121.081 121.081 124.288 -3.207 17742 9486 1 14 . 1 1 86 86 MET HA H 416 4.656 4.656 4.402 0.254 17742 9487 1 14 . 1 1 86 86 MET C C 416 176.444 176.444 176.337 0.107 17742 9488 1 14 . 1 1 86 86 MET CA C 416 54.681 54.681 57.480 -2.799 17742 9489 1 14 . 1 1 86 86 MET CB C 416 31.698 31.698 33.084 -1.386 17742 9490 1 14 . 1 1 86 86 MET H H 416 8.676 8.676 9.083 -0.407 17742 9491 1 14 . 1 1 87 87 LYS N N 417 117.772 117.772 114.335 3.437 17742 9492 1 14 . 1 1 87 87 LYS HA H 417 4.899 4.899 4.734 0.165 17742 9493 1 14 . 1 1 87 87 LYS C C 417 175.621 175.621 174.872 0.749 17742 9494 1 14 . 1 1 87 87 LYS CA C 417 54.522 54.522 54.770 -0.248 17742 9495 1 14 . 1 1 87 87 LYS CB C 417 37.905 37.905 35.249 2.655 17742 9496 1 14 . 1 1 87 87 LYS H H 417 7.624 7.624 7.416 0.208 17742 9497 1 14 . 1 1 88 88 THR N N 418 112.426 112.426 110.684 1.742 17742 9498 1 14 . 1 1 88 88 THR HA H 418 4.372 4.372 4.495 -0.123 17742 9499 1 14 . 1 1 88 88 THR CA C 418 59.786 59.786 58.612 1.174 17742 9500 1 14 . 1 1 88 88 THR CB C 418 68.040 68.040 68.316 -0.276 17742 9501 1 14 . 1 1 88 88 THR H H 418 8.787 8.787 9.006 -0.219 17742 9502 1 14 . 1 1 89 89 PRO HA H 419 3.654 3.654 3.153 0.501 17742 9503 1 14 . 1 1 89 89 PRO C C 419 177.412 177.412 178.433 -1.021 17742 9504 1 14 . 1 1 89 89 PRO CA C 419 65.712 65.712 66.659 -0.947 17742 9505 1 14 . 1 1 89 89 PRO CB C 419 31.762 31.762 31.806 -0.044 17742 9506 1 14 . 1 1 90 90 ASP N N 420 114.221 114.221 114.397 -0.176 17742 9507 1 14 . 1 1 90 90 ASP HA H 420 4.224 4.224 4.392 -0.168 17742 9508 1 14 . 1 1 90 90 ASP C C 420 178.341 178.341 177.589 0.752 17742 9509 1 14 . 1 1 90 90 ASP CA C 420 56.657 56.657 56.906 -0.249 17742 9510 1 14 . 1 1 90 90 ASP CB C 420 40.642 40.642 40.706 -0.064 17742 9511 1 14 . 1 1 90 90 ASP H H 420 7.958 7.958 8.539 -0.581 17742 9512 1 14 . 1 1 91 91 GLU N N 421 119.443 119.443 117.292 2.151 17742 9513 1 14 . 1 1 91 91 GLU HA H 421 4.006 4.006 4.042 -0.036 17742 9514 1 14 . 1 1 91 91 GLU C C 421 179.238 179.238 177.941 1.297 17742 9515 1 14 . 1 1 91 91 GLU CA C 421 58.458 58.458 58.319 0.139 17742 9516 1 14 . 1 1 91 91 GLU CB C 421 30.774 30.774 29.831 0.943 17742 9517 1 14 . 1 1 91 91 GLU H H 421 7.628 7.628 7.510 0.118 17742 9518 1 14 . 1 1 92 92 ILE N N 422 120.617 120.617 117.684 2.933 17742 9519 1 14 . 1 1 92 92 ILE HA H 422 3.589 3.589 3.564 0.025 17742 9520 1 14 . 1 1 92 92 ILE C C 422 178.124 178.124 177.745 0.379 17742 9521 1 14 . 1 1 92 92 ILE CA C 422 63.878 63.878 63.977 -0.099 17742 9522 1 14 . 1 1 92 92 ILE CB C 422 38.142 38.142 37.735 0.407 17742 9523 1 14 . 1 1 92 92 ILE H H 422 7.896 7.896 7.471 0.425 17742 9524 1 14 . 1 1 93 93 MET N N 423 117.857 117.857 118.011 -0.154 17742 9525 1 14 . 1 1 93 93 MET HA H 423 4.365 4.365 4.207 0.158 17742 9526 1 14 . 1 1 93 93 MET C C 423 177.009 177.009 177.428 -0.419 17742 9527 1 14 . 1 1 93 93 MET CA C 423 56.527 56.527 58.225 -1.698 17742 9528 1 14 . 1 1 93 93 MET CB C 423 32.617 32.617 32.811 -0.194 17742 9529 1 14 . 1 1 93 93 MET H H 423 8.161 8.161 7.994 0.167 17742 9530 1 14 . 1 1 94 94 SER N N 424 114.591 114.591 113.433 1.158 17742 9531 1 14 . 1 1 94 94 SER HA H 424 4.406 4.406 4.375 0.031 17742 9532 1 14 . 1 1 94 94 SER C C 424 175.262 175.262 174.198 1.064 17742 9533 1 14 . 1 1 94 94 SER CA C 424 59.482 59.482 58.669 0.813 17742 9534 1 14 . 1 1 94 94 SER CB C 424 63.466 63.466 62.875 0.591 17742 9535 1 14 . 1 1 94 94 SER H H 424 7.744 7.744 7.605 0.139 17742 9536 1 14 . 1 1 95 95 GLY N N 425 109.590 109.590 110.214 -0.624 17742 9537 1 14 . 1 1 95 95 GLY C C 425 174.197 174.197 173.930 0.267 17742 9538 1 14 . 1 1 95 95 GLY CA C 425 45.122 45.122 45.790 -0.668 17742 9539 1 14 . 1 1 95 95 GLY H H 425 7.970 7.970 7.812 0.158 17742 9540 1 14 . 1 1 96 96 ARG N N 426 119.792 119.792 121.836 -2.044 17742 9541 1 14 . 1 1 96 96 ARG HA H 426 4.567 4.567 5.068 -0.501 17742 9542 1 14 . 1 1 96 96 ARG C C 426 177.866 177.866 176.911 0.955 17742 9543 1 14 . 1 1 96 96 ARG CA C 426 55.757 55.757 53.848 1.909 17742 9544 1 14 . 1 1 96 96 ARG CB C 426 30.059 30.059 29.712 0.347 17742 9545 1 14 . 1 1 96 96 ARG H H 426 8.144 8.144 8.011 0.133 17742 9546 1 14 . 1 1 97 97 THR N N 427 114.770 114.770 113.770 1.000 17742 9547 1 14 . 1 1 97 97 THR HA H 427 4.221 4.221 4.245 -0.024 17742 9548 1 14 . 1 1 97 97 THR C C 427 175.449 175.449 175.262 0.187 17742 9549 1 14 . 1 1 97 97 THR CA C 427 63.411 63.411 66.021 -2.610 17742 9550 1 14 . 1 1 97 97 THR CB C 427 69.080 69.080 68.757 0.323 17742 9551 1 14 . 1 1 97 97 THR H H 427 8.427 8.427 8.203 0.224 17742 9552 1 14 . 1 1 98 98 ASP N N 428 122.017 122.017 120.999 1.018 17742 9553 1 14 . 1 1 98 98 ASP HA H 428 4.404 4.404 4.365 0.039 17742 9554 1 14 . 1 1 98 98 ASP C C 428 178.042 178.042 178.154 -0.112 17742 9555 1 14 . 1 1 98 98 ASP CA C 428 56.438 56.438 57.128 -0.690 17742 9556 1 14 . 1 1 98 98 ASP CB C 428 40.012 40.012 39.865 0.147 17742 9557 1 14 . 1 1 98 98 ASP H H 428 8.659 8.659 8.833 -0.174 17742 9558 1 14 . 1 1 99 99 ARG N N 429 120.083 120.083 119.612 0.471 17742 9559 1 14 . 1 1 99 99 ARG HA H 429 4.190 4.190 4.215 -0.025 17742 9560 1 14 . 1 1 99 99 ARG C C 429 178.236 178.236 178.508 -0.272 17742 9561 1 14 . 1 1 99 99 ARG CA C 429 58.307 58.307 58.615 -0.308 17742 9562 1 14 . 1 1 99 99 ARG CB C 429 30.073 30.073 30.362 -0.289 17742 9563 1 14 . 1 1 99 99 ARG H H 429 8.011 8.011 7.447 0.565 17742 9564 1 14 . 1 1 100 100 LEU N N 430 119.784 119.784 120.832 -1.048 17742 9565 1 14 . 1 1 100 100 LEU HA H 430 4.048 4.048 4.044 0.004 17742 9566 1 14 . 1 1 100 100 LEU C C 430 178.209 178.209 178.899 -0.690 17742 9567 1 14 . 1 1 100 100 LEU CA C 430 57.535 57.535 57.929 -0.394 17742 9568 1 14 . 1 1 100 100 LEU CB C 430 42.218 42.218 41.751 0.467 17742 9569 1 14 . 1 1 100 100 LEU H H 430 7.667 7.667 7.486 0.181 17742 9570 1 14 . 1 1 101 101 GLU N N 431 119.434 119.434 118.322 1.112 17742 9571 1 14 . 1 1 101 101 GLU HA H 431 3.962 3.962 4.026 -0.064 17742 9572 1 14 . 1 1 101 101 GLU C C 431 178.773 178.773 179.201 -0.428 17742 9573 1 14 . 1 1 101 101 GLU CA C 431 59.470 59.470 59.454 0.016 17742 9574 1 14 . 1 1 101 101 GLU CB C 431 29.667 29.667 29.266 0.401 17742 9575 1 14 . 1 1 101 101 GLU H H 431 8.339 8.339 8.610 -0.271 17742 9576 1 14 . 1 1 102 102 HIS N N 432 118.026 118.026 118.421 -0.395 17742 9577 1 14 . 1 1 102 102 HIS HA H 432 4.463 4.463 4.460 0.003 17742 9578 1 14 . 1 1 102 102 HIS C C 432 177.322 177.322 177.310 0.012 17742 9579 1 14 . 1 1 102 102 HIS CA C 432 58.432 58.432 58.592 -0.160 17742 9580 1 14 . 1 1 102 102 HIS CB C 432 29.237 29.237 30.333 -1.096 17742 9581 1 14 . 1 1 102 102 HIS H H 432 7.995 7.995 7.523 0.472 17742 9582 1 14 . 1 1 103 103 LEU N N 433 120.785 120.785 120.982 -0.197 17742 9583 1 14 . 1 1 103 103 LEU HA H 433 3.971 3.971 4.039 -0.068 17742 9584 1 14 . 1 1 103 103 LEU C C 433 179.014 179.014 178.434 0.580 17742 9585 1 14 . 1 1 103 103 LEU CA C 433 57.570 57.570 57.535 0.035 17742 9586 1 14 . 1 1 103 103 LEU CB C 433 41.606 41.606 41.227 0.379 17742 9587 1 14 . 1 1 103 103 LEU H H 433 8.077 8.077 7.978 0.099 17742 9588 1 14 . 1 1 104 104 GLU N N 434 119.107 119.107 119.225 -0.118 17742 9589 1 14 . 1 1 104 104 GLU HA H 434 4.025 4.025 3.964 0.061 17742 9590 1 14 . 1 1 104 104 GLU C C 434 178.187 178.187 178.954 -0.767 17742 9591 1 14 . 1 1 104 104 GLU CA C 434 60.221 60.221 60.316 -0.094 17742 9592 1 14 . 1 1 104 104 GLU CB C 434 30.104 30.104 29.369 0.735 17742 9593 1 14 . 1 1 104 104 GLU H H 434 8.443 8.443 8.813 -0.370 17742 9594 1 14 . 1 1 105 105 SER N N 435 114.129 114.129 112.251 1.878 17742 9595 1 14 . 1 1 105 105 SER HA H 435 4.204 4.204 4.090 0.114 17742 9596 1 14 . 1 1 105 105 SER C C 435 175.924 175.924 175.722 0.202 17742 9597 1 14 . 1 1 105 105 SER CA C 435 61.303 61.303 61.007 0.296 17742 9598 1 14 . 1 1 105 105 SER CB C 435 63.070 63.070 62.669 0.401 17742 9599 1 14 . 1 1 105 105 SER H H 435 8.041 8.041 8.376 -0.335 17742 9600 1 14 . 1 1 106 106 GLN N N 436 120.201 120.201 119.825 0.376 17742 9601 1 14 . 1 1 106 106 GLN HA H 436 4.124 4.124 4.189 -0.065 17742 9602 1 14 . 1 1 106 106 GLN C C 436 178.242 178.242 178.208 0.034 17742 9603 1 14 . 1 1 106 106 GLN CA C 436 58.242 58.242 57.835 0.407 17742 9604 1 14 . 1 1 106 106 GLN CB C 436 29.001 29.001 29.193 -0.192 17742 9605 1 14 . 1 1 106 106 GLN H H 436 7.823 7.823 7.514 0.309 17742 9606 1 14 . 1 1 107 107 VAL N N 437 117.503 117.503 120.803 -3.300 17742 9607 1 14 . 1 1 107 107 VAL HA H 437 3.955 3.955 4.140 -0.185 17742 9608 1 14 . 1 1 107 107 VAL C C 437 177.462 177.462 177.604 -0.142 17742 9609 1 14 . 1 1 107 107 VAL CA C 437 64.414 64.414 65.290 -0.876 17742 9610 1 14 . 1 1 107 107 VAL CB C 437 32.192 32.192 31.666 0.527 17742 9611 1 14 . 1 1 107 107 VAL H H 437 7.711 7.711 8.523 -0.812 17742 9612 1 14 . 1 1 108 108 LEU HA H 438 4.072 4.072 4.197 -0.125 17742 9613 1 14 . 1 1 108 108 LEU C C 438 177.614 177.614 177.726 -0.112 17742 9614 1 14 . 1 1 108 108 LEU CA C 438 56.521 56.521 56.091 0.430 17742 9615 1 14 . 1 1 108 108 LEU CB C 438 42.149 42.149 41.439 0.710 17742 9616 1 14 . 1 1 109 109 ASP N N 439 118.500 118.500 118.452 0.048 17742 9617 1 14 . 1 1 109 109 ASP HA H 439 4.685 4.685 4.647 0.038 17742 9618 1 14 . 1 1 109 109 ASP C C 439 176.372 176.372 177.248 -0.876 17742 9619 1 14 . 1 1 109 109 ASP CA C 439 54.653 54.653 54.307 0.346 17742 9620 1 14 . 1 1 109 109 ASP CB C 439 41.425 41.425 42.194 -0.769 17742 9621 1 14 . 1 1 109 109 ASP H H 439 7.872 7.872 8.025 -0.153 17742 9622 1 14 . 1 1 110 110 GLU N N 440 120.701 120.701 118.561 2.140 17742 9623 1 14 . 1 1 110 110 GLU HA H 440 4.188 4.188 4.149 0.039 17742 9624 1 14 . 1 1 110 110 GLU C C 440 176.739 176.739 177.279 -0.540 17742 9625 1 14 . 1 1 110 110 GLU CA C 440 57.310 57.310 58.806 -1.496 17742 9626 1 14 . 1 1 110 110 GLU CB C 440 30.091 30.091 30.110 -0.019 17742 9627 1 14 . 1 1 110 110 GLU H H 440 7.929 7.929 8.257 -0.328 17742 9628 1 14 . 1 1 111 111 GLN N N 441 120.829 120.829 116.660 4.169 17742 9629 1 14 . 1 1 111 111 GLN HA H 441 4.341 4.341 4.589 -0.248 17742 9630 1 14 . 1 1 111 111 GLN C C 441 176.214 176.214 176.100 0.114 17742 9631 1 14 . 1 1 111 111 GLN CA C 441 56.103 56.103 55.462 0.641 17742 9632 1 14 . 1 1 111 111 GLN CB C 441 29.607 29.607 29.535 0.072 17742 9633 1 14 . 1 1 111 111 GLN H H 441 8.434 8.434 7.868 0.566 17742 9634 1 14 . 1 1 112 112 THR N N 442 114.861 114.861 113.535 1.326 17742 9635 1 14 . 1 1 112 112 THR HA H 442 4.258 4.258 4.442 -0.184 17742 9636 1 14 . 1 1 112 112 THR C C 442 174.095 174.095 173.901 0.194 17742 9637 1 14 . 1 1 112 112 THR CA C 442 62.140 62.140 63.407 -1.267 17742 9638 1 14 . 1 1 112 112 THR CB C 442 69.870 69.870 69.059 0.811 17742 9639 1 14 . 1 1 112 112 THR H H 442 8.038 8.038 8.589 -0.551 17742 9640 1 14 . 1 1 113 113 TYR N N 443 122.709 122.709 114.067 8.642 17742 9641 1 14 . 1 1 113 113 TYR HA H 443 4.552 4.552 4.136 0.416 17742 9642 1 14 . 1 1 113 113 TYR C C 443 175.303 175.303 175.412 -0.109 17742 9643 1 14 . 1 1 113 113 TYR CA C 443 57.921 57.921 57.922 -0.001 17742 9644 1 14 . 1 1 113 113 TYR CB C 443 38.982 38.982 36.230 2.752 17742 9645 1 14 . 1 1 113 113 TYR H H 443 8.171 8.171 7.883 0.288 17742 9646 1 14 . 1 1 114 114 GLN N N 444 122.768 122.768 121.351 1.417 17742 9647 1 14 . 1 1 114 114 GLN HA H 444 4.284 4.284 4.120 0.164 17742 9648 1 14 . 1 1 114 114 GLN C C 444 175.372 175.372 175.416 -0.044 17742 9649 1 14 . 1 1 114 114 GLN CA C 444 55.543 55.543 54.968 0.575 17742 9650 1 14 . 1 1 114 114 GLN CB C 444 29.894 29.894 27.696 2.198 17742 9651 1 14 . 1 1 114 114 GLN H H 444 8.202 8.202 8.708 -0.506 17742 9652 1 14 . 1 1 115 115 GLU N N 445 122.370 122.370 120.783 1.587 17742 9653 1 14 . 1 1 115 115 GLU HA H 445 4.225 4.225 3.862 0.363 17742 9654 1 14 . 1 1 115 115 GLU C C 445 176.058 176.058 175.635 0.423 17742 9655 1 14 . 1 1 115 115 GLU CA C 445 56.612 56.612 56.731 -0.119 17742 9656 1 14 . 1 1 115 115 GLU CB C 445 30.517 30.517 29.819 0.698 17742 9657 1 14 . 1 1 115 115 GLU H H 445 8.371 8.371 7.174 1.197 17742 9658 1 14 . 1 1 116 116 ASP N N 446 121.090 121.090 124.387 -3.297 17742 9659 1 14 . 1 1 116 116 ASP HA H 446 4.595 4.595 4.551 0.044 17742 9660 1 14 . 1 1 116 116 ASP C C 446 175.872 175.872 175.366 0.506 17742 9661 1 14 . 1 1 116 116 ASP CA C 446 54.382 54.382 54.550 -0.168 17742 9662 1 14 . 1 1 116 116 ASP CB C 446 41.402 41.402 41.738 -0.336 17742 9663 1 14 . 1 1 116 116 ASP H H 446 8.336 8.336 8.378 -0.042 17742 9664 1 14 . 1 1 117 117 GLU N N 447 121.977 121.977 119.208 2.769 17742 9665 1 14 . 1 1 117 117 GLU HA H 447 4.575 4.575 4.720 -0.145 17742 9666 1 14 . 1 1 117 117 GLU CA C 447 54.442 54.442 53.165 1.277 17742 9667 1 14 . 1 1 117 117 GLU CB C 447 30.254 30.254 30.337 -0.083 17742 9668 1 14 . 1 1 117 117 GLU H H 447 8.194 8.194 7.986 0.208 17742 9669 1 14 . 1 1 118 118 PRO HA H 448 4.461 4.461 4.565 -0.104 17742 9670 1 14 . 1 1 118 118 PRO C C 448 177.160 177.160 176.189 0.971 17742 9671 1 14 . 1 1 118 118 PRO CA C 448 63.371 63.371 63.737 -0.367 17742 9672 1 14 . 1 1 118 118 PRO CB C 448 32.302 32.302 31.289 1.013 17742 9673 1 14 . 1 1 119 119 THR N N 449 114.788 114.788 118.281 -3.493 17742 9674 1 14 . 1 1 119 119 THR HA H 449 4.292 4.292 4.640 -0.348 17742 9675 1 14 . 1 1 119 119 THR C C 449 174.664 174.664 173.593 1.071 17742 9676 1 14 . 1 1 119 119 THR CA C 449 62.117 62.117 60.268 1.849 17742 9677 1 14 . 1 1 119 119 THR CB C 449 69.861 69.861 70.821 -0.960 17742 9678 1 14 . 1 1 119 119 THR H H 449 8.235 8.235 8.397 -0.162 17742 9679 1 14 . 1 1 120 120 ILE N N 450 123.074 123.074 124.132 -1.058 17742 9680 1 14 . 1 1 120 120 ILE HA H 450 4.169 4.169 4.297 -0.128 17742 9681 1 14 . 1 1 120 120 ILE C C 450 175.683 175.683 175.992 -0.309 17742 9682 1 14 . 1 1 120 120 ILE CA C 450 60.987 60.987 59.952 1.035 17742 9683 1 14 . 1 1 120 120 ILE CB C 450 38.983 38.983 36.537 2.446 17742 9684 1 14 . 1 1 120 120 ILE H H 450 8.043 8.043 8.595 -0.552 17742 9685 1 14 . 1 1 121 121 ALA N N 451 128.011 128.011 132.024 -4.013 17742 9686 1 14 . 1 1 121 121 ALA HA H 451 4.332 4.332 4.334 -0.002 17742 9687 1 14 . 1 1 121 121 ALA C C 451 177.333 177.333 177.017 0.316 17742 9688 1 14 . 1 1 121 121 ALA CA C 451 52.364 52.364 52.605 -0.241 17742 9689 1 14 . 1 1 121 121 ALA CB C 451 19.534 19.534 19.880 -0.346 17742 9690 1 14 . 1 1 121 121 ALA H H 451 8.277 8.277 8.733 -0.456 17742 9691 1 14 . 1 1 122 122 SER N N 452 116.575 116.575 113.171 3.404 17742 9692 1 14 . 1 1 122 122 SER HA H 452 4.672 4.672 4.770 -0.098 17742 9693 1 14 . 1 1 122 122 SER CA C 452 56.230 56.230 55.654 0.576 17742 9694 1 14 . 1 1 122 122 SER CB C 452 63.460 63.460 64.095 -0.635 17742 9695 1 14 . 1 1 122 122 SER H H 452 8.161 8.161 7.483 0.678 17742 9696 1 14 . 1 1 123 123 PRO HA H 453 4.395 4.395 4.373 0.022 17742 9697 1 14 . 1 1 123 123 PRO C C 453 176.993 176.993 175.665 1.328 17742 9698 1 14 . 1 1 123 123 PRO CA C 453 63.303 63.303 63.538 -0.235 17742 9699 1 14 . 1 1 123 123 PRO CB C 453 32.149 32.149 30.985 1.164 17742 9700 1 14 . 1 1 124 124 VAL N N 454 119.733 119.733 123.232 -3.499 17742 9701 1 14 . 1 1 124 124 VAL HA H 454 4.010 4.010 3.974 0.036 17742 9702 1 14 . 1 1 124 124 VAL CA C 454 62.674 62.674 61.354 1.320 17742 9703 1 14 . 1 1 124 124 VAL CB C 454 32.669 32.669 32.322 0.347 17742 9704 1 14 . 1 1 124 124 VAL H H 454 8.058 8.058 7.945 0.113 17742 9705 1 14 . 1 1 125 125 GLY N N 455 111.901 111.901 108.378 3.523 17742 9706 1 14 . 1 1 125 125 GLY CA C 455 45.152 45.152 44.587 0.565 17742 9707 1 14 . 1 1 125 125 GLY H H 455 8.255 8.255 7.530 0.725 17742 9708 1 14 . 1 1 126 126 TRP N N 456 122.405 122.405 123.757 -1.352 17742 9709 1 14 . 1 1 126 126 TRP HA H 456 4.929 4.929 4.702 0.227 17742 9710 1 14 . 1 1 126 126 TRP CA C 456 55.029 55.029 54.895 0.134 17742 9711 1 14 . 1 1 126 126 TRP CB C 456 29.383 29.383 29.562 -0.179 17742 9712 1 14 . 1 1 126 126 TRP H H 456 7.906 7.906 7.946 -0.040 17742 9713 1 14 . 1 1 127 127 PRO HA H 457 4.429 4.429 4.368 0.061 17742 9714 1 14 . 1 1 127 127 PRO C C 457 175.951 175.951 176.282 -0.331 17742 9715 1 14 . 1 1 127 127 PRO CA C 457 63.558 63.558 63.233 0.325 17742 9716 1 14 . 1 1 127 127 PRO CB C 457 31.932 31.932 31.606 0.326 17742 9717 1 15 . 1 1 5 5 ARG N N 335 123.607 123.607 119.074 4.533 17742 9718 1 15 . 1 1 5 5 ARG HA H 335 4.382 4.382 4.699 -0.317 17742 9719 1 15 . 1 1 5 5 ARG CA C 335 56.926 56.926 55.346 1.580 17742 9720 1 15 . 1 1 5 5 ARG H H 335 9.161 9.161 9.196 -0.035 17742 9721 1 15 . 1 1 6 6 LEU N N 336 122.412 122.412 120.739 1.673 17742 9722 1 15 . 1 1 6 6 LEU CB C 336 42.172 42.172 41.908 0.264 17742 9723 1 15 . 1 1 6 6 LEU H H 336 8.775 8.775 7.451 1.324 17742 9724 1 15 . 1 1 7 7 LEU HA H 337 3.669 3.669 4.371 -0.702 17742 9725 1 15 . 1 1 7 7 LEU CA C 337 59.053 59.053 58.679 0.374 17742 9726 1 15 . 1 1 7 7 LEU CB C 337 40.447 40.447 42.021 -1.574 17742 9727 1 15 . 1 1 8 8 TRP N N 338 114.197 114.197 115.338 -1.141 17742 9728 1 15 . 1 1 8 8 TRP HA H 338 3.747 3.747 4.607 -0.860 17742 9729 1 15 . 1 1 8 8 TRP CA C 338 60.071 60.071 58.983 1.088 17742 9730 1 15 . 1 1 8 8 TRP CB C 338 28.481 28.481 28.510 -0.029 17742 9731 1 15 . 1 1 8 8 TRP H H 338 7.595 7.595 7.449 0.146 17742 9732 1 15 . 1 1 9 9 ASP HA H 339 3.648 3.648 4.685 -1.037 17742 9733 1 15 . 1 1 9 9 ASP C C 339 177.491 177.491 177.902 -0.411 17742 9734 1 15 . 1 1 9 9 ASP CA C 339 56.197 56.197 57.276 -1.079 17742 9735 1 15 . 1 1 9 9 ASP CB C 339 41.702 41.702 40.966 0.736 17742 9736 1 15 . 1 1 10 10 TYR N N 340 120.786 120.786 121.601 -0.815 17742 9737 1 15 . 1 1 10 10 TYR HA H 340 3.851 3.851 4.113 -0.262 17742 9738 1 15 . 1 1 10 10 TYR C C 340 177.016 177.016 177.682 -0.666 17742 9739 1 15 . 1 1 10 10 TYR CA C 340 61.921 61.921 61.303 0.618 17742 9740 1 15 . 1 1 10 10 TYR CB C 340 39.202 39.202 38.754 0.448 17742 9741 1 15 . 1 1 10 10 TYR H H 340 7.929 7.929 7.624 0.305 17742 9742 1 15 . 1 1 11 11 VAL N N 341 114.828 114.828 119.145 -4.317 17742 9743 1 15 . 1 1 11 11 VAL HA H 341 2.982 2.982 3.652 -0.670 17742 9744 1 15 . 1 1 11 11 VAL C C 341 176.795 176.795 177.157 -0.362 17742 9745 1 15 . 1 1 11 11 VAL CA C 341 66.855 66.855 65.637 1.218 17742 9746 1 15 . 1 1 11 11 VAL CB C 341 31.152 31.152 31.892 -0.740 17742 9747 1 15 . 1 1 11 11 VAL H H 341 8.291 8.291 8.489 -0.198 17742 9748 1 15 . 1 1 12 12 TYR N N 342 119.177 119.177 119.238 -0.061 17742 9749 1 15 . 1 1 12 12 TYR HA H 342 3.617 3.617 3.921 -0.304 17742 9750 1 15 . 1 1 12 12 TYR C C 342 178.765 178.765 176.871 1.894 17742 9751 1 15 . 1 1 12 12 TYR CA C 342 62.960 62.960 60.888 2.072 17742 9752 1 15 . 1 1 12 12 TYR CB C 342 38.232 38.232 38.306 -0.074 17742 9753 1 15 . 1 1 12 12 TYR H H 342 7.712 7.712 7.834 -0.122 17742 9754 1 15 . 1 1 13 13 GLN N N 343 118.873 118.873 118.051 0.822 17742 9755 1 15 . 1 1 13 13 GLN HA H 343 3.833 3.833 3.981 -0.148 17742 9756 1 15 . 1 1 13 13 GLN C C 343 179.917 179.917 178.650 1.267 17742 9757 1 15 . 1 1 13 13 GLN CA C 343 58.821 58.821 58.234 0.587 17742 9758 1 15 . 1 1 13 13 GLN CB C 343 27.649 27.649 28.599 -0.950 17742 9759 1 15 . 1 1 13 13 GLN H H 343 8.076 8.076 7.743 0.333 17742 9760 1 15 . 1 1 14 14 LEU N N 344 121.381 121.381 120.020 1.361 17742 9761 1 15 . 1 1 14 14 LEU HA H 344 3.611 3.611 3.709 -0.098 17742 9762 1 15 . 1 1 14 14 LEU C C 344 179.861 179.861 179.159 0.702 17742 9763 1 15 . 1 1 14 14 LEU CA C 344 58.121 58.121 57.087 1.034 17742 9764 1 15 . 1 1 14 14 LEU CB C 344 41.382 41.382 41.562 -0.180 17742 9765 1 15 . 1 1 14 14 LEU H H 344 7.772 7.772 7.384 0.388 17742 9766 1 15 . 1 1 15 15 LEU N N 345 116.801 116.801 116.443 0.358 17742 9767 1 15 . 1 1 15 15 LEU HA H 345 3.513 3.513 3.988 -0.475 17742 9768 1 15 . 1 1 15 15 LEU C C 345 178.221 178.221 177.774 0.447 17742 9769 1 15 . 1 1 15 15 LEU CA C 345 56.568 56.568 56.486 0.082 17742 9770 1 15 . 1 1 15 15 LEU CB C 345 41.431 41.431 41.099 0.332 17742 9771 1 15 . 1 1 15 15 LEU H H 345 7.546 7.546 7.484 0.062 17742 9772 1 15 . 1 1 16 16 SER N N 346 112.511 112.511 111.945 0.566 17742 9773 1 15 . 1 1 16 16 SER HA H 346 4.542 4.542 4.520 0.022 17742 9774 1 15 . 1 1 16 16 SER C C 346 172.510 172.510 173.978 -1.468 17742 9775 1 15 . 1 1 16 16 SER CA C 346 58.891 58.891 57.804 1.087 17742 9776 1 15 . 1 1 16 16 SER CB C 346 63.993 63.993 63.689 0.304 17742 9777 1 15 . 1 1 16 16 SER H H 346 7.277 7.277 7.403 -0.126 17742 9778 1 15 . 1 1 17 17 ASP N N 347 122.234 122.234 121.247 0.987 17742 9779 1 15 . 1 1 17 17 ASP HA H 347 4.969 4.969 4.937 0.032 17742 9780 1 15 . 1 1 17 17 ASP C C 347 175.703 175.703 176.564 -0.861 17742 9781 1 15 . 1 1 17 17 ASP CA C 347 52.761 52.761 52.928 -0.167 17742 9782 1 15 . 1 1 17 17 ASP CB C 347 43.427 43.427 43.691 -0.264 17742 9783 1 15 . 1 1 17 17 ASP H H 347 7.353 7.353 7.526 -0.173 17742 9784 1 15 . 1 1 18 18 SER N N 348 120.139 120.139 120.814 -0.675 17742 9785 1 15 . 1 1 18 18 SER HA H 348 4.371 4.371 4.272 0.099 17742 9786 1 15 . 1 1 18 18 SER C C 348 176.259 176.259 176.105 0.154 17742 9787 1 15 . 1 1 18 18 SER CA C 348 61.131 61.131 60.232 0.899 17742 9788 1 15 . 1 1 18 18 SER CB C 348 63.177 63.177 63.268 -0.091 17742 9789 1 15 . 1 1 18 18 SER H H 348 8.691 8.691 8.864 -0.173 17742 9790 1 15 . 1 1 19 19 ARG N N 349 122.716 122.716 122.009 0.707 17742 9791 1 15 . 1 1 19 19 ARG HA H 349 4.114 4.114 3.914 0.200 17742 9792 1 15 . 1 1 19 19 ARG C C 349 178.154 178.154 177.635 0.519 17742 9793 1 15 . 1 1 19 19 ARG CA C 349 58.531 58.531 58.428 0.103 17742 9794 1 15 . 1 1 19 19 ARG CB C 349 29.794 29.794 29.549 0.245 17742 9795 1 15 . 1 1 19 19 ARG H H 349 8.586 8.586 7.746 0.840 17742 9796 1 15 . 1 1 20 20 TYR N N 350 116.201 116.201 116.972 -0.771 17742 9797 1 15 . 1 1 20 20 TYR HA H 350 4.883 4.883 4.864 0.019 17742 9798 1 15 . 1 1 20 20 TYR C C 350 177.029 177.029 176.095 0.934 17742 9799 1 15 . 1 1 20 20 TYR CA C 350 58.741 58.741 56.437 2.304 17742 9800 1 15 . 1 1 20 20 TYR CB C 350 37.642 37.642 36.492 1.149 17742 9801 1 15 . 1 1 20 20 TYR H H 350 8.291 8.291 7.434 0.857 17742 9802 1 15 . 1 1 21 21 GLU N N 351 120.803 120.803 120.396 0.407 17742 9803 1 15 . 1 1 21 21 GLU HA H 351 4.466 4.466 4.265 0.201 17742 9804 1 15 . 1 1 21 21 GLU C C 351 176.324 176.324 176.943 -0.619 17742 9805 1 15 . 1 1 21 21 GLU CA C 351 59.132 59.132 58.761 0.371 17742 9806 1 15 . 1 1 21 21 GLU CB C 351 29.864 29.864 28.973 0.891 17742 9807 1 15 . 1 1 21 21 GLU H H 351 7.513 7.513 7.820 -0.307 17742 9808 1 15 . 1 1 22 22 ASN N N 352 114.531 114.531 115.684 -1.153 17742 9809 1 15 . 1 1 22 22 ASN HA H 352 4.492 4.492 4.614 -0.122 17742 9810 1 15 . 1 1 22 22 ASN C C 352 174.497 174.497 175.502 -1.005 17742 9811 1 15 . 1 1 22 22 ASN CA C 352 54.122 54.122 53.494 0.628 17742 9812 1 15 . 1 1 22 22 ASN CB C 352 36.935 36.935 39.090 -2.155 17742 9813 1 15 . 1 1 22 22 ASN H H 352 8.649 8.649 8.333 0.316 17742 9814 1 15 . 1 1 23 23 PHE N N 353 115.501 115.501 116.905 -1.404 17742 9815 1 15 . 1 1 23 23 PHE HA H 353 4.751 4.751 4.591 0.160 17742 9816 1 15 . 1 1 23 23 PHE C C 353 176.442 176.442 175.079 1.363 17742 9817 1 15 . 1 1 23 23 PHE CB C 353 41.502 41.502 41.805 -0.303 17742 9818 1 15 . 1 1 23 23 PHE H H 353 8.555 8.555 7.911 0.644 17742 9819 1 15 . 1 1 24 24 ILE N N 354 120.734 120.734 118.039 2.695 17742 9820 1 15 . 1 1 24 24 ILE HA H 354 5.059 5.059 5.043 0.016 17742 9821 1 15 . 1 1 24 24 ILE C C 354 179.332 179.332 173.088 6.244 17742 9822 1 15 . 1 1 24 24 ILE CA C 354 59.831 59.831 60.407 -0.576 17742 9823 1 15 . 1 1 24 24 ILE CB C 354 40.623 40.623 41.931 -1.308 17742 9824 1 15 . 1 1 24 24 ILE H H 354 8.428 8.428 8.791 -0.363 17742 9825 1 15 . 1 1 25 25 ARG N N 355 121.187 121.187 123.223 -2.036 17742 9826 1 15 . 1 1 25 25 ARG HA H 355 4.904 4.904 4.896 0.008 17742 9827 1 15 . 1 1 25 25 ARG C C 355 175.152 175.152 174.130 1.022 17742 9828 1 15 . 1 1 25 25 ARG CA C 355 54.529 54.529 54.457 0.072 17742 9829 1 15 . 1 1 25 25 ARG CB C 355 33.599 33.599 33.895 -0.296 17742 9830 1 15 . 1 1 25 25 ARG H H 355 8.671 8.671 8.781 -0.110 17742 9831 1 15 . 1 1 26 26 TRP N N 356 122.024 122.024 123.302 -1.278 17742 9832 1 15 . 1 1 26 26 TRP HA H 356 4.884 4.884 4.755 0.129 17742 9833 1 15 . 1 1 26 26 TRP C C 356 176.642 176.642 176.688 -0.046 17742 9834 1 15 . 1 1 26 26 TRP CA C 356 57.960 57.960 57.863 0.097 17742 9835 1 15 . 1 1 26 26 TRP CB C 356 30.634 30.634 29.643 0.991 17742 9836 1 15 . 1 1 26 26 TRP H H 356 9.159 9.159 8.795 0.364 17742 9837 1 15 . 1 1 27 27 GLU N N 357 125.331 125.331 125.455 -0.124 17742 9838 1 15 . 1 1 27 27 GLU HA H 357 4.681 4.681 4.392 0.289 17742 9839 1 15 . 1 1 27 27 GLU C C 357 176.775 176.775 176.380 0.395 17742 9840 1 15 . 1 1 27 27 GLU CA C 357 56.990 56.990 58.048 -1.058 17742 9841 1 15 . 1 1 27 27 GLU CB C 357 31.579 31.579 30.676 0.903 17742 9842 1 15 . 1 1 27 27 GLU H H 357 9.504 9.504 8.578 0.926 17742 9843 1 15 . 1 1 28 28 ASP N N 358 116.213 116.213 118.707 -2.494 17742 9844 1 15 . 1 1 28 28 ASP HA H 358 4.771 4.771 4.894 -0.123 17742 9845 1 15 . 1 1 28 28 ASP C C 358 176.167 176.167 175.415 0.752 17742 9846 1 15 . 1 1 28 28 ASP CA C 358 53.541 53.541 53.339 0.202 17742 9847 1 15 . 1 1 28 28 ASP CB C 358 41.932 41.932 41.881 0.051 17742 9848 1 15 . 1 1 28 28 ASP H H 358 7.846 7.846 8.322 -0.476 17742 9849 1 15 . 1 1 29 29 LYS N N 359 127.762 127.762 125.810 1.952 17742 9850 1 15 . 1 1 29 29 LYS HA H 359 3.157 3.157 3.272 -0.115 17742 9851 1 15 . 1 1 29 29 LYS C C 359 178.776 178.776 177.789 0.987 17742 9852 1 15 . 1 1 29 29 LYS CA C 359 60.229 60.229 58.566 1.663 17742 9853 1 15 . 1 1 29 29 LYS CB C 359 32.734 32.734 32.070 0.664 17742 9854 1 15 . 1 1 29 29 LYS H H 359 9.216 9.216 8.593 0.623 17742 9855 1 15 . 1 1 30 30 GLU N N 360 119.601 119.601 117.515 2.086 17742 9856 1 15 . 1 1 30 30 GLU HA H 360 3.925 3.925 4.079 -0.154 17742 9857 1 15 . 1 1 30 30 GLU C C 360 178.684 178.684 177.549 1.135 17742 9858 1 15 . 1 1 30 30 GLU CA C 360 59.570 59.570 58.565 1.006 17742 9859 1 15 . 1 1 30 30 GLU CB C 360 29.177 29.177 29.813 -0.636 17742 9860 1 15 . 1 1 30 30 GLU H H 360 8.340 8.340 7.939 0.401 17742 9861 1 15 . 1 1 31 31 SER N N 361 113.301 113.301 114.006 -0.705 17742 9862 1 15 . 1 1 31 31 SER HA H 361 4.494 4.494 4.471 0.023 17742 9863 1 15 . 1 1 31 31 SER C C 361 172.357 172.357 175.188 -2.831 17742 9864 1 15 . 1 1 31 31 SER CA C 361 58.807 58.807 59.044 -0.237 17742 9865 1 15 . 1 1 31 31 SER CB C 361 63.768 63.768 64.233 -0.465 17742 9866 1 15 . 1 1 31 31 SER H H 361 7.463 7.463 8.242 -0.779 17742 9867 1 15 . 1 1 32 32 LYS N N 362 115.170 115.170 115.019 0.151 17742 9868 1 15 . 1 1 32 32 LYS HA H 362 3.910 3.910 4.289 -0.379 17742 9869 1 15 . 1 1 32 32 LYS C C 362 175.500 175.500 174.963 0.537 17742 9870 1 15 . 1 1 32 32 LYS CA C 362 57.630 57.630 57.370 0.260 17742 9871 1 15 . 1 1 32 32 LYS CB C 362 29.801 29.801 30.282 -0.481 17742 9872 1 15 . 1 1 32 32 LYS H H 362 7.752 7.752 7.713 0.039 17742 9873 1 15 . 1 1 33 33 ILE N N 363 118.274 118.274 120.729 -2.455 17742 9874 1 15 . 1 1 33 33 ILE HA H 363 5.375 5.375 5.023 0.352 17742 9875 1 15 . 1 1 33 33 ILE C C 363 177.068 177.068 175.769 1.299 17742 9876 1 15 . 1 1 33 33 ILE CA C 363 60.428 60.428 59.622 0.806 17742 9877 1 15 . 1 1 33 33 ILE CB C 363 40.206 40.206 37.295 2.911 17742 9878 1 15 . 1 1 33 33 ILE H H 363 8.262 8.262 8.321 -0.059 17742 9879 1 15 . 1 1 34 34 PHE N N 364 128.285 128.285 126.518 1.767 17742 9880 1 15 . 1 1 34 34 PHE HA H 364 5.566 5.566 5.238 0.328 17742 9881 1 15 . 1 1 34 34 PHE C C 364 179.560 179.560 173.028 6.532 17742 9882 1 15 . 1 1 34 34 PHE CA C 364 55.080 55.080 55.180 -0.100 17742 9883 1 15 . 1 1 34 34 PHE CB C 364 44.097 44.097 42.729 1.368 17742 9884 1 15 . 1 1 34 34 PHE H H 364 9.936 9.936 9.272 0.664 17742 9885 1 15 . 1 1 35 35 ARG N N 365 120.953 120.953 123.172 -2.219 17742 9886 1 15 . 1 1 35 35 ARG HA H 365 5.484 5.484 4.564 0.920 17742 9887 1 15 . 1 1 35 35 ARG C C 365 176.522 176.522 174.488 2.034 17742 9888 1 15 . 1 1 35 35 ARG CA C 365 53.584 53.584 53.580 0.004 17742 9889 1 15 . 1 1 35 35 ARG CB C 365 36.439 36.439 33.941 2.498 17742 9890 1 15 . 1 1 35 35 ARG H H 365 9.430 9.430 9.135 0.295 17742 9891 1 15 . 1 1 36 36 ILE N N 366 125.455 125.455 127.688 -2.233 17742 9892 1 15 . 1 1 36 36 ILE HA H 366 4.201 4.201 3.989 0.212 17742 9893 1 15 . 1 1 36 36 ILE C C 366 173.923 173.923 174.726 -0.803 17742 9894 1 15 . 1 1 36 36 ILE CA C 366 63.110 63.110 62.425 0.685 17742 9895 1 15 . 1 1 36 36 ILE CB C 366 37.964 37.964 37.450 0.514 17742 9896 1 15 . 1 1 36 36 ILE H H 366 8.639 8.639 7.944 0.695 17742 9897 1 15 . 1 1 37 37 VAL N N 367 129.251 129.251 127.652 1.599 17742 9898 1 15 . 1 1 37 37 VAL HA H 367 3.674 3.674 3.823 -0.149 17742 9899 1 15 . 1 1 37 37 VAL C C 367 175.948 175.948 175.819 0.129 17742 9900 1 15 . 1 1 37 37 VAL CA C 367 64.171 64.171 64.584 -0.413 17742 9901 1 15 . 1 1 37 37 VAL CB C 367 32.870 32.870 32.637 0.233 17742 9902 1 15 . 1 1 37 37 VAL H H 367 7.839 7.839 8.426 -0.587 17742 9903 1 15 . 1 1 38 38 ASP N N 368 114.991 114.991 118.720 -3.729 17742 9904 1 15 . 1 1 38 38 ASP HA H 368 5.213 5.213 5.057 0.156 17742 9905 1 15 . 1 1 38 38 ASP CA C 368 50.242 50.242 50.577 -0.334 17742 9906 1 15 . 1 1 38 38 ASP CB C 368 42.169 42.169 41.906 0.263 17742 9907 1 15 . 1 1 38 38 ASP H H 368 7.279 7.279 7.941 -0.662 17742 9908 1 15 . 1 1 39 39 PRO HA H 369 3.794 3.794 4.339 -0.545 17742 9909 1 15 . 1 1 39 39 PRO C C 369 178.037 178.037 178.282 -0.245 17742 9910 1 15 . 1 1 39 39 PRO CA C 369 65.619 65.619 65.637 -0.018 17742 9911 1 15 . 1 1 39 39 PRO CB C 369 31.057 31.057 31.771 -0.714 17742 9912 1 15 . 1 1 40 40 ASN N N 370 115.439 115.439 116.811 -1.372 17742 9913 1 15 . 1 1 40 40 ASN HA H 370 4.596 4.596 4.580 0.016 17742 9914 1 15 . 1 1 40 40 ASN C C 370 178.570 178.570 177.812 0.758 17742 9915 1 15 . 1 1 40 40 ASN CA C 370 56.501 56.501 56.167 0.334 17742 9916 1 15 . 1 1 40 40 ASN CB C 370 38.012 38.012 37.846 0.166 17742 9917 1 15 . 1 1 40 40 ASN H H 370 8.121 8.121 8.708 -0.587 17742 9918 1 15 . 1 1 41 41 GLY N N 371 111.317 111.317 108.540 2.777 17742 9919 1 15 . 1 1 41 41 GLY C C 371 176.090 176.090 176.854 -0.764 17742 9920 1 15 . 1 1 41 41 GLY CA C 371 47.932 47.932 46.952 0.980 17742 9921 1 15 . 1 1 41 41 GLY H H 371 8.622 8.622 8.512 0.110 17742 9922 1 15 . 1 1 42 42 LEU N N 372 122.892 122.892 123.864 -0.972 17742 9923 1 15 . 1 1 42 42 LEU HA H 372 4.031 4.031 4.302 -0.271 17742 9924 1 15 . 1 1 42 42 LEU C C 372 177.766 177.766 178.989 -1.223 17742 9925 1 15 . 1 1 42 42 LEU CA C 372 57.830 57.830 57.861 -0.031 17742 9926 1 15 . 1 1 42 42 LEU CB C 372 42.132 42.132 41.315 0.817 17742 9927 1 15 . 1 1 42 42 LEU H H 372 8.881 8.881 8.726 0.155 17742 9928 1 15 . 1 1 43 43 ALA N N 373 120.112 120.112 121.703 -1.591 17742 9929 1 15 . 1 1 43 43 ALA HA H 373 4.458 4.458 4.112 0.346 17742 9930 1 15 . 1 1 43 43 ALA C C 373 179.093 179.093 179.831 -0.738 17742 9931 1 15 . 1 1 43 43 ALA CA C 373 55.451 55.451 55.198 0.253 17742 9932 1 15 . 1 1 43 43 ALA CB C 373 18.324 18.324 18.531 -0.207 17742 9933 1 15 . 1 1 43 43 ALA H H 373 8.072 8.072 8.782 -0.710 17742 9934 1 15 . 1 1 44 44 ARG N N 374 117.916 117.916 118.863 -0.947 17742 9935 1 15 . 1 1 44 44 ARG HA H 374 4.093 4.093 4.226 -0.133 17742 9936 1 15 . 1 1 44 44 ARG C C 374 179.473 179.473 179.501 -0.028 17742 9937 1 15 . 1 1 44 44 ARG CA C 374 59.372 59.372 58.166 1.206 17742 9938 1 15 . 1 1 44 44 ARG CB C 374 30.114 30.114 29.594 0.520 17742 9939 1 15 . 1 1 44 44 ARG H H 374 7.769 7.769 8.183 -0.414 17742 9940 1 15 . 1 1 45 45 LEU N N 375 121.489 121.489 120.026 1.463 17742 9941 1 15 . 1 1 45 45 LEU HA H 375 4.007 4.007 4.122 -0.115 17742 9942 1 15 . 1 1 45 45 LEU C C 375 180.049 180.049 179.346 0.703 17742 9943 1 15 . 1 1 45 45 LEU CA C 375 58.390 58.390 58.166 0.224 17742 9944 1 15 . 1 1 45 45 LEU CB C 375 41.552 41.552 41.668 -0.116 17742 9945 1 15 . 1 1 45 45 LEU H H 375 7.903 7.903 8.451 -0.548 17742 9946 1 15 . 1 1 46 46 TRP N N 376 121.466 121.466 120.688 0.778 17742 9947 1 15 . 1 1 46 46 TRP HA H 376 4.089 4.089 3.706 0.383 17742 9948 1 15 . 1 1 46 46 TRP C C 376 177.939 177.939 178.603 -0.664 17742 9949 1 15 . 1 1 46 46 TRP CA C 376 60.022 60.022 61.112 -1.091 17742 9950 1 15 . 1 1 46 46 TRP CB C 376 28.817 28.817 29.253 -0.436 17742 9951 1 15 . 1 1 46 46 TRP H H 376 8.633 8.633 8.215 0.418 17742 9952 1 15 . 1 1 47 47 GLY N N 377 105.142 105.142 105.815 -0.673 17742 9953 1 15 . 1 1 47 47 GLY C C 377 176.128 176.128 175.642 0.486 17742 9954 1 15 . 1 1 47 47 GLY CA C 377 48.035 48.035 47.186 0.849 17742 9955 1 15 . 1 1 47 47 GLY H H 377 8.828 8.828 9.088 -0.260 17742 9956 1 15 . 1 1 48 48 ASN N N 378 120.327 120.327 120.032 0.295 17742 9957 1 15 . 1 1 48 48 ASN HA H 378 4.402 4.402 4.404 -0.002 17742 9958 1 15 . 1 1 48 48 ASN C C 378 178.625 178.625 176.804 1.821 17742 9959 1 15 . 1 1 48 48 ASN CA C 378 56.231 56.231 55.587 0.645 17742 9960 1 15 . 1 1 48 48 ASN CB C 378 38.132 38.132 38.517 -0.385 17742 9961 1 15 . 1 1 48 48 ASN H H 378 8.212 8.212 8.057 0.155 17742 9962 1 15 . 1 1 49 49 HIS N N 379 121.871 121.871 117.946 3.925 17742 9963 1 15 . 1 1 49 49 HIS HA H 379 4.205 4.205 4.448 -0.243 17742 9964 1 15 . 1 1 49 49 HIS C C 379 176.086 176.086 176.474 -0.388 17742 9965 1 15 . 1 1 49 49 HIS CA C 379 59.390 59.390 57.951 1.439 17742 9966 1 15 . 1 1 49 49 HIS CB C 379 29.564 29.564 30.216 -0.652 17742 9967 1 15 . 1 1 49 49 HIS H H 379 8.094 8.094 7.402 0.693 17742 9968 1 15 . 1 1 50 50 LYS N N 380 115.181 115.181 118.216 -3.035 17742 9969 1 15 . 1 1 50 50 LYS HA H 380 3.911 3.911 4.089 -0.178 17742 9970 1 15 . 1 1 50 50 LYS C C 380 175.348 175.348 174.877 0.471 17742 9971 1 15 . 1 1 50 50 LYS CA C 380 53.632 53.632 54.406 -0.774 17742 9972 1 15 . 1 1 50 50 LYS CB C 380 30.742 30.742 30.808 -0.066 17742 9973 1 15 . 1 1 50 50 LYS H H 380 7.482 7.482 7.661 -0.179 17742 9974 1 15 . 1 1 51 51 ASN N N 381 116.362 116.362 113.377 2.985 17742 9975 1 15 . 1 1 51 51 ASN HA H 381 4.259 4.259 4.106 0.153 17742 9976 1 15 . 1 1 51 51 ASN C C 381 174.400 174.400 174.383 0.017 17742 9977 1 15 . 1 1 51 51 ASN CA C 381 54.312 54.312 53.952 0.360 17742 9978 1 15 . 1 1 51 51 ASN CB C 381 37.272 37.272 36.526 0.746 17742 9979 1 15 . 1 1 51 51 ASN H H 381 7.753 7.753 7.703 0.050 17742 9980 1 15 . 1 1 52 52 ARG N N 382 117.723 117.723 119.467 -1.744 17742 9981 1 15 . 1 1 52 52 ARG HA H 382 4.658 4.658 4.543 0.115 17742 9982 1 15 . 1 1 52 52 ARG C C 382 176.209 176.209 177.299 -1.090 17742 9983 1 15 . 1 1 52 52 ARG CA C 382 53.668 53.668 55.092 -1.424 17742 9984 1 15 . 1 1 52 52 ARG CB C 382 32.212 32.212 30.460 1.752 17742 9985 1 15 . 1 1 52 52 ARG H H 382 8.476 8.476 8.185 0.291 17742 9986 1 15 . 1 1 53 53 THR N N 383 114.109 114.109 117.650 -3.541 17742 9987 1 15 . 1 1 53 53 THR HA H 383 4.221 4.221 4.278 -0.057 17742 9988 1 15 . 1 1 53 53 THR C C 383 174.644 174.644 175.190 -0.546 17742 9989 1 15 . 1 1 53 53 THR CA C 383 62.187 62.187 63.824 -1.637 17742 9990 1 15 . 1 1 53 53 THR CB C 383 69.710 69.710 69.474 0.236 17742 9991 1 15 . 1 1 53 53 THR H H 383 8.333 8.333 9.156 -0.823 17742 9992 1 15 . 1 1 54 54 ASN N N 384 118.768 118.768 121.260 -2.492 17742 9993 1 15 . 1 1 54 54 ASN HA H 384 4.609 4.609 4.814 -0.205 17742 9994 1 15 . 1 1 54 54 ASN C C 384 174.975 174.975 174.074 0.901 17742 9995 1 15 . 1 1 54 54 ASN CA C 384 53.193 53.193 52.266 0.928 17742 9996 1 15 . 1 1 54 54 ASN CB C 384 37.632 37.632 37.272 0.360 17742 9997 1 15 . 1 1 54 54 ASN H H 384 8.521 8.521 8.106 0.415 17742 9998 1 15 . 1 1 55 55 MET N N 385 119.621 119.621 121.966 -2.345 17742 9999 1 15 . 1 1 55 55 MET HA H 385 4.566 4.566 4.932 -0.366 17742 10000 1 15 . 1 1 55 55 MET C C 385 175.078 175.078 174.647 0.431 17742 10001 1 15 . 1 1 55 55 MET CA C 385 55.298 55.298 55.164 0.134 17742 10002 1 15 . 1 1 55 55 MET CB C 385 31.244 31.244 35.043 -3.799 17742 10003 1 15 . 1 1 55 55 MET H H 385 8.162 8.162 7.389 0.773 17742 10004 1 15 . 1 1 56 56 THR N N 386 113.114 113.114 117.349 -4.235 17742 10005 1 15 . 1 1 56 56 THR HA H 386 4.824 4.824 4.573 0.251 17742 10006 1 15 . 1 1 56 56 THR C C 386 175.549 175.549 174.575 0.974 17742 10007 1 15 . 1 1 56 56 THR CA C 386 59.060 59.060 61.498 -2.438 17742 10008 1 15 . 1 1 56 56 THR CB C 386 72.290 72.290 72.030 0.260 17742 10009 1 15 . 1 1 56 56 THR H H 386 7.031 7.031 7.991 -0.960 17742 10010 1 15 . 1 1 57 57 TYR N N 387 123.401 123.401 123.974 -0.573 17742 10011 1 15 . 1 1 57 57 TYR HA H 387 4.134 4.134 4.148 -0.014 17742 10012 1 15 . 1 1 57 57 TYR C C 387 177.304 177.304 176.985 0.319 17742 10013 1 15 . 1 1 57 57 TYR CA C 387 62.300 62.300 62.827 -0.527 17742 10014 1 15 . 1 1 57 57 TYR CB C 387 37.359 37.359 38.819 -1.460 17742 10015 1 15 . 1 1 57 57 TYR H H 387 9.691 9.691 9.018 0.673 17742 10016 1 15 . 1 1 58 58 GLU N N 388 120.999 120.999 117.527 3.472 17742 10017 1 15 . 1 1 58 58 GLU HA H 388 3.823 3.823 4.127 -0.304 17742 10018 1 15 . 1 1 58 58 GLU C C 388 179.213 179.213 178.654 0.559 17742 10019 1 15 . 1 1 58 58 GLU CA C 388 60.477 60.477 60.130 0.347 17742 10020 1 15 . 1 1 58 58 GLU CB C 388 28.895 28.895 28.663 0.232 17742 10021 1 15 . 1 1 58 58 GLU H H 388 8.838 8.838 9.010 -0.172 17742 10022 1 15 . 1 1 59 59 LYS N N 389 118.962 118.962 116.679 2.283 17742 10023 1 15 . 1 1 59 59 LYS HA H 389 3.939 3.939 4.187 -0.248 17742 10024 1 15 . 1 1 59 59 LYS C C 389 178.797 178.797 178.773 0.024 17742 10025 1 15 . 1 1 59 59 LYS CA C 389 60.065 60.065 58.586 1.480 17742 10026 1 15 . 1 1 59 59 LYS CB C 389 33.378 33.378 32.528 0.850 17742 10027 1 15 . 1 1 59 59 LYS H H 389 7.506 7.506 7.283 0.223 17742 10028 1 15 . 1 1 60 60 MET N N 390 120.087 120.087 119.311 0.776 17742 10029 1 15 . 1 1 60 60 MET HA H 390 3.869 3.869 4.061 -0.192 17742 10030 1 15 . 1 1 60 60 MET C C 390 178.146 178.146 177.482 0.664 17742 10031 1 15 . 1 1 60 60 MET CA C 390 59.776 59.776 58.172 1.604 17742 10032 1 15 . 1 1 60 60 MET CB C 390 33.462 33.462 32.732 0.730 17742 10033 1 15 . 1 1 60 60 MET H H 390 8.051 8.051 7.846 0.205 17742 10034 1 15 . 1 1 61 61 SER N N 391 114.537 114.537 115.113 -0.576 17742 10035 1 15 . 1 1 61 61 SER HA H 391 3.786 3.786 3.857 -0.071 17742 10036 1 15 . 1 1 61 61 SER C C 391 176.380 176.380 176.020 0.360 17742 10037 1 15 . 1 1 61 61 SER CA C 391 61.600 61.600 60.670 0.930 17742 10038 1 15 . 1 1 61 61 SER CB C 391 62.251 62.251 62.952 -0.701 17742 10039 1 15 . 1 1 61 61 SER H H 391 8.853 8.853 8.568 0.285 17742 10040 1 15 . 1 1 62 62 ARG N N 392 122.214 122.214 121.362 0.852 17742 10041 1 15 . 1 1 62 62 ARG HA H 392 3.928 3.928 4.047 -0.119 17742 10042 1 15 . 1 1 62 62 ARG C C 392 178.732 178.732 178.087 0.645 17742 10043 1 15 . 1 1 62 62 ARG CA C 392 59.490 59.490 58.552 0.938 17742 10044 1 15 . 1 1 62 62 ARG CB C 392 30.207 30.207 29.431 0.776 17742 10045 1 15 . 1 1 62 62 ARG H H 392 7.471 7.471 7.590 -0.119 17742 10046 1 15 . 1 1 63 63 ALA N N 393 121.091 121.091 121.133 -0.042 17742 10047 1 15 . 1 1 63 63 ALA HA H 393 4.162 4.162 4.164 -0.002 17742 10048 1 15 . 1 1 63 63 ALA C C 393 179.699 179.699 179.302 0.397 17742 10049 1 15 . 1 1 63 63 ALA CA C 393 54.722 54.722 54.301 0.421 17742 10050 1 15 . 1 1 63 63 ALA CB C 393 18.154 18.154 18.283 -0.129 17742 10051 1 15 . 1 1 63 63 ALA H H 393 7.376 7.376 7.232 0.144 17742 10052 1 15 . 1 1 64 64 LEU N N 394 117.568 117.568 118.821 -1.253 17742 10053 1 15 . 1 1 64 64 LEU HA H 394 3.777 3.777 2.969 0.808 17742 10054 1 15 . 1 1 64 64 LEU C C 394 178.085 178.085 178.138 -0.053 17742 10055 1 15 . 1 1 64 64 LEU CA C 394 58.075 58.075 56.534 1.541 17742 10056 1 15 . 1 1 64 64 LEU CB C 394 41.052 41.052 41.078 -0.026 17742 10057 1 15 . 1 1 64 64 LEU H H 394 7.853 7.853 6.975 0.878 17742 10058 1 15 . 1 1 65 65 ARG N N 395 116.111 116.111 118.537 -2.426 17742 10059 1 15 . 1 1 65 65 ARG HA H 395 3.529 3.529 3.902 -0.373 17742 10060 1 15 . 1 1 65 65 ARG C C 395 179.519 179.519 178.532 0.987 17742 10061 1 15 . 1 1 65 65 ARG CA C 395 59.133 59.133 58.730 0.403 17742 10062 1 15 . 1 1 65 65 ARG CB C 395 30.004 30.004 29.399 0.605 17742 10063 1 15 . 1 1 65 65 ARG H H 395 7.521 7.521 7.981 -0.460 17742 10064 1 15 . 1 1 66 66 HIS N N 396 118.081 118.081 116.618 1.463 17742 10065 1 15 . 1 1 66 66 HIS HA H 396 4.436 4.436 4.484 -0.048 17742 10066 1 15 . 1 1 66 66 HIS C C 396 177.826 177.826 177.796 0.030 17742 10067 1 15 . 1 1 66 66 HIS CA C 396 59.063 59.063 59.569 -0.506 17742 10068 1 15 . 1 1 66 66 HIS CB C 396 30.154 30.154 30.148 0.005 17742 10069 1 15 . 1 1 66 66 HIS H H 396 7.241 7.241 7.642 -0.401 17742 10070 1 15 . 1 1 67 67 TYR N N 397 116.301 116.301 119.387 -3.086 17742 10071 1 15 . 1 1 67 67 TYR HA H 397 4.128 4.128 4.255 -0.127 17742 10072 1 15 . 1 1 67 67 TYR C C 397 179.075 179.075 178.008 1.067 17742 10073 1 15 . 1 1 67 67 TYR CA C 397 61.525 61.525 58.871 2.654 17742 10074 1 15 . 1 1 67 67 TYR CB C 397 37.522 37.522 36.545 0.977 17742 10075 1 15 . 1 1 67 67 TYR H H 397 7.532 7.532 7.617 -0.085 17742 10076 1 15 . 1 1 68 68 TYR N N 398 121.389 121.389 117.899 3.490 17742 10077 1 15 . 1 1 68 68 TYR HA H 398 5.474 5.474 4.718 0.756 17742 10078 1 15 . 1 1 68 68 TYR C C 398 172.285 172.285 178.045 -5.760 17742 10079 1 15 . 1 1 68 68 TYR CA C 398 57.651 57.651 59.626 -1.975 17742 10080 1 15 . 1 1 68 68 TYR CB C 398 37.055 37.055 37.555 -0.500 17742 10081 1 15 . 1 1 68 68 TYR H H 398 8.061 8.061 7.479 0.582 17742 10082 1 15 . 1 1 69 69 LYS N N 399 121.098 121.098 117.629 3.469 17742 10083 1 15 . 1 1 69 69 LYS HA H 399 4.125 4.125 4.261 -0.136 17742 10084 1 15 . 1 1 69 69 LYS C C 399 178.122 178.122 178.188 -0.066 17742 10085 1 15 . 1 1 69 69 LYS CA C 399 58.801 58.801 56.715 2.086 17742 10086 1 15 . 1 1 69 69 LYS CB C 399 32.242 32.242 32.238 0.004 17742 10087 1 15 . 1 1 69 69 LYS H H 399 7.799 7.799 7.732 0.067 17742 10088 1 15 . 1 1 70 70 LEU N N 400 116.117 116.117 117.545 -1.428 17742 10089 1 15 . 1 1 70 70 LEU HA H 400 4.312 4.312 4.357 -0.045 17742 10090 1 15 . 1 1 70 70 LEU C C 400 175.903 175.903 176.422 -0.519 17742 10091 1 15 . 1 1 70 70 LEU CA C 400 54.642 54.642 55.054 -0.412 17742 10092 1 15 . 1 1 70 70 LEU CB C 400 42.796 42.796 42.013 0.783 17742 10093 1 15 . 1 1 70 70 LEU H H 400 7.257 7.257 7.886 -0.629 17742 10094 1 15 . 1 1 71 71 ASN N N 401 115.181 115.181 114.673 0.508 17742 10095 1 15 . 1 1 71 71 ASN HA H 401 4.368 4.368 4.379 -0.011 17742 10096 1 15 . 1 1 71 71 ASN C C 401 173.597 173.597 175.459 -1.862 17742 10097 1 15 . 1 1 71 71 ASN CA C 401 54.622 54.622 54.232 0.390 17742 10098 1 15 . 1 1 71 71 ASN CB C 401 37.252 37.252 37.176 0.076 17742 10099 1 15 . 1 1 71 71 ASN H H 401 8.061 8.061 7.588 0.473 17742 10100 1 15 . 1 1 72 72 ILE N N 402 114.031 114.031 118.528 -4.497 17742 10101 1 15 . 1 1 72 72 ILE HA H 402 4.128 4.128 3.940 0.188 17742 10102 1 15 . 1 1 72 72 ILE C C 402 176.467 176.467 175.419 1.048 17742 10103 1 15 . 1 1 72 72 ILE CA C 402 63.720 63.720 64.779 -1.059 17742 10104 1 15 . 1 1 72 72 ILE CB C 402 40.491 40.491 39.225 1.266 17742 10105 1 15 . 1 1 72 72 ILE H H 402 8.104 8.104 8.226 -0.122 17742 10106 1 15 . 1 1 73 73 ILE N N 403 116.973 116.973 117.378 -0.405 17742 10107 1 15 . 1 1 73 73 ILE HA H 403 5.014 5.014 5.195 -0.181 17742 10108 1 15 . 1 1 73 73 ILE C C 403 174.039 174.039 174.083 -0.044 17742 10109 1 15 . 1 1 73 73 ILE CA C 403 59.357 59.357 59.521 -0.164 17742 10110 1 15 . 1 1 73 73 ILE CB C 403 43.362 43.362 41.306 2.056 17742 10111 1 15 . 1 1 73 73 ILE H H 403 7.099 7.099 7.572 -0.473 17742 10112 1 15 . 1 1 74 74 ARG N N 404 123.639 123.639 126.646 -3.007 17742 10113 1 15 . 1 1 74 74 ARG HA H 404 4.771 4.771 4.918 -0.147 17742 10114 1 15 . 1 1 74 74 ARG C C 404 174.917 174.917 174.476 0.441 17742 10115 1 15 . 1 1 74 74 ARG CA C 404 54.261 54.261 53.861 0.400 17742 10116 1 15 . 1 1 74 74 ARG CB C 404 34.689 34.689 33.963 0.726 17742 10117 1 15 . 1 1 74 74 ARG H H 404 8.983 8.983 8.337 0.646 17742 10118 1 15 . 1 1 75 75 LYS N N 405 125.665 125.665 121.358 4.307 17742 10119 1 15 . 1 1 75 75 LYS HA H 405 4.071 4.071 4.734 -0.663 17742 10120 1 15 . 1 1 75 75 LYS C C 405 176.525 176.525 176.259 0.266 17742 10121 1 15 . 1 1 75 75 LYS CA C 405 56.470 56.470 55.530 0.940 17742 10122 1 15 . 1 1 75 75 LYS CB C 405 32.649 32.649 33.357 -0.708 17742 10123 1 15 . 1 1 75 75 LYS H H 405 8.263 8.263 8.376 -0.113 17742 10124 1 15 . 1 1 76 76 GLU N N 406 128.072 128.072 124.392 3.680 17742 10125 1 15 . 1 1 76 76 GLU HA H 406 4.432 4.432 4.383 0.049 17742 10126 1 15 . 1 1 76 76 GLU CA C 406 53.747 53.747 54.073 -0.326 17742 10127 1 15 . 1 1 76 76 GLU CB C 406 29.914 29.914 29.197 0.717 17742 10128 1 15 . 1 1 76 76 GLU H H 406 8.024 8.024 8.345 -0.321 17742 10129 1 15 . 1 1 77 77 PRO HA H 407 4.282 4.282 4.297 -0.015 17742 10130 1 15 . 1 1 77 77 PRO C C 407 177.719 177.719 177.249 0.470 17742 10131 1 15 . 1 1 77 77 PRO CA C 407 63.407 63.407 64.137 -0.730 17742 10132 1 15 . 1 1 77 77 PRO CB C 407 32.184 32.184 31.478 0.706 17742 10133 1 15 . 1 1 78 78 GLY N N 408 109.716 109.716 113.382 -3.666 17742 10134 1 15 . 1 1 78 78 GLY C C 408 174.053 174.053 174.606 -0.553 17742 10135 1 15 . 1 1 78 78 GLY CA C 408 45.519 45.519 45.202 0.317 17742 10136 1 15 . 1 1 78 78 GLY H H 408 8.531 8.531 8.384 0.147 17742 10137 1 15 . 1 1 79 79 GLN N N 409 116.964 116.964 119.299 -2.335 17742 10138 1 15 . 1 1 79 79 GLN HA H 409 4.488 4.488 4.617 -0.129 17742 10139 1 15 . 1 1 79 79 GLN C C 409 175.390 175.390 176.036 -0.646 17742 10140 1 15 . 1 1 79 79 GLN CA C 409 54.359 54.359 54.674 -0.315 17742 10141 1 15 . 1 1 79 79 GLN CB C 409 31.202 31.202 30.521 0.681 17742 10142 1 15 . 1 1 79 79 GLN H H 409 7.559 7.559 7.787 -0.228 17742 10143 1 15 . 1 1 80 80 ARG N N 410 120.457 120.457 121.195 -0.738 17742 10144 1 15 . 1 1 80 80 ARG HA H 410 4.262 4.262 4.227 0.035 17742 10145 1 15 . 1 1 80 80 ARG C C 410 176.270 176.270 177.319 -1.049 17742 10146 1 15 . 1 1 80 80 ARG CA C 410 56.821 56.821 57.364 -0.543 17742 10147 1 15 . 1 1 80 80 ARG CB C 410 31.502 31.502 29.514 1.988 17742 10148 1 15 . 1 1 80 80 ARG H H 410 8.251 8.251 8.613 -0.362 17742 10149 1 15 . 1 1 81 81 LEU N N 411 119.348 119.348 120.231 -0.883 17742 10150 1 15 . 1 1 81 81 LEU HA H 411 4.023 4.023 4.400 -0.377 17742 10151 1 15 . 1 1 81 81 LEU C C 411 173.279 173.279 175.283 -2.004 17742 10152 1 15 . 1 1 81 81 LEU CA C 411 55.030 55.030 53.641 1.389 17742 10153 1 15 . 1 1 81 81 LEU CB C 411 40.335 40.335 41.148 -0.813 17742 10154 1 15 . 1 1 81 81 LEU H H 411 8.435 8.435 8.180 0.255 17742 10155 1 15 . 1 1 82 82 LEU N N 412 119.070 119.070 121.741 -2.671 17742 10156 1 15 . 1 1 82 82 LEU HA H 412 5.013 5.013 4.282 0.731 17742 10157 1 15 . 1 1 82 82 LEU C C 412 175.361 175.361 175.673 -0.312 17742 10158 1 15 . 1 1 82 82 LEU CA C 412 53.212 53.212 54.044 -0.832 17742 10159 1 15 . 1 1 82 82 LEU CB C 412 45.471 45.471 41.222 4.249 17742 10160 1 15 . 1 1 82 82 LEU H H 412 6.751 6.751 7.394 -0.643 17742 10161 1 15 . 1 1 83 83 PHE N N 413 122.184 122.184 124.985 -2.801 17742 10162 1 15 . 1 1 83 83 PHE HA H 413 4.865 4.865 5.458 -0.593 17742 10163 1 15 . 1 1 83 83 PHE C C 413 172.849 172.849 174.755 -1.906 17742 10164 1 15 . 1 1 83 83 PHE CA C 413 55.921 55.921 54.258 1.663 17742 10165 1 15 . 1 1 83 83 PHE CB C 413 44.569 44.569 42.565 2.004 17742 10166 1 15 . 1 1 83 83 PHE H H 413 8.661 8.661 8.898 -0.237 17742 10167 1 15 . 1 1 84 84 ARG N N 414 119.461 119.461 119.849 -0.388 17742 10168 1 15 . 1 1 84 84 ARG HA H 414 5.581 5.581 5.235 0.346 17742 10169 1 15 . 1 1 84 84 ARG C C 414 177.641 177.641 174.910 2.731 17742 10170 1 15 . 1 1 84 84 ARG CA C 414 54.239 54.239 55.520 -1.281 17742 10171 1 15 . 1 1 84 84 ARG CB C 414 36.198 36.198 33.837 2.361 17742 10172 1 15 . 1 1 84 84 ARG H H 414 9.098 9.098 8.866 0.232 17742 10173 1 15 . 1 1 85 85 PHE N N 415 124.274 124.274 128.031 -3.757 17742 10174 1 15 . 1 1 85 85 PHE HA H 415 5.027 5.027 5.151 -0.124 17742 10175 1 15 . 1 1 85 85 PHE C C 415 176.117 176.117 176.087 0.030 17742 10176 1 15 . 1 1 85 85 PHE CA C 415 59.657 59.657 59.025 0.632 17742 10177 1 15 . 1 1 85 85 PHE CB C 415 40.819 40.819 38.284 2.535 17742 10178 1 15 . 1 1 85 85 PHE H H 415 8.928 8.928 9.550 -0.622 17742 10179 1 15 . 1 1 86 86 MET N N 416 121.081 121.081 121.968 -0.887 17742 10180 1 15 . 1 1 86 86 MET HA H 416 4.656 4.656 4.306 0.350 17742 10181 1 15 . 1 1 86 86 MET C C 416 176.444 176.444 176.344 0.100 17742 10182 1 15 . 1 1 86 86 MET CA C 416 54.681 54.681 57.795 -3.114 17742 10183 1 15 . 1 1 86 86 MET CB C 416 31.698 31.698 32.888 -1.190 17742 10184 1 15 . 1 1 86 86 MET H H 416 8.676 8.676 8.493 0.183 17742 10185 1 15 . 1 1 87 87 LYS N N 417 117.772 117.772 113.756 4.016 17742 10186 1 15 . 1 1 87 87 LYS HA H 417 4.899 4.899 4.635 0.264 17742 10187 1 15 . 1 1 87 87 LYS C C 417 175.621 175.621 174.976 0.645 17742 10188 1 15 . 1 1 87 87 LYS CA C 417 54.522 54.522 54.692 -0.170 17742 10189 1 15 . 1 1 87 87 LYS CB C 417 37.905 37.905 35.424 2.481 17742 10190 1 15 . 1 1 87 87 LYS H H 417 7.624 7.624 7.385 0.239 17742 10191 1 15 . 1 1 88 88 THR N N 418 112.426 112.426 110.596 1.830 17742 10192 1 15 . 1 1 88 88 THR HA H 418 4.372 4.372 4.389 -0.017 17742 10193 1 15 . 1 1 88 88 THR CA C 418 59.786 59.786 58.491 1.295 17742 10194 1 15 . 1 1 88 88 THR CB C 418 68.040 68.040 68.810 -0.770 17742 10195 1 15 . 1 1 88 88 THR H H 418 8.787 8.787 9.018 -0.231 17742 10196 1 15 . 1 1 89 89 PRO HA H 419 3.654 3.654 3.062 0.592 17742 10197 1 15 . 1 1 89 89 PRO C C 419 177.412 177.412 178.538 -1.126 17742 10198 1 15 . 1 1 89 89 PRO CA C 419 65.712 65.712 66.158 -0.446 17742 10199 1 15 . 1 1 89 89 PRO CB C 419 31.762 31.762 31.644 0.118 17742 10200 1 15 . 1 1 90 90 ASP N N 420 114.221 114.221 114.257 -0.036 17742 10201 1 15 . 1 1 90 90 ASP HA H 420 4.224 4.224 4.317 -0.093 17742 10202 1 15 . 1 1 90 90 ASP C C 420 178.341 178.341 177.234 1.107 17742 10203 1 15 . 1 1 90 90 ASP CA C 420 56.657 56.657 56.533 0.124 17742 10204 1 15 . 1 1 90 90 ASP CB C 420 40.642 40.642 40.594 0.048 17742 10205 1 15 . 1 1 90 90 ASP H H 420 7.958 7.958 8.437 -0.479 17742 10206 1 15 . 1 1 91 91 GLU N N 421 119.443 119.443 116.866 2.577 17742 10207 1 15 . 1 1 91 91 GLU HA H 421 4.006 4.006 4.076 -0.070 17742 10208 1 15 . 1 1 91 91 GLU C C 421 179.238 179.238 178.725 0.513 17742 10209 1 15 . 1 1 91 91 GLU CA C 421 58.458 58.458 58.365 0.093 17742 10210 1 15 . 1 1 91 91 GLU CB C 421 30.774 30.774 29.991 0.783 17742 10211 1 15 . 1 1 91 91 GLU H H 421 7.628 7.628 7.543 0.085 17742 10212 1 15 . 1 1 92 92 ILE N N 422 120.617 120.617 121.058 -0.441 17742 10213 1 15 . 1 1 92 92 ILE HA H 422 3.589 3.589 3.533 0.056 17742 10214 1 15 . 1 1 92 92 ILE C C 422 178.124 178.124 176.883 1.241 17742 10215 1 15 . 1 1 92 92 ILE CA C 422 63.878 63.878 64.767 -0.889 17742 10216 1 15 . 1 1 92 92 ILE CB C 422 38.142 38.142 37.600 0.542 17742 10217 1 15 . 1 1 92 92 ILE H H 422 7.896 7.896 7.654 0.242 17742 10218 1 15 . 1 1 93 93 MET N N 423 117.857 117.857 115.435 2.422 17742 10219 1 15 . 1 1 93 93 MET HA H 423 4.365 4.365 4.333 0.032 17742 10220 1 15 . 1 1 93 93 MET C C 423 177.009 177.009 176.687 0.322 17742 10221 1 15 . 1 1 93 93 MET CA C 423 56.527 56.527 57.209 -0.682 17742 10222 1 15 . 1 1 93 93 MET CB C 423 32.617 32.617 32.295 0.322 17742 10223 1 15 . 1 1 93 93 MET H H 423 8.161 8.161 7.877 0.284 17742 10224 1 15 . 1 1 94 94 SER N N 424 114.591 114.591 113.457 1.134 17742 10225 1 15 . 1 1 94 94 SER HA H 424 4.406 4.406 4.394 0.012 17742 10226 1 15 . 1 1 94 94 SER C C 424 175.262 175.262 174.832 0.430 17742 10227 1 15 . 1 1 94 94 SER CA C 424 59.482 59.482 58.613 0.869 17742 10228 1 15 . 1 1 94 94 SER CB C 424 63.466 63.466 63.253 0.213 17742 10229 1 15 . 1 1 94 94 SER H H 424 7.744 7.744 7.487 0.257 17742 10230 1 15 . 1 1 95 95 GLY N N 425 109.590 109.590 107.155 2.435 17742 10231 1 15 . 1 1 95 95 GLY C C 425 174.197 174.197 174.775 -0.578 17742 10232 1 15 . 1 1 95 95 GLY CA C 425 45.122 45.122 45.301 -0.179 17742 10233 1 15 . 1 1 95 95 GLY H H 425 7.970 7.970 7.463 0.507 17742 10234 1 15 . 1 1 96 96 ARG N N 426 119.792 119.792 118.353 1.439 17742 10235 1 15 . 1 1 96 96 ARG HA H 426 4.567 4.567 4.808 -0.241 17742 10236 1 15 . 1 1 96 96 ARG C C 426 177.866 177.866 177.183 0.683 17742 10237 1 15 . 1 1 96 96 ARG CA C 426 55.757 55.757 54.993 0.764 17742 10238 1 15 . 1 1 96 96 ARG CB C 426 30.059 30.059 31.060 -1.001 17742 10239 1 15 . 1 1 96 96 ARG H H 426 8.144 8.144 7.995 0.149 17742 10240 1 15 . 1 1 97 97 THR N N 427 114.770 114.770 113.478 1.292 17742 10241 1 15 . 1 1 97 97 THR HA H 427 4.221 4.221 4.281 -0.060 17742 10242 1 15 . 1 1 97 97 THR C C 427 175.449 175.449 175.168 0.281 17742 10243 1 15 . 1 1 97 97 THR CA C 427 63.411 63.411 65.851 -2.440 17742 10244 1 15 . 1 1 97 97 THR CB C 427 69.080 69.080 68.356 0.724 17742 10245 1 15 . 1 1 97 97 THR H H 427 8.427 8.427 7.847 0.580 17742 10246 1 15 . 1 1 98 98 ASP N N 428 122.017 122.017 121.661 0.356 17742 10247 1 15 . 1 1 98 98 ASP HA H 428 4.404 4.404 4.409 -0.005 17742 10248 1 15 . 1 1 98 98 ASP C C 428 178.042 178.042 177.987 0.055 17742 10249 1 15 . 1 1 98 98 ASP CA C 428 56.438 56.438 56.775 -0.337 17742 10250 1 15 . 1 1 98 98 ASP CB C 428 40.012 40.012 39.571 0.441 17742 10251 1 15 . 1 1 98 98 ASP H H 428 8.659 8.659 8.731 -0.072 17742 10252 1 15 . 1 1 99 99 ARG N N 429 120.083 120.083 119.899 0.184 17742 10253 1 15 . 1 1 99 99 ARG HA H 429 4.190 4.190 4.193 -0.003 17742 10254 1 15 . 1 1 99 99 ARG C C 429 178.236 178.236 178.174 0.062 17742 10255 1 15 . 1 1 99 99 ARG CA C 429 58.307 58.307 58.699 -0.392 17742 10256 1 15 . 1 1 99 99 ARG CB C 429 30.073 30.073 30.387 -0.313 17742 10257 1 15 . 1 1 99 99 ARG H H 429 8.011 8.011 7.462 0.549 17742 10258 1 15 . 1 1 100 100 LEU N N 430 119.784 119.784 120.550 -0.766 17742 10259 1 15 . 1 1 100 100 LEU HA H 430 4.048 4.048 4.061 -0.013 17742 10260 1 15 . 1 1 100 100 LEU C C 430 178.209 178.209 179.032 -0.823 17742 10261 1 15 . 1 1 100 100 LEU CA C 430 57.535 57.535 57.910 -0.375 17742 10262 1 15 . 1 1 100 100 LEU CB C 430 42.218 42.218 41.751 0.467 17742 10263 1 15 . 1 1 100 100 LEU H H 430 7.667 7.667 7.531 0.136 17742 10264 1 15 . 1 1 101 101 GLU N N 431 119.434 119.434 117.856 1.578 17742 10265 1 15 . 1 1 101 101 GLU HA H 431 3.962 3.962 4.026 -0.064 17742 10266 1 15 . 1 1 101 101 GLU C C 431 178.773 178.773 179.172 -0.399 17742 10267 1 15 . 1 1 101 101 GLU CA C 431 59.470 59.470 59.491 -0.021 17742 10268 1 15 . 1 1 101 101 GLU CB C 431 29.667 29.667 29.213 0.454 17742 10269 1 15 . 1 1 101 101 GLU H H 431 8.339 8.339 8.761 -0.422 17742 10270 1 15 . 1 1 102 102 HIS N N 432 118.026 118.026 118.401 -0.375 17742 10271 1 15 . 1 1 102 102 HIS HA H 432 4.463 4.463 4.479 -0.016 17742 10272 1 15 . 1 1 102 102 HIS C C 432 177.322 177.322 177.582 -0.260 17742 10273 1 15 . 1 1 102 102 HIS CA C 432 58.432 58.432 58.523 -0.091 17742 10274 1 15 . 1 1 102 102 HIS CB C 432 29.237 29.237 30.367 -1.130 17742 10275 1 15 . 1 1 102 102 HIS H H 432 7.995 7.995 7.544 0.451 17742 10276 1 15 . 1 1 103 103 LEU N N 433 120.785 120.785 120.940 -0.155 17742 10277 1 15 . 1 1 103 103 LEU HA H 433 3.971 3.971 4.066 -0.095 17742 10278 1 15 . 1 1 103 103 LEU C C 433 179.014 179.014 178.256 0.758 17742 10279 1 15 . 1 1 103 103 LEU CA C 433 57.570 57.570 57.398 0.172 17742 10280 1 15 . 1 1 103 103 LEU CB C 433 41.606 41.606 41.330 0.276 17742 10281 1 15 . 1 1 103 103 LEU H H 433 8.077 8.077 8.043 0.034 17742 10282 1 15 . 1 1 104 104 GLU N N 434 119.107 119.107 119.601 -0.494 17742 10283 1 15 . 1 1 104 104 GLU HA H 434 4.025 4.025 3.927 0.098 17742 10284 1 15 . 1 1 104 104 GLU C C 434 178.187 178.187 179.195 -1.008 17742 10285 1 15 . 1 1 104 104 GLU CA C 434 60.221 60.221 60.218 0.004 17742 10286 1 15 . 1 1 104 104 GLU CB C 434 30.104 30.104 29.161 0.943 17742 10287 1 15 . 1 1 104 104 GLU H H 434 8.443 8.443 8.765 -0.322 17742 10288 1 15 . 1 1 105 105 SER N N 435 114.129 114.129 113.067 1.062 17742 10289 1 15 . 1 1 105 105 SER HA H 435 4.204 4.204 4.065 0.139 17742 10290 1 15 . 1 1 105 105 SER C C 435 175.924 175.924 175.661 0.263 17742 10291 1 15 . 1 1 105 105 SER CA C 435 61.303 61.303 60.939 0.364 17742 10292 1 15 . 1 1 105 105 SER CB C 435 63.070 63.070 63.037 0.033 17742 10293 1 15 . 1 1 105 105 SER H H 435 8.041 8.041 8.349 -0.308 17742 10294 1 15 . 1 1 106 106 GLN N N 436 120.201 120.201 118.915 1.286 17742 10295 1 15 . 1 1 106 106 GLN HA H 436 4.124 4.124 4.137 -0.013 17742 10296 1 15 . 1 1 106 106 GLN C C 436 178.242 178.242 178.234 0.008 17742 10297 1 15 . 1 1 106 106 GLN CA C 436 58.242 58.242 57.962 0.280 17742 10298 1 15 . 1 1 106 106 GLN CB C 436 29.001 29.001 29.372 -0.371 17742 10299 1 15 . 1 1 106 106 GLN H H 436 7.823 7.823 7.587 0.236 17742 10300 1 15 . 1 1 107 107 VAL N N 437 117.503 117.503 120.807 -3.304 17742 10301 1 15 . 1 1 107 107 VAL HA H 437 3.955 3.955 3.959 -0.004 17742 10302 1 15 . 1 1 107 107 VAL C C 437 177.462 177.462 177.100 0.362 17742 10303 1 15 . 1 1 107 107 VAL CA C 437 64.414 64.414 65.672 -1.258 17742 10304 1 15 . 1 1 107 107 VAL CB C 437 32.192 32.192 31.971 0.222 17742 10305 1 15 . 1 1 107 107 VAL H H 437 7.711 7.711 8.436 -0.725 17742 10306 1 15 . 1 1 108 108 LEU HA H 438 4.072 4.072 4.219 -0.147 17742 10307 1 15 . 1 1 108 108 LEU C C 438 177.614 177.614 177.442 0.172 17742 10308 1 15 . 1 1 108 108 LEU CA C 438 56.521 56.521 56.135 0.387 17742 10309 1 15 . 1 1 108 108 LEU CB C 438 42.149 42.149 41.387 0.762 17742 10310 1 15 . 1 1 109 109 ASP N N 439 118.500 118.500 116.745 1.755 17742 10311 1 15 . 1 1 109 109 ASP HA H 439 4.685 4.685 4.682 0.003 17742 10312 1 15 . 1 1 109 109 ASP C C 439 176.372 176.372 176.974 -0.602 17742 10313 1 15 . 1 1 109 109 ASP CA C 439 54.653 54.653 53.537 1.116 17742 10314 1 15 . 1 1 109 109 ASP CB C 439 41.425 41.425 41.159 0.266 17742 10315 1 15 . 1 1 109 109 ASP H H 439 7.872 7.872 7.346 0.526 17742 10316 1 15 . 1 1 110 110 GLU N N 440 120.701 120.701 118.867 1.834 17742 10317 1 15 . 1 1 110 110 GLU HA H 440 4.188 4.188 4.078 0.110 17742 10318 1 15 . 1 1 110 110 GLU C C 440 176.739 176.739 177.517 -0.778 17742 10319 1 15 . 1 1 110 110 GLU CA C 440 57.310 57.310 58.569 -1.259 17742 10320 1 15 . 1 1 110 110 GLU CB C 440 30.091 30.091 29.847 0.244 17742 10321 1 15 . 1 1 110 110 GLU H H 440 7.929 7.929 8.007 -0.078 17742 10322 1 15 . 1 1 111 111 GLN N N 441 120.829 120.829 117.490 3.339 17742 10323 1 15 . 1 1 111 111 GLN HA H 441 4.341 4.341 4.286 0.055 17742 10324 1 15 . 1 1 111 111 GLN C C 441 176.214 176.214 176.282 -0.068 17742 10325 1 15 . 1 1 111 111 GLN CA C 441 56.103 56.103 55.415 0.688 17742 10326 1 15 . 1 1 111 111 GLN CB C 441 29.607 29.607 28.984 0.623 17742 10327 1 15 . 1 1 111 111 GLN H H 441 8.434 8.434 8.208 0.226 17742 10328 1 15 . 1 1 112 112 THR N N 442 114.861 114.861 112.734 2.127 17742 10329 1 15 . 1 1 112 112 THR HA H 442 4.258 4.258 4.276 -0.018 17742 10330 1 15 . 1 1 112 112 THR C C 442 174.095 174.095 175.953 -1.858 17742 10331 1 15 . 1 1 112 112 THR CA C 442 62.140 62.140 61.544 0.597 17742 10332 1 15 . 1 1 112 112 THR CB C 442 69.870 69.870 69.323 0.547 17742 10333 1 15 . 1 1 112 112 THR H H 442 8.038 8.038 7.983 0.055 17742 10334 1 15 . 1 1 113 113 TYR N N 443 122.709 122.709 119.230 3.479 17742 10335 1 15 . 1 1 113 113 TYR HA H 443 4.552 4.552 4.377 0.175 17742 10336 1 15 . 1 1 113 113 TYR C C 443 175.303 175.303 174.933 0.370 17742 10337 1 15 . 1 1 113 113 TYR CA C 443 57.921 57.921 56.376 1.545 17742 10338 1 15 . 1 1 113 113 TYR CB C 443 38.982 38.982 36.180 2.802 17742 10339 1 15 . 1 1 113 113 TYR H H 443 8.171 8.171 8.703 -0.532 17742 10340 1 15 . 1 1 114 114 GLN N N 444 122.768 122.768 117.519 5.249 17742 10341 1 15 . 1 1 114 114 GLN HA H 444 4.284 4.284 3.766 0.518 17742 10342 1 15 . 1 1 114 114 GLN C C 444 175.372 175.372 175.318 0.054 17742 10343 1 15 . 1 1 114 114 GLN CA C 444 55.543 55.543 56.359 -0.816 17742 10344 1 15 . 1 1 114 114 GLN CB C 444 29.894 29.894 27.049 2.845 17742 10345 1 15 . 1 1 114 114 GLN H H 444 8.202 8.202 8.082 0.120 17742 10346 1 15 . 1 1 115 115 GLU N N 445 122.370 122.370 119.918 2.452 17742 10347 1 15 . 1 1 115 115 GLU HA H 445 4.225 4.225 2.992 1.233 17742 10348 1 15 . 1 1 115 115 GLU C C 445 176.058 176.058 175.501 0.557 17742 10349 1 15 . 1 1 115 115 GLU CA C 445 56.612 56.612 57.065 -0.453 17742 10350 1 15 . 1 1 115 115 GLU CB C 445 30.517 30.517 29.003 1.514 17742 10351 1 15 . 1 1 115 115 GLU H H 445 8.371 8.371 7.951 0.420 17742 10352 1 15 . 1 1 116 116 ASP N N 446 121.090 121.090 124.053 -2.963 17742 10353 1 15 . 1 1 116 116 ASP HA H 446 4.595 4.595 4.569 0.026 17742 10354 1 15 . 1 1 116 116 ASP C C 446 175.872 175.872 176.159 -0.287 17742 10355 1 15 . 1 1 116 116 ASP CA C 446 54.382 54.382 54.480 -0.098 17742 10356 1 15 . 1 1 116 116 ASP CB C 446 41.402 41.402 40.901 0.501 17742 10357 1 15 . 1 1 116 116 ASP H H 446 8.336 8.336 8.292 0.044 17742 10358 1 15 . 1 1 117 117 GLU N N 447 121.977 121.977 120.891 1.086 17742 10359 1 15 . 1 1 117 117 GLU HA H 447 4.575 4.575 4.666 -0.091 17742 10360 1 15 . 1 1 117 117 GLU CA C 447 54.442 54.442 54.159 0.283 17742 10361 1 15 . 1 1 117 117 GLU CB C 447 30.254 30.254 29.855 0.399 17742 10362 1 15 . 1 1 117 117 GLU H H 447 8.194 8.194 8.174 0.020 17742 10363 1 15 . 1 1 118 118 PRO HA H 448 4.461 4.461 4.411 0.050 17742 10364 1 15 . 1 1 118 118 PRO C C 448 177.160 177.160 176.167 0.993 17742 10365 1 15 . 1 1 118 118 PRO CA C 448 63.371 63.371 63.653 -0.282 17742 10366 1 15 . 1 1 118 118 PRO CB C 448 32.302 32.302 32.203 0.099 17742 10367 1 15 . 1 1 119 119 THR N N 449 114.788 114.788 117.879 -3.091 17742 10368 1 15 . 1 1 119 119 THR HA H 449 4.292 4.292 4.787 -0.495 17742 10369 1 15 . 1 1 119 119 THR C C 449 174.664 174.664 175.994 -1.330 17742 10370 1 15 . 1 1 119 119 THR CA C 449 62.117 62.117 59.350 2.767 17742 10371 1 15 . 1 1 119 119 THR CB C 449 69.861 69.861 70.935 -1.074 17742 10372 1 15 . 1 1 119 119 THR H H 449 8.235 8.235 8.062 0.173 17742 10373 1 15 . 1 1 120 120 ILE N N 450 123.074 123.074 122.189 0.885 17742 10374 1 15 . 1 1 120 120 ILE HA H 450 4.169 4.169 3.788 0.381 17742 10375 1 15 . 1 1 120 120 ILE C C 450 175.683 175.683 177.408 -1.725 17742 10376 1 15 . 1 1 120 120 ILE CA C 450 60.987 60.987 63.295 -2.308 17742 10377 1 15 . 1 1 120 120 ILE CB C 450 38.983 38.983 37.417 1.566 17742 10378 1 15 . 1 1 120 120 ILE H H 450 8.043 8.043 9.249 -1.206 17742 10379 1 15 . 1 1 121 121 ALA N N 451 128.011 128.011 121.606 6.405 17742 10380 1 15 . 1 1 121 121 ALA HA H 451 4.332 4.332 3.969 0.363 17742 10381 1 15 . 1 1 121 121 ALA C C 451 177.333 177.333 177.616 -0.283 17742 10382 1 15 . 1 1 121 121 ALA CA C 451 52.364 52.364 54.144 -1.780 17742 10383 1 15 . 1 1 121 121 ALA CB C 451 19.534 19.534 17.579 1.955 17742 10384 1 15 . 1 1 121 121 ALA H H 451 8.277 8.277 8.288 -0.011 17742 10385 1 15 . 1 1 122 122 SER N N 452 116.575 116.575 118.774 -2.199 17742 10386 1 15 . 1 1 122 122 SER HA H 452 4.672 4.672 4.669 0.003 17742 10387 1 15 . 1 1 122 122 SER CA C 452 56.230 56.230 56.652 -0.422 17742 10388 1 15 . 1 1 122 122 SER CB C 452 63.460 63.460 63.544 -0.084 17742 10389 1 15 . 1 1 122 122 SER H H 452 8.161 8.161 7.983 0.178 17742 10390 1 15 . 1 1 123 123 PRO HA H 453 4.395 4.395 4.184 0.211 17742 10391 1 15 . 1 1 123 123 PRO C C 453 176.993 176.993 176.143 0.850 17742 10392 1 15 . 1 1 123 123 PRO CA C 453 63.303 63.303 63.626 -0.322 17742 10393 1 15 . 1 1 123 123 PRO CB C 453 32.149 32.149 31.857 0.292 17742 10394 1 15 . 1 1 124 124 VAL N N 454 119.733 119.733 121.663 -1.930 17742 10395 1 15 . 1 1 124 124 VAL HA H 454 4.010 4.010 4.086 -0.076 17742 10396 1 15 . 1 1 124 124 VAL CA C 454 62.674 62.674 62.122 0.552 17742 10397 1 15 . 1 1 124 124 VAL CB C 454 32.669 32.669 32.911 -0.242 17742 10398 1 15 . 1 1 124 124 VAL H H 454 8.058 8.058 8.103 -0.045 17742 10399 1 15 . 1 1 125 125 GLY N N 455 111.901 111.901 106.384 5.517 17742 10400 1 15 . 1 1 125 125 GLY CA C 455 45.152 45.152 44.019 1.133 17742 10401 1 15 . 1 1 125 125 GLY H H 455 8.255 8.255 7.086 1.169 17742 10402 1 15 . 1 1 126 126 TRP N N 456 122.405 122.405 116.349 6.056 17742 10403 1 15 . 1 1 126 126 TRP HA H 456 4.929 4.929 4.300 0.629 17742 10404 1 15 . 1 1 126 126 TRP CA C 456 55.029 55.029 55.479 -0.450 17742 10405 1 15 . 1 1 126 126 TRP CB C 456 29.383 29.383 27.811 1.572 17742 10406 1 15 . 1 1 126 126 TRP H H 456 7.906 7.906 8.031 -0.125 17742 10407 1 15 . 1 1 127 127 PRO HA H 457 4.429 4.429 4.361 0.068 17742 10408 1 15 . 1 1 127 127 PRO C C 457 175.951 175.951 176.312 -0.361 17742 10409 1 15 . 1 1 127 127 PRO CA C 457 63.558 63.558 62.630 0.928 17742 10410 1 15 . 1 1 127 127 PRO CB C 457 31.932 31.932 32.504 -0.572 17742 10411 1 16 . 1 1 5 5 ARG N N 335 123.607 123.607 121.053 2.554 17742 10412 1 16 . 1 1 5 5 ARG HA H 335 4.382 4.382 4.548 -0.166 17742 10413 1 16 . 1 1 5 5 ARG CA C 335 56.926 56.926 56.303 0.623 17742 10414 1 16 . 1 1 5 5 ARG H H 335 9.161 9.161 8.594 0.567 17742 10415 1 16 . 1 1 6 6 LEU N N 336 122.412 122.412 119.429 2.983 17742 10416 1 16 . 1 1 6 6 LEU CB C 336 42.172 42.172 42.459 -0.287 17742 10417 1 16 . 1 1 6 6 LEU H H 336 8.775 8.775 7.510 1.265 17742 10418 1 16 . 1 1 7 7 LEU HA H 337 3.669 3.669 4.380 -0.711 17742 10419 1 16 . 1 1 7 7 LEU CA C 337 59.053 59.053 58.702 0.351 17742 10420 1 16 . 1 1 7 7 LEU CB C 337 40.447 40.447 42.055 -1.608 17742 10421 1 16 . 1 1 8 8 TRP N N 338 114.197 114.197 115.412 -1.215 17742 10422 1 16 . 1 1 8 8 TRP HA H 338 3.747 3.747 4.603 -0.856 17742 10423 1 16 . 1 1 8 8 TRP CA C 338 60.071 60.071 59.016 1.055 17742 10424 1 16 . 1 1 8 8 TRP CB C 338 28.481 28.481 28.555 -0.074 17742 10425 1 16 . 1 1 8 8 TRP H H 338 7.595 7.595 7.522 0.073 17742 10426 1 16 . 1 1 9 9 ASP HA H 339 3.648 3.648 4.687 -1.039 17742 10427 1 16 . 1 1 9 9 ASP C C 339 177.491 177.491 177.958 -0.467 17742 10428 1 16 . 1 1 9 9 ASP CA C 339 56.197 56.197 56.959 -0.762 17742 10429 1 16 . 1 1 9 9 ASP CB C 339 41.702 41.702 40.788 0.914 17742 10430 1 16 . 1 1 10 10 TYR N N 340 120.786 120.786 121.607 -0.821 17742 10431 1 16 . 1 1 10 10 TYR HA H 340 3.851 3.851 4.071 -0.220 17742 10432 1 16 . 1 1 10 10 TYR C C 340 177.016 177.016 177.445 -0.429 17742 10433 1 16 . 1 1 10 10 TYR CA C 340 61.921 61.921 60.890 1.031 17742 10434 1 16 . 1 1 10 10 TYR CB C 340 39.202 39.202 38.729 0.473 17742 10435 1 16 . 1 1 10 10 TYR H H 340 7.929 7.929 7.642 0.287 17742 10436 1 16 . 1 1 11 11 VAL N N 341 114.828 114.828 119.252 -4.424 17742 10437 1 16 . 1 1 11 11 VAL HA H 341 2.982 2.982 3.419 -0.437 17742 10438 1 16 . 1 1 11 11 VAL C C 341 176.795 176.795 177.108 -0.313 17742 10439 1 16 . 1 1 11 11 VAL CA C 341 66.855 66.855 66.087 0.768 17742 10440 1 16 . 1 1 11 11 VAL CB C 341 31.152 31.152 31.919 -0.767 17742 10441 1 16 . 1 1 11 11 VAL H H 341 8.291 8.291 8.465 -0.174 17742 10442 1 16 . 1 1 12 12 TYR N N 342 119.177 119.177 119.446 -0.269 17742 10443 1 16 . 1 1 12 12 TYR HA H 342 3.617 3.617 3.896 -0.279 17742 10444 1 16 . 1 1 12 12 TYR C C 342 178.765 178.765 176.672 2.093 17742 10445 1 16 . 1 1 12 12 TYR CA C 342 62.960 62.960 60.350 2.610 17742 10446 1 16 . 1 1 12 12 TYR CB C 342 38.232 38.232 38.138 0.094 17742 10447 1 16 . 1 1 12 12 TYR H H 342 7.712 7.712 7.798 -0.086 17742 10448 1 16 . 1 1 13 13 GLN N N 343 118.873 118.873 118.102 0.771 17742 10449 1 16 . 1 1 13 13 GLN HA H 343 3.833 3.833 3.849 -0.016 17742 10450 1 16 . 1 1 13 13 GLN C C 343 179.917 179.917 178.460 1.457 17742 10451 1 16 . 1 1 13 13 GLN CA C 343 58.821 58.821 58.128 0.693 17742 10452 1 16 . 1 1 13 13 GLN CB C 343 27.649 27.649 28.698 -1.049 17742 10453 1 16 . 1 1 13 13 GLN H H 343 8.076 8.076 7.532 0.544 17742 10454 1 16 . 1 1 14 14 LEU N N 344 121.381 121.381 120.384 0.997 17742 10455 1 16 . 1 1 14 14 LEU HA H 344 3.611 3.611 3.911 -0.300 17742 10456 1 16 . 1 1 14 14 LEU C C 344 179.861 179.861 179.086 0.775 17742 10457 1 16 . 1 1 14 14 LEU CA C 344 58.121 58.121 57.238 0.883 17742 10458 1 16 . 1 1 14 14 LEU CB C 344 41.382 41.382 41.594 -0.212 17742 10459 1 16 . 1 1 14 14 LEU H H 344 7.772 7.772 7.613 0.159 17742 10460 1 16 . 1 1 15 15 LEU N N 345 116.801 116.801 116.280 0.521 17742 10461 1 16 . 1 1 15 15 LEU HA H 345 3.513 3.513 4.012 -0.499 17742 10462 1 16 . 1 1 15 15 LEU C C 345 178.221 178.221 177.729 0.492 17742 10463 1 16 . 1 1 15 15 LEU CA C 345 56.568 56.568 56.448 0.120 17742 10464 1 16 . 1 1 15 15 LEU CB C 345 41.431 41.431 41.191 0.239 17742 10465 1 16 . 1 1 15 15 LEU H H 345 7.546 7.546 7.553 -0.007 17742 10466 1 16 . 1 1 16 16 SER N N 346 112.511 112.511 112.236 0.275 17742 10467 1 16 . 1 1 16 16 SER HA H 346 4.542 4.542 4.558 -0.016 17742 10468 1 16 . 1 1 16 16 SER C C 346 172.510 172.510 173.869 -1.359 17742 10469 1 16 . 1 1 16 16 SER CA C 346 58.891 58.891 57.914 0.976 17742 10470 1 16 . 1 1 16 16 SER CB C 346 63.993 63.993 63.605 0.388 17742 10471 1 16 . 1 1 16 16 SER H H 346 7.277 7.277 7.460 -0.183 17742 10472 1 16 . 1 1 17 17 ASP N N 347 122.234 122.234 121.603 0.631 17742 10473 1 16 . 1 1 17 17 ASP HA H 347 4.969 4.969 4.886 0.083 17742 10474 1 16 . 1 1 17 17 ASP C C 347 175.703 175.703 176.470 -0.767 17742 10475 1 16 . 1 1 17 17 ASP CA C 347 52.761 52.761 53.311 -0.550 17742 10476 1 16 . 1 1 17 17 ASP CB C 347 43.427 43.427 43.657 -0.230 17742 10477 1 16 . 1 1 17 17 ASP H H 347 7.353 7.353 7.594 -0.241 17742 10478 1 16 . 1 1 18 18 SER N N 348 120.139 120.139 120.151 -0.012 17742 10479 1 16 . 1 1 18 18 SER HA H 348 4.371 4.371 4.296 0.075 17742 10480 1 16 . 1 1 18 18 SER C C 348 176.259 176.259 176.329 -0.070 17742 10481 1 16 . 1 1 18 18 SER CA C 348 61.131 61.131 60.126 1.005 17742 10482 1 16 . 1 1 18 18 SER CB C 348 63.177 63.177 63.298 -0.121 17742 10483 1 16 . 1 1 18 18 SER H H 348 8.691 8.691 8.827 -0.136 17742 10484 1 16 . 1 1 19 19 ARG N N 349 122.716 122.716 123.054 -0.338 17742 10485 1 16 . 1 1 19 19 ARG HA H 349 4.114 4.114 3.869 0.245 17742 10486 1 16 . 1 1 19 19 ARG C C 349 178.154 178.154 178.177 -0.023 17742 10487 1 16 . 1 1 19 19 ARG CA C 349 58.531 58.531 58.818 -0.287 17742 10488 1 16 . 1 1 19 19 ARG CB C 349 29.794 29.794 29.666 0.128 17742 10489 1 16 . 1 1 19 19 ARG H H 349 8.586 8.586 8.359 0.227 17742 10490 1 16 . 1 1 20 20 TYR N N 350 116.201 116.201 116.494 -0.293 17742 10491 1 16 . 1 1 20 20 TYR HA H 350 4.883 4.883 4.785 0.098 17742 10492 1 16 . 1 1 20 20 TYR C C 350 177.029 177.029 176.108 0.921 17742 10493 1 16 . 1 1 20 20 TYR CA C 350 58.741 58.741 56.153 2.588 17742 10494 1 16 . 1 1 20 20 TYR CB C 350 37.642 37.642 36.333 1.309 17742 10495 1 16 . 1 1 20 20 TYR H H 350 8.291 8.291 7.341 0.950 17742 10496 1 16 . 1 1 21 21 GLU N N 351 120.803 120.803 119.515 1.288 17742 10497 1 16 . 1 1 21 21 GLU HA H 351 4.466 4.466 4.409 0.057 17742 10498 1 16 . 1 1 21 21 GLU C C 351 176.324 176.324 177.225 -0.901 17742 10499 1 16 . 1 1 21 21 GLU CA C 351 59.132 59.132 58.557 0.575 17742 10500 1 16 . 1 1 21 21 GLU CB C 351 29.864 29.864 28.958 0.906 17742 10501 1 16 . 1 1 21 21 GLU H H 351 7.513 7.513 7.673 -0.160 17742 10502 1 16 . 1 1 22 22 ASN N N 352 114.531 114.531 115.470 -0.939 17742 10503 1 16 . 1 1 22 22 ASN HA H 352 4.492 4.492 4.712 -0.220 17742 10504 1 16 . 1 1 22 22 ASN C C 352 174.497 174.497 175.447 -0.950 17742 10505 1 16 . 1 1 22 22 ASN CA C 352 54.122 54.122 53.885 0.237 17742 10506 1 16 . 1 1 22 22 ASN CB C 352 36.935 36.935 38.972 -2.037 17742 10507 1 16 . 1 1 22 22 ASN H H 352 8.649 8.649 8.057 0.592 17742 10508 1 16 . 1 1 23 23 PHE N N 353 115.501 115.501 116.473 -0.972 17742 10509 1 16 . 1 1 23 23 PHE HA H 353 4.751 4.751 4.587 0.164 17742 10510 1 16 . 1 1 23 23 PHE C C 353 176.442 176.442 174.971 1.471 17742 10511 1 16 . 1 1 23 23 PHE CB C 353 41.502 41.502 41.980 -0.478 17742 10512 1 16 . 1 1 23 23 PHE H H 353 8.555 8.555 7.926 0.629 17742 10513 1 16 . 1 1 24 24 ILE N N 354 120.734 120.734 118.320 2.414 17742 10514 1 16 . 1 1 24 24 ILE HA H 354 5.059 5.059 5.035 0.024 17742 10515 1 16 . 1 1 24 24 ILE C C 354 179.332 179.332 173.068 6.264 17742 10516 1 16 . 1 1 24 24 ILE CA C 354 59.831 59.831 60.403 -0.572 17742 10517 1 16 . 1 1 24 24 ILE CB C 354 40.623 40.623 41.972 -1.349 17742 10518 1 16 . 1 1 24 24 ILE H H 354 8.428 8.428 8.816 -0.388 17742 10519 1 16 . 1 1 25 25 ARG N N 355 121.187 121.187 123.066 -1.879 17742 10520 1 16 . 1 1 25 25 ARG HA H 355 4.904 4.904 4.910 -0.006 17742 10521 1 16 . 1 1 25 25 ARG C C 355 175.152 175.152 174.212 0.940 17742 10522 1 16 . 1 1 25 25 ARG CA C 355 54.529 54.529 54.462 0.067 17742 10523 1 16 . 1 1 25 25 ARG CB C 355 33.599 33.599 33.867 -0.268 17742 10524 1 16 . 1 1 25 25 ARG H H 355 8.671 8.671 8.962 -0.291 17742 10525 1 16 . 1 1 26 26 TRP N N 356 122.024 122.024 123.443 -1.419 17742 10526 1 16 . 1 1 26 26 TRP HA H 356 4.884 4.884 4.726 0.158 17742 10527 1 16 . 1 1 26 26 TRP C C 356 176.642 176.642 176.669 -0.027 17742 10528 1 16 . 1 1 26 26 TRP CA C 356 57.960 57.960 58.065 -0.105 17742 10529 1 16 . 1 1 26 26 TRP CB C 356 30.634 30.634 29.757 0.877 17742 10530 1 16 . 1 1 26 26 TRP H H 356 9.159 9.159 8.820 0.339 17742 10531 1 16 . 1 1 27 27 GLU N N 357 125.331 125.331 123.595 1.736 17742 10532 1 16 . 1 1 27 27 GLU HA H 357 4.681 4.681 4.483 0.198 17742 10533 1 16 . 1 1 27 27 GLU C C 357 176.775 176.775 176.725 0.050 17742 10534 1 16 . 1 1 27 27 GLU CA C 357 56.990 56.990 57.647 -0.657 17742 10535 1 16 . 1 1 27 27 GLU CB C 357 31.579 31.579 30.851 0.728 17742 10536 1 16 . 1 1 27 27 GLU H H 357 9.504 9.504 8.743 0.761 17742 10537 1 16 . 1 1 28 28 ASP N N 358 116.213 116.213 121.133 -4.920 17742 10538 1 16 . 1 1 28 28 ASP HA H 358 4.771 4.771 5.025 -0.254 17742 10539 1 16 . 1 1 28 28 ASP C C 358 176.167 176.167 175.425 0.742 17742 10540 1 16 . 1 1 28 28 ASP CA C 358 53.541 53.541 53.992 -0.451 17742 10541 1 16 . 1 1 28 28 ASP CB C 358 41.932 41.932 41.556 0.376 17742 10542 1 16 . 1 1 28 28 ASP H H 358 7.846 7.846 8.697 -0.851 17742 10543 1 16 . 1 1 29 29 LYS N N 359 127.762 127.762 124.391 3.371 17742 10544 1 16 . 1 1 29 29 LYS HA H 359 3.157 3.157 3.211 -0.054 17742 10545 1 16 . 1 1 29 29 LYS C C 359 178.776 178.776 177.785 0.991 17742 10546 1 16 . 1 1 29 29 LYS CA C 359 60.229 60.229 59.541 0.688 17742 10547 1 16 . 1 1 29 29 LYS CB C 359 32.734 32.734 32.153 0.581 17742 10548 1 16 . 1 1 29 29 LYS H H 359 9.216 9.216 8.648 0.568 17742 10549 1 16 . 1 1 30 30 GLU N N 360 119.601 119.601 117.740 1.861 17742 10550 1 16 . 1 1 30 30 GLU HA H 360 3.925 3.925 4.034 -0.109 17742 10551 1 16 . 1 1 30 30 GLU C C 360 178.684 178.684 177.023 1.661 17742 10552 1 16 . 1 1 30 30 GLU CA C 360 59.570 59.570 58.782 0.788 17742 10553 1 16 . 1 1 30 30 GLU CB C 360 29.177 29.177 29.323 -0.146 17742 10554 1 16 . 1 1 30 30 GLU H H 360 8.340 8.340 8.379 -0.039 17742 10555 1 16 . 1 1 31 31 SER N N 361 113.301 113.301 112.972 0.329 17742 10556 1 16 . 1 1 31 31 SER HA H 361 4.494 4.494 4.438 0.057 17742 10557 1 16 . 1 1 31 31 SER C C 361 172.357 172.357 174.303 -1.946 17742 10558 1 16 . 1 1 31 31 SER CA C 361 58.807 58.807 59.197 -0.390 17742 10559 1 16 . 1 1 31 31 SER CB C 361 63.768 63.768 63.325 0.443 17742 10560 1 16 . 1 1 31 31 SER H H 361 7.463 7.463 8.198 -0.735 17742 10561 1 16 . 1 1 32 32 LYS N N 362 115.170 115.170 114.114 1.056 17742 10562 1 16 . 1 1 32 32 LYS HA H 362 3.910 3.910 4.266 -0.356 17742 10563 1 16 . 1 1 32 32 LYS C C 362 175.500 175.500 175.106 0.394 17742 10564 1 16 . 1 1 32 32 LYS CA C 362 57.630 57.630 56.882 0.748 17742 10565 1 16 . 1 1 32 32 LYS CB C 362 29.801 29.801 29.896 -0.095 17742 10566 1 16 . 1 1 32 32 LYS H H 362 7.752 7.752 7.727 0.025 17742 10567 1 16 . 1 1 33 33 ILE N N 363 118.274 118.274 121.037 -2.763 17742 10568 1 16 . 1 1 33 33 ILE HA H 363 5.375 5.375 4.964 0.411 17742 10569 1 16 . 1 1 33 33 ILE C C 363 177.068 177.068 175.677 1.391 17742 10570 1 16 . 1 1 33 33 ILE CA C 363 60.428 60.428 60.362 0.066 17742 10571 1 16 . 1 1 33 33 ILE CB C 363 40.206 40.206 37.741 2.465 17742 10572 1 16 . 1 1 33 33 ILE H H 363 8.262 8.262 8.224 0.038 17742 10573 1 16 . 1 1 34 34 PHE N N 364 128.285 128.285 126.553 1.732 17742 10574 1 16 . 1 1 34 34 PHE HA H 364 5.566 5.566 5.242 0.324 17742 10575 1 16 . 1 1 34 34 PHE C C 364 179.560 179.560 172.992 6.568 17742 10576 1 16 . 1 1 34 34 PHE CA C 364 55.080 55.080 55.097 -0.017 17742 10577 1 16 . 1 1 34 34 PHE CB C 364 44.097 44.097 42.687 1.410 17742 10578 1 16 . 1 1 34 34 PHE H H 364 9.936 9.936 9.269 0.667 17742 10579 1 16 . 1 1 35 35 ARG N N 365 120.953 120.953 123.714 -2.761 17742 10580 1 16 . 1 1 35 35 ARG HA H 365 5.484 5.484 4.563 0.921 17742 10581 1 16 . 1 1 35 35 ARG C C 365 176.522 176.522 174.535 1.987 17742 10582 1 16 . 1 1 35 35 ARG CA C 365 53.584 53.584 53.622 -0.038 17742 10583 1 16 . 1 1 35 35 ARG CB C 365 36.439 36.439 33.618 2.821 17742 10584 1 16 . 1 1 35 35 ARG H H 365 9.430 9.430 9.175 0.255 17742 10585 1 16 . 1 1 36 36 ILE N N 366 125.455 125.455 127.895 -2.440 17742 10586 1 16 . 1 1 36 36 ILE HA H 366 4.201 4.201 4.045 0.156 17742 10587 1 16 . 1 1 36 36 ILE C C 366 173.923 173.923 175.589 -1.666 17742 10588 1 16 . 1 1 36 36 ILE CA C 366 63.110 63.110 62.063 1.047 17742 10589 1 16 . 1 1 36 36 ILE CB C 366 37.964 37.964 37.349 0.615 17742 10590 1 16 . 1 1 36 36 ILE H H 366 8.639 8.639 8.061 0.578 17742 10591 1 16 . 1 1 37 37 VAL N N 367 129.251 129.251 128.659 0.592 17742 10592 1 16 . 1 1 37 37 VAL HA H 367 3.674 3.674 3.786 -0.112 17742 10593 1 16 . 1 1 37 37 VAL C C 367 175.948 175.948 175.996 -0.048 17742 10594 1 16 . 1 1 37 37 VAL CA C 367 64.171 64.171 65.359 -1.188 17742 10595 1 16 . 1 1 37 37 VAL CB C 367 32.870 32.870 32.425 0.445 17742 10596 1 16 . 1 1 37 37 VAL H H 367 7.839 7.839 8.601 -0.762 17742 10597 1 16 . 1 1 38 38 ASP N N 368 114.991 114.991 119.158 -4.167 17742 10598 1 16 . 1 1 38 38 ASP HA H 368 5.213 5.213 4.999 0.214 17742 10599 1 16 . 1 1 38 38 ASP CA C 368 50.242 50.242 50.481 -0.239 17742 10600 1 16 . 1 1 38 38 ASP CB C 368 42.169 42.169 41.982 0.187 17742 10601 1 16 . 1 1 38 38 ASP H H 368 7.279 7.279 7.847 -0.568 17742 10602 1 16 . 1 1 39 39 PRO HA H 369 3.794 3.794 4.384 -0.590 17742 10603 1 16 . 1 1 39 39 PRO C C 369 178.037 178.037 178.287 -0.250 17742 10604 1 16 . 1 1 39 39 PRO CA C 369 65.619 65.619 65.858 -0.239 17742 10605 1 16 . 1 1 39 39 PRO CB C 369 31.057 31.057 31.812 -0.755 17742 10606 1 16 . 1 1 40 40 ASN N N 370 115.439 115.439 116.966 -1.527 17742 10607 1 16 . 1 1 40 40 ASN HA H 370 4.596 4.596 4.583 0.013 17742 10608 1 16 . 1 1 40 40 ASN C C 370 178.570 178.570 177.743 0.827 17742 10609 1 16 . 1 1 40 40 ASN CA C 370 56.501 56.501 55.966 0.535 17742 10610 1 16 . 1 1 40 40 ASN CB C 370 38.012 38.012 37.966 0.046 17742 10611 1 16 . 1 1 40 40 ASN H H 370 8.121 8.121 8.370 -0.249 17742 10612 1 16 . 1 1 41 41 GLY N N 371 111.317 111.317 108.534 2.783 17742 10613 1 16 . 1 1 41 41 GLY C C 371 176.090 176.090 176.650 -0.560 17742 10614 1 16 . 1 1 41 41 GLY CA C 371 47.932 47.932 47.084 0.848 17742 10615 1 16 . 1 1 41 41 GLY H H 371 8.622 8.622 9.127 -0.505 17742 10616 1 16 . 1 1 42 42 LEU N N 372 122.892 122.892 123.703 -0.811 17742 10617 1 16 . 1 1 42 42 LEU HA H 372 4.031 4.031 4.263 -0.232 17742 10618 1 16 . 1 1 42 42 LEU C C 372 177.766 177.766 178.860 -1.094 17742 10619 1 16 . 1 1 42 42 LEU CA C 372 57.830 57.830 57.794 0.036 17742 10620 1 16 . 1 1 42 42 LEU CB C 372 42.132 42.132 41.303 0.829 17742 10621 1 16 . 1 1 42 42 LEU H H 372 8.881 8.881 8.686 0.195 17742 10622 1 16 . 1 1 43 43 ALA N N 373 120.112 120.112 121.965 -1.853 17742 10623 1 16 . 1 1 43 43 ALA HA H 373 4.458 4.458 4.142 0.316 17742 10624 1 16 . 1 1 43 43 ALA C C 373 179.093 179.093 179.971 -0.878 17742 10625 1 16 . 1 1 43 43 ALA CA C 373 55.451 55.451 55.208 0.243 17742 10626 1 16 . 1 1 43 43 ALA CB C 373 18.324 18.324 18.399 -0.075 17742 10627 1 16 . 1 1 43 43 ALA H H 373 8.072 8.072 8.761 -0.689 17742 10628 1 16 . 1 1 44 44 ARG N N 374 117.916 117.916 119.096 -1.180 17742 10629 1 16 . 1 1 44 44 ARG HA H 374 4.093 4.093 4.078 0.015 17742 10630 1 16 . 1 1 44 44 ARG C C 374 179.473 179.473 179.057 0.416 17742 10631 1 16 . 1 1 44 44 ARG CA C 374 59.372 59.372 59.574 -0.202 17742 10632 1 16 . 1 1 44 44 ARG CB C 374 30.114 30.114 29.961 0.153 17742 10633 1 16 . 1 1 44 44 ARG H H 374 7.769 7.769 7.987 -0.218 17742 10634 1 16 . 1 1 45 45 LEU N N 375 121.489 121.489 120.643 0.846 17742 10635 1 16 . 1 1 45 45 LEU HA H 375 4.007 4.007 4.026 -0.019 17742 10636 1 16 . 1 1 45 45 LEU C C 375 180.049 180.049 179.139 0.910 17742 10637 1 16 . 1 1 45 45 LEU CA C 375 58.390 58.390 58.220 0.170 17742 10638 1 16 . 1 1 45 45 LEU CB C 375 41.552 41.552 41.692 -0.140 17742 10639 1 16 . 1 1 45 45 LEU H H 375 7.903 7.903 8.445 -0.542 17742 10640 1 16 . 1 1 46 46 TRP N N 376 121.466 121.466 121.307 0.159 17742 10641 1 16 . 1 1 46 46 TRP HA H 376 4.089 4.089 3.846 0.243 17742 10642 1 16 . 1 1 46 46 TRP C C 376 177.939 177.939 178.498 -0.559 17742 10643 1 16 . 1 1 46 46 TRP CA C 376 60.022 60.022 60.893 -0.871 17742 10644 1 16 . 1 1 46 46 TRP CB C 376 28.817 28.817 29.041 -0.224 17742 10645 1 16 . 1 1 46 46 TRP H H 376 8.633 8.633 8.830 -0.197 17742 10646 1 16 . 1 1 47 47 GLY N N 377 105.142 105.142 106.538 -1.396 17742 10647 1 16 . 1 1 47 47 GLY C C 377 176.128 176.128 175.592 0.536 17742 10648 1 16 . 1 1 47 47 GLY CA C 377 48.035 48.035 47.069 0.966 17742 10649 1 16 . 1 1 47 47 GLY H H 377 8.828 8.828 8.837 -0.009 17742 10650 1 16 . 1 1 48 48 ASN N N 378 120.327 120.327 121.692 -1.365 17742 10651 1 16 . 1 1 48 48 ASN HA H 378 4.402 4.402 4.444 -0.042 17742 10652 1 16 . 1 1 48 48 ASN C C 378 178.625 178.625 177.948 0.677 17742 10653 1 16 . 1 1 48 48 ASN CA C 378 56.231 56.231 55.801 0.430 17742 10654 1 16 . 1 1 48 48 ASN CB C 378 38.132 38.132 38.350 -0.218 17742 10655 1 16 . 1 1 48 48 ASN H H 378 8.212 8.212 8.381 -0.169 17742 10656 1 16 . 1 1 49 49 HIS N N 379 121.871 121.871 120.036 1.835 17742 10657 1 16 . 1 1 49 49 HIS HA H 379 4.205 4.205 4.141 0.064 17742 10658 1 16 . 1 1 49 49 HIS C C 379 176.086 176.086 176.284 -0.198 17742 10659 1 16 . 1 1 49 49 HIS CA C 379 59.390 59.390 59.002 0.388 17742 10660 1 16 . 1 1 49 49 HIS CB C 379 29.564 29.564 29.411 0.153 17742 10661 1 16 . 1 1 49 49 HIS H H 379 8.094 8.094 8.008 0.086 17742 10662 1 16 . 1 1 50 50 LYS N N 380 115.181 115.181 115.277 -0.096 17742 10663 1 16 . 1 1 50 50 LYS HA H 380 3.911 3.911 4.019 -0.108 17742 10664 1 16 . 1 1 50 50 LYS C C 380 175.348 175.348 175.367 -0.019 17742 10665 1 16 . 1 1 50 50 LYS CA C 380 53.632 53.632 54.562 -0.930 17742 10666 1 16 . 1 1 50 50 LYS CB C 380 30.742 30.742 30.797 -0.055 17742 10667 1 16 . 1 1 50 50 LYS H H 380 7.482 7.482 7.333 0.149 17742 10668 1 16 . 1 1 51 51 ASN N N 381 116.362 116.362 113.788 2.574 17742 10669 1 16 . 1 1 51 51 ASN HA H 381 4.259 4.259 4.150 0.109 17742 10670 1 16 . 1 1 51 51 ASN C C 381 174.400 174.400 174.582 -0.182 17742 10671 1 16 . 1 1 51 51 ASN CA C 381 54.312 54.312 54.590 -0.278 17742 10672 1 16 . 1 1 51 51 ASN CB C 381 37.272 37.272 37.689 -0.417 17742 10673 1 16 . 1 1 51 51 ASN H H 381 7.753 7.753 7.660 0.093 17742 10674 1 16 . 1 1 52 52 ARG N N 382 117.723 117.723 118.380 -0.657 17742 10675 1 16 . 1 1 52 52 ARG HA H 382 4.658 4.658 4.526 0.132 17742 10676 1 16 . 1 1 52 52 ARG C C 382 176.209 176.209 175.155 1.054 17742 10677 1 16 . 1 1 52 52 ARG CA C 382 53.668 53.668 54.136 -0.468 17742 10678 1 16 . 1 1 52 52 ARG CB C 382 32.212 32.212 31.825 0.387 17742 10679 1 16 . 1 1 52 52 ARG H H 382 8.476 8.476 8.269 0.207 17742 10680 1 16 . 1 1 53 53 THR N N 383 114.109 114.109 112.728 1.381 17742 10681 1 16 . 1 1 53 53 THR HA H 383 4.221 4.221 4.527 -0.306 17742 10682 1 16 . 1 1 53 53 THR C C 383 174.644 174.644 173.976 0.668 17742 10683 1 16 . 1 1 53 53 THR CA C 383 62.187 62.187 60.593 1.595 17742 10684 1 16 . 1 1 53 53 THR CB C 383 69.710 69.710 71.719 -2.009 17742 10685 1 16 . 1 1 53 53 THR H H 383 8.333 8.333 8.302 0.031 17742 10686 1 16 . 1 1 54 54 ASN N N 384 118.768 118.768 116.476 2.292 17742 10687 1 16 . 1 1 54 54 ASN HA H 384 4.609 4.609 4.361 0.248 17742 10688 1 16 . 1 1 54 54 ASN C C 384 174.975 174.975 174.245 0.730 17742 10689 1 16 . 1 1 54 54 ASN CA C 384 53.193 53.193 54.094 -0.901 17742 10690 1 16 . 1 1 54 54 ASN CB C 384 37.632 37.632 37.696 -0.064 17742 10691 1 16 . 1 1 54 54 ASN H H 384 8.521 8.521 8.731 -0.210 17742 10692 1 16 . 1 1 55 55 MET N N 385 119.621 119.621 119.085 0.536 17742 10693 1 16 . 1 1 55 55 MET HA H 385 4.566 4.566 4.533 0.033 17742 10694 1 16 . 1 1 55 55 MET C C 385 175.078 175.078 176.134 -1.056 17742 10695 1 16 . 1 1 55 55 MET CA C 385 55.298 55.298 55.695 -0.397 17742 10696 1 16 . 1 1 55 55 MET CB C 385 31.244 31.244 33.412 -2.168 17742 10697 1 16 . 1 1 55 55 MET H H 385 8.162 8.162 7.845 0.317 17742 10698 1 16 . 1 1 56 56 THR N N 386 113.114 113.114 123.856 -10.742 17742 10699 1 16 . 1 1 56 56 THR HA H 386 4.824 4.824 4.673 0.151 17742 10700 1 16 . 1 1 56 56 THR C C 386 175.549 175.549 175.137 0.412 17742 10701 1 16 . 1 1 56 56 THR CA C 386 59.060 59.060 61.548 -2.488 17742 10702 1 16 . 1 1 56 56 THR CB C 386 72.290 72.290 70.874 1.416 17742 10703 1 16 . 1 1 56 56 THR H H 386 7.031 7.031 8.498 -1.467 17742 10704 1 16 . 1 1 57 57 TYR N N 387 123.401 123.401 125.720 -2.319 17742 10705 1 16 . 1 1 57 57 TYR HA H 387 4.134 4.134 4.098 0.036 17742 10706 1 16 . 1 1 57 57 TYR C C 387 177.304 177.304 177.439 -0.135 17742 10707 1 16 . 1 1 57 57 TYR CA C 387 62.300 62.300 63.276 -0.976 17742 10708 1 16 . 1 1 57 57 TYR CB C 387 37.359 37.359 38.875 -1.516 17742 10709 1 16 . 1 1 57 57 TYR H H 387 9.691 9.691 9.152 0.539 17742 10710 1 16 . 1 1 58 58 GLU N N 388 120.999 120.999 117.199 3.800 17742 10711 1 16 . 1 1 58 58 GLU HA H 388 3.823 3.823 4.027 -0.204 17742 10712 1 16 . 1 1 58 58 GLU C C 388 179.213 179.213 178.626 0.587 17742 10713 1 16 . 1 1 58 58 GLU CA C 388 60.477 60.477 59.644 0.834 17742 10714 1 16 . 1 1 58 58 GLU CB C 388 28.895 28.895 28.947 -0.052 17742 10715 1 16 . 1 1 58 58 GLU H H 388 8.838 8.838 9.027 -0.189 17742 10716 1 16 . 1 1 59 59 LYS N N 389 118.962 118.962 117.408 1.554 17742 10717 1 16 . 1 1 59 59 LYS HA H 389 3.939 3.939 4.257 -0.318 17742 10718 1 16 . 1 1 59 59 LYS C C 389 178.797 178.797 178.328 0.469 17742 10719 1 16 . 1 1 59 59 LYS CA C 389 60.065 60.065 58.535 1.530 17742 10720 1 16 . 1 1 59 59 LYS CB C 389 33.378 33.378 32.836 0.542 17742 10721 1 16 . 1 1 59 59 LYS H H 389 7.506 7.506 7.929 -0.423 17742 10722 1 16 . 1 1 60 60 MET N N 390 120.087 120.087 119.250 0.837 17742 10723 1 16 . 1 1 60 60 MET HA H 390 3.869 3.869 4.466 -0.597 17742 10724 1 16 . 1 1 60 60 MET C C 390 178.146 178.146 177.489 0.657 17742 10725 1 16 . 1 1 60 60 MET CA C 390 59.776 59.776 57.995 1.780 17742 10726 1 16 . 1 1 60 60 MET CB C 390 33.462 33.462 33.690 -0.228 17742 10727 1 16 . 1 1 60 60 MET H H 390 8.051 8.051 7.864 0.187 17742 10728 1 16 . 1 1 61 61 SER N N 391 114.537 114.537 115.598 -1.061 17742 10729 1 16 . 1 1 61 61 SER HA H 391 3.786 3.786 3.843 -0.057 17742 10730 1 16 . 1 1 61 61 SER C C 391 176.380 176.380 176.055 0.325 17742 10731 1 16 . 1 1 61 61 SER CA C 391 61.600 61.600 60.987 0.613 17742 10732 1 16 . 1 1 61 61 SER CB C 391 62.251 62.251 62.765 -0.514 17742 10733 1 16 . 1 1 61 61 SER H H 391 8.853 8.853 8.656 0.197 17742 10734 1 16 . 1 1 62 62 ARG N N 392 122.214 122.214 121.629 0.585 17742 10735 1 16 . 1 1 62 62 ARG HA H 392 3.928 3.928 4.027 -0.099 17742 10736 1 16 . 1 1 62 62 ARG C C 392 178.732 178.732 178.119 0.613 17742 10737 1 16 . 1 1 62 62 ARG CA C 392 59.490 59.490 59.208 0.282 17742 10738 1 16 . 1 1 62 62 ARG CB C 392 30.207 30.207 29.663 0.544 17742 10739 1 16 . 1 1 62 62 ARG H H 392 7.471 7.471 7.905 -0.434 17742 10740 1 16 . 1 1 63 63 ALA N N 393 121.091 121.091 121.279 -0.188 17742 10741 1 16 . 1 1 63 63 ALA HA H 393 4.162 4.162 4.238 -0.076 17742 10742 1 16 . 1 1 63 63 ALA C C 393 179.699 179.699 179.138 0.561 17742 10743 1 16 . 1 1 63 63 ALA CA C 393 54.722 54.722 54.404 0.318 17742 10744 1 16 . 1 1 63 63 ALA CB C 393 18.154 18.154 18.365 -0.211 17742 10745 1 16 . 1 1 63 63 ALA H H 393 7.376 7.376 7.446 -0.070 17742 10746 1 16 . 1 1 64 64 LEU N N 394 117.568 117.568 118.805 -1.237 17742 10747 1 16 . 1 1 64 64 LEU HA H 394 3.777 3.777 3.049 0.728 17742 10748 1 16 . 1 1 64 64 LEU C C 394 178.085 178.085 178.307 -0.222 17742 10749 1 16 . 1 1 64 64 LEU CA C 394 58.075 58.075 56.505 1.569 17742 10750 1 16 . 1 1 64 64 LEU CB C 394 41.052 41.052 41.154 -0.102 17742 10751 1 16 . 1 1 64 64 LEU H H 394 7.853 7.853 7.006 0.847 17742 10752 1 16 . 1 1 65 65 ARG N N 395 116.111 116.111 118.839 -2.728 17742 10753 1 16 . 1 1 65 65 ARG HA H 395 3.529 3.529 4.039 -0.510 17742 10754 1 16 . 1 1 65 65 ARG C C 395 179.519 179.519 178.486 1.033 17742 10755 1 16 . 1 1 65 65 ARG CA C 395 59.133 59.133 58.946 0.187 17742 10756 1 16 . 1 1 65 65 ARG CB C 395 30.004 30.004 29.415 0.589 17742 10757 1 16 . 1 1 65 65 ARG H H 395 7.521 7.521 8.176 -0.655 17742 10758 1 16 . 1 1 66 66 HIS N N 396 118.081 118.081 116.858 1.223 17742 10759 1 16 . 1 1 66 66 HIS HA H 396 4.436 4.436 4.459 -0.023 17742 10760 1 16 . 1 1 66 66 HIS C C 396 177.826 177.826 177.954 -0.128 17742 10761 1 16 . 1 1 66 66 HIS CA C 396 59.063 59.063 59.938 -0.875 17742 10762 1 16 . 1 1 66 66 HIS CB C 396 30.154 30.154 29.990 0.164 17742 10763 1 16 . 1 1 66 66 HIS H H 396 7.241 7.241 7.717 -0.476 17742 10764 1 16 . 1 1 67 67 TYR N N 397 116.301 116.301 119.050 -2.749 17742 10765 1 16 . 1 1 67 67 TYR HA H 397 4.128 4.128 4.249 -0.121 17742 10766 1 16 . 1 1 67 67 TYR C C 397 179.075 179.075 178.041 1.034 17742 10767 1 16 . 1 1 67 67 TYR CA C 397 61.525 61.525 59.222 2.303 17742 10768 1 16 . 1 1 67 67 TYR CB C 397 37.522 37.522 36.490 1.032 17742 10769 1 16 . 1 1 67 67 TYR H H 397 7.532 7.532 7.675 -0.143 17742 10770 1 16 . 1 1 68 68 TYR N N 398 121.389 121.389 118.172 3.217 17742 10771 1 16 . 1 1 68 68 TYR HA H 398 5.474 5.474 4.726 0.748 17742 10772 1 16 . 1 1 68 68 TYR C C 398 172.285 172.285 178.186 -5.901 17742 10773 1 16 . 1 1 68 68 TYR CA C 398 57.651 57.651 60.154 -2.503 17742 10774 1 16 . 1 1 68 68 TYR CB C 398 37.055 37.055 37.671 -0.616 17742 10775 1 16 . 1 1 68 68 TYR H H 398 8.061 8.061 7.565 0.496 17742 10776 1 16 . 1 1 69 69 LYS N N 399 121.098 121.098 118.419 2.679 17742 10777 1 16 . 1 1 69 69 LYS HA H 399 4.125 4.125 4.207 -0.082 17742 10778 1 16 . 1 1 69 69 LYS C C 399 178.122 178.122 178.058 0.064 17742 10779 1 16 . 1 1 69 69 LYS CA C 399 58.801 58.801 57.748 1.053 17742 10780 1 16 . 1 1 69 69 LYS CB C 399 32.242 32.242 32.191 0.051 17742 10781 1 16 . 1 1 69 69 LYS H H 399 7.799 7.799 7.690 0.109 17742 10782 1 16 . 1 1 70 70 LEU N N 400 116.117 116.117 117.025 -0.908 17742 10783 1 16 . 1 1 70 70 LEU HA H 400 4.312 4.312 4.237 0.075 17742 10784 1 16 . 1 1 70 70 LEU C C 400 175.903 175.903 175.712 0.191 17742 10785 1 16 . 1 1 70 70 LEU CA C 400 54.642 54.642 54.969 -0.327 17742 10786 1 16 . 1 1 70 70 LEU CB C 400 42.796 42.796 41.683 1.113 17742 10787 1 16 . 1 1 70 70 LEU H H 400 7.257 7.257 7.954 -0.697 17742 10788 1 16 . 1 1 71 71 ASN N N 401 115.181 115.181 111.726 3.455 17742 10789 1 16 . 1 1 71 71 ASN HA H 401 4.368 4.368 4.348 0.020 17742 10790 1 16 . 1 1 71 71 ASN C C 401 173.597 173.597 175.235 -1.638 17742 10791 1 16 . 1 1 71 71 ASN CA C 401 54.622 54.622 54.060 0.562 17742 10792 1 16 . 1 1 71 71 ASN CB C 401 37.252 37.252 36.048 1.204 17742 10793 1 16 . 1 1 71 71 ASN H H 401 8.061 8.061 7.442 0.619 17742 10794 1 16 . 1 1 72 72 ILE N N 402 114.031 114.031 116.188 -2.157 17742 10795 1 16 . 1 1 72 72 ILE HA H 402 4.128 4.128 3.913 0.215 17742 10796 1 16 . 1 1 72 72 ILE C C 402 176.467 176.467 175.650 0.817 17742 10797 1 16 . 1 1 72 72 ILE CA C 402 63.720 63.720 63.809 -0.089 17742 10798 1 16 . 1 1 72 72 ILE CB C 402 40.491 40.491 38.977 1.514 17742 10799 1 16 . 1 1 72 72 ILE H H 402 8.104 8.104 8.044 0.060 17742 10800 1 16 . 1 1 73 73 ILE N N 403 116.973 116.973 117.261 -0.288 17742 10801 1 16 . 1 1 73 73 ILE HA H 403 5.014 5.014 5.240 -0.226 17742 10802 1 16 . 1 1 73 73 ILE C C 403 174.039 174.039 173.910 0.129 17742 10803 1 16 . 1 1 73 73 ILE CA C 403 59.357 59.357 59.512 -0.155 17742 10804 1 16 . 1 1 73 73 ILE CB C 403 43.362 43.362 41.878 1.484 17742 10805 1 16 . 1 1 73 73 ILE H H 403 7.099 7.099 7.495 -0.396 17742 10806 1 16 . 1 1 74 74 ARG N N 404 123.639 123.639 126.332 -2.693 17742 10807 1 16 . 1 1 74 74 ARG HA H 404 4.771 4.771 5.002 -0.231 17742 10808 1 16 . 1 1 74 74 ARG C C 404 174.917 174.917 173.848 1.069 17742 10809 1 16 . 1 1 74 74 ARG CA C 404 54.261 54.261 53.922 0.340 17742 10810 1 16 . 1 1 74 74 ARG CB C 404 34.689 34.689 33.719 0.970 17742 10811 1 16 . 1 1 74 74 ARG H H 404 8.983 8.983 8.698 0.285 17742 10812 1 16 . 1 1 75 75 LYS N N 405 125.665 125.665 121.380 4.285 17742 10813 1 16 . 1 1 75 75 LYS HA H 405 4.071 4.071 4.767 -0.696 17742 10814 1 16 . 1 1 75 75 LYS C C 405 176.525 176.525 176.298 0.227 17742 10815 1 16 . 1 1 75 75 LYS CA C 405 56.470 56.470 55.712 0.758 17742 10816 1 16 . 1 1 75 75 LYS CB C 405 32.649 32.649 33.465 -0.816 17742 10817 1 16 . 1 1 75 75 LYS H H 405 8.263 8.263 8.479 -0.216 17742 10818 1 16 . 1 1 76 76 GLU N N 406 128.072 128.072 125.006 3.066 17742 10819 1 16 . 1 1 76 76 GLU HA H 406 4.432 4.432 4.396 0.036 17742 10820 1 16 . 1 1 76 76 GLU CA C 406 53.747 53.747 54.041 -0.294 17742 10821 1 16 . 1 1 76 76 GLU CB C 406 29.914 29.914 29.474 0.439 17742 10822 1 16 . 1 1 76 76 GLU H H 406 8.024 8.024 8.451 -0.427 17742 10823 1 16 . 1 1 77 77 PRO HA H 407 4.282 4.282 4.272 0.010 17742 10824 1 16 . 1 1 77 77 PRO C C 407 177.719 177.719 177.596 0.123 17742 10825 1 16 . 1 1 77 77 PRO CA C 407 63.407 63.407 63.792 -0.385 17742 10826 1 16 . 1 1 77 77 PRO CB C 407 32.184 32.184 31.394 0.790 17742 10827 1 16 . 1 1 78 78 GLY N N 408 109.716 109.716 112.717 -3.001 17742 10828 1 16 . 1 1 78 78 GLY C C 408 174.053 174.053 173.962 0.091 17742 10829 1 16 . 1 1 78 78 GLY CA C 408 45.519 45.519 45.020 0.499 17742 10830 1 16 . 1 1 78 78 GLY H H 408 8.531 8.531 8.615 -0.084 17742 10831 1 16 . 1 1 79 79 GLN N N 409 116.964 116.964 118.079 -1.115 17742 10832 1 16 . 1 1 79 79 GLN HA H 409 4.488 4.488 4.674 -0.186 17742 10833 1 16 . 1 1 79 79 GLN C C 409 175.390 175.390 175.218 0.172 17742 10834 1 16 . 1 1 79 79 GLN CA C 409 54.359 54.359 54.345 0.014 17742 10835 1 16 . 1 1 79 79 GLN CB C 409 31.202 31.202 31.711 -0.509 17742 10836 1 16 . 1 1 79 79 GLN H H 409 7.559 7.559 7.755 -0.196 17742 10837 1 16 . 1 1 80 80 ARG N N 410 120.457 120.457 120.170 0.287 17742 10838 1 16 . 1 1 80 80 ARG HA H 410 4.262 4.262 4.308 -0.046 17742 10839 1 16 . 1 1 80 80 ARG C C 410 176.270 176.270 176.741 -0.471 17742 10840 1 16 . 1 1 80 80 ARG CA C 410 56.821 56.821 56.402 0.419 17742 10841 1 16 . 1 1 80 80 ARG CB C 410 31.502 31.502 29.941 1.561 17742 10842 1 16 . 1 1 80 80 ARG H H 410 8.251 8.251 8.453 -0.202 17742 10843 1 16 . 1 1 81 81 LEU N N 411 119.348 119.348 120.698 -1.350 17742 10844 1 16 . 1 1 81 81 LEU HA H 411 4.023 4.023 4.579 -0.556 17742 10845 1 16 . 1 1 81 81 LEU C C 411 173.279 173.279 175.677 -2.398 17742 10846 1 16 . 1 1 81 81 LEU CA C 411 55.030 55.030 53.727 1.302 17742 10847 1 16 . 1 1 81 81 LEU CB C 411 40.335 40.335 41.315 -0.980 17742 10848 1 16 . 1 1 81 81 LEU H H 411 8.435 8.435 8.139 0.296 17742 10849 1 16 . 1 1 82 82 LEU N N 412 119.070 119.070 121.689 -2.619 17742 10850 1 16 . 1 1 82 82 LEU HA H 412 5.013 5.013 4.265 0.748 17742 10851 1 16 . 1 1 82 82 LEU C C 412 175.361 175.361 175.778 -0.417 17742 10852 1 16 . 1 1 82 82 LEU CA C 412 53.212 53.212 54.171 -0.959 17742 10853 1 16 . 1 1 82 82 LEU CB C 412 45.471 45.471 41.300 4.171 17742 10854 1 16 . 1 1 82 82 LEU H H 412 6.751 6.751 7.449 -0.698 17742 10855 1 16 . 1 1 83 83 PHE N N 413 122.184 122.184 124.824 -2.640 17742 10856 1 16 . 1 1 83 83 PHE HA H 413 4.865 4.865 5.452 -0.587 17742 10857 1 16 . 1 1 83 83 PHE C C 413 172.849 172.849 174.653 -1.804 17742 10858 1 16 . 1 1 83 83 PHE CA C 413 55.921 55.921 54.296 1.625 17742 10859 1 16 . 1 1 83 83 PHE CB C 413 44.569 44.569 42.547 2.022 17742 10860 1 16 . 1 1 83 83 PHE H H 413 8.661 8.661 8.878 -0.217 17742 10861 1 16 . 1 1 84 84 ARG N N 414 119.461 119.461 119.835 -0.374 17742 10862 1 16 . 1 1 84 84 ARG HA H 414 5.581 5.581 5.295 0.286 17742 10863 1 16 . 1 1 84 84 ARG C C 414 177.641 177.641 174.894 2.747 17742 10864 1 16 . 1 1 84 84 ARG CA C 414 54.239 54.239 55.102 -0.863 17742 10865 1 16 . 1 1 84 84 ARG CB C 414 36.198 36.198 34.164 2.034 17742 10866 1 16 . 1 1 84 84 ARG H H 414 9.098 9.098 9.133 -0.035 17742 10867 1 16 . 1 1 85 85 PHE N N 415 124.274 124.274 128.051 -3.777 17742 10868 1 16 . 1 1 85 85 PHE HA H 415 5.027 5.027 4.961 0.066 17742 10869 1 16 . 1 1 85 85 PHE C C 415 176.117 176.117 176.252 -0.135 17742 10870 1 16 . 1 1 85 85 PHE CA C 415 59.657 59.657 59.265 0.392 17742 10871 1 16 . 1 1 85 85 PHE CB C 415 40.819 40.819 38.428 2.391 17742 10872 1 16 . 1 1 85 85 PHE H H 415 8.928 8.928 9.520 -0.592 17742 10873 1 16 . 1 1 86 86 MET N N 416 121.081 121.081 122.883 -1.802 17742 10874 1 16 . 1 1 86 86 MET HA H 416 4.656 4.656 4.355 0.301 17742 10875 1 16 . 1 1 86 86 MET C C 416 176.444 176.444 176.450 -0.006 17742 10876 1 16 . 1 1 86 86 MET CA C 416 54.681 54.681 56.393 -1.712 17742 10877 1 16 . 1 1 86 86 MET CB C 416 31.698 31.698 32.333 -0.635 17742 10878 1 16 . 1 1 86 86 MET H H 416 8.676 8.676 8.705 -0.029 17742 10879 1 16 . 1 1 87 87 LYS N N 417 117.772 117.772 114.731 3.041 17742 10880 1 16 . 1 1 87 87 LYS HA H 417 4.899 4.899 4.790 0.109 17742 10881 1 16 . 1 1 87 87 LYS C C 417 175.621 175.621 174.924 0.697 17742 10882 1 16 . 1 1 87 87 LYS CA C 417 54.522 54.522 54.965 -0.443 17742 10883 1 16 . 1 1 87 87 LYS CB C 417 37.905 37.905 35.367 2.538 17742 10884 1 16 . 1 1 87 87 LYS H H 417 7.624 7.624 7.436 0.188 17742 10885 1 16 . 1 1 88 88 THR N N 418 112.426 112.426 111.367 1.059 17742 10886 1 16 . 1 1 88 88 THR HA H 418 4.372 4.372 4.491 -0.119 17742 10887 1 16 . 1 1 88 88 THR CA C 418 59.786 59.786 58.756 1.030 17742 10888 1 16 . 1 1 88 88 THR CB C 418 68.040 68.040 68.473 -0.433 17742 10889 1 16 . 1 1 88 88 THR H H 418 8.787 8.787 9.316 -0.529 17742 10890 1 16 . 1 1 89 89 PRO HA H 419 3.654 3.654 3.286 0.368 17742 10891 1 16 . 1 1 89 89 PRO C C 419 177.412 177.412 178.602 -1.190 17742 10892 1 16 . 1 1 89 89 PRO CA C 419 65.712 65.712 66.236 -0.524 17742 10893 1 16 . 1 1 89 89 PRO CB C 419 31.762 31.762 31.629 0.133 17742 10894 1 16 . 1 1 90 90 ASP N N 420 114.221 114.221 114.220 0.001 17742 10895 1 16 . 1 1 90 90 ASP HA H 420 4.224 4.224 4.284 -0.060 17742 10896 1 16 . 1 1 90 90 ASP C C 420 178.341 178.341 176.915 1.426 17742 10897 1 16 . 1 1 90 90 ASP CA C 420 56.657 56.657 56.660 -0.003 17742 10898 1 16 . 1 1 90 90 ASP CB C 420 40.642 40.642 40.721 -0.079 17742 10899 1 16 . 1 1 90 90 ASP H H 420 7.958 7.958 8.420 -0.462 17742 10900 1 16 . 1 1 91 91 GLU N N 421 119.443 119.443 117.099 2.344 17742 10901 1 16 . 1 1 91 91 GLU HA H 421 4.006 4.006 4.055 -0.049 17742 10902 1 16 . 1 1 91 91 GLU C C 421 179.238 179.238 179.062 0.176 17742 10903 1 16 . 1 1 91 91 GLU CA C 421 58.458 58.458 58.269 0.189 17742 10904 1 16 . 1 1 91 91 GLU CB C 421 30.774 30.774 29.855 0.919 17742 10905 1 16 . 1 1 91 91 GLU H H 421 7.628 7.628 7.593 0.035 17742 10906 1 16 . 1 1 92 92 ILE N N 422 120.617 120.617 120.853 -0.236 17742 10907 1 16 . 1 1 92 92 ILE HA H 422 3.589 3.589 3.581 0.008 17742 10908 1 16 . 1 1 92 92 ILE C C 422 178.124 178.124 176.734 1.390 17742 10909 1 16 . 1 1 92 92 ILE CA C 422 63.878 63.878 64.646 -0.768 17742 10910 1 16 . 1 1 92 92 ILE CB C 422 38.142 38.142 37.779 0.363 17742 10911 1 16 . 1 1 92 92 ILE H H 422 7.896 7.896 7.788 0.108 17742 10912 1 16 . 1 1 93 93 MET N N 423 117.857 117.857 115.836 2.021 17742 10913 1 16 . 1 1 93 93 MET HA H 423 4.365 4.365 4.338 0.027 17742 10914 1 16 . 1 1 93 93 MET C C 423 177.009 177.009 177.084 -0.075 17742 10915 1 16 . 1 1 93 93 MET CA C 423 56.527 56.527 56.632 -0.105 17742 10916 1 16 . 1 1 93 93 MET CB C 423 32.617 32.617 31.733 0.884 17742 10917 1 16 . 1 1 93 93 MET H H 423 8.161 8.161 8.170 -0.009 17742 10918 1 16 . 1 1 94 94 SER N N 424 114.591 114.591 115.860 -1.269 17742 10919 1 16 . 1 1 94 94 SER HA H 424 4.406 4.406 4.344 0.062 17742 10920 1 16 . 1 1 94 94 SER C C 424 175.262 175.262 175.301 -0.039 17742 10921 1 16 . 1 1 94 94 SER CA C 424 59.482 59.482 59.561 -0.079 17742 10922 1 16 . 1 1 94 94 SER CB C 424 63.466 63.466 63.743 -0.278 17742 10923 1 16 . 1 1 94 94 SER H H 424 7.744 7.744 7.526 0.218 17742 10924 1 16 . 1 1 95 95 GLY N N 425 109.590 109.590 107.439 2.151 17742 10925 1 16 . 1 1 95 95 GLY C C 425 174.197 174.197 174.568 -0.371 17742 10926 1 16 . 1 1 95 95 GLY CA C 425 45.122 45.122 45.330 -0.208 17742 10927 1 16 . 1 1 95 95 GLY H H 425 7.970 7.970 7.514 0.456 17742 10928 1 16 . 1 1 96 96 ARG N N 426 119.792 119.792 118.484 1.308 17742 10929 1 16 . 1 1 96 96 ARG HA H 426 4.567 4.567 4.777 -0.210 17742 10930 1 16 . 1 1 96 96 ARG C C 426 177.866 177.866 176.801 1.065 17742 10931 1 16 . 1 1 96 96 ARG CA C 426 55.757 55.757 54.873 0.884 17742 10932 1 16 . 1 1 96 96 ARG CB C 426 30.059 30.059 31.032 -0.973 17742 10933 1 16 . 1 1 96 96 ARG H H 426 8.144 8.144 7.825 0.319 17742 10934 1 16 . 1 1 97 97 THR N N 427 114.770 114.770 113.609 1.161 17742 10935 1 16 . 1 1 97 97 THR HA H 427 4.221 4.221 4.259 -0.038 17742 10936 1 16 . 1 1 97 97 THR C C 427 175.449 175.449 175.185 0.264 17742 10937 1 16 . 1 1 97 97 THR CA C 427 63.411 63.411 65.714 -2.303 17742 10938 1 16 . 1 1 97 97 THR CB C 427 69.080 69.080 68.462 0.618 17742 10939 1 16 . 1 1 97 97 THR H H 427 8.427 8.427 8.069 0.358 17742 10940 1 16 . 1 1 98 98 ASP N N 428 122.017 122.017 122.194 -0.177 17742 10941 1 16 . 1 1 98 98 ASP HA H 428 4.404 4.404 4.485 -0.081 17742 10942 1 16 . 1 1 98 98 ASP C C 428 178.042 178.042 178.288 -0.246 17742 10943 1 16 . 1 1 98 98 ASP CA C 428 56.438 56.438 57.324 -0.886 17742 10944 1 16 . 1 1 98 98 ASP CB C 428 40.012 40.012 40.398 -0.386 17742 10945 1 16 . 1 1 98 98 ASP H H 428 8.659 8.659 8.590 0.069 17742 10946 1 16 . 1 1 99 99 ARG N N 429 120.083 120.083 118.418 1.665 17742 10947 1 16 . 1 1 99 99 ARG HA H 429 4.190 4.190 4.168 0.022 17742 10948 1 16 . 1 1 99 99 ARG C C 429 178.236 178.236 178.205 0.031 17742 10949 1 16 . 1 1 99 99 ARG CA C 429 58.307 58.307 58.035 0.272 17742 10950 1 16 . 1 1 99 99 ARG CB C 429 30.073 30.073 29.931 0.142 17742 10951 1 16 . 1 1 99 99 ARG H H 429 8.011 8.011 8.009 0.002 17742 10952 1 16 . 1 1 100 100 LEU N N 430 119.784 119.784 120.294 -0.510 17742 10953 1 16 . 1 1 100 100 LEU HA H 430 4.048 4.048 4.046 0.002 17742 10954 1 16 . 1 1 100 100 LEU C C 430 178.209 178.209 178.775 -0.566 17742 10955 1 16 . 1 1 100 100 LEU CA C 430 57.535 57.535 57.845 -0.310 17742 10956 1 16 . 1 1 100 100 LEU CB C 430 42.218 42.218 41.772 0.446 17742 10957 1 16 . 1 1 100 100 LEU H H 430 7.667 7.667 7.542 0.125 17742 10958 1 16 . 1 1 101 101 GLU N N 431 119.434 119.434 118.677 0.757 17742 10959 1 16 . 1 1 101 101 GLU HA H 431 3.962 3.962 3.981 -0.019 17742 10960 1 16 . 1 1 101 101 GLU C C 431 178.773 178.773 178.794 -0.021 17742 10961 1 16 . 1 1 101 101 GLU CA C 431 59.470 59.470 59.537 -0.067 17742 10962 1 16 . 1 1 101 101 GLU CB C 431 29.667 29.667 29.539 0.128 17742 10963 1 16 . 1 1 101 101 GLU H H 431 8.339 8.339 8.696 -0.357 17742 10964 1 16 . 1 1 102 102 HIS N N 432 118.026 118.026 117.804 0.222 17742 10965 1 16 . 1 1 102 102 HIS HA H 432 4.463 4.463 4.441 0.022 17742 10966 1 16 . 1 1 102 102 HIS C C 432 177.322 177.322 177.380 -0.058 17742 10967 1 16 . 1 1 102 102 HIS CA C 432 58.432 58.432 58.754 -0.322 17742 10968 1 16 . 1 1 102 102 HIS CB C 432 29.237 29.237 30.369 -1.131 17742 10969 1 16 . 1 1 102 102 HIS H H 432 7.995 7.995 7.493 0.502 17742 10970 1 16 . 1 1 103 103 LEU N N 433 120.785 120.785 121.906 -1.121 17742 10971 1 16 . 1 1 103 103 LEU HA H 433 3.971 3.971 4.176 -0.205 17742 10972 1 16 . 1 1 103 103 LEU C C 433 179.014 179.014 178.539 0.475 17742 10973 1 16 . 1 1 103 103 LEU CA C 433 57.570 57.570 57.411 0.159 17742 10974 1 16 . 1 1 103 103 LEU CB C 433 41.606 41.606 41.257 0.349 17742 10975 1 16 . 1 1 103 103 LEU H H 433 8.077 8.077 8.203 -0.126 17742 10976 1 16 . 1 1 104 104 GLU N N 434 119.107 119.107 119.001 0.106 17742 10977 1 16 . 1 1 104 104 GLU HA H 434 4.025 4.025 4.051 -0.026 17742 10978 1 16 . 1 1 104 104 GLU C C 434 178.187 178.187 179.303 -1.116 17742 10979 1 16 . 1 1 104 104 GLU CA C 434 60.221 60.221 59.905 0.316 17742 10980 1 16 . 1 1 104 104 GLU CB C 434 30.104 30.104 29.134 0.970 17742 10981 1 16 . 1 1 104 104 GLU H H 434 8.443 8.443 8.646 -0.203 17742 10982 1 16 . 1 1 105 105 SER N N 435 114.129 114.129 113.326 0.803 17742 10983 1 16 . 1 1 105 105 SER HA H 435 4.204 4.204 4.157 0.047 17742 10984 1 16 . 1 1 105 105 SER C C 435 175.924 175.924 175.527 0.397 17742 10985 1 16 . 1 1 105 105 SER CA C 435 61.303 61.303 61.407 -0.104 17742 10986 1 16 . 1 1 105 105 SER CB C 435 63.070 63.070 63.116 -0.046 17742 10987 1 16 . 1 1 105 105 SER H H 435 8.041 8.041 7.727 0.314 17742 10988 1 16 . 1 1 106 106 GLN N N 436 120.201 120.201 119.525 0.676 17742 10989 1 16 . 1 1 106 106 GLN HA H 436 4.124 4.124 4.159 -0.035 17742 10990 1 16 . 1 1 106 106 GLN C C 436 178.242 178.242 178.057 0.185 17742 10991 1 16 . 1 1 106 106 GLN CA C 436 58.242 58.242 58.111 0.131 17742 10992 1 16 . 1 1 106 106 GLN CB C 436 29.001 29.001 29.337 -0.336 17742 10993 1 16 . 1 1 106 106 GLN H H 436 7.823 7.823 7.640 0.183 17742 10994 1 16 . 1 1 107 107 VAL N N 437 117.503 117.503 119.880 -2.377 17742 10995 1 16 . 1 1 107 107 VAL HA H 437 3.955 3.955 4.077 -0.122 17742 10996 1 16 . 1 1 107 107 VAL C C 437 177.462 177.462 177.215 0.247 17742 10997 1 16 . 1 1 107 107 VAL CA C 437 64.414 64.414 65.602 -1.188 17742 10998 1 16 . 1 1 107 107 VAL CB C 437 32.192 32.192 31.988 0.204 17742 10999 1 16 . 1 1 107 107 VAL H H 437 7.711 7.711 8.549 -0.838 17742 11000 1 16 . 1 1 108 108 LEU HA H 438 4.072 4.072 4.218 -0.146 17742 11001 1 16 . 1 1 108 108 LEU C C 438 177.614 177.614 176.847 0.767 17742 11002 1 16 . 1 1 108 108 LEU CA C 438 56.521 56.521 55.666 0.855 17742 11003 1 16 . 1 1 108 108 LEU CB C 438 42.149 42.149 41.464 0.685 17742 11004 1 16 . 1 1 109 109 ASP N N 439 118.500 118.500 117.103 1.397 17742 11005 1 16 . 1 1 109 109 ASP HA H 439 4.685 4.685 4.726 -0.041 17742 11006 1 16 . 1 1 109 109 ASP C C 439 176.372 176.372 176.896 -0.524 17742 11007 1 16 . 1 1 109 109 ASP CA C 439 54.653 54.653 54.068 0.585 17742 11008 1 16 . 1 1 109 109 ASP CB C 439 41.425 41.425 42.149 -0.724 17742 11009 1 16 . 1 1 109 109 ASP H H 439 7.872 7.872 7.841 0.031 17742 11010 1 16 . 1 1 110 110 GLU N N 440 120.701 120.701 119.201 1.500 17742 11011 1 16 . 1 1 110 110 GLU HA H 440 4.188 4.188 4.071 0.117 17742 11012 1 16 . 1 1 110 110 GLU C C 440 176.739 176.739 177.354 -0.615 17742 11013 1 16 . 1 1 110 110 GLU CA C 440 57.310 57.310 58.882 -1.572 17742 11014 1 16 . 1 1 110 110 GLU CB C 440 30.091 30.091 30.005 0.086 17742 11015 1 16 . 1 1 110 110 GLU H H 440 7.929 7.929 8.343 -0.414 17742 11016 1 16 . 1 1 111 111 GLN N N 441 120.829 120.829 118.042 2.787 17742 11017 1 16 . 1 1 111 111 GLN HA H 441 4.341 4.341 4.369 -0.028 17742 11018 1 16 . 1 1 111 111 GLN C C 441 176.214 176.214 175.907 0.307 17742 11019 1 16 . 1 1 111 111 GLN CA C 441 56.103 56.103 55.004 1.099 17742 11020 1 16 . 1 1 111 111 GLN CB C 441 29.607 29.607 29.405 0.202 17742 11021 1 16 . 1 1 111 111 GLN H H 441 8.434 8.434 8.183 0.251 17742 11022 1 16 . 1 1 112 112 THR N N 442 114.861 114.861 112.178 2.683 17742 11023 1 16 . 1 1 112 112 THR HA H 442 4.258 4.258 4.250 0.008 17742 11024 1 16 . 1 1 112 112 THR C C 442 174.095 174.095 176.081 -1.986 17742 11025 1 16 . 1 1 112 112 THR CA C 442 62.140 62.140 63.236 -1.097 17742 11026 1 16 . 1 1 112 112 THR CB C 442 69.870 69.870 69.072 0.798 17742 11027 1 16 . 1 1 112 112 THR H H 442 8.038 8.038 8.211 -0.173 17742 11028 1 16 . 1 1 113 113 TYR N N 443 122.709 122.709 119.412 3.297 17742 11029 1 16 . 1 1 113 113 TYR HA H 443 4.552 4.552 4.390 0.162 17742 11030 1 16 . 1 1 113 113 TYR C C 443 175.303 175.303 174.937 0.366 17742 11031 1 16 . 1 1 113 113 TYR CA C 443 57.921 57.921 56.898 1.023 17742 11032 1 16 . 1 1 113 113 TYR CB C 443 38.982 38.982 36.001 2.981 17742 11033 1 16 . 1 1 113 113 TYR H H 443 8.171 8.171 8.465 -0.294 17742 11034 1 16 . 1 1 114 114 GLN N N 444 122.768 122.768 116.655 6.113 17742 11035 1 16 . 1 1 114 114 GLN HA H 444 4.284 4.284 3.884 0.400 17742 11036 1 16 . 1 1 114 114 GLN C C 444 175.372 175.372 174.538 0.834 17742 11037 1 16 . 1 1 114 114 GLN CA C 444 55.543 55.543 56.474 -0.931 17742 11038 1 16 . 1 1 114 114 GLN CB C 444 29.894 29.894 27.332 2.562 17742 11039 1 16 . 1 1 114 114 GLN H H 444 8.202 8.202 8.343 -0.141 17742 11040 1 16 . 1 1 115 115 GLU N N 445 122.370 122.370 118.348 4.022 17742 11041 1 16 . 1 1 115 115 GLU HA H 445 4.225 4.225 4.299 -0.074 17742 11042 1 16 . 1 1 115 115 GLU C C 445 176.058 176.058 176.022 0.036 17742 11043 1 16 . 1 1 115 115 GLU CA C 445 56.612 56.612 55.715 0.897 17742 11044 1 16 . 1 1 115 115 GLU CB C 445 30.517 30.517 29.831 0.686 17742 11045 1 16 . 1 1 115 115 GLU H H 445 8.371 8.371 7.736 0.635 17742 11046 1 16 . 1 1 116 116 ASP N N 446 121.090 121.090 124.147 -3.057 17742 11047 1 16 . 1 1 116 116 ASP HA H 446 4.595 4.595 4.662 -0.067 17742 11048 1 16 . 1 1 116 116 ASP C C 446 175.872 175.872 175.840 0.032 17742 11049 1 16 . 1 1 116 116 ASP CA C 446 54.382 54.382 54.230 0.152 17742 11050 1 16 . 1 1 116 116 ASP CB C 446 41.402 41.402 42.428 -1.026 17742 11051 1 16 . 1 1 116 116 ASP H H 446 8.336 8.336 8.475 -0.139 17742 11052 1 16 . 1 1 117 117 GLU N N 447 121.977 121.977 121.715 0.262 17742 11053 1 16 . 1 1 117 117 GLU HA H 447 4.575 4.575 4.396 0.179 17742 11054 1 16 . 1 1 117 117 GLU CA C 447 54.442 54.442 55.050 -0.607 17742 11055 1 16 . 1 1 117 117 GLU CB C 447 30.254 30.254 29.161 1.093 17742 11056 1 16 . 1 1 117 117 GLU H H 447 8.194 8.194 8.277 -0.083 17742 11057 1 16 . 1 1 118 118 PRO HA H 448 4.461 4.461 4.339 0.122 17742 11058 1 16 . 1 1 118 118 PRO C C 448 177.160 177.160 176.175 0.985 17742 11059 1 16 . 1 1 118 118 PRO CA C 448 63.371 63.371 63.398 -0.027 17742 11060 1 16 . 1 1 118 118 PRO CB C 448 32.302 32.302 30.315 1.987 17742 11061 1 16 . 1 1 119 119 THR N N 449 114.788 114.788 115.397 -0.609 17742 11062 1 16 . 1 1 119 119 THR HA H 449 4.292 4.292 4.339 -0.047 17742 11063 1 16 . 1 1 119 119 THR C C 449 174.664 174.664 172.729 1.935 17742 11064 1 16 . 1 1 119 119 THR CA C 449 62.117 62.117 61.183 0.934 17742 11065 1 16 . 1 1 119 119 THR CB C 449 69.861 69.861 69.641 0.220 17742 11066 1 16 . 1 1 119 119 THR H H 449 8.235 8.235 7.855 0.380 17742 11067 1 16 . 1 1 120 120 ILE N N 450 123.074 123.074 120.418 2.656 17742 11068 1 16 . 1 1 120 120 ILE HA H 450 4.169 4.169 4.584 -0.415 17742 11069 1 16 . 1 1 120 120 ILE C C 450 175.683 175.683 176.646 -0.963 17742 11070 1 16 . 1 1 120 120 ILE CA C 450 60.987 60.987 61.353 -0.366 17742 11071 1 16 . 1 1 120 120 ILE CB C 450 38.983 38.983 38.518 0.465 17742 11072 1 16 . 1 1 120 120 ILE H H 450 8.043 8.043 8.140 -0.097 17742 11073 1 16 . 1 1 121 121 ALA N N 451 128.011 128.011 124.128 3.883 17742 11074 1 16 . 1 1 121 121 ALA HA H 451 4.332 4.332 4.100 0.232 17742 11075 1 16 . 1 1 121 121 ALA C C 451 177.333 177.333 176.450 0.883 17742 11076 1 16 . 1 1 121 121 ALA CA C 451 52.364 52.364 54.026 -1.662 17742 11077 1 16 . 1 1 121 121 ALA CB C 451 19.534 19.534 17.533 2.001 17742 11078 1 16 . 1 1 121 121 ALA H H 451 8.277 8.277 8.499 -0.222 17742 11079 1 16 . 1 1 122 122 SER N N 452 116.575 116.575 109.154 7.421 17742 11080 1 16 . 1 1 122 122 SER HA H 452 4.672 4.672 4.598 0.074 17742 11081 1 16 . 1 1 122 122 SER CA C 452 56.230 56.230 56.898 -0.668 17742 11082 1 16 . 1 1 122 122 SER CB C 452 63.460 63.460 62.541 0.919 17742 11083 1 16 . 1 1 122 122 SER H H 452 8.161 8.161 7.826 0.335 17742 11084 1 16 . 1 1 123 123 PRO HA H 453 4.395 4.395 4.728 -0.333 17742 11085 1 16 . 1 1 123 123 PRO C C 453 176.993 176.993 175.798 1.195 17742 11086 1 16 . 1 1 123 123 PRO CA C 453 63.303 63.303 63.656 -0.353 17742 11087 1 16 . 1 1 123 123 PRO CB C 453 32.149 32.149 29.929 2.220 17742 11088 1 16 . 1 1 124 124 VAL N N 454 119.733 119.733 121.869 -2.136 17742 11089 1 16 . 1 1 124 124 VAL HA H 454 4.010 4.010 4.662 -0.652 17742 11090 1 16 . 1 1 124 124 VAL CA C 454 62.674 62.674 61.237 1.437 17742 11091 1 16 . 1 1 124 124 VAL CB C 454 32.669 32.669 32.454 0.215 17742 11092 1 16 . 1 1 124 124 VAL H H 454 8.058 8.058 8.694 -0.636 17742 11093 1 16 . 1 1 125 125 GLY N N 455 111.901 111.901 115.276 -3.375 17742 11094 1 16 . 1 1 125 125 GLY CA C 455 45.152 45.152 44.810 0.342 17742 11095 1 16 . 1 1 125 125 GLY H H 455 8.255 8.255 8.354 -0.099 17742 11096 1 16 . 1 1 126 126 TRP N N 456 122.405 122.405 120.628 1.777 17742 11097 1 16 . 1 1 126 126 TRP HA H 456 4.929 4.929 4.878 0.051 17742 11098 1 16 . 1 1 126 126 TRP CA C 456 55.029 55.029 53.940 1.089 17742 11099 1 16 . 1 1 126 126 TRP CB C 456 29.383 29.383 30.016 -0.633 17742 11100 1 16 . 1 1 126 126 TRP H H 456 7.906 7.906 7.857 0.049 17742 11101 1 16 . 1 1 127 127 PRO HA H 457 4.429 4.429 4.582 -0.153 17742 11102 1 16 . 1 1 127 127 PRO C C 457 175.951 175.951 176.567 -0.616 17742 11103 1 16 . 1 1 127 127 PRO CA C 457 63.558 63.558 62.838 0.720 17742 11104 1 16 . 1 1 127 127 PRO CB C 457 31.932 31.932 32.444 -0.512 17742 11105 1 17 . 1 1 5 5 ARG N N 335 123.607 123.607 125.215 -1.608 17742 11106 1 17 . 1 1 5 5 ARG HA H 335 4.382 4.382 4.778 -0.396 17742 11107 1 17 . 1 1 5 5 ARG CA C 335 56.926 56.926 55.353 1.573 17742 11108 1 17 . 1 1 5 5 ARG H H 335 9.161 9.161 8.393 0.768 17742 11109 1 17 . 1 1 6 6 LEU N N 336 122.412 122.412 118.677 3.735 17742 11110 1 17 . 1 1 6 6 LEU CB C 336 42.172 42.172 43.642 -1.470 17742 11111 1 17 . 1 1 6 6 LEU H H 336 8.775 8.775 9.036 -0.261 17742 11112 1 17 . 1 1 7 7 LEU HA H 337 3.669 3.669 4.335 -0.666 17742 11113 1 17 . 1 1 7 7 LEU CA C 337 59.053 59.053 57.970 1.083 17742 11114 1 17 . 1 1 7 7 LEU CB C 337 40.447 40.447 42.396 -1.949 17742 11115 1 17 . 1 1 8 8 TRP N N 338 114.197 114.197 118.465 -4.268 17742 11116 1 17 . 1 1 8 8 TRP HA H 338 3.747 3.747 4.551 -0.804 17742 11117 1 17 . 1 1 8 8 TRP CA C 338 60.071 60.071 59.853 0.218 17742 11118 1 17 . 1 1 8 8 TRP CB C 338 28.481 28.481 28.247 0.234 17742 11119 1 17 . 1 1 8 8 TRP H H 338 7.595 7.595 7.995 -0.400 17742 11120 1 17 . 1 1 9 9 ASP HA H 339 3.648 3.648 4.611 -0.963 17742 11121 1 17 . 1 1 9 9 ASP C C 339 177.491 177.491 177.612 -0.121 17742 11122 1 17 . 1 1 9 9 ASP CA C 339 56.197 56.197 56.422 -0.226 17742 11123 1 17 . 1 1 9 9 ASP CB C 339 41.702 41.702 40.041 1.661 17742 11124 1 17 . 1 1 10 10 TYR N N 340 120.786 120.786 121.361 -0.575 17742 11125 1 17 . 1 1 10 10 TYR HA H 340 3.851 3.851 4.071 -0.220 17742 11126 1 17 . 1 1 10 10 TYR C C 340 177.016 177.016 177.308 -0.292 17742 11127 1 17 . 1 1 10 10 TYR CA C 340 61.921 61.921 61.111 0.811 17742 11128 1 17 . 1 1 10 10 TYR CB C 340 39.202 39.202 38.730 0.472 17742 11129 1 17 . 1 1 10 10 TYR H H 340 7.929 7.929 7.526 0.403 17742 11130 1 17 . 1 1 11 11 VAL N N 341 114.828 114.828 119.305 -4.477 17742 11131 1 17 . 1 1 11 11 VAL HA H 341 2.982 2.982 3.521 -0.539 17742 11132 1 17 . 1 1 11 11 VAL C C 341 176.795 176.795 177.289 -0.494 17742 11133 1 17 . 1 1 11 11 VAL CA C 341 66.855 66.855 65.926 0.929 17742 11134 1 17 . 1 1 11 11 VAL CB C 341 31.152 31.152 31.442 -0.290 17742 11135 1 17 . 1 1 11 11 VAL H H 341 8.291 8.291 8.400 -0.109 17742 11136 1 17 . 1 1 12 12 TYR N N 342 119.177 119.177 120.565 -1.388 17742 11137 1 17 . 1 1 12 12 TYR HA H 342 3.617 3.617 3.884 -0.267 17742 11138 1 17 . 1 1 12 12 TYR C C 342 178.765 178.765 177.583 1.182 17742 11139 1 17 . 1 1 12 12 TYR CA C 342 62.960 62.960 61.404 1.556 17742 11140 1 17 . 1 1 12 12 TYR CB C 342 38.232 38.232 38.094 0.138 17742 11141 1 17 . 1 1 12 12 TYR H H 342 7.712 7.712 7.907 -0.195 17742 11142 1 17 . 1 1 13 13 GLN N N 343 118.873 118.873 118.887 -0.014 17742 11143 1 17 . 1 1 13 13 GLN HA H 343 3.833 3.833 3.890 -0.057 17742 11144 1 17 . 1 1 13 13 GLN C C 343 179.917 179.917 177.991 1.926 17742 11145 1 17 . 1 1 13 13 GLN CA C 343 58.821 58.821 57.737 1.084 17742 11146 1 17 . 1 1 13 13 GLN CB C 343 27.649 27.649 27.920 -0.271 17742 11147 1 17 . 1 1 13 13 GLN H H 343 8.076 8.076 7.674 0.402 17742 11148 1 17 . 1 1 14 14 LEU N N 344 121.381 121.381 118.523 2.858 17742 11149 1 17 . 1 1 14 14 LEU HA H 344 3.611 3.611 3.661 -0.050 17742 11150 1 17 . 1 1 14 14 LEU C C 344 179.861 179.861 178.416 1.445 17742 11151 1 17 . 1 1 14 14 LEU CA C 344 58.121 58.121 56.885 1.236 17742 11152 1 17 . 1 1 14 14 LEU CB C 344 41.382 41.382 41.419 -0.036 17742 11153 1 17 . 1 1 14 14 LEU H H 344 7.772 7.772 7.366 0.406 17742 11154 1 17 . 1 1 15 15 LEU N N 345 116.801 116.801 116.043 0.758 17742 11155 1 17 . 1 1 15 15 LEU HA H 345 3.513 3.513 3.986 -0.473 17742 11156 1 17 . 1 1 15 15 LEU C C 345 178.221 178.221 178.404 -0.183 17742 11157 1 17 . 1 1 15 15 LEU CA C 345 56.568 56.568 56.569 -0.001 17742 11158 1 17 . 1 1 15 15 LEU CB C 345 41.431 41.431 41.653 -0.222 17742 11159 1 17 . 1 1 15 15 LEU H H 345 7.546 7.546 7.284 0.262 17742 11160 1 17 . 1 1 16 16 SER N N 346 112.511 112.511 112.341 0.170 17742 11161 1 17 . 1 1 16 16 SER HA H 346 4.542 4.542 4.422 0.120 17742 11162 1 17 . 1 1 16 16 SER C C 346 172.510 172.510 174.549 -2.039 17742 11163 1 17 . 1 1 16 16 SER CA C 346 58.891 58.891 59.908 -1.017 17742 11164 1 17 . 1 1 16 16 SER CB C 346 63.993 63.993 63.676 0.317 17742 11165 1 17 . 1 1 16 16 SER H H 346 7.277 7.277 7.165 0.112 17742 11166 1 17 . 1 1 17 17 ASP N N 347 122.234 122.234 122.615 -0.381 17742 11167 1 17 . 1 1 17 17 ASP HA H 347 4.969 4.969 4.959 0.010 17742 11168 1 17 . 1 1 17 17 ASP C C 347 175.703 175.703 176.138 -0.435 17742 11169 1 17 . 1 1 17 17 ASP CA C 347 52.761 52.761 53.617 -0.856 17742 11170 1 17 . 1 1 17 17 ASP CB C 347 43.427 43.427 42.772 0.655 17742 11171 1 17 . 1 1 17 17 ASP H H 347 7.353 7.353 7.434 -0.081 17742 11172 1 17 . 1 1 18 18 SER N N 348 120.139 120.139 118.149 1.990 17742 11173 1 17 . 1 1 18 18 SER HA H 348 4.371 4.371 4.246 0.125 17742 11174 1 17 . 1 1 18 18 SER C C 348 176.259 176.259 175.931 0.328 17742 11175 1 17 . 1 1 18 18 SER CA C 348 61.131 61.131 60.533 0.598 17742 11176 1 17 . 1 1 18 18 SER CB C 348 63.177 63.177 63.468 -0.291 17742 11177 1 17 . 1 1 18 18 SER H H 348 8.691 8.691 8.892 -0.201 17742 11178 1 17 . 1 1 19 19 ARG N N 349 122.716 122.716 121.695 1.021 17742 11179 1 17 . 1 1 19 19 ARG HA H 349 4.114 4.114 3.930 0.184 17742 11180 1 17 . 1 1 19 19 ARG C C 349 178.154 178.154 177.216 0.938 17742 11181 1 17 . 1 1 19 19 ARG CA C 349 58.531 58.531 58.628 -0.097 17742 11182 1 17 . 1 1 19 19 ARG CB C 349 29.794 29.794 29.227 0.567 17742 11183 1 17 . 1 1 19 19 ARG H H 349 8.586 8.586 8.117 0.469 17742 11184 1 17 . 1 1 20 20 TYR N N 350 116.201 116.201 116.992 -0.791 17742 11185 1 17 . 1 1 20 20 TYR HA H 350 4.883 4.883 4.893 -0.010 17742 11186 1 17 . 1 1 20 20 TYR C C 350 177.029 177.029 176.271 0.758 17742 11187 1 17 . 1 1 20 20 TYR CA C 350 58.741 58.741 56.882 1.859 17742 11188 1 17 . 1 1 20 20 TYR CB C 350 37.642 37.642 36.503 1.139 17742 11189 1 17 . 1 1 20 20 TYR H H 350 8.291 8.291 7.670 0.621 17742 11190 1 17 . 1 1 21 21 GLU N N 351 120.803 120.803 121.141 -0.338 17742 11191 1 17 . 1 1 21 21 GLU HA H 351 4.466 4.466 4.218 0.248 17742 11192 1 17 . 1 1 21 21 GLU C C 351 176.324 176.324 176.647 -0.323 17742 11193 1 17 . 1 1 21 21 GLU CA C 351 59.132 59.132 59.037 0.095 17742 11194 1 17 . 1 1 21 21 GLU CB C 351 29.864 29.864 28.598 1.266 17742 11195 1 17 . 1 1 21 21 GLU H H 351 7.513 7.513 7.947 -0.434 17742 11196 1 17 . 1 1 22 22 ASN N N 352 114.531 114.531 115.481 -0.950 17742 11197 1 17 . 1 1 22 22 ASN HA H 352 4.492 4.492 4.565 -0.073 17742 11198 1 17 . 1 1 22 22 ASN C C 352 174.497 174.497 175.501 -1.004 17742 11199 1 17 . 1 1 22 22 ASN CA C 352 54.122 54.122 53.664 0.458 17742 11200 1 17 . 1 1 22 22 ASN CB C 352 36.935 36.935 38.869 -1.934 17742 11201 1 17 . 1 1 22 22 ASN H H 352 8.649 8.649 8.297 0.352 17742 11202 1 17 . 1 1 23 23 PHE N N 353 115.501 115.501 116.533 -1.032 17742 11203 1 17 . 1 1 23 23 PHE HA H 353 4.751 4.751 4.556 0.195 17742 11204 1 17 . 1 1 23 23 PHE C C 353 176.442 176.442 175.138 1.304 17742 11205 1 17 . 1 1 23 23 PHE CB C 353 41.502 41.502 41.815 -0.313 17742 11206 1 17 . 1 1 23 23 PHE H H 353 8.555 8.555 7.957 0.598 17742 11207 1 17 . 1 1 24 24 ILE N N 354 120.734 120.734 117.573 3.161 17742 11208 1 17 . 1 1 24 24 ILE HA H 354 5.059 5.059 4.937 0.122 17742 11209 1 17 . 1 1 24 24 ILE C C 354 179.332 179.332 173.124 6.208 17742 11210 1 17 . 1 1 24 24 ILE CA C 354 59.831 59.831 60.330 -0.499 17742 11211 1 17 . 1 1 24 24 ILE CB C 354 40.623 40.623 41.960 -1.337 17742 11212 1 17 . 1 1 24 24 ILE H H 354 8.428 8.428 8.709 -0.281 17742 11213 1 17 . 1 1 25 25 ARG N N 355 121.187 121.187 122.859 -1.672 17742 11214 1 17 . 1 1 25 25 ARG HA H 355 4.904 4.904 4.854 0.050 17742 11215 1 17 . 1 1 25 25 ARG C C 355 175.152 175.152 174.084 1.068 17742 11216 1 17 . 1 1 25 25 ARG CA C 355 54.529 54.529 54.360 0.169 17742 11217 1 17 . 1 1 25 25 ARG CB C 355 33.599 33.599 33.434 0.165 17742 11218 1 17 . 1 1 25 25 ARG H H 355 8.671 8.671 8.652 0.019 17742 11219 1 17 . 1 1 26 26 TRP N N 356 122.024 122.024 122.714 -0.690 17742 11220 1 17 . 1 1 26 26 TRP HA H 356 4.884 4.884 4.732 0.152 17742 11221 1 17 . 1 1 26 26 TRP C C 356 176.642 176.642 177.167 -0.525 17742 11222 1 17 . 1 1 26 26 TRP CA C 356 57.960 57.960 57.835 0.125 17742 11223 1 17 . 1 1 26 26 TRP CB C 356 30.634 30.634 29.454 1.180 17742 11224 1 17 . 1 1 26 26 TRP H H 356 9.159 9.159 8.861 0.298 17742 11225 1 17 . 1 1 27 27 GLU N N 357 125.331 125.331 124.086 1.245 17742 11226 1 17 . 1 1 27 27 GLU HA H 357 4.681 4.681 4.480 0.201 17742 11227 1 17 . 1 1 27 27 GLU C C 357 176.775 176.775 177.031 -0.256 17742 11228 1 17 . 1 1 27 27 GLU CA C 357 56.990 56.990 57.742 -0.752 17742 11229 1 17 . 1 1 27 27 GLU CB C 357 31.579 31.579 30.865 0.714 17742 11230 1 17 . 1 1 27 27 GLU H H 357 9.504 9.504 8.593 0.911 17742 11231 1 17 . 1 1 28 28 ASP N N 358 116.213 116.213 120.950 -4.737 17742 11232 1 17 . 1 1 28 28 ASP HA H 358 4.771 4.771 4.972 -0.201 17742 11233 1 17 . 1 1 28 28 ASP C C 358 176.167 176.167 175.517 0.650 17742 11234 1 17 . 1 1 28 28 ASP CA C 358 53.541 53.541 53.960 -0.419 17742 11235 1 17 . 1 1 28 28 ASP CB C 358 41.932 41.932 41.315 0.617 17742 11236 1 17 . 1 1 28 28 ASP H H 358 7.846 7.846 8.674 -0.828 17742 11237 1 17 . 1 1 29 29 LYS N N 359 127.762 127.762 123.303 4.459 17742 11238 1 17 . 1 1 29 29 LYS HA H 359 3.157 3.157 2.980 0.177 17742 11239 1 17 . 1 1 29 29 LYS C C 359 178.776 178.776 177.930 0.846 17742 11240 1 17 . 1 1 29 29 LYS CA C 359 60.229 60.229 58.680 1.549 17742 11241 1 17 . 1 1 29 29 LYS CB C 359 32.734 32.734 31.964 0.770 17742 11242 1 17 . 1 1 29 29 LYS H H 359 9.216 9.216 8.651 0.565 17742 11243 1 17 . 1 1 30 30 GLU N N 360 119.601 119.601 116.743 2.858 17742 11244 1 17 . 1 1 30 30 GLU HA H 360 3.925 3.925 4.072 -0.147 17742 11245 1 17 . 1 1 30 30 GLU C C 360 178.684 178.684 176.888 1.796 17742 11246 1 17 . 1 1 30 30 GLU CA C 360 59.570 59.570 58.853 0.717 17742 11247 1 17 . 1 1 30 30 GLU CB C 360 29.177 29.177 29.271 -0.094 17742 11248 1 17 . 1 1 30 30 GLU H H 360 8.340 8.340 8.311 0.029 17742 11249 1 17 . 1 1 31 31 SER N N 361 113.301 113.301 113.225 0.076 17742 11250 1 17 . 1 1 31 31 SER HA H 361 4.494 4.494 4.452 0.042 17742 11251 1 17 . 1 1 31 31 SER C C 361 172.357 172.357 174.573 -2.216 17742 11252 1 17 . 1 1 31 31 SER CA C 361 58.807 58.807 58.874 -0.067 17742 11253 1 17 . 1 1 31 31 SER CB C 361 63.768 63.768 63.184 0.584 17742 11254 1 17 . 1 1 31 31 SER H H 361 7.463 7.463 8.189 -0.726 17742 11255 1 17 . 1 1 32 32 LYS N N 362 115.170 115.170 114.007 1.163 17742 11256 1 17 . 1 1 32 32 LYS HA H 362 3.910 3.910 4.147 -0.237 17742 11257 1 17 . 1 1 32 32 LYS C C 362 175.500 175.500 175.073 0.427 17742 11258 1 17 . 1 1 32 32 LYS CA C 362 57.630 57.630 56.769 0.861 17742 11259 1 17 . 1 1 32 32 LYS CB C 362 29.801 29.801 29.879 -0.078 17742 11260 1 17 . 1 1 32 32 LYS H H 362 7.752 7.752 7.921 -0.169 17742 11261 1 17 . 1 1 33 33 ILE N N 363 118.274 118.274 120.864 -2.590 17742 11262 1 17 . 1 1 33 33 ILE HA H 363 5.375 5.375 4.910 0.465 17742 11263 1 17 . 1 1 33 33 ILE C C 363 177.068 177.068 175.686 1.382 17742 11264 1 17 . 1 1 33 33 ILE CA C 363 60.428 60.428 60.417 0.011 17742 11265 1 17 . 1 1 33 33 ILE CB C 363 40.206 40.206 38.008 2.198 17742 11266 1 17 . 1 1 33 33 ILE H H 363 8.262 8.262 8.118 0.144 17742 11267 1 17 . 1 1 34 34 PHE N N 364 128.285 128.285 126.393 1.892 17742 11268 1 17 . 1 1 34 34 PHE HA H 364 5.566 5.566 5.208 0.358 17742 11269 1 17 . 1 1 34 34 PHE C C 364 179.560 179.560 172.903 6.657 17742 11270 1 17 . 1 1 34 34 PHE CA C 364 55.080 55.080 55.227 -0.147 17742 11271 1 17 . 1 1 34 34 PHE CB C 364 44.097 44.097 42.602 1.495 17742 11272 1 17 . 1 1 34 34 PHE H H 364 9.936 9.936 9.077 0.859 17742 11273 1 17 . 1 1 35 35 ARG N N 365 120.953 120.953 123.292 -2.339 17742 11274 1 17 . 1 1 35 35 ARG HA H 365 5.484 5.484 4.570 0.914 17742 11275 1 17 . 1 1 35 35 ARG C C 365 176.522 176.522 174.447 2.075 17742 11276 1 17 . 1 1 35 35 ARG CA C 365 53.584 53.584 53.639 -0.055 17742 11277 1 17 . 1 1 35 35 ARG CB C 365 36.439 36.439 33.706 2.733 17742 11278 1 17 . 1 1 35 35 ARG H H 365 9.430 9.430 8.840 0.590 17742 11279 1 17 . 1 1 36 36 ILE N N 366 125.455 125.455 127.363 -1.908 17742 11280 1 17 . 1 1 36 36 ILE HA H 366 4.201 4.201 4.080 0.121 17742 11281 1 17 . 1 1 36 36 ILE C C 366 173.923 173.923 175.523 -1.600 17742 11282 1 17 . 1 1 36 36 ILE CA C 366 63.110 63.110 61.919 1.190 17742 11283 1 17 . 1 1 36 36 ILE CB C 366 37.964 37.964 37.598 0.366 17742 11284 1 17 . 1 1 36 36 ILE H H 366 8.639 8.639 8.040 0.599 17742 11285 1 17 . 1 1 37 37 VAL N N 367 129.251 129.251 129.088 0.163 17742 11286 1 17 . 1 1 37 37 VAL HA H 367 3.674 3.674 3.795 -0.121 17742 11287 1 17 . 1 1 37 37 VAL C C 367 175.948 175.948 175.964 -0.016 17742 11288 1 17 . 1 1 37 37 VAL CA C 367 64.171 64.171 65.387 -1.216 17742 11289 1 17 . 1 1 37 37 VAL CB C 367 32.870 32.870 32.468 0.402 17742 11290 1 17 . 1 1 37 37 VAL H H 367 7.839 7.839 8.603 -0.764 17742 11291 1 17 . 1 1 38 38 ASP N N 368 114.991 114.991 118.923 -3.932 17742 11292 1 17 . 1 1 38 38 ASP HA H 368 5.213 5.213 5.054 0.159 17742 11293 1 17 . 1 1 38 38 ASP CA C 368 50.242 50.242 50.504 -0.262 17742 11294 1 17 . 1 1 38 38 ASP CB C 368 42.169 42.169 41.761 0.407 17742 11295 1 17 . 1 1 38 38 ASP H H 368 7.279 7.279 7.855 -0.576 17742 11296 1 17 . 1 1 39 39 PRO HA H 369 3.794 3.794 4.343 -0.549 17742 11297 1 17 . 1 1 39 39 PRO C C 369 178.037 178.037 178.276 -0.239 17742 11298 1 17 . 1 1 39 39 PRO CA C 369 65.619 65.619 65.910 -0.291 17742 11299 1 17 . 1 1 39 39 PRO CB C 369 31.057 31.057 31.753 -0.696 17742 11300 1 17 . 1 1 40 40 ASN N N 370 115.439 115.439 116.136 -0.697 17742 11301 1 17 . 1 1 40 40 ASN HA H 370 4.596 4.596 4.630 -0.034 17742 11302 1 17 . 1 1 40 40 ASN C C 370 178.570 178.570 177.813 0.757 17742 11303 1 17 . 1 1 40 40 ASN CA C 370 56.501 56.501 56.102 0.399 17742 11304 1 17 . 1 1 40 40 ASN CB C 370 38.012 38.012 37.950 0.062 17742 11305 1 17 . 1 1 40 40 ASN H H 370 8.121 8.121 8.747 -0.626 17742 11306 1 17 . 1 1 41 41 GLY N N 371 111.317 111.317 108.581 2.736 17742 11307 1 17 . 1 1 41 41 GLY C C 371 176.090 176.090 176.587 -0.497 17742 11308 1 17 . 1 1 41 41 GLY CA C 371 47.932 47.932 46.982 0.950 17742 11309 1 17 . 1 1 41 41 GLY H H 371 8.622 8.622 8.165 0.457 17742 11310 1 17 . 1 1 42 42 LEU N N 372 122.892 122.892 123.988 -1.096 17742 11311 1 17 . 1 1 42 42 LEU HA H 372 4.031 4.031 4.222 -0.191 17742 11312 1 17 . 1 1 42 42 LEU C C 372 177.766 177.766 178.894 -1.128 17742 11313 1 17 . 1 1 42 42 LEU CA C 372 57.830 57.830 57.786 0.044 17742 11314 1 17 . 1 1 42 42 LEU CB C 372 42.132 42.132 41.320 0.812 17742 11315 1 17 . 1 1 42 42 LEU H H 372 8.881 8.881 8.663 0.218 17742 11316 1 17 . 1 1 43 43 ALA N N 373 120.112 120.112 121.478 -1.366 17742 11317 1 17 . 1 1 43 43 ALA HA H 373 4.458 4.458 4.171 0.287 17742 11318 1 17 . 1 1 43 43 ALA C C 373 179.093 179.093 179.990 -0.897 17742 11319 1 17 . 1 1 43 43 ALA CA C 373 55.451 55.451 55.178 0.273 17742 11320 1 17 . 1 1 43 43 ALA CB C 373 18.324 18.324 18.520 -0.196 17742 11321 1 17 . 1 1 43 43 ALA H H 373 8.072 8.072 8.903 -0.831 17742 11322 1 17 . 1 1 44 44 ARG N N 374 117.916 117.916 118.468 -0.552 17742 11323 1 17 . 1 1 44 44 ARG HA H 374 4.093 4.093 4.103 -0.010 17742 11324 1 17 . 1 1 44 44 ARG C C 374 179.473 179.473 179.155 0.318 17742 11325 1 17 . 1 1 44 44 ARG CA C 374 59.372 59.372 58.332 1.040 17742 11326 1 17 . 1 1 44 44 ARG CB C 374 30.114 30.114 29.672 0.442 17742 11327 1 17 . 1 1 44 44 ARG H H 374 7.769 7.769 7.864 -0.095 17742 11328 1 17 . 1 1 45 45 LEU N N 375 121.489 121.489 120.015 1.474 17742 11329 1 17 . 1 1 45 45 LEU HA H 375 4.007 4.007 4.040 -0.033 17742 11330 1 17 . 1 1 45 45 LEU C C 375 180.049 180.049 179.366 0.683 17742 11331 1 17 . 1 1 45 45 LEU CA C 375 58.390 58.390 57.974 0.416 17742 11332 1 17 . 1 1 45 45 LEU CB C 375 41.552 41.552 41.629 -0.077 17742 11333 1 17 . 1 1 45 45 LEU H H 375 7.903 7.903 8.321 -0.418 17742 11334 1 17 . 1 1 46 46 TRP N N 376 121.466 121.466 120.913 0.553 17742 11335 1 17 . 1 1 46 46 TRP HA H 376 4.089 4.089 3.662 0.427 17742 11336 1 17 . 1 1 46 46 TRP C C 376 177.939 177.939 178.348 -0.409 17742 11337 1 17 . 1 1 46 46 TRP CA C 376 60.022 60.022 60.136 -0.114 17742 11338 1 17 . 1 1 46 46 TRP CB C 376 28.817 28.817 29.106 -0.289 17742 11339 1 17 . 1 1 46 46 TRP H H 376 8.633 8.633 8.647 -0.014 17742 11340 1 17 . 1 1 47 47 GLY N N 377 105.142 105.142 105.850 -0.708 17742 11341 1 17 . 1 1 47 47 GLY C C 377 176.128 176.128 175.707 0.421 17742 11342 1 17 . 1 1 47 47 GLY CA C 377 48.035 48.035 47.072 0.963 17742 11343 1 17 . 1 1 47 47 GLY H H 377 8.828 8.828 8.608 0.220 17742 11344 1 17 . 1 1 48 48 ASN N N 378 120.327 120.327 118.843 1.484 17742 11345 1 17 . 1 1 48 48 ASN HA H 378 4.402 4.402 4.341 0.061 17742 11346 1 17 . 1 1 48 48 ASN C C 378 178.625 178.625 176.121 2.504 17742 11347 1 17 . 1 1 48 48 ASN CA C 378 56.231 56.231 55.197 1.034 17742 11348 1 17 . 1 1 48 48 ASN CB C 378 38.132 38.132 38.344 -0.212 17742 11349 1 17 . 1 1 48 48 ASN H H 378 8.212 8.212 7.602 0.610 17742 11350 1 17 . 1 1 49 49 HIS N N 379 121.871 121.871 116.671 5.200 17742 11351 1 17 . 1 1 49 49 HIS HA H 379 4.205 4.205 4.334 -0.129 17742 11352 1 17 . 1 1 49 49 HIS C C 379 176.086 176.086 175.265 0.821 17742 11353 1 17 . 1 1 49 49 HIS CA C 379 59.390 59.390 57.303 2.087 17742 11354 1 17 . 1 1 49 49 HIS CB C 379 29.564 29.564 29.916 -0.352 17742 11355 1 17 . 1 1 49 49 HIS H H 379 8.094 8.094 7.184 0.910 17742 11356 1 17 . 1 1 50 50 LYS N N 380 115.181 115.181 117.497 -2.316 17742 11357 1 17 . 1 1 50 50 LYS HA H 380 3.911 3.911 4.137 -0.226 17742 11358 1 17 . 1 1 50 50 LYS C C 380 175.348 175.348 175.005 0.343 17742 11359 1 17 . 1 1 50 50 LYS CA C 380 53.632 53.632 54.003 -0.371 17742 11360 1 17 . 1 1 50 50 LYS CB C 380 30.742 30.742 31.772 -1.030 17742 11361 1 17 . 1 1 50 50 LYS H H 380 7.482 7.482 7.280 0.202 17742 11362 1 17 . 1 1 51 51 ASN N N 381 116.362 116.362 114.836 1.526 17742 11363 1 17 . 1 1 51 51 ASN HA H 381 4.259 4.259 4.237 0.022 17742 11364 1 17 . 1 1 51 51 ASN C C 381 174.400 174.400 174.298 0.102 17742 11365 1 17 . 1 1 51 51 ASN CA C 381 54.312 54.312 54.340 -0.028 17742 11366 1 17 . 1 1 51 51 ASN CB C 381 37.272 37.272 37.309 -0.037 17742 11367 1 17 . 1 1 51 51 ASN H H 381 7.753 7.753 7.847 -0.094 17742 11368 1 17 . 1 1 52 52 ARG N N 382 117.723 117.723 117.479 0.244 17742 11369 1 17 . 1 1 52 52 ARG HA H 382 4.658 4.658 4.648 0.010 17742 11370 1 17 . 1 1 52 52 ARG C C 382 176.209 176.209 175.571 0.638 17742 11371 1 17 . 1 1 52 52 ARG CA C 382 53.668 53.668 53.781 -0.113 17742 11372 1 17 . 1 1 52 52 ARG CB C 382 32.212 32.212 32.894 -0.682 17742 11373 1 17 . 1 1 52 52 ARG H H 382 8.476 8.476 8.069 0.407 17742 11374 1 17 . 1 1 53 53 THR N N 383 114.109 114.109 113.954 0.155 17742 11375 1 17 . 1 1 53 53 THR HA H 383 4.221 4.221 4.275 -0.054 17742 11376 1 17 . 1 1 53 53 THR C C 383 174.644 174.644 175.550 -0.906 17742 11377 1 17 . 1 1 53 53 THR CA C 383 62.187 62.187 63.052 -0.865 17742 11378 1 17 . 1 1 53 53 THR CB C 383 69.710 69.710 69.139 0.571 17742 11379 1 17 . 1 1 53 53 THR H H 383 8.333 8.333 8.357 -0.024 17742 11380 1 17 . 1 1 54 54 ASN N N 384 118.768 118.768 120.910 -2.142 17742 11381 1 17 . 1 1 54 54 ASN HA H 384 4.609 4.609 4.762 -0.153 17742 11382 1 17 . 1 1 54 54 ASN C C 384 174.975 174.975 173.836 1.139 17742 11383 1 17 . 1 1 54 54 ASN CA C 384 53.193 53.193 53.100 0.093 17742 11384 1 17 . 1 1 54 54 ASN CB C 384 37.632 37.632 37.171 0.461 17742 11385 1 17 . 1 1 54 54 ASN H H 384 8.521 8.521 8.520 0.001 17742 11386 1 17 . 1 1 55 55 MET N N 385 119.621 119.621 122.336 -2.715 17742 11387 1 17 . 1 1 55 55 MET HA H 385 4.566 4.566 4.511 0.055 17742 11388 1 17 . 1 1 55 55 MET C C 385 175.078 175.078 175.075 0.003 17742 11389 1 17 . 1 1 55 55 MET CA C 385 55.298 55.298 54.806 0.492 17742 11390 1 17 . 1 1 55 55 MET CB C 385 31.244 31.244 32.265 -1.021 17742 11391 1 17 . 1 1 55 55 MET H H 385 8.162 8.162 7.942 0.220 17742 11392 1 17 . 1 1 56 56 THR N N 386 113.114 113.114 121.521 -8.407 17742 11393 1 17 . 1 1 56 56 THR HA H 386 4.824 4.824 4.712 0.112 17742 11394 1 17 . 1 1 56 56 THR C C 386 175.549 175.549 175.204 0.345 17742 11395 1 17 . 1 1 56 56 THR CA C 386 59.060 59.060 61.781 -2.721 17742 11396 1 17 . 1 1 56 56 THR CB C 386 72.290 72.290 70.345 1.945 17742 11397 1 17 . 1 1 56 56 THR H H 386 7.031 7.031 7.883 -0.853 17742 11398 1 17 . 1 1 57 57 TYR N N 387 123.401 123.401 126.080 -2.679 17742 11399 1 17 . 1 1 57 57 TYR HA H 387 4.134 4.134 4.132 0.002 17742 11400 1 17 . 1 1 57 57 TYR C C 387 177.304 177.304 177.382 -0.078 17742 11401 1 17 . 1 1 57 57 TYR CA C 387 62.300 62.300 63.388 -1.088 17742 11402 1 17 . 1 1 57 57 TYR CB C 387 37.359 37.359 38.874 -1.515 17742 11403 1 17 . 1 1 57 57 TYR H H 387 9.691 9.691 8.966 0.725 17742 11404 1 17 . 1 1 58 58 GLU N N 388 120.999 120.999 116.662 4.337 17742 11405 1 17 . 1 1 58 58 GLU HA H 388 3.823 3.823 4.063 -0.240 17742 11406 1 17 . 1 1 58 58 GLU C C 388 179.213 179.213 178.120 1.093 17742 11407 1 17 . 1 1 58 58 GLU CA C 388 60.477 60.477 59.469 1.008 17742 11408 1 17 . 1 1 58 58 GLU CB C 388 28.895 28.895 29.010 -0.115 17742 11409 1 17 . 1 1 58 58 GLU H H 388 8.838 8.838 9.024 -0.186 17742 11410 1 17 . 1 1 59 59 LYS N N 389 118.962 118.962 117.309 1.653 17742 11411 1 17 . 1 1 59 59 LYS HA H 389 3.939 3.939 4.199 -0.260 17742 11412 1 17 . 1 1 59 59 LYS C C 389 178.797 178.797 178.699 0.098 17742 11413 1 17 . 1 1 59 59 LYS CA C 389 60.065 60.065 58.519 1.546 17742 11414 1 17 . 1 1 59 59 LYS CB C 389 33.378 33.378 32.769 0.609 17742 11415 1 17 . 1 1 59 59 LYS H H 389 7.506 7.506 7.766 -0.260 17742 11416 1 17 . 1 1 60 60 MET N N 390 120.087 120.087 119.709 0.378 17742 11417 1 17 . 1 1 60 60 MET HA H 390 3.869 3.869 4.440 -0.571 17742 11418 1 17 . 1 1 60 60 MET C C 390 178.146 178.146 177.638 0.508 17742 11419 1 17 . 1 1 60 60 MET CA C 390 59.776 59.776 58.290 1.486 17742 11420 1 17 . 1 1 60 60 MET CB C 390 33.462 33.462 33.307 0.155 17742 11421 1 17 . 1 1 60 60 MET H H 390 8.051 8.051 7.960 0.091 17742 11422 1 17 . 1 1 61 61 SER N N 391 114.537 114.537 115.129 -0.592 17742 11423 1 17 . 1 1 61 61 SER HA H 391 3.786 3.786 3.801 -0.015 17742 11424 1 17 . 1 1 61 61 SER C C 391 176.380 176.380 176.017 0.363 17742 11425 1 17 . 1 1 61 61 SER CA C 391 61.600 61.600 61.459 0.141 17742 11426 1 17 . 1 1 61 61 SER CB C 391 62.251 62.251 62.766 -0.515 17742 11427 1 17 . 1 1 61 61 SER H H 391 8.853 8.853 8.596 0.257 17742 11428 1 17 . 1 1 62 62 ARG N N 392 122.214 122.214 121.528 0.686 17742 11429 1 17 . 1 1 62 62 ARG HA H 392 3.928 3.928 4.043 -0.115 17742 11430 1 17 . 1 1 62 62 ARG C C 392 178.732 178.732 177.761 0.971 17742 11431 1 17 . 1 1 62 62 ARG CA C 392 59.490 59.490 58.223 1.267 17742 11432 1 17 . 1 1 62 62 ARG CB C 392 30.207 30.207 28.913 1.294 17742 11433 1 17 . 1 1 62 62 ARG H H 392 7.471 7.471 8.124 -0.653 17742 11434 1 17 . 1 1 63 63 ALA N N 393 121.091 121.091 121.489 -0.398 17742 11435 1 17 . 1 1 63 63 ALA HA H 393 4.162 4.162 4.128 0.034 17742 11436 1 17 . 1 1 63 63 ALA C C 393 179.699 179.699 178.753 0.946 17742 11437 1 17 . 1 1 63 63 ALA CA C 393 54.722 54.722 53.989 0.733 17742 11438 1 17 . 1 1 63 63 ALA CB C 393 18.154 18.154 18.170 -0.016 17742 11439 1 17 . 1 1 63 63 ALA H H 393 7.376 7.376 7.477 -0.101 17742 11440 1 17 . 1 1 64 64 LEU N N 394 117.568 117.568 117.661 -0.093 17742 11441 1 17 . 1 1 64 64 LEU HA H 394 3.777 3.777 3.015 0.762 17742 11442 1 17 . 1 1 64 64 LEU C C 394 178.085 178.085 178.104 -0.019 17742 11443 1 17 . 1 1 64 64 LEU CA C 394 58.075 58.075 56.684 1.391 17742 11444 1 17 . 1 1 64 64 LEU CB C 394 41.052 41.052 40.957 0.095 17742 11445 1 17 . 1 1 64 64 LEU H H 394 7.853 7.853 6.880 0.973 17742 11446 1 17 . 1 1 65 65 ARG N N 395 116.111 116.111 118.075 -1.964 17742 11447 1 17 . 1 1 65 65 ARG HA H 395 3.529 3.529 4.128 -0.599 17742 11448 1 17 . 1 1 65 65 ARG C C 395 179.519 179.519 178.704 0.815 17742 11449 1 17 . 1 1 65 65 ARG CA C 395 59.133 59.133 58.926 0.207 17742 11450 1 17 . 1 1 65 65 ARG CB C 395 30.004 30.004 29.167 0.837 17742 11451 1 17 . 1 1 65 65 ARG H H 395 7.521 7.521 7.897 -0.376 17742 11452 1 17 . 1 1 66 66 HIS N N 396 118.081 118.081 116.431 1.650 17742 11453 1 17 . 1 1 66 66 HIS HA H 396 4.436 4.436 4.551 -0.115 17742 11454 1 17 . 1 1 66 66 HIS C C 396 177.826 177.826 177.815 0.011 17742 11455 1 17 . 1 1 66 66 HIS CA C 396 59.063 59.063 58.779 0.284 17742 11456 1 17 . 1 1 66 66 HIS CB C 396 30.154 30.154 28.951 1.204 17742 11457 1 17 . 1 1 66 66 HIS H H 396 7.241 7.241 7.365 -0.124 17742 11458 1 17 . 1 1 67 67 TYR N N 397 116.301 116.301 120.331 -4.030 17742 11459 1 17 . 1 1 67 67 TYR HA H 397 4.128 4.128 4.161 -0.033 17742 11460 1 17 . 1 1 67 67 TYR C C 397 179.075 179.075 178.036 1.039 17742 11461 1 17 . 1 1 67 67 TYR CA C 397 61.525 61.525 59.722 1.803 17742 11462 1 17 . 1 1 67 67 TYR CB C 397 37.522 37.522 36.710 0.812 17742 11463 1 17 . 1 1 67 67 TYR H H 397 7.532 7.532 7.292 0.240 17742 11464 1 17 . 1 1 68 68 TYR N N 398 121.389 121.389 117.243 4.146 17742 11465 1 17 . 1 1 68 68 TYR HA H 398 5.474 5.474 4.596 0.878 17742 11466 1 17 . 1 1 68 68 TYR C C 398 172.285 172.285 178.123 -5.838 17742 11467 1 17 . 1 1 68 68 TYR CA C 398 57.651 57.651 60.079 -2.428 17742 11468 1 17 . 1 1 68 68 TYR CB C 398 37.055 37.055 37.620 -0.565 17742 11469 1 17 . 1 1 68 68 TYR H H 398 8.061 8.061 7.876 0.185 17742 11470 1 17 . 1 1 69 69 LYS N N 399 121.098 121.098 118.220 2.878 17742 11471 1 17 . 1 1 69 69 LYS HA H 399 4.125 4.125 4.258 -0.133 17742 11472 1 17 . 1 1 69 69 LYS C C 399 178.122 178.122 177.937 0.185 17742 11473 1 17 . 1 1 69 69 LYS CA C 399 58.801 58.801 57.470 1.331 17742 11474 1 17 . 1 1 69 69 LYS CB C 399 32.242 32.242 32.225 0.017 17742 11475 1 17 . 1 1 69 69 LYS H H 399 7.799 7.799 7.584 0.215 17742 11476 1 17 . 1 1 70 70 LEU N N 400 116.117 116.117 118.841 -2.724 17742 11477 1 17 . 1 1 70 70 LEU HA H 400 4.312 4.312 4.255 0.057 17742 11478 1 17 . 1 1 70 70 LEU C C 400 175.903 175.903 176.325 -0.422 17742 11479 1 17 . 1 1 70 70 LEU CA C 400 54.642 54.642 55.136 -0.494 17742 11480 1 17 . 1 1 70 70 LEU CB C 400 42.796 42.796 41.158 1.638 17742 11481 1 17 . 1 1 70 70 LEU H H 400 7.257 7.257 8.363 -1.106 17742 11482 1 17 . 1 1 71 71 ASN N N 401 115.181 115.181 112.322 2.859 17742 11483 1 17 . 1 1 71 71 ASN HA H 401 4.368 4.368 4.454 -0.086 17742 11484 1 17 . 1 1 71 71 ASN C C 401 173.597 173.597 175.644 -2.047 17742 11485 1 17 . 1 1 71 71 ASN CA C 401 54.622 54.622 54.193 0.429 17742 11486 1 17 . 1 1 71 71 ASN CB C 401 37.252 37.252 35.954 1.298 17742 11487 1 17 . 1 1 71 71 ASN H H 401 8.061 8.061 8.204 -0.143 17742 11488 1 17 . 1 1 72 72 ILE N N 402 114.031 114.031 117.104 -3.073 17742 11489 1 17 . 1 1 72 72 ILE HA H 402 4.128 4.128 3.924 0.204 17742 11490 1 17 . 1 1 72 72 ILE C C 402 176.467 176.467 175.388 1.079 17742 11491 1 17 . 1 1 72 72 ILE CA C 402 63.720 63.720 64.262 -0.542 17742 11492 1 17 . 1 1 72 72 ILE CB C 402 40.491 40.491 38.982 1.509 17742 11493 1 17 . 1 1 72 72 ILE H H 402 8.104 8.104 8.217 -0.113 17742 11494 1 17 . 1 1 73 73 ILE N N 403 116.973 116.973 116.570 0.403 17742 11495 1 17 . 1 1 73 73 ILE HA H 403 5.014 5.014 5.151 -0.137 17742 11496 1 17 . 1 1 73 73 ILE C C 403 174.039 174.039 174.010 0.029 17742 11497 1 17 . 1 1 73 73 ILE CA C 403 59.357 59.357 59.391 -0.034 17742 11498 1 17 . 1 1 73 73 ILE CB C 403 43.362 43.362 41.602 1.760 17742 11499 1 17 . 1 1 73 73 ILE H H 403 7.099 7.099 7.295 -0.196 17742 11500 1 17 . 1 1 74 74 ARG N N 404 123.639 123.639 125.272 -1.633 17742 11501 1 17 . 1 1 74 74 ARG HA H 404 4.771 4.771 4.958 -0.187 17742 11502 1 17 . 1 1 74 74 ARG C C 404 174.917 174.917 174.005 0.912 17742 11503 1 17 . 1 1 74 74 ARG CA C 404 54.261 54.261 54.199 0.062 17742 11504 1 17 . 1 1 74 74 ARG CB C 404 34.689 34.689 33.672 1.017 17742 11505 1 17 . 1 1 74 74 ARG H H 404 8.983 8.983 8.198 0.785 17742 11506 1 17 . 1 1 75 75 LYS N N 405 125.665 125.665 121.243 4.422 17742 11507 1 17 . 1 1 75 75 LYS HA H 405 4.071 4.071 4.765 -0.694 17742 11508 1 17 . 1 1 75 75 LYS C C 405 176.525 176.525 176.288 0.237 17742 11509 1 17 . 1 1 75 75 LYS CA C 405 56.470 56.470 55.478 0.992 17742 11510 1 17 . 1 1 75 75 LYS CB C 405 32.649 32.649 33.603 -0.954 17742 11511 1 17 . 1 1 75 75 LYS H H 405 8.263 8.263 8.424 -0.161 17742 11512 1 17 . 1 1 76 76 GLU N N 406 128.072 128.072 124.211 3.861 17742 11513 1 17 . 1 1 76 76 GLU HA H 406 4.432 4.432 4.471 -0.039 17742 11514 1 17 . 1 1 76 76 GLU CA C 406 53.747 53.747 54.594 -0.847 17742 11515 1 17 . 1 1 76 76 GLU CB C 406 29.914 29.914 29.643 0.271 17742 11516 1 17 . 1 1 76 76 GLU H H 406 8.024 8.024 8.671 -0.647 17742 11517 1 17 . 1 1 77 77 PRO HA H 407 4.282 4.282 4.266 0.016 17742 11518 1 17 . 1 1 77 77 PRO C C 407 177.719 177.719 177.696 0.023 17742 11519 1 17 . 1 1 77 77 PRO CA C 407 63.407 63.407 64.355 -0.948 17742 11520 1 17 . 1 1 77 77 PRO CB C 407 32.184 32.184 31.178 1.006 17742 11521 1 17 . 1 1 78 78 GLY N N 408 109.716 109.716 111.797 -2.081 17742 11522 1 17 . 1 1 78 78 GLY C C 408 174.053 174.053 174.115 -0.062 17742 11523 1 17 . 1 1 78 78 GLY CA C 408 45.519 45.519 45.222 0.297 17742 11524 1 17 . 1 1 78 78 GLY H H 408 8.531 8.531 8.551 -0.020 17742 11525 1 17 . 1 1 79 79 GLN N N 409 116.964 116.964 118.234 -1.270 17742 11526 1 17 . 1 1 79 79 GLN HA H 409 4.488 4.488 4.725 -0.237 17742 11527 1 17 . 1 1 79 79 GLN C C 409 175.390 175.390 175.664 -0.274 17742 11528 1 17 . 1 1 79 79 GLN CA C 409 54.359 54.359 53.983 0.376 17742 11529 1 17 . 1 1 79 79 GLN CB C 409 31.202 31.202 30.911 0.291 17742 11530 1 17 . 1 1 79 79 GLN H H 409 7.559 7.559 7.777 -0.218 17742 11531 1 17 . 1 1 80 80 ARG N N 410 120.457 120.457 120.209 0.248 17742 11532 1 17 . 1 1 80 80 ARG HA H 410 4.262 4.262 4.289 -0.027 17742 11533 1 17 . 1 1 80 80 ARG C C 410 176.270 176.270 177.380 -1.110 17742 11534 1 17 . 1 1 80 80 ARG CA C 410 56.821 56.821 56.848 -0.027 17742 11535 1 17 . 1 1 80 80 ARG CB C 410 31.502 31.502 29.663 1.839 17742 11536 1 17 . 1 1 80 80 ARG H H 410 8.251 8.251 8.588 -0.337 17742 11537 1 17 . 1 1 81 81 LEU N N 411 119.348 119.348 121.086 -1.738 17742 11538 1 17 . 1 1 81 81 LEU HA H 411 4.023 4.023 4.419 -0.396 17742 11539 1 17 . 1 1 81 81 LEU C C 411 173.279 173.279 175.442 -2.163 17742 11540 1 17 . 1 1 81 81 LEU CA C 411 55.030 55.030 53.822 1.208 17742 11541 1 17 . 1 1 81 81 LEU CB C 411 40.335 40.335 40.797 -0.462 17742 11542 1 17 . 1 1 81 81 LEU H H 411 8.435 8.435 8.280 0.155 17742 11543 1 17 . 1 1 82 82 LEU N N 412 119.070 119.070 121.386 -2.316 17742 11544 1 17 . 1 1 82 82 LEU HA H 412 5.013 5.013 4.283 0.730 17742 11545 1 17 . 1 1 82 82 LEU C C 412 175.361 175.361 175.828 -0.467 17742 11546 1 17 . 1 1 82 82 LEU CA C 412 53.212 53.212 54.110 -0.898 17742 11547 1 17 . 1 1 82 82 LEU CB C 412 45.471 45.471 41.283 4.188 17742 11548 1 17 . 1 1 82 82 LEU H H 412 6.751 6.751 7.397 -0.646 17742 11549 1 17 . 1 1 83 83 PHE N N 413 122.184 122.184 124.664 -2.480 17742 11550 1 17 . 1 1 83 83 PHE HA H 413 4.865 4.865 5.422 -0.557 17742 11551 1 17 . 1 1 83 83 PHE C C 413 172.849 172.849 174.674 -1.825 17742 11552 1 17 . 1 1 83 83 PHE CA C 413 55.921 55.921 54.387 1.534 17742 11553 1 17 . 1 1 83 83 PHE CB C 413 44.569 44.569 42.416 2.153 17742 11554 1 17 . 1 1 83 83 PHE H H 413 8.661 8.661 8.912 -0.251 17742 11555 1 17 . 1 1 84 84 ARG N N 414 119.461 119.461 119.920 -0.459 17742 11556 1 17 . 1 1 84 84 ARG HA H 414 5.581 5.581 5.154 0.427 17742 11557 1 17 . 1 1 84 84 ARG C C 414 177.641 177.641 174.770 2.871 17742 11558 1 17 . 1 1 84 84 ARG CA C 414 54.239 54.239 55.487 -1.248 17742 11559 1 17 . 1 1 84 84 ARG CB C 414 36.198 36.198 33.874 2.324 17742 11560 1 17 . 1 1 84 84 ARG H H 414 9.098 9.098 8.876 0.222 17742 11561 1 17 . 1 1 85 85 PHE N N 415 124.274 124.274 127.771 -3.497 17742 11562 1 17 . 1 1 85 85 PHE HA H 415 5.027 5.027 4.915 0.112 17742 11563 1 17 . 1 1 85 85 PHE C C 415 176.117 176.117 176.045 0.072 17742 11564 1 17 . 1 1 85 85 PHE CA C 415 59.657 59.657 59.463 0.194 17742 11565 1 17 . 1 1 85 85 PHE CB C 415 40.819 40.819 38.189 2.630 17742 11566 1 17 . 1 1 85 85 PHE H H 415 8.928 8.928 9.489 -0.561 17742 11567 1 17 . 1 1 86 86 MET N N 416 121.081 121.081 123.030 -1.949 17742 11568 1 17 . 1 1 86 86 MET HA H 416 4.656 4.656 4.303 0.353 17742 11569 1 17 . 1 1 86 86 MET C C 416 176.444 176.444 176.621 -0.177 17742 11570 1 17 . 1 1 86 86 MET CA C 416 54.681 54.681 57.967 -3.286 17742 11571 1 17 . 1 1 86 86 MET CB C 416 31.698 31.698 32.990 -1.292 17742 11572 1 17 . 1 1 86 86 MET H H 416 8.676 8.676 8.770 -0.094 17742 11573 1 17 . 1 1 87 87 LYS N N 417 117.772 117.772 113.475 4.297 17742 11574 1 17 . 1 1 87 87 LYS HA H 417 4.899 4.899 4.700 0.199 17742 11575 1 17 . 1 1 87 87 LYS C C 417 175.621 175.621 174.797 0.824 17742 11576 1 17 . 1 1 87 87 LYS CA C 417 54.522 54.522 54.502 0.020 17742 11577 1 17 . 1 1 87 87 LYS CB C 417 37.905 37.905 35.634 2.271 17742 11578 1 17 . 1 1 87 87 LYS H H 417 7.624 7.624 7.382 0.242 17742 11579 1 17 . 1 1 88 88 THR N N 418 112.426 112.426 110.700 1.726 17742 11580 1 17 . 1 1 88 88 THR HA H 418 4.372 4.372 4.394 -0.022 17742 11581 1 17 . 1 1 88 88 THR CA C 418 59.786 59.786 58.154 1.633 17742 11582 1 17 . 1 1 88 88 THR CB C 418 68.040 68.040 68.822 -0.782 17742 11583 1 17 . 1 1 88 88 THR H H 418 8.787 8.787 9.041 -0.254 17742 11584 1 17 . 1 1 89 89 PRO HA H 419 3.654 3.654 2.874 0.780 17742 11585 1 17 . 1 1 89 89 PRO C C 419 177.412 177.412 178.034 -0.622 17742 11586 1 17 . 1 1 89 89 PRO CA C 419 65.712 65.712 66.349 -0.637 17742 11587 1 17 . 1 1 89 89 PRO CB C 419 31.762 31.762 31.505 0.257 17742 11588 1 17 . 1 1 90 90 ASP N N 420 114.221 114.221 114.820 -0.599 17742 11589 1 17 . 1 1 90 90 ASP HA H 420 4.224 4.224 4.237 -0.013 17742 11590 1 17 . 1 1 90 90 ASP C C 420 178.341 178.341 176.896 1.445 17742 11591 1 17 . 1 1 90 90 ASP CA C 420 56.657 56.657 56.606 0.051 17742 11592 1 17 . 1 1 90 90 ASP CB C 420 40.642 40.642 40.397 0.245 17742 11593 1 17 . 1 1 90 90 ASP H H 420 7.958 7.958 8.528 -0.570 17742 11594 1 17 . 1 1 91 91 GLU N N 421 119.443 119.443 117.132 2.311 17742 11595 1 17 . 1 1 91 91 GLU HA H 421 4.006 4.006 4.049 -0.043 17742 11596 1 17 . 1 1 91 91 GLU C C 421 179.238 179.238 179.046 0.192 17742 11597 1 17 . 1 1 91 91 GLU CA C 421 58.458 58.458 58.190 0.268 17742 11598 1 17 . 1 1 91 91 GLU CB C 421 30.774 30.774 29.845 0.929 17742 11599 1 17 . 1 1 91 91 GLU H H 421 7.628 7.628 7.541 0.087 17742 11600 1 17 . 1 1 92 92 ILE N N 422 120.617 120.617 120.965 -0.348 17742 11601 1 17 . 1 1 92 92 ILE HA H 422 3.589 3.589 3.564 0.025 17742 11602 1 17 . 1 1 92 92 ILE C C 422 178.124 178.124 176.750 1.374 17742 11603 1 17 . 1 1 92 92 ILE CA C 422 63.878 63.878 64.661 -0.783 17742 11604 1 17 . 1 1 92 92 ILE CB C 422 38.142 38.142 37.728 0.414 17742 11605 1 17 . 1 1 92 92 ILE H H 422 7.896 7.896 7.655 0.241 17742 11606 1 17 . 1 1 93 93 MET N N 423 117.857 117.857 116.193 1.664 17742 11607 1 17 . 1 1 93 93 MET HA H 423 4.365 4.365 4.361 0.004 17742 11608 1 17 . 1 1 93 93 MET C C 423 177.009 177.009 177.170 -0.161 17742 11609 1 17 . 1 1 93 93 MET CA C 423 56.527 56.527 56.731 -0.204 17742 11610 1 17 . 1 1 93 93 MET CB C 423 32.617 32.617 31.724 0.893 17742 11611 1 17 . 1 1 93 93 MET H H 423 8.161 8.161 8.174 -0.013 17742 11612 1 17 . 1 1 94 94 SER N N 424 114.591 114.591 115.499 -0.908 17742 11613 1 17 . 1 1 94 94 SER HA H 424 4.406 4.406 4.321 0.086 17742 11614 1 17 . 1 1 94 94 SER C C 424 175.262 175.262 175.339 -0.077 17742 11615 1 17 . 1 1 94 94 SER CA C 424 59.482 59.482 59.640 -0.158 17742 11616 1 17 . 1 1 94 94 SER CB C 424 63.466 63.466 63.586 -0.120 17742 11617 1 17 . 1 1 94 94 SER H H 424 7.744 7.744 7.502 0.242 17742 11618 1 17 . 1 1 95 95 GLY N N 425 109.590 109.590 107.743 1.847 17742 11619 1 17 . 1 1 95 95 GLY C C 425 174.197 174.197 174.584 -0.387 17742 11620 1 17 . 1 1 95 95 GLY CA C 425 45.122 45.122 45.182 -0.060 17742 11621 1 17 . 1 1 95 95 GLY H H 425 7.970 7.970 7.548 0.422 17742 11622 1 17 . 1 1 96 96 ARG N N 426 119.792 119.792 118.191 1.601 17742 11623 1 17 . 1 1 96 96 ARG HA H 426 4.567 4.567 4.782 -0.215 17742 11624 1 17 . 1 1 96 96 ARG C C 426 177.866 177.866 177.173 0.693 17742 11625 1 17 . 1 1 96 96 ARG CA C 426 55.757 55.757 55.503 0.254 17742 11626 1 17 . 1 1 96 96 ARG CB C 426 30.059 30.059 31.177 -1.118 17742 11627 1 17 . 1 1 96 96 ARG H H 426 8.144 8.144 7.711 0.433 17742 11628 1 17 . 1 1 97 97 THR N N 427 114.770 114.770 113.041 1.729 17742 11629 1 17 . 1 1 97 97 THR HA H 427 4.221 4.221 4.208 0.013 17742 11630 1 17 . 1 1 97 97 THR C C 427 175.449 175.449 175.396 0.053 17742 11631 1 17 . 1 1 97 97 THR CA C 427 63.411 63.411 66.068 -2.657 17742 11632 1 17 . 1 1 97 97 THR CB C 427 69.080 69.080 68.734 0.346 17742 11633 1 17 . 1 1 97 97 THR H H 427 8.427 8.427 8.225 0.202 17742 11634 1 17 . 1 1 98 98 ASP N N 428 122.017 122.017 122.362 -0.345 17742 11635 1 17 . 1 1 98 98 ASP HA H 428 4.404 4.404 4.385 0.019 17742 11636 1 17 . 1 1 98 98 ASP C C 428 178.042 178.042 178.278 -0.236 17742 11637 1 17 . 1 1 98 98 ASP CA C 428 56.438 56.438 56.985 -0.547 17742 11638 1 17 . 1 1 98 98 ASP CB C 428 40.012 40.012 39.569 0.443 17742 11639 1 17 . 1 1 98 98 ASP H H 428 8.659 8.659 8.547 0.112 17742 11640 1 17 . 1 1 99 99 ARG N N 429 120.083 120.083 120.082 0.001 17742 11641 1 17 . 1 1 99 99 ARG HA H 429 4.190 4.190 4.196 -0.006 17742 11642 1 17 . 1 1 99 99 ARG C C 429 178.236 178.236 178.256 -0.020 17742 11643 1 17 . 1 1 99 99 ARG CA C 429 58.307 58.307 58.617 -0.310 17742 11644 1 17 . 1 1 99 99 ARG CB C 429 30.073 30.073 30.115 -0.042 17742 11645 1 17 . 1 1 99 99 ARG H H 429 8.011 8.011 7.826 0.185 17742 11646 1 17 . 1 1 100 100 LEU N N 430 119.784 119.784 121.090 -1.306 17742 11647 1 17 . 1 1 100 100 LEU HA H 430 4.048 4.048 3.883 0.165 17742 11648 1 17 . 1 1 100 100 LEU C C 430 178.209 178.209 178.978 -0.769 17742 11649 1 17 . 1 1 100 100 LEU CA C 430 57.535 57.535 58.086 -0.551 17742 11650 1 17 . 1 1 100 100 LEU CB C 430 42.218 42.218 41.674 0.544 17742 11651 1 17 . 1 1 100 100 LEU H H 430 7.667 7.667 7.603 0.064 17742 11652 1 17 . 1 1 101 101 GLU N N 431 119.434 119.434 117.420 2.014 17742 11653 1 17 . 1 1 101 101 GLU HA H 431 3.962 3.962 3.972 -0.010 17742 11654 1 17 . 1 1 101 101 GLU C C 431 178.773 178.773 178.658 0.115 17742 11655 1 17 . 1 1 101 101 GLU CA C 431 59.470 59.470 59.528 -0.058 17742 11656 1 17 . 1 1 101 101 GLU CB C 431 29.667 29.667 29.294 0.373 17742 11657 1 17 . 1 1 101 101 GLU H H 431 8.339 8.339 8.332 0.007 17742 11658 1 17 . 1 1 102 102 HIS N N 432 118.026 118.026 118.893 -0.867 17742 11659 1 17 . 1 1 102 102 HIS HA H 432 4.463 4.463 4.352 0.111 17742 11660 1 17 . 1 1 102 102 HIS C C 432 177.322 177.322 177.605 -0.283 17742 11661 1 17 . 1 1 102 102 HIS CA C 432 58.432 58.432 59.380 -0.948 17742 11662 1 17 . 1 1 102 102 HIS CB C 432 29.237 29.237 30.189 -0.952 17742 11663 1 17 . 1 1 102 102 HIS H H 432 7.995 7.995 7.495 0.500 17742 11664 1 17 . 1 1 103 103 LEU N N 433 120.785 120.785 118.988 1.797 17742 11665 1 17 . 1 1 103 103 LEU HA H 433 3.971 3.971 4.442 -0.471 17742 11666 1 17 . 1 1 103 103 LEU C C 433 179.014 179.014 178.301 0.713 17742 11667 1 17 . 1 1 103 103 LEU CA C 433 57.570 57.570 57.127 0.443 17742 11668 1 17 . 1 1 103 103 LEU CB C 433 41.606 41.606 40.962 0.644 17742 11669 1 17 . 1 1 103 103 LEU H H 433 8.077 8.077 8.308 -0.231 17742 11670 1 17 . 1 1 104 104 GLU N N 434 119.107 119.107 120.128 -1.021 17742 11671 1 17 . 1 1 104 104 GLU HA H 434 4.025 4.025 4.179 -0.154 17742 11672 1 17 . 1 1 104 104 GLU C C 434 178.187 178.187 179.224 -1.037 17742 11673 1 17 . 1 1 104 104 GLU CA C 434 60.221 60.221 59.623 0.598 17742 11674 1 17 . 1 1 104 104 GLU CB C 434 30.104 30.104 29.158 0.946 17742 11675 1 17 . 1 1 104 104 GLU H H 434 8.443 8.443 8.867 -0.424 17742 11676 1 17 . 1 1 105 105 SER N N 435 114.129 114.129 114.641 -0.512 17742 11677 1 17 . 1 1 105 105 SER HA H 435 4.204 4.204 4.115 0.089 17742 11678 1 17 . 1 1 105 105 SER C C 435 175.924 175.924 175.896 0.028 17742 11679 1 17 . 1 1 105 105 SER CA C 435 61.303 61.303 61.077 0.226 17742 11680 1 17 . 1 1 105 105 SER CB C 435 63.070 63.070 63.105 -0.035 17742 11681 1 17 . 1 1 105 105 SER H H 435 8.041 8.041 7.634 0.407 17742 11682 1 17 . 1 1 106 106 GLN N N 436 120.201 120.201 120.761 -0.560 17742 11683 1 17 . 1 1 106 106 GLN HA H 436 4.124 4.124 4.013 0.111 17742 11684 1 17 . 1 1 106 106 GLN C C 436 178.242 178.242 177.725 0.517 17742 11685 1 17 . 1 1 106 106 GLN CA C 436 58.242 58.242 58.416 -0.174 17742 11686 1 17 . 1 1 106 106 GLN CB C 436 29.001 29.001 28.867 0.134 17742 11687 1 17 . 1 1 106 106 GLN H H 436 7.823 7.823 7.417 0.406 17742 11688 1 17 . 1 1 107 107 VAL N N 437 117.503 117.503 118.148 -0.645 17742 11689 1 17 . 1 1 107 107 VAL HA H 437 3.955 3.955 3.913 0.042 17742 11690 1 17 . 1 1 107 107 VAL C C 437 177.462 177.462 177.607 -0.145 17742 11691 1 17 . 1 1 107 107 VAL CA C 437 64.414 64.414 65.326 -0.912 17742 11692 1 17 . 1 1 107 107 VAL CB C 437 32.192 32.192 31.909 0.283 17742 11693 1 17 . 1 1 107 107 VAL H H 437 7.711 7.711 8.220 -0.509 17742 11694 1 17 . 1 1 108 108 LEU HA H 438 4.072 4.072 4.269 -0.197 17742 11695 1 17 . 1 1 108 108 LEU C C 438 177.614 177.614 177.871 -0.257 17742 11696 1 17 . 1 1 108 108 LEU CA C 438 56.521 56.521 56.449 0.072 17742 11697 1 17 . 1 1 108 108 LEU CB C 438 42.149 42.149 41.978 0.171 17742 11698 1 17 . 1 1 109 109 ASP N N 439 118.500 118.500 116.941 1.559 17742 11699 1 17 . 1 1 109 109 ASP HA H 439 4.685 4.685 4.716 -0.031 17742 11700 1 17 . 1 1 109 109 ASP C C 439 176.372 176.372 176.096 0.276 17742 11701 1 17 . 1 1 109 109 ASP CA C 439 54.653 54.653 52.589 2.064 17742 11702 1 17 . 1 1 109 109 ASP CB C 439 41.425 41.425 40.223 1.202 17742 11703 1 17 . 1 1 109 109 ASP H H 439 7.872 7.872 7.780 0.092 17742 11704 1 17 . 1 1 110 110 GLU N N 440 120.701 120.701 118.326 2.375 17742 11705 1 17 . 1 1 110 110 GLU HA H 440 4.188 4.188 4.010 0.178 17742 11706 1 17 . 1 1 110 110 GLU C C 440 176.739 176.739 177.045 -0.306 17742 11707 1 17 . 1 1 110 110 GLU CA C 440 57.310 57.310 58.340 -1.030 17742 11708 1 17 . 1 1 110 110 GLU CB C 440 30.091 30.091 29.437 0.654 17742 11709 1 17 . 1 1 110 110 GLU H H 440 7.929 7.929 7.944 -0.015 17742 11710 1 17 . 1 1 111 111 GLN N N 441 120.829 120.829 116.899 3.930 17742 11711 1 17 . 1 1 111 111 GLN HA H 441 4.341 4.341 4.210 0.131 17742 11712 1 17 . 1 1 111 111 GLN C C 441 176.214 176.214 177.369 -1.155 17742 11713 1 17 . 1 1 111 111 GLN CA C 441 56.103 56.103 55.983 0.120 17742 11714 1 17 . 1 1 111 111 GLN CB C 441 29.607 29.607 29.009 0.598 17742 11715 1 17 . 1 1 111 111 GLN H H 441 8.434 8.434 7.576 0.858 17742 11716 1 17 . 1 1 112 112 THR N N 442 114.861 114.861 112.454 2.407 17742 11717 1 17 . 1 1 112 112 THR HA H 442 4.258 4.258 4.111 0.147 17742 11718 1 17 . 1 1 112 112 THR C C 442 174.095 174.095 173.747 0.348 17742 11719 1 17 . 1 1 112 112 THR CA C 442 62.140 62.140 64.394 -2.254 17742 11720 1 17 . 1 1 112 112 THR CB C 442 69.870 69.870 69.248 0.622 17742 11721 1 17 . 1 1 112 112 THR H H 442 8.038 8.038 8.588 -0.550 17742 11722 1 17 . 1 1 113 113 TYR N N 443 122.709 122.709 110.880 11.829 17742 11723 1 17 . 1 1 113 113 TYR HA H 443 4.552 4.552 4.756 -0.204 17742 11724 1 17 . 1 1 113 113 TYR C C 443 175.303 175.303 173.798 1.505 17742 11725 1 17 . 1 1 113 113 TYR CA C 443 57.921 57.921 56.267 1.654 17742 11726 1 17 . 1 1 113 113 TYR CB C 443 38.982 38.982 39.637 -0.655 17742 11727 1 17 . 1 1 113 113 TYR H H 443 8.171 8.171 7.226 0.945 17742 11728 1 17 . 1 1 114 114 GLN N N 444 122.768 122.768 122.776 -0.008 17742 11729 1 17 . 1 1 114 114 GLN HA H 444 4.284 4.284 4.009 0.275 17742 11730 1 17 . 1 1 114 114 GLN C C 444 175.372 175.372 175.481 -0.109 17742 11731 1 17 . 1 1 114 114 GLN CA C 444 55.543 55.543 55.521 0.022 17742 11732 1 17 . 1 1 114 114 GLN CB C 444 29.894 29.894 27.609 2.285 17742 11733 1 17 . 1 1 114 114 GLN H H 444 8.202 8.202 8.720 -0.518 17742 11734 1 17 . 1 1 115 115 GLU N N 445 122.370 122.370 126.435 -4.065 17742 11735 1 17 . 1 1 115 115 GLU HA H 445 4.225 4.225 3.356 0.869 17742 11736 1 17 . 1 1 115 115 GLU C C 445 176.058 176.058 175.221 0.837 17742 11737 1 17 . 1 1 115 115 GLU CA C 445 56.612 56.612 56.234 0.378 17742 11738 1 17 . 1 1 115 115 GLU CB C 445 30.517 30.517 28.525 1.992 17742 11739 1 17 . 1 1 115 115 GLU H H 445 8.371 8.371 7.823 0.548 17742 11740 1 17 . 1 1 116 116 ASP N N 446 121.090 121.090 125.274 -4.184 17742 11741 1 17 . 1 1 116 116 ASP HA H 446 4.595 4.595 4.650 -0.055 17742 11742 1 17 . 1 1 116 116 ASP C C 446 175.872 175.872 176.323 -0.451 17742 11743 1 17 . 1 1 116 116 ASP CA C 446 54.382 54.382 54.587 -0.205 17742 11744 1 17 . 1 1 116 116 ASP CB C 446 41.402 41.402 42.278 -0.876 17742 11745 1 17 . 1 1 116 116 ASP H H 446 8.336 8.336 8.208 0.128 17742 11746 1 17 . 1 1 117 117 GLU N N 447 121.977 121.977 121.937 0.040 17742 11747 1 17 . 1 1 117 117 GLU HA H 447 4.575 4.575 4.630 -0.055 17742 11748 1 17 . 1 1 117 117 GLU CA C 447 54.442 54.442 54.345 0.097 17742 11749 1 17 . 1 1 117 117 GLU CB C 447 30.254 30.254 28.706 1.548 17742 11750 1 17 . 1 1 117 117 GLU H H 447 8.194 8.194 7.841 0.353 17742 11751 1 17 . 1 1 118 118 PRO HA H 448 4.461 4.461 4.345 0.116 17742 11752 1 17 . 1 1 118 118 PRO C C 448 177.160 177.160 177.265 -0.105 17742 11753 1 17 . 1 1 118 118 PRO CA C 448 63.371 63.371 63.800 -0.429 17742 11754 1 17 . 1 1 118 118 PRO CB C 448 32.302 32.302 31.971 0.331 17742 11755 1 17 . 1 1 119 119 THR N N 449 114.788 114.788 116.965 -2.177 17742 11756 1 17 . 1 1 119 119 THR HA H 449 4.292 4.292 4.654 -0.362 17742 11757 1 17 . 1 1 119 119 THR C C 449 174.664 174.664 175.191 -0.527 17742 11758 1 17 . 1 1 119 119 THR CA C 449 62.117 62.117 60.869 1.248 17742 11759 1 17 . 1 1 119 119 THR CB C 449 69.861 69.861 70.002 -0.141 17742 11760 1 17 . 1 1 119 119 THR H H 449 8.235 8.235 8.287 -0.052 17742 11761 1 17 . 1 1 120 120 ILE N N 450 123.074 123.074 122.369 0.705 17742 11762 1 17 . 1 1 120 120 ILE HA H 450 4.169 4.169 3.918 0.251 17742 11763 1 17 . 1 1 120 120 ILE C C 450 175.683 175.683 175.999 -0.316 17742 11764 1 17 . 1 1 120 120 ILE CA C 450 60.987 60.987 62.153 -1.166 17742 11765 1 17 . 1 1 120 120 ILE CB C 450 38.983 38.983 35.195 3.788 17742 11766 1 17 . 1 1 120 120 ILE H H 450 8.043 8.043 8.741 -0.698 17742 11767 1 17 . 1 1 121 121 ALA N N 451 128.011 128.011 129.678 -1.667 17742 11768 1 17 . 1 1 121 121 ALA HA H 451 4.332 4.332 4.549 -0.217 17742 11769 1 17 . 1 1 121 121 ALA C C 451 177.333 177.333 176.754 0.579 17742 11770 1 17 . 1 1 121 121 ALA CA C 451 52.364 52.364 52.490 -0.126 17742 11771 1 17 . 1 1 121 121 ALA CB C 451 19.534 19.534 19.798 -0.264 17742 11772 1 17 . 1 1 121 121 ALA H H 451 8.277 8.277 8.418 -0.141 17742 11773 1 17 . 1 1 122 122 SER N N 452 116.575 116.575 113.255 3.320 17742 11774 1 17 . 1 1 122 122 SER HA H 452 4.672 4.672 4.720 -0.048 17742 11775 1 17 . 1 1 122 122 SER CA C 452 56.230 56.230 56.942 -0.712 17742 11776 1 17 . 1 1 122 122 SER CB C 452 63.460 63.460 63.629 -0.169 17742 11777 1 17 . 1 1 122 122 SER H H 452 8.161 8.161 7.767 0.394 17742 11778 1 17 . 1 1 123 123 PRO HA H 453 4.395 4.395 4.423 -0.028 17742 11779 1 17 . 1 1 123 123 PRO C C 453 176.993 176.993 175.674 1.319 17742 11780 1 17 . 1 1 123 123 PRO CA C 453 63.303 63.303 62.954 0.349 17742 11781 1 17 . 1 1 123 123 PRO CB C 453 32.149 32.149 30.535 1.614 17742 11782 1 17 . 1 1 124 124 VAL N N 454 119.733 119.733 123.928 -4.195 17742 11783 1 17 . 1 1 124 124 VAL HA H 454 4.010 4.010 4.122 -0.112 17742 11784 1 17 . 1 1 124 124 VAL CA C 454 62.674 62.674 61.125 1.549 17742 11785 1 17 . 1 1 124 124 VAL CB C 454 32.669 32.669 31.409 1.260 17742 11786 1 17 . 1 1 124 124 VAL H H 454 8.058 8.058 7.787 0.271 17742 11787 1 17 . 1 1 125 125 GLY N N 455 111.901 111.901 113.753 -1.852 17742 11788 1 17 . 1 1 125 125 GLY CA C 455 45.152 45.152 44.319 0.833 17742 11789 1 17 . 1 1 125 125 GLY H H 455 8.255 8.255 8.130 0.125 17742 11790 1 17 . 1 1 126 126 TRP N N 456 122.405 122.405 125.133 -2.728 17742 11791 1 17 . 1 1 126 126 TRP HA H 456 4.929 4.929 4.732 0.197 17742 11792 1 17 . 1 1 126 126 TRP CA C 456 55.029 55.029 53.525 1.504 17742 11793 1 17 . 1 1 126 126 TRP CB C 456 29.383 29.383 29.556 -0.173 17742 11794 1 17 . 1 1 126 126 TRP H H 456 7.906 7.906 7.716 0.190 17742 11795 1 17 . 1 1 127 127 PRO HA H 457 4.429 4.429 4.494 -0.065 17742 11796 1 17 . 1 1 127 127 PRO C C 457 175.951 175.951 176.277 -0.326 17742 11797 1 17 . 1 1 127 127 PRO CA C 457 63.558 63.558 62.638 0.920 17742 11798 1 17 . 1 1 127 127 PRO CB C 457 31.932 31.932 31.276 0.656 17742 11799 1 18 . 1 1 5 5 ARG N N 335 123.607 123.607 124.995 -1.388 17742 11800 1 18 . 1 1 5 5 ARG HA H 335 4.382 4.382 4.428 -0.046 17742 11801 1 18 . 1 1 5 5 ARG CA C 335 56.926 56.926 56.220 0.706 17742 11802 1 18 . 1 1 5 5 ARG H H 335 9.161 9.161 8.212 0.949 17742 11803 1 18 . 1 1 6 6 LEU N N 336 122.412 122.412 116.937 5.475 17742 11804 1 18 . 1 1 6 6 LEU CB C 336 42.172 42.172 44.039 -1.867 17742 11805 1 18 . 1 1 6 6 LEU H H 336 8.775 8.775 8.760 0.015 17742 11806 1 18 . 1 1 7 7 LEU HA H 337 3.669 3.669 4.322 -0.653 17742 11807 1 18 . 1 1 7 7 LEU CA C 337 59.053 59.053 58.187 0.866 17742 11808 1 18 . 1 1 7 7 LEU CB C 337 40.447 40.447 42.357 -1.910 17742 11809 1 18 . 1 1 8 8 TRP N N 338 114.197 114.197 118.726 -4.529 17742 11810 1 18 . 1 1 8 8 TRP HA H 338 3.747 3.747 4.639 -0.892 17742 11811 1 18 . 1 1 8 8 TRP CA C 338 60.071 60.071 59.913 0.157 17742 11812 1 18 . 1 1 8 8 TRP CB C 338 28.481 28.481 28.210 0.271 17742 11813 1 18 . 1 1 8 8 TRP H H 338 7.595 7.595 7.745 -0.150 17742 11814 1 18 . 1 1 9 9 ASP HA H 339 3.648 3.648 4.535 -0.887 17742 11815 1 18 . 1 1 9 9 ASP C C 339 177.491 177.491 177.567 -0.076 17742 11816 1 18 . 1 1 9 9 ASP CA C 339 56.197 56.197 56.197 0.000 17742 11817 1 18 . 1 1 9 9 ASP CB C 339 41.702 41.702 39.924 1.778 17742 11818 1 18 . 1 1 10 10 TYR N N 340 120.786 120.786 122.579 -1.793 17742 11819 1 18 . 1 1 10 10 TYR HA H 340 3.851 3.851 4.199 -0.348 17742 11820 1 18 . 1 1 10 10 TYR C C 340 177.016 177.016 177.596 -0.580 17742 11821 1 18 . 1 1 10 10 TYR CA C 340 61.921 61.921 61.037 0.884 17742 11822 1 18 . 1 1 10 10 TYR CB C 340 39.202 39.202 38.584 0.618 17742 11823 1 18 . 1 1 10 10 TYR H H 340 7.929 7.929 7.346 0.583 17742 11824 1 18 . 1 1 11 11 VAL N N 341 114.828 114.828 119.490 -4.662 17742 11825 1 18 . 1 1 11 11 VAL HA H 341 2.982 2.982 3.660 -0.678 17742 11826 1 18 . 1 1 11 11 VAL C C 341 176.795 176.795 176.962 -0.167 17742 11827 1 18 . 1 1 11 11 VAL CA C 341 66.855 66.855 65.761 1.094 17742 11828 1 18 . 1 1 11 11 VAL CB C 341 31.152 31.152 31.858 -0.706 17742 11829 1 18 . 1 1 11 11 VAL H H 341 8.291 8.291 8.764 -0.473 17742 11830 1 18 . 1 1 12 12 TYR N N 342 119.177 119.177 119.882 -0.705 17742 11831 1 18 . 1 1 12 12 TYR HA H 342 3.617 3.617 3.910 -0.293 17742 11832 1 18 . 1 1 12 12 TYR C C 342 178.765 178.765 177.249 1.516 17742 11833 1 18 . 1 1 12 12 TYR CA C 342 62.960 62.960 61.773 1.187 17742 11834 1 18 . 1 1 12 12 TYR CB C 342 38.232 38.232 38.138 0.094 17742 11835 1 18 . 1 1 12 12 TYR H H 342 7.712 7.712 7.879 -0.167 17742 11836 1 18 . 1 1 13 13 GLN N N 343 118.873 118.873 119.220 -0.347 17742 11837 1 18 . 1 1 13 13 GLN HA H 343 3.833 3.833 4.038 -0.205 17742 11838 1 18 . 1 1 13 13 GLN C C 343 179.917 179.917 177.469 2.448 17742 11839 1 18 . 1 1 13 13 GLN CA C 343 58.821 58.821 58.497 0.324 17742 11840 1 18 . 1 1 13 13 GLN CB C 343 27.649 27.649 28.405 -0.756 17742 11841 1 18 . 1 1 13 13 GLN H H 343 8.076 8.076 7.779 0.297 17742 11842 1 18 . 1 1 14 14 LEU N N 344 121.381 121.381 118.934 2.447 17742 11843 1 18 . 1 1 14 14 LEU HA H 344 3.611 3.611 3.881 -0.270 17742 11844 1 18 . 1 1 14 14 LEU C C 344 179.861 179.861 179.288 0.573 17742 11845 1 18 . 1 1 14 14 LEU CA C 344 58.121 58.121 56.946 1.175 17742 11846 1 18 . 1 1 14 14 LEU CB C 344 41.382 41.382 41.931 -0.548 17742 11847 1 18 . 1 1 14 14 LEU H H 344 7.772 7.772 7.473 0.299 17742 11848 1 18 . 1 1 15 15 LEU N N 345 116.801 116.801 118.009 -1.208 17742 11849 1 18 . 1 1 15 15 LEU HA H 345 3.513 3.513 3.919 -0.406 17742 11850 1 18 . 1 1 15 15 LEU C C 345 178.221 178.221 178.159 0.062 17742 11851 1 18 . 1 1 15 15 LEU CA C 345 56.568 56.568 57.232 -0.664 17742 11852 1 18 . 1 1 15 15 LEU CB C 345 41.431 41.431 41.279 0.152 17742 11853 1 18 . 1 1 15 15 LEU H H 345 7.546 7.546 7.951 -0.405 17742 11854 1 18 . 1 1 16 16 SER N N 346 112.511 112.511 110.746 1.765 17742 11855 1 18 . 1 1 16 16 SER HA H 346 4.542 4.542 4.547 -0.005 17742 11856 1 18 . 1 1 16 16 SER C C 346 172.510 172.510 173.618 -1.108 17742 11857 1 18 . 1 1 16 16 SER CA C 346 58.891 58.891 59.207 -0.316 17742 11858 1 18 . 1 1 16 16 SER CB C 346 63.993 63.993 63.491 0.502 17742 11859 1 18 . 1 1 16 16 SER H H 346 7.277 7.277 7.426 -0.149 17742 11860 1 18 . 1 1 17 17 ASP N N 347 122.234 122.234 120.441 1.793 17742 11861 1 18 . 1 1 17 17 ASP HA H 347 4.969 4.969 4.905 0.064 17742 11862 1 18 . 1 1 17 17 ASP C C 347 175.703 175.703 176.251 -0.548 17742 11863 1 18 . 1 1 17 17 ASP CA C 347 52.761 52.761 52.869 -0.108 17742 11864 1 18 . 1 1 17 17 ASP CB C 347 43.427 43.427 43.437 -0.010 17742 11865 1 18 . 1 1 17 17 ASP H H 347 7.353 7.353 7.624 -0.271 17742 11866 1 18 . 1 1 18 18 SER N N 348 120.139 120.139 121.767 -1.628 17742 11867 1 18 . 1 1 18 18 SER HA H 348 4.371 4.371 4.322 0.049 17742 11868 1 18 . 1 1 18 18 SER C C 348 176.259 176.259 176.068 0.191 17742 11869 1 18 . 1 1 18 18 SER CA C 348 61.131 61.131 60.007 1.124 17742 11870 1 18 . 1 1 18 18 SER CB C 348 63.177 63.177 63.035 0.142 17742 11871 1 18 . 1 1 18 18 SER H H 348 8.691 8.691 8.848 -0.157 17742 11872 1 18 . 1 1 19 19 ARG N N 349 122.716 122.716 122.915 -0.199 17742 11873 1 18 . 1 1 19 19 ARG HA H 349 4.114 4.114 3.866 0.248 17742 11874 1 18 . 1 1 19 19 ARG C C 349 178.154 178.154 177.805 0.349 17742 11875 1 18 . 1 1 19 19 ARG CA C 349 58.531 58.531 58.967 -0.436 17742 11876 1 18 . 1 1 19 19 ARG CB C 349 29.794 29.794 29.718 0.076 17742 11877 1 18 . 1 1 19 19 ARG H H 349 8.586 8.586 7.731 0.855 17742 11878 1 18 . 1 1 20 20 TYR N N 350 116.201 116.201 116.832 -0.631 17742 11879 1 18 . 1 1 20 20 TYR HA H 350 4.883 4.883 4.645 0.238 17742 11880 1 18 . 1 1 20 20 TYR C C 350 177.029 177.029 176.156 0.873 17742 11881 1 18 . 1 1 20 20 TYR CA C 350 58.741 58.741 56.344 2.397 17742 11882 1 18 . 1 1 20 20 TYR CB C 350 37.642 37.642 36.178 1.464 17742 11883 1 18 . 1 1 20 20 TYR H H 350 8.291 8.291 7.378 0.913 17742 11884 1 18 . 1 1 21 21 GLU N N 351 120.803 120.803 120.276 0.527 17742 11885 1 18 . 1 1 21 21 GLU HA H 351 4.466 4.466 4.297 0.169 17742 11886 1 18 . 1 1 21 21 GLU C C 351 176.324 176.324 177.095 -0.771 17742 11887 1 18 . 1 1 21 21 GLU CA C 351 59.132 59.132 58.611 0.521 17742 11888 1 18 . 1 1 21 21 GLU CB C 351 29.864 29.864 28.873 0.991 17742 11889 1 18 . 1 1 21 21 GLU H H 351 7.513 7.513 7.758 -0.245 17742 11890 1 18 . 1 1 22 22 ASN N N 352 114.531 114.531 115.739 -1.208 17742 11891 1 18 . 1 1 22 22 ASN HA H 352 4.492 4.492 4.636 -0.144 17742 11892 1 18 . 1 1 22 22 ASN C C 352 174.497 174.497 175.606 -1.109 17742 11893 1 18 . 1 1 22 22 ASN CA C 352 54.122 54.122 53.614 0.508 17742 11894 1 18 . 1 1 22 22 ASN CB C 352 36.935 36.935 39.099 -2.164 17742 11895 1 18 . 1 1 22 22 ASN H H 352 8.649 8.649 8.195 0.454 17742 11896 1 18 . 1 1 23 23 PHE N N 353 115.501 115.501 116.745 -1.244 17742 11897 1 18 . 1 1 23 23 PHE HA H 353 4.751 4.751 4.665 0.086 17742 11898 1 18 . 1 1 23 23 PHE C C 353 176.442 176.442 175.015 1.427 17742 11899 1 18 . 1 1 23 23 PHE CB C 353 41.502 41.502 41.878 -0.376 17742 11900 1 18 . 1 1 23 23 PHE H H 353 8.555 8.555 8.093 0.462 17742 11901 1 18 . 1 1 24 24 ILE N N 354 120.734 120.734 117.864 2.870 17742 11902 1 18 . 1 1 24 24 ILE HA H 354 5.059 5.059 5.008 0.051 17742 11903 1 18 . 1 1 24 24 ILE C C 354 179.332 179.332 173.090 6.242 17742 11904 1 18 . 1 1 24 24 ILE CA C 354 59.831 59.831 60.393 -0.562 17742 11905 1 18 . 1 1 24 24 ILE CB C 354 40.623 40.623 42.032 -1.409 17742 11906 1 18 . 1 1 24 24 ILE H H 354 8.428 8.428 8.834 -0.406 17742 11907 1 18 . 1 1 25 25 ARG N N 355 121.187 121.187 123.041 -1.854 17742 11908 1 18 . 1 1 25 25 ARG HA H 355 4.904 4.904 4.894 0.010 17742 11909 1 18 . 1 1 25 25 ARG C C 355 175.152 175.152 174.216 0.936 17742 11910 1 18 . 1 1 25 25 ARG CA C 355 54.529 54.529 54.477 0.052 17742 11911 1 18 . 1 1 25 25 ARG CB C 355 33.599 33.599 33.876 -0.277 17742 11912 1 18 . 1 1 25 25 ARG H H 355 8.671 8.671 8.923 -0.252 17742 11913 1 18 . 1 1 26 26 TRP N N 356 122.024 122.024 123.432 -1.408 17742 11914 1 18 . 1 1 26 26 TRP HA H 356 4.884 4.884 4.737 0.147 17742 11915 1 18 . 1 1 26 26 TRP C C 356 176.642 176.642 176.595 0.047 17742 11916 1 18 . 1 1 26 26 TRP CA C 356 57.960 57.960 57.894 0.066 17742 11917 1 18 . 1 1 26 26 TRP CB C 356 30.634 30.634 29.715 0.919 17742 11918 1 18 . 1 1 26 26 TRP H H 356 9.159 9.159 8.814 0.345 17742 11919 1 18 . 1 1 27 27 GLU N N 357 125.331 125.331 124.820 0.511 17742 11920 1 18 . 1 1 27 27 GLU HA H 357 4.681 4.681 4.474 0.207 17742 11921 1 18 . 1 1 27 27 GLU C C 357 176.775 176.775 176.900 -0.125 17742 11922 1 18 . 1 1 27 27 GLU CA C 357 56.990 56.990 58.036 -1.046 17742 11923 1 18 . 1 1 27 27 GLU CB C 357 31.579 31.579 30.850 0.729 17742 11924 1 18 . 1 1 27 27 GLU H H 357 9.504 9.504 8.753 0.751 17742 11925 1 18 . 1 1 28 28 ASP N N 358 116.213 116.213 121.344 -5.131 17742 11926 1 18 . 1 1 28 28 ASP HA H 358 4.771 4.771 5.034 -0.263 17742 11927 1 18 . 1 1 28 28 ASP C C 358 176.167 176.167 175.262 0.905 17742 11928 1 18 . 1 1 28 28 ASP CA C 358 53.541 53.541 53.673 -0.132 17742 11929 1 18 . 1 1 28 28 ASP CB C 358 41.932 41.932 41.968 -0.036 17742 11930 1 18 . 1 1 28 28 ASP H H 358 7.846 7.846 8.627 -0.781 17742 11931 1 18 . 1 1 29 29 LYS N N 359 127.762 127.762 124.443 3.319 17742 11932 1 18 . 1 1 29 29 LYS HA H 359 3.157 3.157 3.236 -0.079 17742 11933 1 18 . 1 1 29 29 LYS C C 359 178.776 178.776 177.532 1.244 17742 11934 1 18 . 1 1 29 29 LYS CA C 359 60.229 60.229 59.457 0.772 17742 11935 1 18 . 1 1 29 29 LYS CB C 359 32.734 32.734 32.192 0.542 17742 11936 1 18 . 1 1 29 29 LYS H H 359 9.216 9.216 8.577 0.639 17742 11937 1 18 . 1 1 30 30 GLU N N 360 119.601 119.601 118.427 1.174 17742 11938 1 18 . 1 1 30 30 GLU HA H 360 3.925 3.925 3.989 -0.064 17742 11939 1 18 . 1 1 30 30 GLU C C 360 178.684 178.684 177.154 1.530 17742 11940 1 18 . 1 1 30 30 GLU CA C 360 59.570 59.570 58.873 0.697 17742 11941 1 18 . 1 1 30 30 GLU CB C 360 29.177 29.177 28.918 0.259 17742 11942 1 18 . 1 1 30 30 GLU H H 360 8.340 8.340 8.643 -0.303 17742 11943 1 18 . 1 1 31 31 SER N N 361 113.301 113.301 113.755 -0.454 17742 11944 1 18 . 1 1 31 31 SER HA H 361 4.494 4.494 4.393 0.101 17742 11945 1 18 . 1 1 31 31 SER C C 361 172.357 172.357 174.408 -2.051 17742 11946 1 18 . 1 1 31 31 SER CA C 361 58.807 58.807 59.233 -0.427 17742 11947 1 18 . 1 1 31 31 SER CB C 361 63.768 63.768 63.366 0.402 17742 11948 1 18 . 1 1 31 31 SER H H 361 7.463 7.463 8.136 -0.673 17742 11949 1 18 . 1 1 32 32 LYS N N 362 115.170 115.170 114.084 1.086 17742 11950 1 18 . 1 1 32 32 LYS HA H 362 3.910 3.910 4.270 -0.360 17742 11951 1 18 . 1 1 32 32 LYS C C 362 175.500 175.500 175.240 0.260 17742 11952 1 18 . 1 1 32 32 LYS CA C 362 57.630 57.630 56.863 0.767 17742 11953 1 18 . 1 1 32 32 LYS CB C 362 29.801 29.801 30.143 -0.342 17742 11954 1 18 . 1 1 32 32 LYS H H 362 7.752 7.752 7.828 -0.076 17742 11955 1 18 . 1 1 33 33 ILE N N 363 118.274 118.274 121.177 -2.903 17742 11956 1 18 . 1 1 33 33 ILE HA H 363 5.375 5.375 5.065 0.310 17742 11957 1 18 . 1 1 33 33 ILE C C 363 177.068 177.068 175.730 1.338 17742 11958 1 18 . 1 1 33 33 ILE CA C 363 60.428 60.428 60.476 -0.048 17742 11959 1 18 . 1 1 33 33 ILE CB C 363 40.206 40.206 37.874 2.332 17742 11960 1 18 . 1 1 33 33 ILE H H 363 8.262 8.262 8.209 0.053 17742 11961 1 18 . 1 1 34 34 PHE N N 364 128.285 128.285 126.670 1.615 17742 11962 1 18 . 1 1 34 34 PHE HA H 364 5.566 5.566 5.236 0.330 17742 11963 1 18 . 1 1 34 34 PHE C C 364 179.560 179.560 173.056 6.504 17742 11964 1 18 . 1 1 34 34 PHE CA C 364 55.080 55.080 54.993 0.087 17742 11965 1 18 . 1 1 34 34 PHE CB C 364 44.097 44.097 42.621 1.476 17742 11966 1 18 . 1 1 34 34 PHE H H 364 9.936 9.936 9.255 0.681 17742 11967 1 18 . 1 1 35 35 ARG N N 365 120.953 120.953 123.313 -2.360 17742 11968 1 18 . 1 1 35 35 ARG HA H 365 5.484 5.484 4.578 0.906 17742 11969 1 18 . 1 1 35 35 ARG C C 365 176.522 176.522 174.615 1.907 17742 11970 1 18 . 1 1 35 35 ARG CA C 365 53.584 53.584 53.585 -0.001 17742 11971 1 18 . 1 1 35 35 ARG CB C 365 36.439 36.439 33.556 2.883 17742 11972 1 18 . 1 1 35 35 ARG H H 365 9.430 9.430 9.115 0.315 17742 11973 1 18 . 1 1 36 36 ILE N N 366 125.455 125.455 127.808 -2.353 17742 11974 1 18 . 1 1 36 36 ILE HA H 366 4.201 4.201 3.970 0.231 17742 11975 1 18 . 1 1 36 36 ILE C C 366 173.923 173.923 174.675 -0.752 17742 11976 1 18 . 1 1 36 36 ILE CA C 366 63.110 63.110 62.537 0.573 17742 11977 1 18 . 1 1 36 36 ILE CB C 366 37.964 37.964 37.400 0.564 17742 11978 1 18 . 1 1 36 36 ILE H H 366 8.639 8.639 8.048 0.591 17742 11979 1 18 . 1 1 37 37 VAL N N 367 129.251 129.251 126.566 2.685 17742 11980 1 18 . 1 1 37 37 VAL HA H 367 3.674 3.674 3.924 -0.250 17742 11981 1 18 . 1 1 37 37 VAL C C 367 175.948 175.948 175.863 0.085 17742 11982 1 18 . 1 1 37 37 VAL CA C 367 64.171 64.171 64.170 0.001 17742 11983 1 18 . 1 1 37 37 VAL CB C 367 32.870 32.870 32.808 0.062 17742 11984 1 18 . 1 1 37 37 VAL H H 367 7.839 7.839 8.338 -0.499 17742 11985 1 18 . 1 1 38 38 ASP N N 368 114.991 114.991 119.276 -4.285 17742 11986 1 18 . 1 1 38 38 ASP HA H 368 5.213 5.213 5.044 0.169 17742 11987 1 18 . 1 1 38 38 ASP CA C 368 50.242 50.242 50.713 -0.471 17742 11988 1 18 . 1 1 38 38 ASP CB C 368 42.169 42.169 41.463 0.706 17742 11989 1 18 . 1 1 38 38 ASP H H 368 7.279 7.279 8.151 -0.872 17742 11990 1 18 . 1 1 39 39 PRO HA H 369 3.794 3.794 4.383 -0.589 17742 11991 1 18 . 1 1 39 39 PRO C C 369 178.037 178.037 178.304 -0.267 17742 11992 1 18 . 1 1 39 39 PRO CA C 369 65.619 65.619 65.504 0.115 17742 11993 1 18 . 1 1 39 39 PRO CB C 369 31.057 31.057 31.891 -0.834 17742 11994 1 18 . 1 1 40 40 ASN N N 370 115.439 115.439 117.075 -1.636 17742 11995 1 18 . 1 1 40 40 ASN HA H 370 4.596 4.596 4.588 0.008 17742 11996 1 18 . 1 1 40 40 ASN C C 370 178.570 178.570 177.494 1.076 17742 11997 1 18 . 1 1 40 40 ASN CA C 370 56.501 56.501 56.668 -0.167 17742 11998 1 18 . 1 1 40 40 ASN CB C 370 38.012 38.012 38.219 -0.207 17742 11999 1 18 . 1 1 40 40 ASN H H 370 8.121 8.121 8.316 -0.195 17742 12000 1 18 . 1 1 41 41 GLY N N 371 111.317 111.317 108.910 2.407 17742 12001 1 18 . 1 1 41 41 GLY C C 371 176.090 176.090 176.881 -0.791 17742 12002 1 18 . 1 1 41 41 GLY CA C 371 47.932 47.932 47.047 0.885 17742 12003 1 18 . 1 1 41 41 GLY H H 371 8.622 8.622 7.819 0.803 17742 12004 1 18 . 1 1 42 42 LEU N N 372 122.892 122.892 123.546 -0.654 17742 12005 1 18 . 1 1 42 42 LEU HA H 372 4.031 4.031 4.270 -0.239 17742 12006 1 18 . 1 1 42 42 LEU C C 372 177.766 177.766 178.927 -1.161 17742 12007 1 18 . 1 1 42 42 LEU CA C 372 57.830 57.830 57.956 -0.126 17742 12008 1 18 . 1 1 42 42 LEU CB C 372 42.132 42.132 41.292 0.840 17742 12009 1 18 . 1 1 42 42 LEU H H 372 8.881 8.881 8.819 0.062 17742 12010 1 18 . 1 1 43 43 ALA N N 373 120.112 120.112 121.726 -1.614 17742 12011 1 18 . 1 1 43 43 ALA HA H 373 4.458 4.458 4.095 0.363 17742 12012 1 18 . 1 1 43 43 ALA C C 373 179.093 179.093 179.473 -0.380 17742 12013 1 18 . 1 1 43 43 ALA CA C 373 55.451 55.451 55.458 -0.007 17742 12014 1 18 . 1 1 43 43 ALA CB C 373 18.324 18.324 18.430 -0.106 17742 12015 1 18 . 1 1 43 43 ALA H H 373 8.072 8.072 8.545 -0.473 17742 12016 1 18 . 1 1 44 44 ARG N N 374 117.916 117.916 119.402 -1.486 17742 12017 1 18 . 1 1 44 44 ARG HA H 374 4.093 4.093 4.046 0.047 17742 12018 1 18 . 1 1 44 44 ARG C C 374 179.473 179.473 179.097 0.376 17742 12019 1 18 . 1 1 44 44 ARG CA C 374 59.372 59.372 59.868 -0.496 17742 12020 1 18 . 1 1 44 44 ARG CB C 374 30.114 30.114 30.305 -0.191 17742 12021 1 18 . 1 1 44 44 ARG H H 374 7.769 7.769 8.175 -0.406 17742 12022 1 18 . 1 1 45 45 LEU N N 375 121.489 121.489 119.985 1.504 17742 12023 1 18 . 1 1 45 45 LEU HA H 375 4.007 4.007 4.080 -0.073 17742 12024 1 18 . 1 1 45 45 LEU C C 375 180.049 180.049 179.682 0.367 17742 12025 1 18 . 1 1 45 45 LEU CA C 375 58.390 58.390 57.998 0.392 17742 12026 1 18 . 1 1 45 45 LEU CB C 375 41.552 41.552 41.850 -0.298 17742 12027 1 18 . 1 1 45 45 LEU H H 375 7.903 7.903 8.530 -0.627 17742 12028 1 18 . 1 1 46 46 TRP N N 376 121.466 121.466 121.461 0.005 17742 12029 1 18 . 1 1 46 46 TRP HA H 376 4.089 4.089 3.429 0.660 17742 12030 1 18 . 1 1 46 46 TRP C C 376 177.939 177.939 178.323 -0.384 17742 12031 1 18 . 1 1 46 46 TRP CA C 376 60.022 60.022 60.475 -0.453 17742 12032 1 18 . 1 1 46 46 TRP CB C 376 28.817 28.817 29.022 -0.205 17742 12033 1 18 . 1 1 46 46 TRP H H 376 8.633 8.633 8.523 0.110 17742 12034 1 18 . 1 1 47 47 GLY N N 377 105.142 105.142 106.292 -1.150 17742 12035 1 18 . 1 1 47 47 GLY C C 377 176.128 176.128 175.832 0.296 17742 12036 1 18 . 1 1 47 47 GLY CA C 377 48.035 48.035 46.693 1.343 17742 12037 1 18 . 1 1 47 47 GLY H H 377 8.828 8.828 8.783 0.045 17742 12038 1 18 . 1 1 48 48 ASN N N 378 120.327 120.327 121.543 -1.216 17742 12039 1 18 . 1 1 48 48 ASN HA H 378 4.402 4.402 4.461 -0.059 17742 12040 1 18 . 1 1 48 48 ASN C C 378 178.625 178.625 177.874 0.751 17742 12041 1 18 . 1 1 48 48 ASN CA C 378 56.231 56.231 55.809 0.422 17742 12042 1 18 . 1 1 48 48 ASN CB C 378 38.132 38.132 38.155 -0.023 17742 12043 1 18 . 1 1 48 48 ASN H H 378 8.212 8.212 8.178 0.034 17742 12044 1 18 . 1 1 49 49 HIS N N 379 121.871 121.871 119.978 1.893 17742 12045 1 18 . 1 1 49 49 HIS HA H 379 4.205 4.205 4.274 -0.069 17742 12046 1 18 . 1 1 49 49 HIS C C 379 176.086 176.086 176.193 -0.107 17742 12047 1 18 . 1 1 49 49 HIS CA C 379 59.390 59.390 59.042 0.348 17742 12048 1 18 . 1 1 49 49 HIS CB C 379 29.564 29.564 29.618 -0.054 17742 12049 1 18 . 1 1 49 49 HIS H H 379 8.094 8.094 7.693 0.401 17742 12050 1 18 . 1 1 50 50 LYS N N 380 115.181 115.181 116.471 -1.290 17742 12051 1 18 . 1 1 50 50 LYS HA H 380 3.911 3.911 4.322 -0.411 17742 12052 1 18 . 1 1 50 50 LYS C C 380 175.348 175.348 174.790 0.558 17742 12053 1 18 . 1 1 50 50 LYS CA C 380 53.632 53.632 54.805 -1.173 17742 12054 1 18 . 1 1 50 50 LYS CB C 380 30.742 30.742 31.527 -0.785 17742 12055 1 18 . 1 1 50 50 LYS H H 380 7.482 7.482 7.449 0.033 17742 12056 1 18 . 1 1 51 51 ASN N N 381 116.362 116.362 113.955 2.407 17742 12057 1 18 . 1 1 51 51 ASN HA H 381 4.259 4.259 4.180 0.079 17742 12058 1 18 . 1 1 51 51 ASN C C 381 174.400 174.400 174.455 -0.055 17742 12059 1 18 . 1 1 51 51 ASN CA C 381 54.312 54.312 54.315 -0.003 17742 12060 1 18 . 1 1 51 51 ASN CB C 381 37.272 37.272 37.756 -0.484 17742 12061 1 18 . 1 1 51 51 ASN H H 381 7.753 7.753 7.879 -0.126 17742 12062 1 18 . 1 1 52 52 ARG N N 382 117.723 117.723 119.865 -2.142 17742 12063 1 18 . 1 1 52 52 ARG HA H 382 4.658 4.658 4.446 0.212 17742 12064 1 18 . 1 1 52 52 ARG C C 382 176.209 176.209 176.811 -0.602 17742 12065 1 18 . 1 1 52 52 ARG CA C 382 53.668 53.668 54.952 -1.284 17742 12066 1 18 . 1 1 52 52 ARG CB C 382 32.212 32.212 30.306 1.906 17742 12067 1 18 . 1 1 52 52 ARG H H 382 8.476 8.476 7.967 0.509 17742 12068 1 18 . 1 1 53 53 THR N N 383 114.109 114.109 115.262 -1.153 17742 12069 1 18 . 1 1 53 53 THR HA H 383 4.221 4.221 4.295 -0.074 17742 12070 1 18 . 1 1 53 53 THR C C 383 174.644 174.644 174.947 -0.303 17742 12071 1 18 . 1 1 53 53 THR CA C 383 62.187 62.187 63.406 -1.219 17742 12072 1 18 . 1 1 53 53 THR CB C 383 69.710 69.710 69.285 0.424 17742 12073 1 18 . 1 1 53 53 THR H H 383 8.333 8.333 8.543 -0.210 17742 12074 1 18 . 1 1 54 54 ASN N N 384 118.768 118.768 119.601 -0.833 17742 12075 1 18 . 1 1 54 54 ASN HA H 384 4.609 4.609 4.668 -0.059 17742 12076 1 18 . 1 1 54 54 ASN C C 384 174.975 174.975 173.756 1.219 17742 12077 1 18 . 1 1 54 54 ASN CA C 384 53.193 53.193 52.962 0.231 17742 12078 1 18 . 1 1 54 54 ASN CB C 384 37.632 37.632 36.710 0.922 17742 12079 1 18 . 1 1 54 54 ASN H H 384 8.521 8.521 8.420 0.101 17742 12080 1 18 . 1 1 55 55 MET N N 385 119.621 119.621 119.945 -0.324 17742 12081 1 18 . 1 1 55 55 MET HA H 385 4.566 4.566 4.769 -0.203 17742 12082 1 18 . 1 1 55 55 MET C C 385 175.078 175.078 175.104 -0.026 17742 12083 1 18 . 1 1 55 55 MET CA C 385 55.298 55.298 55.110 0.188 17742 12084 1 18 . 1 1 55 55 MET CB C 385 31.244 31.244 35.612 -4.368 17742 12085 1 18 . 1 1 55 55 MET H H 385 8.162 8.162 7.999 0.163 17742 12086 1 18 . 1 1 56 56 THR N N 386 113.114 113.114 119.152 -6.038 17742 12087 1 18 . 1 1 56 56 THR HA H 386 4.824 4.824 4.676 0.148 17742 12088 1 18 . 1 1 56 56 THR C C 386 175.549 175.549 174.058 1.491 17742 12089 1 18 . 1 1 56 56 THR CA C 386 59.060 59.060 60.893 -1.833 17742 12090 1 18 . 1 1 56 56 THR CB C 386 72.290 72.290 71.234 1.056 17742 12091 1 18 . 1 1 56 56 THR H H 386 7.031 7.031 8.046 -1.015 17742 12092 1 18 . 1 1 57 57 TYR N N 387 123.401 123.401 124.259 -0.858 17742 12093 1 18 . 1 1 57 57 TYR HA H 387 4.134 4.134 4.149 -0.015 17742 12094 1 18 . 1 1 57 57 TYR C C 387 177.304 177.304 177.069 0.235 17742 12095 1 18 . 1 1 57 57 TYR CA C 387 62.300 62.300 62.997 -0.697 17742 12096 1 18 . 1 1 57 57 TYR CB C 387 37.359 37.359 38.622 -1.263 17742 12097 1 18 . 1 1 57 57 TYR H H 387 9.691 9.691 9.124 0.567 17742 12098 1 18 . 1 1 58 58 GLU N N 388 120.999 120.999 116.889 4.110 17742 12099 1 18 . 1 1 58 58 GLU HA H 388 3.823 3.823 4.148 -0.325 17742 12100 1 18 . 1 1 58 58 GLU C C 388 179.213 179.213 178.445 0.768 17742 12101 1 18 . 1 1 58 58 GLU CA C 388 60.477 60.477 59.361 1.116 17742 12102 1 18 . 1 1 58 58 GLU CB C 388 28.895 28.895 29.072 -0.177 17742 12103 1 18 . 1 1 58 58 GLU H H 388 8.838 8.838 9.037 -0.199 17742 12104 1 18 . 1 1 59 59 LYS N N 389 118.962 118.962 116.511 2.451 17742 12105 1 18 . 1 1 59 59 LYS HA H 389 3.939 3.939 4.201 -0.262 17742 12106 1 18 . 1 1 59 59 LYS C C 389 178.797 178.797 178.151 0.646 17742 12107 1 18 . 1 1 59 59 LYS CA C 389 60.065 60.065 58.188 1.877 17742 12108 1 18 . 1 1 59 59 LYS CB C 389 33.378 33.378 32.831 0.547 17742 12109 1 18 . 1 1 59 59 LYS H H 389 7.506 7.506 7.842 -0.336 17742 12110 1 18 . 1 1 60 60 MET N N 390 120.087 120.087 119.587 0.500 17742 12111 1 18 . 1 1 60 60 MET HA H 390 3.869 3.869 4.353 -0.484 17742 12112 1 18 . 1 1 60 60 MET C C 390 178.146 178.146 177.380 0.766 17742 12113 1 18 . 1 1 60 60 MET CA C 390 59.776 59.776 57.072 2.704 17742 12114 1 18 . 1 1 60 60 MET CB C 390 33.462 33.462 32.893 0.569 17742 12115 1 18 . 1 1 60 60 MET H H 390 8.051 8.051 7.833 0.218 17742 12116 1 18 . 1 1 61 61 SER N N 391 114.537 114.537 115.782 -1.245 17742 12117 1 18 . 1 1 61 61 SER HA H 391 3.786 3.786 3.798 -0.012 17742 12118 1 18 . 1 1 61 61 SER C C 391 176.380 176.380 176.273 0.107 17742 12119 1 18 . 1 1 61 61 SER CA C 391 61.600 61.600 60.836 0.764 17742 12120 1 18 . 1 1 61 61 SER CB C 391 62.251 62.251 62.645 -0.394 17742 12121 1 18 . 1 1 61 61 SER H H 391 8.853 8.853 8.640 0.213 17742 12122 1 18 . 1 1 62 62 ARG N N 392 122.214 122.214 121.987 0.227 17742 12123 1 18 . 1 1 62 62 ARG HA H 392 3.928 3.928 3.946 -0.018 17742 12124 1 18 . 1 1 62 62 ARG C C 392 178.732 178.732 177.758 0.974 17742 12125 1 18 . 1 1 62 62 ARG CA C 392 59.490 59.490 59.329 0.161 17742 12126 1 18 . 1 1 62 62 ARG CB C 392 30.207 30.207 29.966 0.241 17742 12127 1 18 . 1 1 62 62 ARG H H 392 7.471 7.471 7.961 -0.490 17742 12128 1 18 . 1 1 63 63 ALA N N 393 121.091 121.091 120.819 0.272 17742 12129 1 18 . 1 1 63 63 ALA HA H 393 4.162 4.162 4.148 0.014 17742 12130 1 18 . 1 1 63 63 ALA C C 393 179.699 179.699 178.710 0.989 17742 12131 1 18 . 1 1 63 63 ALA CA C 393 54.722 54.722 54.286 0.436 17742 12132 1 18 . 1 1 63 63 ALA CB C 393 18.154 18.154 18.432 -0.278 17742 12133 1 18 . 1 1 63 63 ALA H H 393 7.376 7.376 7.283 0.093 17742 12134 1 18 . 1 1 64 64 LEU N N 394 117.568 117.568 118.504 -0.936 17742 12135 1 18 . 1 1 64 64 LEU HA H 394 3.777 3.777 3.050 0.727 17742 12136 1 18 . 1 1 64 64 LEU C C 394 178.085 178.085 178.016 0.069 17742 12137 1 18 . 1 1 64 64 LEU CA C 394 58.075 58.075 56.567 1.508 17742 12138 1 18 . 1 1 64 64 LEU CB C 394 41.052 41.052 40.931 0.121 17742 12139 1 18 . 1 1 64 64 LEU H H 394 7.853 7.853 6.848 1.005 17742 12140 1 18 . 1 1 65 65 ARG N N 395 116.111 116.111 118.726 -2.615 17742 12141 1 18 . 1 1 65 65 ARG HA H 395 3.529 3.529 3.709 -0.180 17742 12142 1 18 . 1 1 65 65 ARG C C 395 179.519 179.519 178.331 1.188 17742 12143 1 18 . 1 1 65 65 ARG CA C 395 59.133 59.133 58.840 0.293 17742 12144 1 18 . 1 1 65 65 ARG CB C 395 30.004 30.004 29.329 0.675 17742 12145 1 18 . 1 1 65 65 ARG H H 395 7.521 7.521 8.116 -0.595 17742 12146 1 18 . 1 1 66 66 HIS N N 396 118.081 118.081 116.669 1.412 17742 12147 1 18 . 1 1 66 66 HIS HA H 396 4.436 4.436 4.418 0.018 17742 12148 1 18 . 1 1 66 66 HIS C C 396 177.826 177.826 177.958 -0.132 17742 12149 1 18 . 1 1 66 66 HIS CA C 396 59.063 59.063 59.425 -0.362 17742 12150 1 18 . 1 1 66 66 HIS CB C 396 30.154 30.154 29.862 0.292 17742 12151 1 18 . 1 1 66 66 HIS H H 396 7.241 7.241 7.518 -0.277 17742 12152 1 18 . 1 1 67 67 TYR N N 397 116.301 116.301 119.088 -2.787 17742 12153 1 18 . 1 1 67 67 TYR HA H 397 4.128 4.128 4.238 -0.110 17742 12154 1 18 . 1 1 67 67 TYR C C 397 179.075 179.075 178.124 0.951 17742 12155 1 18 . 1 1 67 67 TYR CA C 397 61.525 61.525 59.274 2.251 17742 12156 1 18 . 1 1 67 67 TYR CB C 397 37.522 37.522 36.548 0.974 17742 12157 1 18 . 1 1 67 67 TYR H H 397 7.532 7.532 7.462 0.070 17742 12158 1 18 . 1 1 68 68 TYR N N 398 121.389 121.389 117.195 4.194 17742 12159 1 18 . 1 1 68 68 TYR HA H 398 5.474 5.474 4.706 0.768 17742 12160 1 18 . 1 1 68 68 TYR C C 398 172.285 172.285 177.982 -5.697 17742 12161 1 18 . 1 1 68 68 TYR CA C 398 57.651 57.651 58.727 -1.076 17742 12162 1 18 . 1 1 68 68 TYR CB C 398 37.055 37.055 37.488 -0.433 17742 12163 1 18 . 1 1 68 68 TYR H H 398 8.061 8.061 7.547 0.514 17742 12164 1 18 . 1 1 69 69 LYS N N 399 121.098 121.098 118.246 2.852 17742 12165 1 18 . 1 1 69 69 LYS HA H 399 4.125 4.125 4.304 -0.179 17742 12166 1 18 . 1 1 69 69 LYS C C 399 178.122 178.122 178.180 -0.058 17742 12167 1 18 . 1 1 69 69 LYS CA C 399 58.801 58.801 56.501 2.300 17742 12168 1 18 . 1 1 69 69 LYS CB C 399 32.242 32.242 32.436 -0.194 17742 12169 1 18 . 1 1 69 69 LYS H H 399 7.799 7.799 7.720 0.079 17742 12170 1 18 . 1 1 70 70 LEU N N 400 116.117 116.117 118.365 -2.248 17742 12171 1 18 . 1 1 70 70 LEU HA H 400 4.312 4.312 4.328 -0.016 17742 12172 1 18 . 1 1 70 70 LEU C C 400 175.903 175.903 176.140 -0.237 17742 12173 1 18 . 1 1 70 70 LEU CA C 400 54.642 54.642 55.383 -0.741 17742 12174 1 18 . 1 1 70 70 LEU CB C 400 42.796 42.796 42.064 0.732 17742 12175 1 18 . 1 1 70 70 LEU H H 400 7.257 7.257 8.464 -1.207 17742 12176 1 18 . 1 1 71 71 ASN N N 401 115.181 115.181 112.752 2.429 17742 12177 1 18 . 1 1 71 71 ASN HA H 401 4.368 4.368 4.365 0.003 17742 12178 1 18 . 1 1 71 71 ASN C C 401 173.597 173.597 175.623 -2.026 17742 12179 1 18 . 1 1 71 71 ASN CA C 401 54.622 54.622 54.269 0.353 17742 12180 1 18 . 1 1 71 71 ASN CB C 401 37.252 37.252 35.917 1.335 17742 12181 1 18 . 1 1 71 71 ASN H H 401 8.061 8.061 8.364 -0.303 17742 12182 1 18 . 1 1 72 72 ILE N N 402 114.031 114.031 117.161 -3.130 17742 12183 1 18 . 1 1 72 72 ILE HA H 402 4.128 4.128 3.926 0.202 17742 12184 1 18 . 1 1 72 72 ILE C C 402 176.467 176.467 175.387 1.080 17742 12185 1 18 . 1 1 72 72 ILE CA C 402 63.720 63.720 64.097 -0.377 17742 12186 1 18 . 1 1 72 72 ILE CB C 402 40.491 40.491 39.046 1.445 17742 12187 1 18 . 1 1 72 72 ILE H H 402 8.104 8.104 8.252 -0.148 17742 12188 1 18 . 1 1 73 73 ILE N N 403 116.973 116.973 117.206 -0.233 17742 12189 1 18 . 1 1 73 73 ILE HA H 403 5.014 5.014 5.114 -0.100 17742 12190 1 18 . 1 1 73 73 ILE C C 403 174.039 174.039 173.888 0.151 17742 12191 1 18 . 1 1 73 73 ILE CA C 403 59.357 59.357 59.632 -0.275 17742 12192 1 18 . 1 1 73 73 ILE CB C 403 43.362 43.362 41.603 1.759 17742 12193 1 18 . 1 1 73 73 ILE H H 403 7.099 7.099 7.396 -0.297 17742 12194 1 18 . 1 1 74 74 ARG N N 404 123.639 123.639 124.252 -0.613 17742 12195 1 18 . 1 1 74 74 ARG HA H 404 4.771 4.771 4.762 0.009 17742 12196 1 18 . 1 1 74 74 ARG C C 404 174.917 174.917 174.363 0.554 17742 12197 1 18 . 1 1 74 74 ARG CA C 404 54.261 54.261 54.103 0.158 17742 12198 1 18 . 1 1 74 74 ARG CB C 404 34.689 34.689 33.313 1.376 17742 12199 1 18 . 1 1 74 74 ARG H H 404 8.983 8.983 8.565 0.418 17742 12200 1 18 . 1 1 75 75 LYS N N 405 125.665 125.665 123.084 2.581 17742 12201 1 18 . 1 1 75 75 LYS HA H 405 4.071 4.071 4.465 -0.394 17742 12202 1 18 . 1 1 75 75 LYS C C 405 176.525 176.525 176.714 -0.189 17742 12203 1 18 . 1 1 75 75 LYS CA C 405 56.470 56.470 56.898 -0.428 17742 12204 1 18 . 1 1 75 75 LYS CB C 405 32.649 32.649 32.995 -0.346 17742 12205 1 18 . 1 1 75 75 LYS H H 405 8.263 8.263 8.508 -0.245 17742 12206 1 18 . 1 1 76 76 GLU N N 406 128.072 128.072 124.141 3.931 17742 12207 1 18 . 1 1 76 76 GLU HA H 406 4.432 4.432 4.541 -0.109 17742 12208 1 18 . 1 1 76 76 GLU CA C 406 53.747 53.747 54.414 -0.667 17742 12209 1 18 . 1 1 76 76 GLU CB C 406 29.914 29.914 29.436 0.477 17742 12210 1 18 . 1 1 76 76 GLU H H 406 8.024 8.024 8.892 -0.868 17742 12211 1 18 . 1 1 77 77 PRO HA H 407 4.282 4.282 4.258 0.024 17742 12212 1 18 . 1 1 77 77 PRO C C 407 177.719 177.719 177.589 0.130 17742 12213 1 18 . 1 1 77 77 PRO CA C 407 63.407 63.407 64.357 -0.950 17742 12214 1 18 . 1 1 77 77 PRO CB C 407 32.184 32.184 31.277 0.907 17742 12215 1 18 . 1 1 78 78 GLY N N 408 109.716 109.716 112.653 -2.937 17742 12216 1 18 . 1 1 78 78 GLY C C 408 174.053 174.053 174.238 -0.185 17742 12217 1 18 . 1 1 78 78 GLY CA C 408 45.519 45.519 44.774 0.745 17742 12218 1 18 . 1 1 78 78 GLY H H 408 8.531 8.531 8.612 -0.081 17742 12219 1 18 . 1 1 79 79 GLN N N 409 116.964 116.964 119.816 -2.852 17742 12220 1 18 . 1 1 79 79 GLN HA H 409 4.488 4.488 4.699 -0.211 17742 12221 1 18 . 1 1 79 79 GLN C C 409 175.390 175.390 175.332 0.058 17742 12222 1 18 . 1 1 79 79 GLN CA C 409 54.359 54.359 54.267 0.092 17742 12223 1 18 . 1 1 79 79 GLN CB C 409 31.202 31.202 30.396 0.805 17742 12224 1 18 . 1 1 79 79 GLN H H 409 7.559 7.559 7.811 -0.252 17742 12225 1 18 . 1 1 80 80 ARG N N 410 120.457 120.457 120.172 0.285 17742 12226 1 18 . 1 1 80 80 ARG HA H 410 4.262 4.262 4.224 0.038 17742 12227 1 18 . 1 1 80 80 ARG C C 410 176.270 176.270 177.452 -1.182 17742 12228 1 18 . 1 1 80 80 ARG CA C 410 56.821 56.821 57.336 -0.515 17742 12229 1 18 . 1 1 80 80 ARG CB C 410 31.502 31.502 29.636 1.866 17742 12230 1 18 . 1 1 80 80 ARG H H 410 8.251 8.251 8.523 -0.272 17742 12231 1 18 . 1 1 81 81 LEU N N 411 119.348 119.348 120.585 -1.237 17742 12232 1 18 . 1 1 81 81 LEU HA H 411 4.023 4.023 4.351 -0.328 17742 12233 1 18 . 1 1 81 81 LEU C C 411 173.279 173.279 175.223 -1.944 17742 12234 1 18 . 1 1 81 81 LEU CA C 411 55.030 55.030 53.638 1.392 17742 12235 1 18 . 1 1 81 81 LEU CB C 411 40.335 40.335 40.788 -0.453 17742 12236 1 18 . 1 1 81 81 LEU H H 411 8.435 8.435 8.189 0.246 17742 12237 1 18 . 1 1 82 82 LEU N N 412 119.070 119.070 121.496 -2.426 17742 12238 1 18 . 1 1 82 82 LEU HA H 412 5.013 5.013 4.338 0.675 17742 12239 1 18 . 1 1 82 82 LEU C C 412 175.361 175.361 175.665 -0.304 17742 12240 1 18 . 1 1 82 82 LEU CA C 412 53.212 53.212 53.979 -0.767 17742 12241 1 18 . 1 1 82 82 LEU CB C 412 45.471 45.471 41.408 4.062 17742 12242 1 18 . 1 1 82 82 LEU H H 412 6.751 6.751 7.409 -0.658 17742 12243 1 18 . 1 1 83 83 PHE N N 413 122.184 122.184 124.583 -2.399 17742 12244 1 18 . 1 1 83 83 PHE HA H 413 4.865 4.865 5.333 -0.468 17742 12245 1 18 . 1 1 83 83 PHE C C 413 172.849 172.849 174.496 -1.647 17742 12246 1 18 . 1 1 83 83 PHE CA C 413 55.921 55.921 54.525 1.396 17742 12247 1 18 . 1 1 83 83 PHE CB C 413 44.569 44.569 42.666 1.903 17742 12248 1 18 . 1 1 83 83 PHE H H 413 8.661 8.661 8.921 -0.260 17742 12249 1 18 . 1 1 84 84 ARG N N 414 119.461 119.461 119.854 -0.393 17742 12250 1 18 . 1 1 84 84 ARG HA H 414 5.581 5.581 5.376 0.205 17742 12251 1 18 . 1 1 84 84 ARG C C 414 177.641 177.641 174.937 2.704 17742 12252 1 18 . 1 1 84 84 ARG CA C 414 54.239 54.239 55.208 -0.969 17742 12253 1 18 . 1 1 84 84 ARG CB C 414 36.198 36.198 34.125 2.073 17742 12254 1 18 . 1 1 84 84 ARG H H 414 9.098 9.098 8.962 0.136 17742 12255 1 18 . 1 1 85 85 PHE N N 415 124.274 124.274 128.131 -3.857 17742 12256 1 18 . 1 1 85 85 PHE HA H 415 5.027 5.027 5.016 0.011 17742 12257 1 18 . 1 1 85 85 PHE C C 415 176.117 176.117 176.299 -0.182 17742 12258 1 18 . 1 1 85 85 PHE CA C 415 59.657 59.657 59.450 0.207 17742 12259 1 18 . 1 1 85 85 PHE CB C 415 40.819 40.819 38.795 2.024 17742 12260 1 18 . 1 1 85 85 PHE H H 415 8.928 8.928 9.471 -0.543 17742 12261 1 18 . 1 1 86 86 MET N N 416 121.081 121.081 122.966 -1.885 17742 12262 1 18 . 1 1 86 86 MET HA H 416 4.656 4.656 4.358 0.298 17742 12263 1 18 . 1 1 86 86 MET C C 416 176.444 176.444 176.695 -0.251 17742 12264 1 18 . 1 1 86 86 MET CA C 416 54.681 54.681 56.296 -1.615 17742 12265 1 18 . 1 1 86 86 MET CB C 416 31.698 31.698 32.428 -0.730 17742 12266 1 18 . 1 1 86 86 MET H H 416 8.676 8.676 8.835 -0.159 17742 12267 1 18 . 1 1 87 87 LYS N N 417 117.772 117.772 113.790 3.982 17742 12268 1 18 . 1 1 87 87 LYS HA H 417 4.899 4.899 4.643 0.256 17742 12269 1 18 . 1 1 87 87 LYS C C 417 175.621 175.621 175.058 0.563 17742 12270 1 18 . 1 1 87 87 LYS CA C 417 54.522 54.522 54.661 -0.139 17742 12271 1 18 . 1 1 87 87 LYS CB C 417 37.905 37.905 35.573 2.332 17742 12272 1 18 . 1 1 87 87 LYS H H 417 7.624 7.624 7.402 0.222 17742 12273 1 18 . 1 1 88 88 THR N N 418 112.426 112.426 111.380 1.046 17742 12274 1 18 . 1 1 88 88 THR HA H 418 4.372 4.372 4.434 -0.062 17742 12275 1 18 . 1 1 88 88 THR CA C 418 59.786 59.786 58.742 1.044 17742 12276 1 18 . 1 1 88 88 THR CB C 418 68.040 68.040 68.586 -0.546 17742 12277 1 18 . 1 1 88 88 THR H H 418 8.787 8.787 9.275 -0.488 17742 12278 1 18 . 1 1 89 89 PRO HA H 419 3.654 3.654 3.424 0.230 17742 12279 1 18 . 1 1 89 89 PRO C C 419 177.412 177.412 178.510 -1.098 17742 12280 1 18 . 1 1 89 89 PRO CA C 419 65.712 65.712 66.716 -1.004 17742 12281 1 18 . 1 1 89 89 PRO CB C 419 31.762 31.762 31.836 -0.074 17742 12282 1 18 . 1 1 90 90 ASP N N 420 114.221 114.221 113.365 0.856 17742 12283 1 18 . 1 1 90 90 ASP HA H 420 4.224 4.224 4.375 -0.151 17742 12284 1 18 . 1 1 90 90 ASP C C 420 178.341 178.341 176.803 1.538 17742 12285 1 18 . 1 1 90 90 ASP CA C 420 56.657 56.657 56.016 0.641 17742 12286 1 18 . 1 1 90 90 ASP CB C 420 40.642 40.642 40.734 -0.092 17742 12287 1 18 . 1 1 90 90 ASP H H 420 7.958 7.958 8.386 -0.428 17742 12288 1 18 . 1 1 91 91 GLU N N 421 119.443 119.443 117.207 2.236 17742 12289 1 18 . 1 1 91 91 GLU HA H 421 4.006 4.006 4.057 -0.051 17742 12290 1 18 . 1 1 91 91 GLU C C 421 179.238 179.238 178.965 0.273 17742 12291 1 18 . 1 1 91 91 GLU CA C 421 58.458 58.458 58.201 0.257 17742 12292 1 18 . 1 1 91 91 GLU CB C 421 30.774 30.774 29.877 0.897 17742 12293 1 18 . 1 1 91 91 GLU H H 421 7.628 7.628 7.592 0.036 17742 12294 1 18 . 1 1 92 92 ILE N N 422 120.617 120.617 120.575 0.042 17742 12295 1 18 . 1 1 92 92 ILE HA H 422 3.589 3.589 3.542 0.047 17742 12296 1 18 . 1 1 92 92 ILE C C 422 178.124 178.124 176.689 1.435 17742 12297 1 18 . 1 1 92 92 ILE CA C 422 63.878 63.878 64.437 -0.559 17742 12298 1 18 . 1 1 92 92 ILE CB C 422 38.142 38.142 37.590 0.552 17742 12299 1 18 . 1 1 92 92 ILE H H 422 7.896 7.896 7.663 0.233 17742 12300 1 18 . 1 1 93 93 MET N N 423 117.857 117.857 115.958 1.899 17742 12301 1 18 . 1 1 93 93 MET HA H 423 4.365 4.365 4.250 0.115 17742 12302 1 18 . 1 1 93 93 MET C C 423 177.009 177.009 176.701 0.308 17742 12303 1 18 . 1 1 93 93 MET CA C 423 56.527 56.527 56.849 -0.322 17742 12304 1 18 . 1 1 93 93 MET CB C 423 32.617 32.617 31.938 0.679 17742 12305 1 18 . 1 1 93 93 MET H H 423 8.161 8.161 7.824 0.337 17742 12306 1 18 . 1 1 94 94 SER N N 424 114.591 114.591 114.421 0.170 17742 12307 1 18 . 1 1 94 94 SER HA H 424 4.406 4.406 4.332 0.074 17742 12308 1 18 . 1 1 94 94 SER C C 424 175.262 175.262 174.951 0.311 17742 12309 1 18 . 1 1 94 94 SER CA C 424 59.482 59.482 58.255 1.227 17742 12310 1 18 . 1 1 94 94 SER CB C 424 63.466 63.466 62.822 0.644 17742 12311 1 18 . 1 1 94 94 SER H H 424 7.744 7.744 7.405 0.339 17742 12312 1 18 . 1 1 95 95 GLY N N 425 109.590 109.590 108.070 1.520 17742 12313 1 18 . 1 1 95 95 GLY C C 425 174.197 174.197 175.622 -1.425 17742 12314 1 18 . 1 1 95 95 GLY CA C 425 45.122 45.122 44.906 0.216 17742 12315 1 18 . 1 1 95 95 GLY H H 425 7.970 7.970 7.380 0.590 17742 12316 1 18 . 1 1 96 96 ARG N N 426 119.792 119.792 119.874 -0.082 17742 12317 1 18 . 1 1 96 96 ARG HA H 426 4.567 4.567 4.435 0.132 17742 12318 1 18 . 1 1 96 96 ARG C C 426 177.866 177.866 178.030 -0.164 17742 12319 1 18 . 1 1 96 96 ARG CA C 426 55.757 55.757 56.913 -1.156 17742 12320 1 18 . 1 1 96 96 ARG CB C 426 30.059 30.059 30.403 -0.344 17742 12321 1 18 . 1 1 96 96 ARG H H 426 8.144 8.144 7.749 0.395 17742 12322 1 18 . 1 1 97 97 THR N N 427 114.770 114.770 112.531 2.239 17742 12323 1 18 . 1 1 97 97 THR HA H 427 4.221 4.221 4.172 0.049 17742 12324 1 18 . 1 1 97 97 THR C C 427 175.449 175.449 175.568 -0.119 17742 12325 1 18 . 1 1 97 97 THR CA C 427 63.411 63.411 65.929 -2.518 17742 12326 1 18 . 1 1 97 97 THR CB C 427 69.080 69.080 68.385 0.695 17742 12327 1 18 . 1 1 97 97 THR H H 427 8.427 8.427 7.827 0.600 17742 12328 1 18 . 1 1 98 98 ASP N N 428 122.017 122.017 121.569 0.448 17742 12329 1 18 . 1 1 98 98 ASP HA H 428 4.404 4.404 4.354 0.050 17742 12330 1 18 . 1 1 98 98 ASP C C 428 178.042 178.042 178.131 -0.089 17742 12331 1 18 . 1 1 98 98 ASP CA C 428 56.438 56.438 57.040 -0.602 17742 12332 1 18 . 1 1 98 98 ASP CB C 428 40.012 40.012 40.399 -0.387 17742 12333 1 18 . 1 1 98 98 ASP H H 428 8.659 8.659 8.100 0.559 17742 12334 1 18 . 1 1 99 99 ARG N N 429 120.083 120.083 120.326 -0.243 17742 12335 1 18 . 1 1 99 99 ARG HA H 429 4.190 4.190 4.077 0.113 17742 12336 1 18 . 1 1 99 99 ARG C C 429 178.236 178.236 178.424 -0.188 17742 12337 1 18 . 1 1 99 99 ARG CA C 429 58.307 58.307 58.835 -0.528 17742 12338 1 18 . 1 1 99 99 ARG CB C 429 30.073 30.073 30.038 0.035 17742 12339 1 18 . 1 1 99 99 ARG H H 429 8.011 8.011 7.529 0.482 17742 12340 1 18 . 1 1 100 100 LEU N N 430 119.784 119.784 120.259 -0.475 17742 12341 1 18 . 1 1 100 100 LEU HA H 430 4.048 4.048 4.124 -0.076 17742 12342 1 18 . 1 1 100 100 LEU C C 430 178.209 178.209 179.068 -0.859 17742 12343 1 18 . 1 1 100 100 LEU CA C 430 57.535 57.535 57.752 -0.217 17742 12344 1 18 . 1 1 100 100 LEU CB C 430 42.218 42.218 40.693 1.526 17742 12345 1 18 . 1 1 100 100 LEU H H 430 7.667 7.667 7.742 -0.075 17742 12346 1 18 . 1 1 101 101 GLU N N 431 119.434 119.434 117.114 2.320 17742 12347 1 18 . 1 1 101 101 GLU HA H 431 3.962 3.962 4.028 -0.066 17742 12348 1 18 . 1 1 101 101 GLU C C 431 178.773 178.773 178.866 -0.093 17742 12349 1 18 . 1 1 101 101 GLU CA C 431 59.470 59.470 59.617 -0.147 17742 12350 1 18 . 1 1 101 101 GLU CB C 431 29.667 29.667 29.432 0.235 17742 12351 1 18 . 1 1 101 101 GLU H H 431 8.339 8.339 8.816 -0.477 17742 12352 1 18 . 1 1 102 102 HIS N N 432 118.026 118.026 118.104 -0.078 17742 12353 1 18 . 1 1 102 102 HIS HA H 432 4.463 4.463 4.459 0.004 17742 12354 1 18 . 1 1 102 102 HIS C C 432 177.322 177.322 177.163 0.159 17742 12355 1 18 . 1 1 102 102 HIS CA C 432 58.432 58.432 58.682 -0.250 17742 12356 1 18 . 1 1 102 102 HIS CB C 432 29.237 29.237 30.647 -1.410 17742 12357 1 18 . 1 1 102 102 HIS H H 432 7.995 7.995 7.456 0.539 17742 12358 1 18 . 1 1 103 103 LEU N N 433 120.785 120.785 120.977 -0.192 17742 12359 1 18 . 1 1 103 103 LEU HA H 433 3.971 3.971 4.240 -0.269 17742 12360 1 18 . 1 1 103 103 LEU C C 433 179.014 179.014 178.839 0.175 17742 12361 1 18 . 1 1 103 103 LEU CA C 433 57.570 57.570 57.322 0.248 17742 12362 1 18 . 1 1 103 103 LEU CB C 433 41.606 41.606 41.349 0.257 17742 12363 1 18 . 1 1 103 103 LEU H H 433 8.077 8.077 8.530 -0.453 17742 12364 1 18 . 1 1 104 104 GLU N N 434 119.107 119.107 118.018 1.089 17742 12365 1 18 . 1 1 104 104 GLU HA H 434 4.025 4.025 3.989 0.036 17742 12366 1 18 . 1 1 104 104 GLU C C 434 178.187 178.187 178.775 -0.588 17742 12367 1 18 . 1 1 104 104 GLU CA C 434 60.221 60.221 59.661 0.560 17742 12368 1 18 . 1 1 104 104 GLU CB C 434 30.104 30.104 29.578 0.526 17742 12369 1 18 . 1 1 104 104 GLU H H 434 8.443 8.443 8.923 -0.480 17742 12370 1 18 . 1 1 105 105 SER N N 435 114.129 114.129 113.882 0.247 17742 12371 1 18 . 1 1 105 105 SER HA H 435 4.204 4.204 4.182 0.022 17742 12372 1 18 . 1 1 105 105 SER C C 435 175.924 175.924 175.811 0.113 17742 12373 1 18 . 1 1 105 105 SER CA C 435 61.303 61.303 60.655 0.648 17742 12374 1 18 . 1 1 105 105 SER CB C 435 63.070 63.070 62.792 0.278 17742 12375 1 18 . 1 1 105 105 SER H H 435 8.041 8.041 7.852 0.189 17742 12376 1 18 . 1 1 106 106 GLN N N 436 120.201 120.201 120.474 -0.273 17742 12377 1 18 . 1 1 106 106 GLN HA H 436 4.124 4.124 4.122 0.002 17742 12378 1 18 . 1 1 106 106 GLN C C 436 178.242 178.242 178.182 0.060 17742 12379 1 18 . 1 1 106 106 GLN CA C 436 58.242 58.242 58.067 0.175 17742 12380 1 18 . 1 1 106 106 GLN CB C 436 29.001 29.001 29.291 -0.290 17742 12381 1 18 . 1 1 106 106 GLN H H 436 7.823 7.823 7.712 0.111 17742 12382 1 18 . 1 1 107 107 VAL N N 437 117.503 117.503 120.061 -2.558 17742 12383 1 18 . 1 1 107 107 VAL HA H 437 3.955 3.955 3.997 -0.042 17742 12384 1 18 . 1 1 107 107 VAL C C 437 177.462 177.462 176.639 0.823 17742 12385 1 18 . 1 1 107 107 VAL CA C 437 64.414 64.414 65.356 -0.942 17742 12386 1 18 . 1 1 107 107 VAL CB C 437 32.192 32.192 32.032 0.160 17742 12387 1 18 . 1 1 107 107 VAL H H 437 7.711 7.711 8.467 -0.756 17742 12388 1 18 . 1 1 108 108 LEU HA H 438 4.072 4.072 4.137 -0.065 17742 12389 1 18 . 1 1 108 108 LEU C C 438 177.614 177.614 176.937 0.677 17742 12390 1 18 . 1 1 108 108 LEU CA C 438 56.521 56.521 55.746 0.775 17742 12391 1 18 . 1 1 108 108 LEU CB C 438 42.149 42.149 41.346 0.803 17742 12392 1 18 . 1 1 109 109 ASP N N 439 118.500 118.500 117.837 0.663 17742 12393 1 18 . 1 1 109 109 ASP HA H 439 4.685 4.685 4.628 0.057 17742 12394 1 18 . 1 1 109 109 ASP C C 439 176.372 176.372 177.228 -0.856 17742 12395 1 18 . 1 1 109 109 ASP CA C 439 54.653 54.653 54.438 0.215 17742 12396 1 18 . 1 1 109 109 ASP CB C 439 41.425 41.425 42.023 -0.598 17742 12397 1 18 . 1 1 109 109 ASP H H 439 7.872 7.872 7.860 0.012 17742 12398 1 18 . 1 1 110 110 GLU N N 440 120.701 120.701 118.541 2.160 17742 12399 1 18 . 1 1 110 110 GLU HA H 440 4.188 4.188 4.020 0.168 17742 12400 1 18 . 1 1 110 110 GLU C C 440 176.739 176.739 176.927 -0.188 17742 12401 1 18 . 1 1 110 110 GLU CA C 440 57.310 57.310 58.646 -1.336 17742 12402 1 18 . 1 1 110 110 GLU CB C 440 30.091 30.091 30.074 0.017 17742 12403 1 18 . 1 1 110 110 GLU H H 440 7.929 7.929 8.094 -0.165 17742 12404 1 18 . 1 1 111 111 GLN N N 441 120.829 120.829 117.540 3.289 17742 12405 1 18 . 1 1 111 111 GLN HA H 441 4.341 4.341 4.349 -0.008 17742 12406 1 18 . 1 1 111 111 GLN C C 441 176.214 176.214 175.683 0.531 17742 12407 1 18 . 1 1 111 111 GLN CA C 441 56.103 56.103 54.487 1.616 17742 12408 1 18 . 1 1 111 111 GLN CB C 441 29.607 29.607 29.627 -0.020 17742 12409 1 18 . 1 1 111 111 GLN H H 441 8.434 8.434 7.959 0.475 17742 12410 1 18 . 1 1 112 112 THR N N 442 114.861 114.861 114.040 0.821 17742 12411 1 18 . 1 1 112 112 THR HA H 442 4.258 4.258 4.195 0.063 17742 12412 1 18 . 1 1 112 112 THR C C 442 174.095 174.095 175.476 -1.381 17742 12413 1 18 . 1 1 112 112 THR CA C 442 62.140 62.140 61.925 0.215 17742 12414 1 18 . 1 1 112 112 THR CB C 442 69.870 69.870 69.132 0.739 17742 12415 1 18 . 1 1 112 112 THR H H 442 8.038 8.038 8.263 -0.225 17742 12416 1 18 . 1 1 113 113 TYR N N 443 122.709 122.709 119.252 3.457 17742 12417 1 18 . 1 1 113 113 TYR HA H 443 4.552 4.552 4.583 -0.031 17742 12418 1 18 . 1 1 113 113 TYR C C 443 175.303 175.303 174.965 0.338 17742 12419 1 18 . 1 1 113 113 TYR CA C 443 57.921 57.921 56.250 1.671 17742 12420 1 18 . 1 1 113 113 TYR CB C 443 38.982 38.982 36.309 2.673 17742 12421 1 18 . 1 1 113 113 TYR H H 443 8.171 8.171 8.615 -0.444 17742 12422 1 18 . 1 1 114 114 GLN N N 444 122.768 122.768 117.302 5.466 17742 12423 1 18 . 1 1 114 114 GLN HA H 444 4.284 4.284 3.868 0.416 17742 12424 1 18 . 1 1 114 114 GLN C C 444 175.372 175.372 174.715 0.657 17742 12425 1 18 . 1 1 114 114 GLN CA C 444 55.543 55.543 56.414 -0.871 17742 12426 1 18 . 1 1 114 114 GLN CB C 444 29.894 29.894 27.282 2.612 17742 12427 1 18 . 1 1 114 114 GLN H H 444 8.202 8.202 8.009 0.193 17742 12428 1 18 . 1 1 115 115 GLU N N 445 122.370 122.370 119.541 2.829 17742 12429 1 18 . 1 1 115 115 GLU HA H 445 4.225 4.225 3.621 0.604 17742 12430 1 18 . 1 1 115 115 GLU C C 445 176.058 176.058 176.063 -0.005 17742 12431 1 18 . 1 1 115 115 GLU CA C 445 56.612 56.612 57.320 -0.708 17742 12432 1 18 . 1 1 115 115 GLU CB C 445 30.517 30.517 29.654 0.863 17742 12433 1 18 . 1 1 115 115 GLU H H 445 8.371 8.371 7.772 0.599 17742 12434 1 18 . 1 1 116 116 ASP N N 446 121.090 121.090 125.543 -4.453 17742 12435 1 18 . 1 1 116 116 ASP HA H 446 4.595 4.595 4.729 -0.134 17742 12436 1 18 . 1 1 116 116 ASP C C 446 175.872 175.872 175.780 0.092 17742 12437 1 18 . 1 1 116 116 ASP CA C 446 54.382 54.382 53.728 0.654 17742 12438 1 18 . 1 1 116 116 ASP CB C 446 41.402 41.402 41.257 0.145 17742 12439 1 18 . 1 1 116 116 ASP H H 446 8.336 8.336 8.372 -0.036 17742 12440 1 18 . 1 1 117 117 GLU N N 447 121.977 121.977 121.132 0.845 17742 12441 1 18 . 1 1 117 117 GLU HA H 447 4.575 4.575 4.700 -0.125 17742 12442 1 18 . 1 1 117 117 GLU CA C 447 54.442 54.442 53.715 0.727 17742 12443 1 18 . 1 1 117 117 GLU CB C 447 30.254 30.254 29.343 0.911 17742 12444 1 18 . 1 1 117 117 GLU H H 447 8.194 8.194 8.052 0.142 17742 12445 1 18 . 1 1 118 118 PRO HA H 448 4.461 4.461 4.318 0.143 17742 12446 1 18 . 1 1 118 118 PRO C C 448 177.160 177.160 176.661 0.499 17742 12447 1 18 . 1 1 118 118 PRO CA C 448 63.371 63.371 63.191 0.180 17742 12448 1 18 . 1 1 118 118 PRO CB C 448 32.302 32.302 32.118 0.184 17742 12449 1 18 . 1 1 119 119 THR N N 449 114.788 114.788 113.594 1.194 17742 12450 1 18 . 1 1 119 119 THR HA H 449 4.292 4.292 3.995 0.297 17742 12451 1 18 . 1 1 119 119 THR C C 449 174.664 174.664 174.172 0.492 17742 12452 1 18 . 1 1 119 119 THR CA C 449 62.117 62.117 62.925 -0.807 17742 12453 1 18 . 1 1 119 119 THR CB C 449 69.861 69.861 68.843 1.018 17742 12454 1 18 . 1 1 119 119 THR H H 449 8.235 8.235 8.056 0.179 17742 12455 1 18 . 1 1 120 120 ILE N N 450 123.074 123.074 118.874 4.200 17742 12456 1 18 . 1 1 120 120 ILE HA H 450 4.169 4.169 3.733 0.436 17742 12457 1 18 . 1 1 120 120 ILE C C 450 175.683 175.683 174.626 1.057 17742 12458 1 18 . 1 1 120 120 ILE CA C 450 60.987 60.987 61.654 -0.667 17742 12459 1 18 . 1 1 120 120 ILE CB C 450 38.983 38.983 37.239 1.744 17742 12460 1 18 . 1 1 120 120 ILE H H 450 8.043 8.043 8.155 -0.112 17742 12461 1 18 . 1 1 121 121 ALA N N 451 128.011 128.011 128.525 -0.514 17742 12462 1 18 . 1 1 121 121 ALA HA H 451 4.332 4.332 4.539 -0.207 17742 12463 1 18 . 1 1 121 121 ALA C C 451 177.333 177.333 176.254 1.079 17742 12464 1 18 . 1 1 121 121 ALA CA C 451 52.364 52.364 52.080 0.284 17742 12465 1 18 . 1 1 121 121 ALA CB C 451 19.534 19.534 19.613 -0.078 17742 12466 1 18 . 1 1 121 121 ALA H H 451 8.277 8.277 8.221 0.056 17742 12467 1 18 . 1 1 122 122 SER N N 452 116.575 116.575 112.974 3.601 17742 12468 1 18 . 1 1 122 122 SER HA H 452 4.672 4.672 4.558 0.114 17742 12469 1 18 . 1 1 122 122 SER CA C 452 56.230 56.230 56.948 -0.718 17742 12470 1 18 . 1 1 122 122 SER CB C 452 63.460 63.460 63.744 -0.284 17742 12471 1 18 . 1 1 122 122 SER H H 452 8.161 8.161 7.523 0.638 17742 12472 1 18 . 1 1 123 123 PRO HA H 453 4.395 4.395 3.831 0.564 17742 12473 1 18 . 1 1 123 123 PRO C C 453 176.993 176.993 176.213 0.780 17742 12474 1 18 . 1 1 123 123 PRO CA C 453 63.303 63.303 62.819 0.484 17742 12475 1 18 . 1 1 123 123 PRO CB C 453 32.149 32.149 30.502 1.647 17742 12476 1 18 . 1 1 124 124 VAL N N 454 119.733 119.733 119.057 0.676 17742 12477 1 18 . 1 1 124 124 VAL HA H 454 4.010 4.010 3.749 0.261 17742 12478 1 18 . 1 1 124 124 VAL CA C 454 62.674 62.674 64.456 -1.782 17742 12479 1 18 . 1 1 124 124 VAL CB C 454 32.669 32.669 31.822 0.847 17742 12480 1 18 . 1 1 124 124 VAL H H 454 8.058 8.058 7.592 0.466 17742 12481 1 18 . 1 1 125 125 GLY N N 455 111.901 111.901 104.587 7.314 17742 12482 1 18 . 1 1 125 125 GLY CA C 455 45.152 45.152 44.403 0.749 17742 12483 1 18 . 1 1 125 125 GLY H H 455 8.255 8.255 7.601 0.654 17742 12484 1 18 . 1 1 126 126 TRP N N 456 122.405 122.405 120.350 2.055 17742 12485 1 18 . 1 1 126 126 TRP HA H 456 4.929 4.929 5.306 -0.377 17742 12486 1 18 . 1 1 126 126 TRP CA C 456 55.029 55.029 52.859 2.170 17742 12487 1 18 . 1 1 126 126 TRP CB C 456 29.383 29.383 29.557 -0.174 17742 12488 1 18 . 1 1 126 126 TRP H H 456 7.906 7.906 6.991 0.915 17742 12489 1 18 . 1 1 127 127 PRO HA H 457 4.429 4.429 4.409 0.020 17742 12490 1 18 . 1 1 127 127 PRO C C 457 175.951 175.951 176.781 -0.830 17742 12491 1 18 . 1 1 127 127 PRO CA C 457 63.558 63.558 62.800 0.758 17742 12492 1 18 . 1 1 127 127 PRO CB C 457 31.932 31.932 32.336 -0.404 17742 12493 1 19 . 1 1 5 5 ARG N N 335 123.607 123.607 121.551 2.056 17742 12494 1 19 . 1 1 5 5 ARG HA H 335 4.382 4.382 4.549 -0.167 17742 12495 1 19 . 1 1 5 5 ARG CA C 335 56.926 56.926 55.383 1.544 17742 12496 1 19 . 1 1 5 5 ARG H H 335 9.161 9.161 9.251 -0.090 17742 12497 1 19 . 1 1 6 6 LEU N N 336 122.412 122.412 118.725 3.687 17742 12498 1 19 . 1 1 6 6 LEU CB C 336 42.172 42.172 42.021 0.151 17742 12499 1 19 . 1 1 6 6 LEU H H 336 8.775 8.775 7.512 1.263 17742 12500 1 19 . 1 1 7 7 LEU HA H 337 3.669 3.669 4.354 -0.685 17742 12501 1 19 . 1 1 7 7 LEU CA C 337 59.053 59.053 58.472 0.581 17742 12502 1 19 . 1 1 7 7 LEU CB C 337 40.447 40.447 42.277 -1.830 17742 12503 1 19 . 1 1 8 8 TRP N N 338 114.197 114.197 115.473 -1.276 17742 12504 1 19 . 1 1 8 8 TRP HA H 338 3.747 3.747 4.637 -0.890 17742 12505 1 19 . 1 1 8 8 TRP CA C 338 60.071 60.071 59.379 0.692 17742 12506 1 19 . 1 1 8 8 TRP CB C 338 28.481 28.481 28.489 -0.008 17742 12507 1 19 . 1 1 8 8 TRP H H 338 7.595 7.595 7.619 -0.024 17742 12508 1 19 . 1 1 9 9 ASP HA H 339 3.648 3.648 4.668 -1.020 17742 12509 1 19 . 1 1 9 9 ASP C C 339 177.491 177.491 177.856 -0.365 17742 12510 1 19 . 1 1 9 9 ASP CA C 339 56.197 56.197 56.940 -0.743 17742 12511 1 19 . 1 1 9 9 ASP CB C 339 41.702 41.702 40.803 0.899 17742 12512 1 19 . 1 1 10 10 TYR N N 340 120.786 120.786 121.531 -0.745 17742 12513 1 19 . 1 1 10 10 TYR HA H 340 3.851 3.851 4.170 -0.319 17742 12514 1 19 . 1 1 10 10 TYR C C 340 177.016 177.016 177.772 -0.756 17742 12515 1 19 . 1 1 10 10 TYR CA C 340 61.921 61.921 61.572 0.350 17742 12516 1 19 . 1 1 10 10 TYR CB C 340 39.202 39.202 38.773 0.429 17742 12517 1 19 . 1 1 10 10 TYR H H 340 7.929 7.929 7.879 0.050 17742 12518 1 19 . 1 1 11 11 VAL N N 341 114.828 114.828 118.913 -4.085 17742 12519 1 19 . 1 1 11 11 VAL HA H 341 2.982 2.982 3.672 -0.690 17742 12520 1 19 . 1 1 11 11 VAL C C 341 176.795 176.795 177.381 -0.586 17742 12521 1 19 . 1 1 11 11 VAL CA C 341 66.855 66.855 65.639 1.216 17742 12522 1 19 . 1 1 11 11 VAL CB C 341 31.152 31.152 31.549 -0.397 17742 12523 1 19 . 1 1 11 11 VAL H H 341 8.291 8.291 8.704 -0.413 17742 12524 1 19 . 1 1 12 12 TYR N N 342 119.177 119.177 120.465 -1.288 17742 12525 1 19 . 1 1 12 12 TYR HA H 342 3.617 3.617 3.891 -0.274 17742 12526 1 19 . 1 1 12 12 TYR C C 342 178.765 178.765 177.747 1.018 17742 12527 1 19 . 1 1 12 12 TYR CA C 342 62.960 62.960 61.430 1.530 17742 12528 1 19 . 1 1 12 12 TYR CB C 342 38.232 38.232 38.168 0.064 17742 12529 1 19 . 1 1 12 12 TYR H H 342 7.712 7.712 7.866 -0.154 17742 12530 1 19 . 1 1 13 13 GLN N N 343 118.873 118.873 119.018 -0.145 17742 12531 1 19 . 1 1 13 13 GLN HA H 343 3.833 3.833 4.045 -0.212 17742 12532 1 19 . 1 1 13 13 GLN C C 343 179.917 179.917 178.048 1.869 17742 12533 1 19 . 1 1 13 13 GLN CA C 343 58.821 58.821 57.832 0.989 17742 12534 1 19 . 1 1 13 13 GLN CB C 343 27.649 27.649 28.116 -0.467 17742 12535 1 19 . 1 1 13 13 GLN H H 343 8.076 8.076 8.001 0.075 17742 12536 1 19 . 1 1 14 14 LEU N N 344 121.381 121.381 118.966 2.415 17742 12537 1 19 . 1 1 14 14 LEU HA H 344 3.611 3.611 4.041 -0.430 17742 12538 1 19 . 1 1 14 14 LEU C C 344 179.861 179.861 178.575 1.286 17742 12539 1 19 . 1 1 14 14 LEU CA C 344 58.121 58.121 57.139 0.982 17742 12540 1 19 . 1 1 14 14 LEU CB C 344 41.382 41.382 41.526 -0.144 17742 12541 1 19 . 1 1 14 14 LEU H H 344 7.772 7.772 7.488 0.284 17742 12542 1 19 . 1 1 15 15 LEU N N 345 116.801 116.801 116.560 0.241 17742 12543 1 19 . 1 1 15 15 LEU HA H 345 3.513 3.513 3.983 -0.470 17742 12544 1 19 . 1 1 15 15 LEU C C 345 178.221 178.221 177.733 0.488 17742 12545 1 19 . 1 1 15 15 LEU CA C 345 56.568 56.568 56.672 -0.104 17742 12546 1 19 . 1 1 15 15 LEU CB C 345 41.431 41.431 41.348 0.083 17742 12547 1 19 . 1 1 15 15 LEU H H 345 7.546 7.546 7.504 0.042 17742 12548 1 19 . 1 1 16 16 SER N N 346 112.511 112.511 112.070 0.441 17742 12549 1 19 . 1 1 16 16 SER HA H 346 4.542 4.542 4.497 0.045 17742 12550 1 19 . 1 1 16 16 SER C C 346 172.510 172.510 175.091 -2.581 17742 12551 1 19 . 1 1 16 16 SER CA C 346 58.891 58.891 59.022 -0.131 17742 12552 1 19 . 1 1 16 16 SER CB C 346 63.993 63.993 63.994 -0.001 17742 12553 1 19 . 1 1 16 16 SER H H 346 7.277 7.277 7.471 -0.194 17742 12554 1 19 . 1 1 17 17 ASP N N 347 122.234 122.234 122.739 -0.505 17742 12555 1 19 . 1 1 17 17 ASP HA H 347 4.969 4.969 4.843 0.126 17742 12556 1 19 . 1 1 17 17 ASP C C 347 175.703 175.703 175.953 -0.250 17742 12557 1 19 . 1 1 17 17 ASP CA C 347 52.761 52.761 54.688 -1.927 17742 12558 1 19 . 1 1 17 17 ASP CB C 347 43.427 43.427 42.653 0.774 17742 12559 1 19 . 1 1 17 17 ASP H H 347 7.353 7.353 7.593 -0.240 17742 12560 1 19 . 1 1 18 18 SER N N 348 120.139 120.139 116.741 3.398 17742 12561 1 19 . 1 1 18 18 SER HA H 348 4.371 4.371 4.349 0.022 17742 12562 1 19 . 1 1 18 18 SER C C 348 176.259 176.259 176.238 0.021 17742 12563 1 19 . 1 1 18 18 SER CA C 348 61.131 61.131 60.174 0.957 17742 12564 1 19 . 1 1 18 18 SER CB C 348 63.177 63.177 64.030 -0.853 17742 12565 1 19 . 1 1 18 18 SER H H 348 8.691 8.691 8.727 -0.036 17742 12566 1 19 . 1 1 19 19 ARG N N 349 122.716 122.716 123.753 -1.037 17742 12567 1 19 . 1 1 19 19 ARG HA H 349 4.114 4.114 3.886 0.228 17742 12568 1 19 . 1 1 19 19 ARG C C 349 178.154 178.154 178.238 -0.084 17742 12569 1 19 . 1 1 19 19 ARG CA C 349 58.531 58.531 58.113 0.418 17742 12570 1 19 . 1 1 19 19 ARG CB C 349 29.794 29.794 28.595 1.199 17742 12571 1 19 . 1 1 19 19 ARG H H 349 8.586 8.586 8.473 0.113 17742 12572 1 19 . 1 1 20 20 TYR N N 350 116.201 116.201 118.410 -2.209 17742 12573 1 19 . 1 1 20 20 TYR HA H 350 4.883 4.883 4.594 0.289 17742 12574 1 19 . 1 1 20 20 TYR C C 350 177.029 177.029 176.410 0.619 17742 12575 1 19 . 1 1 20 20 TYR CA C 350 58.741 58.741 55.928 2.813 17742 12576 1 19 . 1 1 20 20 TYR CB C 350 37.642 37.642 35.818 1.824 17742 12577 1 19 . 1 1 20 20 TYR H H 350 8.291 8.291 7.716 0.575 17742 12578 1 19 . 1 1 21 21 GLU N N 351 120.803 120.803 121.842 -1.039 17742 12579 1 19 . 1 1 21 21 GLU HA H 351 4.466 4.466 4.200 0.266 17742 12580 1 19 . 1 1 21 21 GLU C C 351 176.324 176.324 178.020 -1.696 17742 12581 1 19 . 1 1 21 21 GLU CA C 351 59.132 59.132 59.174 -0.042 17742 12582 1 19 . 1 1 21 21 GLU CB C 351 29.864 29.864 28.906 0.958 17742 12583 1 19 . 1 1 21 21 GLU H H 351 7.513 7.513 8.331 -0.818 17742 12584 1 19 . 1 1 22 22 ASN N N 352 114.531 114.531 116.177 -1.646 17742 12585 1 19 . 1 1 22 22 ASN HA H 352 4.492 4.492 4.600 -0.108 17742 12586 1 19 . 1 1 22 22 ASN C C 352 174.497 174.497 175.841 -1.344 17742 12587 1 19 . 1 1 22 22 ASN CA C 352 54.122 54.122 54.047 0.075 17742 12588 1 19 . 1 1 22 22 ASN CB C 352 36.935 36.935 38.752 -1.817 17742 12589 1 19 . 1 1 22 22 ASN H H 352 8.649 8.649 8.294 0.355 17742 12590 1 19 . 1 1 23 23 PHE N N 353 115.501 115.501 116.630 -1.129 17742 12591 1 19 . 1 1 23 23 PHE HA H 353 4.751 4.751 4.702 0.049 17742 12592 1 19 . 1 1 23 23 PHE C C 353 176.442 176.442 175.071 1.371 17742 12593 1 19 . 1 1 23 23 PHE CB C 353 41.502 41.502 41.841 -0.339 17742 12594 1 19 . 1 1 23 23 PHE H H 353 8.555 8.555 8.181 0.374 17742 12595 1 19 . 1 1 24 24 ILE N N 354 120.734 120.734 118.073 2.661 17742 12596 1 19 . 1 1 24 24 ILE HA H 354 5.059 5.059 4.975 0.084 17742 12597 1 19 . 1 1 24 24 ILE C C 354 179.332 179.332 173.071 6.261 17742 12598 1 19 . 1 1 24 24 ILE CA C 354 59.831 59.831 60.421 -0.590 17742 12599 1 19 . 1 1 24 24 ILE CB C 354 40.623 40.623 41.885 -1.262 17742 12600 1 19 . 1 1 24 24 ILE H H 354 8.428 8.428 8.769 -0.341 17742 12601 1 19 . 1 1 25 25 ARG N N 355 121.187 121.187 123.207 -2.020 17742 12602 1 19 . 1 1 25 25 ARG HA H 355 4.904 4.904 4.877 0.027 17742 12603 1 19 . 1 1 25 25 ARG C C 355 175.152 175.152 174.272 0.880 17742 12604 1 19 . 1 1 25 25 ARG CA C 355 54.529 54.529 54.591 -0.062 17742 12605 1 19 . 1 1 25 25 ARG CB C 355 33.599 33.599 33.549 0.050 17742 12606 1 19 . 1 1 25 25 ARG H H 355 8.671 8.671 8.976 -0.305 17742 12607 1 19 . 1 1 26 26 TRP N N 356 122.024 122.024 122.380 -0.356 17742 12608 1 19 . 1 1 26 26 TRP HA H 356 4.884 4.884 4.681 0.203 17742 12609 1 19 . 1 1 26 26 TRP C C 356 176.642 176.642 176.612 0.030 17742 12610 1 19 . 1 1 26 26 TRP CA C 356 57.960 57.960 58.209 -0.249 17742 12611 1 19 . 1 1 26 26 TRP CB C 356 30.634 30.634 29.827 0.807 17742 12612 1 19 . 1 1 26 26 TRP H H 356 9.159 9.159 8.942 0.217 17742 12613 1 19 . 1 1 27 27 GLU N N 357 125.331 125.331 122.667 2.664 17742 12614 1 19 . 1 1 27 27 GLU HA H 357 4.681 4.681 4.563 0.118 17742 12615 1 19 . 1 1 27 27 GLU C C 357 176.775 176.775 176.926 -0.151 17742 12616 1 19 . 1 1 27 27 GLU CA C 357 56.990 56.990 57.743 -0.753 17742 12617 1 19 . 1 1 27 27 GLU CB C 357 31.579 31.579 31.293 0.286 17742 12618 1 19 . 1 1 27 27 GLU H H 357 9.504 9.504 8.921 0.583 17742 12619 1 19 . 1 1 28 28 ASP N N 358 116.213 116.213 121.819 -5.606 17742 12620 1 19 . 1 1 28 28 ASP HA H 358 4.771 4.771 5.033 -0.262 17742 12621 1 19 . 1 1 28 28 ASP C C 358 176.167 176.167 175.549 0.618 17742 12622 1 19 . 1 1 28 28 ASP CA C 358 53.541 53.541 53.632 -0.091 17742 12623 1 19 . 1 1 28 28 ASP CB C 358 41.932 41.932 41.384 0.548 17742 12624 1 19 . 1 1 28 28 ASP H H 358 7.846 7.846 8.509 -0.663 17742 12625 1 19 . 1 1 29 29 LYS N N 359 127.762 127.762 123.710 4.052 17742 12626 1 19 . 1 1 29 29 LYS HA H 359 3.157 3.157 3.219 -0.062 17742 12627 1 19 . 1 1 29 29 LYS C C 359 178.776 178.776 177.504 1.272 17742 12628 1 19 . 1 1 29 29 LYS CA C 359 60.229 60.229 59.558 0.671 17742 12629 1 19 . 1 1 29 29 LYS CB C 359 32.734 32.734 32.060 0.674 17742 12630 1 19 . 1 1 29 29 LYS H H 359 9.216 9.216 8.528 0.688 17742 12631 1 19 . 1 1 30 30 GLU N N 360 119.601 119.601 118.064 1.537 17742 12632 1 19 . 1 1 30 30 GLU HA H 360 3.925 3.925 4.001 -0.076 17742 12633 1 19 . 1 1 30 30 GLU C C 360 178.684 178.684 176.729 1.955 17742 12634 1 19 . 1 1 30 30 GLU CA C 360 59.570 59.570 58.637 0.933 17742 12635 1 19 . 1 1 30 30 GLU CB C 360 29.177 29.177 29.107 0.070 17742 12636 1 19 . 1 1 30 30 GLU H H 360 8.340 8.340 8.602 -0.262 17742 12637 1 19 . 1 1 31 31 SER N N 361 113.301 113.301 113.200 0.101 17742 12638 1 19 . 1 1 31 31 SER HA H 361 4.494 4.494 4.480 0.014 17742 12639 1 19 . 1 1 31 31 SER C C 361 172.357 172.357 174.177 -1.820 17742 12640 1 19 . 1 1 31 31 SER CA C 361 58.807 58.807 59.318 -0.511 17742 12641 1 19 . 1 1 31 31 SER CB C 361 63.768 63.768 63.525 0.243 17742 12642 1 19 . 1 1 31 31 SER H H 361 7.463 7.463 8.056 -0.594 17742 12643 1 19 . 1 1 32 32 LYS N N 362 115.170 115.170 114.149 1.021 17742 12644 1 19 . 1 1 32 32 LYS HA H 362 3.910 3.910 4.349 -0.439 17742 12645 1 19 . 1 1 32 32 LYS C C 362 175.500 175.500 175.169 0.331 17742 12646 1 19 . 1 1 32 32 LYS CA C 362 57.630 57.630 56.891 0.739 17742 12647 1 19 . 1 1 32 32 LYS CB C 362 29.801 29.801 30.010 -0.209 17742 12648 1 19 . 1 1 32 32 LYS H H 362 7.752 7.752 7.842 -0.090 17742 12649 1 19 . 1 1 33 33 ILE N N 363 118.274 118.274 120.948 -2.674 17742 12650 1 19 . 1 1 33 33 ILE HA H 363 5.375 5.375 4.994 0.381 17742 12651 1 19 . 1 1 33 33 ILE C C 363 177.068 177.068 175.713 1.355 17742 12652 1 19 . 1 1 33 33 ILE CA C 363 60.428 60.428 60.234 0.194 17742 12653 1 19 . 1 1 33 33 ILE CB C 363 40.206 40.206 37.857 2.349 17742 12654 1 19 . 1 1 33 33 ILE H H 363 8.262 8.262 8.159 0.103 17742 12655 1 19 . 1 1 34 34 PHE N N 364 128.285 128.285 126.658 1.627 17742 12656 1 19 . 1 1 34 34 PHE HA H 364 5.566 5.566 5.201 0.365 17742 12657 1 19 . 1 1 34 34 PHE C C 364 179.560 179.560 172.990 6.570 17742 12658 1 19 . 1 1 34 34 PHE CA C 364 55.080 55.080 55.206 -0.126 17742 12659 1 19 . 1 1 34 34 PHE CB C 364 44.097 44.097 42.670 1.427 17742 12660 1 19 . 1 1 34 34 PHE H H 364 9.936 9.936 9.095 0.841 17742 12661 1 19 . 1 1 35 35 ARG N N 365 120.953 120.953 122.716 -1.763 17742 12662 1 19 . 1 1 35 35 ARG HA H 365 5.484 5.484 4.527 0.957 17742 12663 1 19 . 1 1 35 35 ARG C C 365 176.522 176.522 174.388 2.134 17742 12664 1 19 . 1 1 35 35 ARG CA C 365 53.584 53.584 53.553 0.031 17742 12665 1 19 . 1 1 35 35 ARG CB C 365 36.439 36.439 33.824 2.615 17742 12666 1 19 . 1 1 35 35 ARG H H 365 9.430 9.430 9.086 0.344 17742 12667 1 19 . 1 1 36 36 ILE N N 366 125.455 125.455 127.724 -2.269 17742 12668 1 19 . 1 1 36 36 ILE HA H 366 4.201 4.201 4.005 0.196 17742 12669 1 19 . 1 1 36 36 ILE C C 366 173.923 173.923 174.751 -0.828 17742 12670 1 19 . 1 1 36 36 ILE CA C 366 63.110 63.110 62.275 0.835 17742 12671 1 19 . 1 1 36 36 ILE CB C 366 37.964 37.964 37.411 0.553 17742 12672 1 19 . 1 1 36 36 ILE H H 366 8.639 8.639 7.750 0.889 17742 12673 1 19 . 1 1 37 37 VAL N N 367 129.251 129.251 127.444 1.807 17742 12674 1 19 . 1 1 37 37 VAL HA H 367 3.674 3.674 3.930 -0.256 17742 12675 1 19 . 1 1 37 37 VAL C C 367 175.948 175.948 176.117 -0.169 17742 12676 1 19 . 1 1 37 37 VAL CA C 367 64.171 64.171 64.094 0.077 17742 12677 1 19 . 1 1 37 37 VAL CB C 367 32.870 32.870 32.579 0.291 17742 12678 1 19 . 1 1 37 37 VAL H H 367 7.839 7.839 8.293 -0.454 17742 12679 1 19 . 1 1 38 38 ASP N N 368 114.991 114.991 120.842 -5.851 17742 12680 1 19 . 1 1 38 38 ASP HA H 368 5.213 5.213 5.035 0.178 17742 12681 1 19 . 1 1 38 38 ASP CA C 368 50.242 50.242 50.680 -0.438 17742 12682 1 19 . 1 1 38 38 ASP CB C 368 42.169 42.169 42.592 -0.423 17742 12683 1 19 . 1 1 38 38 ASP H H 368 7.279 7.279 8.109 -0.830 17742 12684 1 19 . 1 1 39 39 PRO HA H 369 3.794 3.794 4.341 -0.547 17742 12685 1 19 . 1 1 39 39 PRO C C 369 178.037 178.037 178.131 -0.094 17742 12686 1 19 . 1 1 39 39 PRO CA C 369 65.619 65.619 65.734 -0.115 17742 12687 1 19 . 1 1 39 39 PRO CB C 369 31.057 31.057 31.656 -0.599 17742 12688 1 19 . 1 1 40 40 ASN N N 370 115.439 115.439 117.272 -1.833 17742 12689 1 19 . 1 1 40 40 ASN HA H 370 4.596 4.596 4.558 0.038 17742 12690 1 19 . 1 1 40 40 ASN C C 370 178.570 178.570 177.628 0.942 17742 12691 1 19 . 1 1 40 40 ASN CA C 370 56.501 56.501 56.107 0.394 17742 12692 1 19 . 1 1 40 40 ASN CB C 370 38.012 38.012 38.022 -0.010 17742 12693 1 19 . 1 1 40 40 ASN H H 370 8.121 8.121 8.370 -0.249 17742 12694 1 19 . 1 1 41 41 GLY N N 371 111.317 111.317 108.947 2.370 17742 12695 1 19 . 1 1 41 41 GLY C C 371 176.090 176.090 176.736 -0.646 17742 12696 1 19 . 1 1 41 41 GLY CA C 371 47.932 47.932 46.995 0.937 17742 12697 1 19 . 1 1 41 41 GLY H H 371 8.622 8.622 8.956 -0.334 17742 12698 1 19 . 1 1 42 42 LEU N N 372 122.892 122.892 123.590 -0.698 17742 12699 1 19 . 1 1 42 42 LEU HA H 372 4.031 4.031 4.290 -0.259 17742 12700 1 19 . 1 1 42 42 LEU C C 372 177.766 177.766 178.950 -1.184 17742 12701 1 19 . 1 1 42 42 LEU CA C 372 57.830 57.830 57.747 0.083 17742 12702 1 19 . 1 1 42 42 LEU CB C 372 42.132 42.132 41.295 0.837 17742 12703 1 19 . 1 1 42 42 LEU H H 372 8.881 8.881 8.595 0.286 17742 12704 1 19 . 1 1 43 43 ALA N N 373 120.112 120.112 121.832 -1.720 17742 12705 1 19 . 1 1 43 43 ALA HA H 373 4.458 4.458 4.129 0.329 17742 12706 1 19 . 1 1 43 43 ALA C C 373 179.093 179.093 179.879 -0.786 17742 12707 1 19 . 1 1 43 43 ALA CA C 373 55.451 55.451 55.156 0.295 17742 12708 1 19 . 1 1 43 43 ALA CB C 373 18.324 18.324 18.478 -0.154 17742 12709 1 19 . 1 1 43 43 ALA H H 373 8.072 8.072 8.673 -0.601 17742 12710 1 19 . 1 1 44 44 ARG N N 374 117.916 117.916 118.956 -1.040 17742 12711 1 19 . 1 1 44 44 ARG HA H 374 4.093 4.093 4.191 -0.098 17742 12712 1 19 . 1 1 44 44 ARG C C 374 179.473 179.473 179.455 0.018 17742 12713 1 19 . 1 1 44 44 ARG CA C 374 59.372 59.372 58.582 0.790 17742 12714 1 19 . 1 1 44 44 ARG CB C 374 30.114 30.114 29.685 0.429 17742 12715 1 19 . 1 1 44 44 ARG H H 374 7.769 7.769 8.180 -0.410 17742 12716 1 19 . 1 1 45 45 LEU N N 375 121.489 121.489 119.862 1.627 17742 12717 1 19 . 1 1 45 45 LEU HA H 375 4.007 4.007 4.105 -0.098 17742 12718 1 19 . 1 1 45 45 LEU C C 375 180.049 180.049 179.394 0.655 17742 12719 1 19 . 1 1 45 45 LEU CA C 375 58.390 58.390 58.170 0.220 17742 12720 1 19 . 1 1 45 45 LEU CB C 375 41.552 41.552 41.629 -0.077 17742 12721 1 19 . 1 1 45 45 LEU H H 375 7.903 7.903 8.366 -0.463 17742 12722 1 19 . 1 1 46 46 TRP N N 376 121.466 121.466 121.351 0.115 17742 12723 1 19 . 1 1 46 46 TRP HA H 376 4.089 4.089 3.776 0.312 17742 12724 1 19 . 1 1 46 46 TRP C C 376 177.939 177.939 178.619 -0.680 17742 12725 1 19 . 1 1 46 46 TRP CA C 376 60.022 60.022 60.810 -0.788 17742 12726 1 19 . 1 1 46 46 TRP CB C 376 28.817 28.817 29.143 -0.326 17742 12727 1 19 . 1 1 46 46 TRP H H 376 8.633 8.633 8.275 0.358 17742 12728 1 19 . 1 1 47 47 GLY N N 377 105.142 105.142 106.341 -1.199 17742 12729 1 19 . 1 1 47 47 GLY C C 377 176.128 176.128 175.831 0.297 17742 12730 1 19 . 1 1 47 47 GLY CA C 377 48.035 48.035 47.185 0.850 17742 12731 1 19 . 1 1 47 47 GLY H H 377 8.828 8.828 9.060 -0.232 17742 12732 1 19 . 1 1 48 48 ASN N N 378 120.327 120.327 121.370 -1.043 17742 12733 1 19 . 1 1 48 48 ASN HA H 378 4.402 4.402 4.375 0.027 17742 12734 1 19 . 1 1 48 48 ASN C C 378 178.625 178.625 177.877 0.748 17742 12735 1 19 . 1 1 48 48 ASN CA C 378 56.231 56.231 55.838 0.393 17742 12736 1 19 . 1 1 48 48 ASN CB C 378 38.132 38.132 38.327 -0.195 17742 12737 1 19 . 1 1 48 48 ASN H H 378 8.212 8.212 8.246 -0.034 17742 12738 1 19 . 1 1 49 49 HIS N N 379 121.871 121.871 119.250 2.621 17742 12739 1 19 . 1 1 49 49 HIS HA H 379 4.205 4.205 4.165 0.040 17742 12740 1 19 . 1 1 49 49 HIS C C 379 176.086 176.086 175.999 0.087 17742 12741 1 19 . 1 1 49 49 HIS CA C 379 59.390 59.390 59.272 0.118 17742 12742 1 19 . 1 1 49 49 HIS CB C 379 29.564 29.564 29.575 -0.011 17742 12743 1 19 . 1 1 49 49 HIS H H 379 8.094 8.094 7.653 0.441 17742 12744 1 19 . 1 1 50 50 LYS N N 380 115.181 115.181 115.462 -0.281 17742 12745 1 19 . 1 1 50 50 LYS HA H 380 3.911 3.911 4.140 -0.229 17742 12746 1 19 . 1 1 50 50 LYS C C 380 175.348 175.348 175.376 -0.028 17742 12747 1 19 . 1 1 50 50 LYS CA C 380 53.632 53.632 55.077 -1.444 17742 12748 1 19 . 1 1 50 50 LYS CB C 380 30.742 30.742 31.825 -1.083 17742 12749 1 19 . 1 1 50 50 LYS H H 380 7.482 7.482 7.351 0.131 17742 12750 1 19 . 1 1 51 51 ASN N N 381 116.362 116.362 116.757 -0.395 17742 12751 1 19 . 1 1 51 51 ASN HA H 381 4.259 4.259 4.275 -0.016 17742 12752 1 19 . 1 1 51 51 ASN C C 381 174.400 174.400 174.302 0.098 17742 12753 1 19 . 1 1 51 51 ASN CA C 381 54.312 54.312 54.066 0.246 17742 12754 1 19 . 1 1 51 51 ASN CB C 381 37.272 37.272 37.323 -0.051 17742 12755 1 19 . 1 1 51 51 ASN H H 381 7.753 7.753 7.895 -0.142 17742 12756 1 19 . 1 1 52 52 ARG N N 382 117.723 117.723 117.817 -0.094 17742 12757 1 19 . 1 1 52 52 ARG HA H 382 4.658 4.658 4.590 0.068 17742 12758 1 19 . 1 1 52 52 ARG C C 382 176.209 176.209 176.389 -0.180 17742 12759 1 19 . 1 1 52 52 ARG CA C 382 53.668 53.668 54.235 -0.567 17742 12760 1 19 . 1 1 52 52 ARG CB C 382 32.212 32.212 31.016 1.196 17742 12761 1 19 . 1 1 52 52 ARG H H 382 8.476 8.476 8.162 0.313 17742 12762 1 19 . 1 1 53 53 THR N N 383 114.109 114.109 116.476 -2.367 17742 12763 1 19 . 1 1 53 53 THR HA H 383 4.221 4.221 4.271 -0.050 17742 12764 1 19 . 1 1 53 53 THR C C 383 174.644 174.644 175.664 -1.020 17742 12765 1 19 . 1 1 53 53 THR CA C 383 62.187 62.187 63.500 -1.313 17742 12766 1 19 . 1 1 53 53 THR CB C 383 69.710 69.710 68.992 0.718 17742 12767 1 19 . 1 1 53 53 THR H H 383 8.333 8.333 8.526 -0.193 17742 12768 1 19 . 1 1 54 54 ASN N N 384 118.768 118.768 122.063 -3.295 17742 12769 1 19 . 1 1 54 54 ASN HA H 384 4.609 4.609 4.787 -0.178 17742 12770 1 19 . 1 1 54 54 ASN C C 384 174.975 174.975 174.010 0.965 17742 12771 1 19 . 1 1 54 54 ASN CA C 384 53.193 53.193 53.475 -0.282 17742 12772 1 19 . 1 1 54 54 ASN CB C 384 37.632 37.632 37.258 0.374 17742 12773 1 19 . 1 1 54 54 ASN H H 384 8.521 8.521 8.558 -0.037 17742 12774 1 19 . 1 1 55 55 MET N N 385 119.621 119.621 119.725 -0.104 17742 12775 1 19 . 1 1 55 55 MET HA H 385 4.566 4.566 4.717 -0.151 17742 12776 1 19 . 1 1 55 55 MET C C 385 175.078 175.078 174.904 0.174 17742 12777 1 19 . 1 1 55 55 MET CA C 385 55.298 55.298 55.186 0.112 17742 12778 1 19 . 1 1 55 55 MET CB C 385 31.244 31.244 34.094 -2.850 17742 12779 1 19 . 1 1 55 55 MET H H 385 8.162 8.162 7.906 0.256 17742 12780 1 19 . 1 1 56 56 THR N N 386 113.114 113.114 115.389 -2.275 17742 12781 1 19 . 1 1 56 56 THR HA H 386 4.824 4.824 4.595 0.229 17742 12782 1 19 . 1 1 56 56 THR C C 386 175.549 175.549 174.253 1.296 17742 12783 1 19 . 1 1 56 56 THR CA C 386 59.060 59.060 61.123 -2.063 17742 12784 1 19 . 1 1 56 56 THR CB C 386 72.290 72.290 71.658 0.632 17742 12785 1 19 . 1 1 56 56 THR H H 386 7.031 7.031 7.741 -0.710 17742 12786 1 19 . 1 1 57 57 TYR N N 387 123.401 123.401 124.599 -1.198 17742 12787 1 19 . 1 1 57 57 TYR HA H 387 4.134 4.134 4.132 0.002 17742 12788 1 19 . 1 1 57 57 TYR C C 387 177.304 177.304 176.784 0.520 17742 12789 1 19 . 1 1 57 57 TYR CA C 387 62.300 62.300 62.868 -0.569 17742 12790 1 19 . 1 1 57 57 TYR CB C 387 37.359 37.359 38.599 -1.240 17742 12791 1 19 . 1 1 57 57 TYR H H 387 9.691 9.691 9.018 0.673 17742 12792 1 19 . 1 1 58 58 GLU N N 388 120.999 120.999 116.734 4.265 17742 12793 1 19 . 1 1 58 58 GLU HA H 388 3.823 3.823 4.074 -0.251 17742 12794 1 19 . 1 1 58 58 GLU C C 388 179.213 179.213 177.650 1.563 17742 12795 1 19 . 1 1 58 58 GLU CA C 388 60.477 60.477 59.267 1.210 17742 12796 1 19 . 1 1 58 58 GLU CB C 388 28.895 28.895 28.752 0.143 17742 12797 1 19 . 1 1 58 58 GLU H H 388 8.838 8.838 9.035 -0.197 17742 12798 1 19 . 1 1 59 59 LYS N N 389 118.962 118.962 117.924 1.038 17742 12799 1 19 . 1 1 59 59 LYS HA H 389 3.939 3.939 4.224 -0.285 17742 12800 1 19 . 1 1 59 59 LYS C C 389 178.797 178.797 178.757 0.040 17742 12801 1 19 . 1 1 59 59 LYS CA C 389 60.065 60.065 58.209 1.856 17742 12802 1 19 . 1 1 59 59 LYS CB C 389 33.378 33.378 32.684 0.694 17742 12803 1 19 . 1 1 59 59 LYS H H 389 7.506 7.506 7.511 -0.005 17742 12804 1 19 . 1 1 60 60 MET N N 390 120.087 120.087 120.280 -0.193 17742 12805 1 19 . 1 1 60 60 MET HA H 390 3.869 3.869 4.019 -0.150 17742 12806 1 19 . 1 1 60 60 MET C C 390 178.146 178.146 177.028 1.118 17742 12807 1 19 . 1 1 60 60 MET CA C 390 59.776 59.776 58.325 1.450 17742 12808 1 19 . 1 1 60 60 MET CB C 390 33.462 33.462 32.571 0.891 17742 12809 1 19 . 1 1 60 60 MET H H 390 8.051 8.051 7.920 0.131 17742 12810 1 19 . 1 1 61 61 SER N N 391 114.537 114.537 114.825 -0.288 17742 12811 1 19 . 1 1 61 61 SER HA H 391 3.786 3.786 3.842 -0.056 17742 12812 1 19 . 1 1 61 61 SER C C 391 176.380 176.380 176.336 0.044 17742 12813 1 19 . 1 1 61 61 SER CA C 391 61.600 61.600 60.600 1.000 17742 12814 1 19 . 1 1 61 61 SER CB C 391 62.251 62.251 62.870 -0.619 17742 12815 1 19 . 1 1 61 61 SER H H 391 8.853 8.853 8.533 0.320 17742 12816 1 19 . 1 1 62 62 ARG N N 392 122.214 122.214 121.442 0.772 17742 12817 1 19 . 1 1 62 62 ARG HA H 392 3.928 3.928 4.009 -0.081 17742 12818 1 19 . 1 1 62 62 ARG C C 392 178.732 178.732 178.165 0.567 17742 12819 1 19 . 1 1 62 62 ARG CA C 392 59.490 59.490 58.681 0.809 17742 12820 1 19 . 1 1 62 62 ARG CB C 392 30.207 30.207 29.462 0.745 17742 12821 1 19 . 1 1 62 62 ARG H H 392 7.471 7.471 7.795 -0.324 17742 12822 1 19 . 1 1 63 63 ALA N N 393 121.091 121.091 121.465 -0.374 17742 12823 1 19 . 1 1 63 63 ALA HA H 393 4.162 4.162 4.238 -0.076 17742 12824 1 19 . 1 1 63 63 ALA C C 393 179.699 179.699 179.621 0.078 17742 12825 1 19 . 1 1 63 63 ALA CA C 393 54.722 54.722 54.395 0.327 17742 12826 1 19 . 1 1 63 63 ALA CB C 393 18.154 18.154 18.286 -0.132 17742 12827 1 19 . 1 1 63 63 ALA H H 393 7.376 7.376 7.257 0.119 17742 12828 1 19 . 1 1 64 64 LEU N N 394 117.568 117.568 118.669 -1.101 17742 12829 1 19 . 1 1 64 64 LEU HA H 394 3.777 3.777 3.030 0.747 17742 12830 1 19 . 1 1 64 64 LEU C C 394 178.085 178.085 178.248 -0.163 17742 12831 1 19 . 1 1 64 64 LEU CA C 394 58.075 58.075 56.603 1.472 17742 12832 1 19 . 1 1 64 64 LEU CB C 394 41.052 41.052 41.157 -0.105 17742 12833 1 19 . 1 1 64 64 LEU H H 394 7.853 7.853 7.053 0.800 17742 12834 1 19 . 1 1 65 65 ARG N N 395 116.111 116.111 117.883 -1.772 17742 12835 1 19 . 1 1 65 65 ARG HA H 395 3.529 3.529 3.564 -0.035 17742 12836 1 19 . 1 1 65 65 ARG C C 395 179.519 179.519 178.392 1.127 17742 12837 1 19 . 1 1 65 65 ARG CA C 395 59.133 59.133 58.405 0.728 17742 12838 1 19 . 1 1 65 65 ARG CB C 395 30.004 30.004 29.409 0.595 17742 12839 1 19 . 1 1 65 65 ARG H H 395 7.521 7.521 7.878 -0.357 17742 12840 1 19 . 1 1 66 66 HIS N N 396 118.081 118.081 116.711 1.370 17742 12841 1 19 . 1 1 66 66 HIS HA H 396 4.436 4.436 4.458 -0.022 17742 12842 1 19 . 1 1 66 66 HIS C C 396 177.826 177.826 177.663 0.163 17742 12843 1 19 . 1 1 66 66 HIS CA C 396 59.063 59.063 59.315 -0.252 17742 12844 1 19 . 1 1 66 66 HIS CB C 396 30.154 30.154 30.140 0.014 17742 12845 1 19 . 1 1 66 66 HIS H H 396 7.241 7.241 7.539 -0.298 17742 12846 1 19 . 1 1 67 67 TYR N N 397 116.301 116.301 118.368 -2.067 17742 12847 1 19 . 1 1 67 67 TYR HA H 397 4.128 4.128 4.319 -0.191 17742 12848 1 19 . 1 1 67 67 TYR C C 397 179.075 179.075 177.511 1.564 17742 12849 1 19 . 1 1 67 67 TYR CA C 397 61.525 61.525 58.711 2.814 17742 12850 1 19 . 1 1 67 67 TYR CB C 397 37.522 37.522 36.659 0.863 17742 12851 1 19 . 1 1 67 67 TYR H H 397 7.532 7.532 7.839 -0.307 17742 12852 1 19 . 1 1 68 68 TYR N N 398 121.389 121.389 118.183 3.206 17742 12853 1 19 . 1 1 68 68 TYR HA H 398 5.474 5.474 4.686 0.788 17742 12854 1 19 . 1 1 68 68 TYR C C 398 172.285 172.285 178.089 -5.804 17742 12855 1 19 . 1 1 68 68 TYR CA C 398 57.651 57.651 59.311 -1.660 17742 12856 1 19 . 1 1 68 68 TYR CB C 398 37.055 37.055 37.536 -0.481 17742 12857 1 19 . 1 1 68 68 TYR H H 398 8.061 8.061 7.149 0.912 17742 12858 1 19 . 1 1 69 69 LYS N N 399 121.098 121.098 118.803 2.295 17742 12859 1 19 . 1 1 69 69 LYS HA H 399 4.125 4.125 4.167 -0.042 17742 12860 1 19 . 1 1 69 69 LYS C C 399 178.122 178.122 178.057 0.065 17742 12861 1 19 . 1 1 69 69 LYS CA C 399 58.801 58.801 58.142 0.659 17742 12862 1 19 . 1 1 69 69 LYS CB C 399 32.242 32.242 32.112 0.130 17742 12863 1 19 . 1 1 69 69 LYS H H 399 7.799 7.799 7.702 0.097 17742 12864 1 19 . 1 1 70 70 LEU N N 400 116.117 116.117 116.938 -0.821 17742 12865 1 19 . 1 1 70 70 LEU HA H 400 4.312 4.312 4.306 0.006 17742 12866 1 19 . 1 1 70 70 LEU C C 400 175.903 175.903 176.262 -0.359 17742 12867 1 19 . 1 1 70 70 LEU CA C 400 54.642 54.642 55.204 -0.562 17742 12868 1 19 . 1 1 70 70 LEU CB C 400 42.796 42.796 41.723 1.073 17742 12869 1 19 . 1 1 70 70 LEU H H 400 7.257 7.257 7.816 -0.559 17742 12870 1 19 . 1 1 71 71 ASN N N 401 115.181 115.181 112.227 2.954 17742 12871 1 19 . 1 1 71 71 ASN HA H 401 4.368 4.368 4.459 -0.091 17742 12872 1 19 . 1 1 71 71 ASN C C 401 173.597 173.597 175.802 -2.205 17742 12873 1 19 . 1 1 71 71 ASN CA C 401 54.622 54.622 54.171 0.451 17742 12874 1 19 . 1 1 71 71 ASN CB C 401 37.252 37.252 35.989 1.263 17742 12875 1 19 . 1 1 71 71 ASN H H 401 8.061 8.061 8.142 -0.081 17742 12876 1 19 . 1 1 72 72 ILE N N 402 114.031 114.031 117.113 -3.082 17742 12877 1 19 . 1 1 72 72 ILE HA H 402 4.128 4.128 3.907 0.221 17742 12878 1 19 . 1 1 72 72 ILE C C 402 176.467 176.467 175.546 0.921 17742 12879 1 19 . 1 1 72 72 ILE CA C 402 63.720 63.720 64.371 -0.651 17742 12880 1 19 . 1 1 72 72 ILE CB C 402 40.491 40.491 38.880 1.611 17742 12881 1 19 . 1 1 72 72 ILE H H 402 8.104 8.104 8.332 -0.228 17742 12882 1 19 . 1 1 73 73 ILE N N 403 116.973 116.973 116.900 0.073 17742 12883 1 19 . 1 1 73 73 ILE HA H 403 5.014 5.014 5.308 -0.294 17742 12884 1 19 . 1 1 73 73 ILE C C 403 174.039 174.039 173.990 0.049 17742 12885 1 19 . 1 1 73 73 ILE CA C 403 59.357 59.357 59.523 -0.166 17742 12886 1 19 . 1 1 73 73 ILE CB C 403 43.362 43.362 41.765 1.597 17742 12887 1 19 . 1 1 73 73 ILE H H 403 7.099 7.099 7.421 -0.322 17742 12888 1 19 . 1 1 74 74 ARG N N 404 123.639 123.639 124.172 -0.533 17742 12889 1 19 . 1 1 74 74 ARG HA H 404 4.771 4.771 4.775 -0.004 17742 12890 1 19 . 1 1 74 74 ARG C C 404 174.917 174.917 174.211 0.706 17742 12891 1 19 . 1 1 74 74 ARG CA C 404 54.261 54.261 54.054 0.207 17742 12892 1 19 . 1 1 74 74 ARG CB C 404 34.689 34.689 33.423 1.266 17742 12893 1 19 . 1 1 74 74 ARG H H 404 8.983 8.983 8.603 0.380 17742 12894 1 19 . 1 1 75 75 LYS N N 405 125.665 125.665 122.219 3.446 17742 12895 1 19 . 1 1 75 75 LYS HA H 405 4.071 4.071 4.586 -0.515 17742 12896 1 19 . 1 1 75 75 LYS C C 405 176.525 176.525 176.378 0.147 17742 12897 1 19 . 1 1 75 75 LYS CA C 405 56.470 56.470 56.082 0.388 17742 12898 1 19 . 1 1 75 75 LYS CB C 405 32.649 32.649 33.066 -0.417 17742 12899 1 19 . 1 1 75 75 LYS H H 405 8.263 8.263 8.417 -0.154 17742 12900 1 19 . 1 1 76 76 GLU N N 406 128.072 128.072 125.173 2.899 17742 12901 1 19 . 1 1 76 76 GLU HA H 406 4.432 4.432 4.390 0.042 17742 12902 1 19 . 1 1 76 76 GLU CA C 406 53.747 53.747 53.786 -0.039 17742 12903 1 19 . 1 1 76 76 GLU CB C 406 29.914 29.914 29.163 0.751 17742 12904 1 19 . 1 1 76 76 GLU H H 406 8.024 8.024 8.255 -0.231 17742 12905 1 19 . 1 1 77 77 PRO HA H 407 4.282 4.282 4.228 0.054 17742 12906 1 19 . 1 1 77 77 PRO C C 407 177.719 177.719 177.736 -0.017 17742 12907 1 19 . 1 1 77 77 PRO CA C 407 63.407 63.407 64.104 -0.697 17742 12908 1 19 . 1 1 77 77 PRO CB C 407 32.184 32.184 31.354 0.830 17742 12909 1 19 . 1 1 78 78 GLY N N 408 109.716 109.716 113.025 -3.309 17742 12910 1 19 . 1 1 78 78 GLY C C 408 174.053 174.053 174.331 -0.278 17742 12911 1 19 . 1 1 78 78 GLY CA C 408 45.519 45.519 44.733 0.786 17742 12912 1 19 . 1 1 78 78 GLY H H 408 8.531 8.531 8.763 -0.232 17742 12913 1 19 . 1 1 79 79 GLN N N 409 116.964 116.964 119.940 -2.976 17742 12914 1 19 . 1 1 79 79 GLN HA H 409 4.488 4.488 4.405 0.083 17742 12915 1 19 . 1 1 79 79 GLN C C 409 175.390 175.390 175.895 -0.505 17742 12916 1 19 . 1 1 79 79 GLN CA C 409 54.359 54.359 54.846 -0.487 17742 12917 1 19 . 1 1 79 79 GLN CB C 409 31.202 31.202 29.821 1.381 17742 12918 1 19 . 1 1 79 79 GLN H H 409 7.559 7.559 7.664 -0.105 17742 12919 1 19 . 1 1 80 80 ARG N N 410 120.457 120.457 121.419 -0.962 17742 12920 1 19 . 1 1 80 80 ARG HA H 410 4.262 4.262 4.119 0.143 17742 12921 1 19 . 1 1 80 80 ARG C C 410 176.270 176.270 177.239 -0.969 17742 12922 1 19 . 1 1 80 80 ARG CA C 410 56.821 56.821 56.835 -0.014 17742 12923 1 19 . 1 1 80 80 ARG CB C 410 31.502 31.502 29.628 1.874 17742 12924 1 19 . 1 1 80 80 ARG H H 410 8.251 8.251 8.505 -0.254 17742 12925 1 19 . 1 1 81 81 LEU N N 411 119.348 119.348 121.350 -2.002 17742 12926 1 19 . 1 1 81 81 LEU HA H 411 4.023 4.023 4.457 -0.434 17742 12927 1 19 . 1 1 81 81 LEU C C 411 173.279 173.279 175.752 -2.473 17742 12928 1 19 . 1 1 81 81 LEU CA C 411 55.030 55.030 53.799 1.231 17742 12929 1 19 . 1 1 81 81 LEU CB C 411 40.335 40.335 41.234 -0.899 17742 12930 1 19 . 1 1 81 81 LEU H H 411 8.435 8.435 8.116 0.319 17742 12931 1 19 . 1 1 82 82 LEU N N 412 119.070 119.070 121.812 -2.742 17742 12932 1 19 . 1 1 82 82 LEU HA H 412 5.013 5.013 4.263 0.750 17742 12933 1 19 . 1 1 82 82 LEU C C 412 175.361 175.361 175.950 -0.589 17742 12934 1 19 . 1 1 82 82 LEU CA C 412 53.212 53.212 54.422 -1.210 17742 12935 1 19 . 1 1 82 82 LEU CB C 412 45.471 45.471 41.226 4.245 17742 12936 1 19 . 1 1 82 82 LEU H H 412 6.751 6.751 7.504 -0.753 17742 12937 1 19 . 1 1 83 83 PHE N N 413 122.184 122.184 124.583 -2.399 17742 12938 1 19 . 1 1 83 83 PHE HA H 413 4.865 4.865 5.293 -0.428 17742 12939 1 19 . 1 1 83 83 PHE C C 413 172.849 172.849 174.738 -1.889 17742 12940 1 19 . 1 1 83 83 PHE CA C 413 55.921 55.921 54.429 1.492 17742 12941 1 19 . 1 1 83 83 PHE CB C 413 44.569 44.569 42.475 2.094 17742 12942 1 19 . 1 1 83 83 PHE H H 413 8.661 8.661 8.938 -0.277 17742 12943 1 19 . 1 1 84 84 ARG N N 414 119.461 119.461 119.757 -0.296 17742 12944 1 19 . 1 1 84 84 ARG HA H 414 5.581 5.581 5.122 0.459 17742 12945 1 19 . 1 1 84 84 ARG C C 414 177.641 177.641 174.716 2.925 17742 12946 1 19 . 1 1 84 84 ARG CA C 414 54.239 54.239 55.614 -1.375 17742 12947 1 19 . 1 1 84 84 ARG CB C 414 36.198 36.198 33.814 2.384 17742 12948 1 19 . 1 1 84 84 ARG H H 414 9.098 9.098 8.665 0.433 17742 12949 1 19 . 1 1 85 85 PHE N N 415 124.274 124.274 128.073 -3.799 17742 12950 1 19 . 1 1 85 85 PHE HA H 415 5.027 5.027 5.058 -0.031 17742 12951 1 19 . 1 1 85 85 PHE C C 415 176.117 176.117 176.217 -0.100 17742 12952 1 19 . 1 1 85 85 PHE CA C 415 59.657 59.657 59.373 0.284 17742 12953 1 19 . 1 1 85 85 PHE CB C 415 40.819 40.819 38.839 1.980 17742 12954 1 19 . 1 1 85 85 PHE H H 415 8.928 8.928 9.546 -0.618 17742 12955 1 19 . 1 1 86 86 MET N N 416 121.081 121.081 123.877 -2.796 17742 12956 1 19 . 1 1 86 86 MET HA H 416 4.656 4.656 4.405 0.251 17742 12957 1 19 . 1 1 86 86 MET C C 416 176.444 176.444 176.537 -0.093 17742 12958 1 19 . 1 1 86 86 MET CA C 416 54.681 54.681 56.414 -1.733 17742 12959 1 19 . 1 1 86 86 MET CB C 416 31.698 31.698 32.603 -0.905 17742 12960 1 19 . 1 1 86 86 MET H H 416 8.676 8.676 8.982 -0.306 17742 12961 1 19 . 1 1 87 87 LYS N N 417 117.772 117.772 114.958 2.814 17742 12962 1 19 . 1 1 87 87 LYS HA H 417 4.899 4.899 4.725 0.174 17742 12963 1 19 . 1 1 87 87 LYS C C 417 175.621 175.621 174.882 0.739 17742 12964 1 19 . 1 1 87 87 LYS CA C 417 54.522 54.522 54.689 -0.167 17742 12965 1 19 . 1 1 87 87 LYS CB C 417 37.905 37.905 35.565 2.340 17742 12966 1 19 . 1 1 87 87 LYS H H 417 7.624 7.624 7.393 0.231 17742 12967 1 19 . 1 1 88 88 THR N N 418 112.426 112.426 110.925 1.501 17742 12968 1 19 . 1 1 88 88 THR HA H 418 4.372 4.372 4.397 -0.025 17742 12969 1 19 . 1 1 88 88 THR CA C 418 59.786 59.786 58.540 1.246 17742 12970 1 19 . 1 1 88 88 THR CB C 418 68.040 68.040 68.416 -0.376 17742 12971 1 19 . 1 1 88 88 THR H H 418 8.787 8.787 9.118 -0.331 17742 12972 1 19 . 1 1 89 89 PRO HA H 419 3.654 3.654 3.238 0.416 17742 12973 1 19 . 1 1 89 89 PRO C C 419 177.412 177.412 178.497 -1.085 17742 12974 1 19 . 1 1 89 89 PRO CA C 419 65.712 65.712 66.493 -0.781 17742 12975 1 19 . 1 1 89 89 PRO CB C 419 31.762 31.762 31.789 -0.027 17742 12976 1 19 . 1 1 90 90 ASP N N 420 114.221 114.221 113.768 0.453 17742 12977 1 19 . 1 1 90 90 ASP HA H 420 4.224 4.224 4.287 -0.063 17742 12978 1 19 . 1 1 90 90 ASP C C 420 178.341 178.341 176.829 1.512 17742 12979 1 19 . 1 1 90 90 ASP CA C 420 56.657 56.657 56.362 0.295 17742 12980 1 19 . 1 1 90 90 ASP CB C 420 40.642 40.642 40.772 -0.130 17742 12981 1 19 . 1 1 90 90 ASP H H 420 7.958 7.958 8.368 -0.410 17742 12982 1 19 . 1 1 91 91 GLU N N 421 119.443 119.443 116.876 2.567 17742 12983 1 19 . 1 1 91 91 GLU HA H 421 4.006 4.006 4.052 -0.046 17742 12984 1 19 . 1 1 91 91 GLU C C 421 179.238 179.238 178.941 0.297 17742 12985 1 19 . 1 1 91 91 GLU CA C 421 58.458 58.458 58.220 0.238 17742 12986 1 19 . 1 1 91 91 GLU CB C 421 30.774 30.774 29.909 0.865 17742 12987 1 19 . 1 1 91 91 GLU H H 421 7.628 7.628 7.593 0.035 17742 12988 1 19 . 1 1 92 92 ILE N N 422 120.617 120.617 120.207 0.410 17742 12989 1 19 . 1 1 92 92 ILE HA H 422 3.589 3.589 3.581 0.008 17742 12990 1 19 . 1 1 92 92 ILE C C 422 178.124 178.124 177.068 1.056 17742 12991 1 19 . 1 1 92 92 ILE CA C 422 63.878 63.878 64.197 -0.319 17742 12992 1 19 . 1 1 92 92 ILE CB C 422 38.142 38.142 37.577 0.565 17742 12993 1 19 . 1 1 92 92 ILE H H 422 7.896 7.896 7.458 0.438 17742 12994 1 19 . 1 1 93 93 MET N N 423 117.857 117.857 116.821 1.036 17742 12995 1 19 . 1 1 93 93 MET HA H 423 4.365 4.365 4.311 0.054 17742 12996 1 19 . 1 1 93 93 MET C C 423 177.009 177.009 176.972 0.037 17742 12997 1 19 . 1 1 93 93 MET CA C 423 56.527 56.527 56.834 -0.307 17742 12998 1 19 . 1 1 93 93 MET CB C 423 32.617 32.617 31.630 0.987 17742 12999 1 19 . 1 1 93 93 MET H H 423 8.161 8.161 7.812 0.349 17742 13000 1 19 . 1 1 94 94 SER N N 424 114.591 114.591 114.463 0.128 17742 13001 1 19 . 1 1 94 94 SER HA H 424 4.406 4.406 4.307 0.099 17742 13002 1 19 . 1 1 94 94 SER C C 424 175.262 175.262 175.227 0.035 17742 13003 1 19 . 1 1 94 94 SER CA C 424 59.482 59.482 59.265 0.217 17742 13004 1 19 . 1 1 94 94 SER CB C 424 63.466 63.466 63.302 0.164 17742 13005 1 19 . 1 1 94 94 SER H H 424 7.744 7.744 7.480 0.264 17742 13006 1 19 . 1 1 95 95 GLY N N 425 109.590 109.590 108.515 1.075 17742 13007 1 19 . 1 1 95 95 GLY C C 425 174.197 174.197 176.164 -1.967 17742 13008 1 19 . 1 1 95 95 GLY CA C 425 45.122 45.122 45.053 0.069 17742 13009 1 19 . 1 1 95 95 GLY H H 425 7.970 7.970 7.617 0.353 17742 13010 1 19 . 1 1 96 96 ARG N N 426 119.792 119.792 122.534 -2.742 17742 13011 1 19 . 1 1 96 96 ARG HA H 426 4.567 4.567 4.181 0.386 17742 13012 1 19 . 1 1 96 96 ARG C C 426 177.866 177.866 177.875 -0.009 17742 13013 1 19 . 1 1 96 96 ARG CA C 426 55.757 55.757 57.938 -2.181 17742 13014 1 19 . 1 1 96 96 ARG CB C 426 30.059 30.059 29.773 0.286 17742 13015 1 19 . 1 1 96 96 ARG H H 426 8.144 8.144 8.033 0.111 17742 13016 1 19 . 1 1 97 97 THR N N 427 114.770 114.770 111.185 3.585 17742 13017 1 19 . 1 1 97 97 THR HA H 427 4.221 4.221 4.227 -0.006 17742 13018 1 19 . 1 1 97 97 THR C C 427 175.449 175.449 175.421 0.028 17742 13019 1 19 . 1 1 97 97 THR CA C 427 63.411 63.411 65.436 -2.026 17742 13020 1 19 . 1 1 97 97 THR CB C 427 69.080 69.080 68.401 0.679 17742 13021 1 19 . 1 1 97 97 THR H H 427 8.427 8.427 7.786 0.641 17742 13022 1 19 . 1 1 98 98 ASP N N 428 122.017 122.017 122.499 -0.482 17742 13023 1 19 . 1 1 98 98 ASP HA H 428 4.404 4.404 4.319 0.085 17742 13024 1 19 . 1 1 98 98 ASP C C 428 178.042 178.042 178.323 -0.281 17742 13025 1 19 . 1 1 98 98 ASP CA C 428 56.438 56.438 58.578 -2.140 17742 13026 1 19 . 1 1 98 98 ASP CB C 428 40.012 40.012 40.840 -0.828 17742 13027 1 19 . 1 1 98 98 ASP H H 428 8.659 8.659 7.787 0.872 17742 13028 1 19 . 1 1 99 99 ARG N N 429 120.083 120.083 119.171 0.912 17742 13029 1 19 . 1 1 99 99 ARG HA H 429 4.190 4.190 4.178 0.012 17742 13030 1 19 . 1 1 99 99 ARG C C 429 178.236 178.236 178.466 -0.230 17742 13031 1 19 . 1 1 99 99 ARG CA C 429 58.307 58.307 58.688 -0.381 17742 13032 1 19 . 1 1 99 99 ARG CB C 429 30.073 30.073 29.961 0.112 17742 13033 1 19 . 1 1 99 99 ARG H H 429 8.011 8.011 8.144 -0.133 17742 13034 1 19 . 1 1 100 100 LEU N N 430 119.784 119.784 121.229 -1.445 17742 13035 1 19 . 1 1 100 100 LEU HA H 430 4.048 4.048 4.069 -0.021 17742 13036 1 19 . 1 1 100 100 LEU C C 430 178.209 178.209 178.828 -0.619 17742 13037 1 19 . 1 1 100 100 LEU CA C 430 57.535 57.535 57.984 -0.450 17742 13038 1 19 . 1 1 100 100 LEU CB C 430 42.218 42.218 41.673 0.545 17742 13039 1 19 . 1 1 100 100 LEU H H 430 7.667 7.667 7.642 0.025 17742 13040 1 19 . 1 1 101 101 GLU N N 431 119.434 119.434 117.451 1.983 17742 13041 1 19 . 1 1 101 101 GLU HA H 431 3.962 3.962 3.947 0.015 17742 13042 1 19 . 1 1 101 101 GLU C C 431 178.773 178.773 178.735 0.038 17742 13043 1 19 . 1 1 101 101 GLU CA C 431 59.470 59.470 59.597 -0.127 17742 13044 1 19 . 1 1 101 101 GLU CB C 431 29.667 29.667 29.414 0.253 17742 13045 1 19 . 1 1 101 101 GLU H H 431 8.339 8.339 8.651 -0.312 17742 13046 1 19 . 1 1 102 102 HIS N N 432 118.026 118.026 118.583 -0.557 17742 13047 1 19 . 1 1 102 102 HIS HA H 432 4.463 4.463 4.452 0.011 17742 13048 1 19 . 1 1 102 102 HIS C C 432 177.322 177.322 177.597 -0.275 17742 13049 1 19 . 1 1 102 102 HIS CA C 432 58.432 58.432 58.831 -0.399 17742 13050 1 19 . 1 1 102 102 HIS CB C 432 29.237 29.237 30.525 -1.288 17742 13051 1 19 . 1 1 102 102 HIS H H 432 7.995 7.995 7.431 0.564 17742 13052 1 19 . 1 1 103 103 LEU N N 433 120.785 120.785 122.082 -1.297 17742 13053 1 19 . 1 1 103 103 LEU HA H 433 3.971 3.971 4.241 -0.270 17742 13054 1 19 . 1 1 103 103 LEU C C 433 179.014 179.014 178.863 0.151 17742 13055 1 19 . 1 1 103 103 LEU CA C 433 57.570 57.570 58.076 -0.506 17742 13056 1 19 . 1 1 103 103 LEU CB C 433 41.606 41.606 41.295 0.311 17742 13057 1 19 . 1 1 103 103 LEU H H 433 8.077 8.077 8.525 -0.448 17742 13058 1 19 . 1 1 104 104 GLU N N 434 119.107 119.107 118.031 1.076 17742 13059 1 19 . 1 1 104 104 GLU HA H 434 4.025 4.025 3.980 0.045 17742 13060 1 19 . 1 1 104 104 GLU C C 434 178.187 178.187 178.810 -0.623 17742 13061 1 19 . 1 1 104 104 GLU CA C 434 60.221 60.221 60.045 0.176 17742 13062 1 19 . 1 1 104 104 GLU CB C 434 30.104 30.104 29.526 0.578 17742 13063 1 19 . 1 1 104 104 GLU H H 434 8.443 8.443 8.629 -0.186 17742 13064 1 19 . 1 1 105 105 SER N N 435 114.129 114.129 112.768 1.361 17742 13065 1 19 . 1 1 105 105 SER HA H 435 4.204 4.204 4.041 0.163 17742 13066 1 19 . 1 1 105 105 SER C C 435 175.924 175.924 175.758 0.166 17742 13067 1 19 . 1 1 105 105 SER CA C 435 61.303 61.303 61.086 0.217 17742 13068 1 19 . 1 1 105 105 SER CB C 435 63.070 63.070 62.667 0.403 17742 13069 1 19 . 1 1 105 105 SER H H 435 8.041 8.041 7.849 0.192 17742 13070 1 19 . 1 1 106 106 GLN N N 436 120.201 120.201 120.992 -0.791 17742 13071 1 19 . 1 1 106 106 GLN HA H 436 4.124 4.124 4.164 -0.040 17742 13072 1 19 . 1 1 106 106 GLN C C 436 178.242 178.242 178.636 -0.394 17742 13073 1 19 . 1 1 106 106 GLN CA C 436 58.242 58.242 57.958 0.284 17742 13074 1 19 . 1 1 106 106 GLN CB C 436 29.001 29.001 29.109 -0.108 17742 13075 1 19 . 1 1 106 106 GLN H H 436 7.823 7.823 7.541 0.282 17742 13076 1 19 . 1 1 107 107 VAL N N 437 117.503 117.503 121.341 -3.838 17742 13077 1 19 . 1 1 107 107 VAL HA H 437 3.955 3.955 4.030 -0.075 17742 13078 1 19 . 1 1 107 107 VAL C C 437 177.462 177.462 176.233 1.229 17742 13079 1 19 . 1 1 107 107 VAL CA C 437 64.414 64.414 65.025 -0.611 17742 13080 1 19 . 1 1 107 107 VAL CB C 437 32.192 32.192 31.767 0.425 17742 13081 1 19 . 1 1 107 107 VAL H H 437 7.711 7.711 8.596 -0.885 17742 13082 1 19 . 1 1 108 108 LEU HA H 438 4.072 4.072 4.330 -0.258 17742 13083 1 19 . 1 1 108 108 LEU C C 438 177.614 177.614 177.198 0.416 17742 13084 1 19 . 1 1 108 108 LEU CA C 438 56.521 56.521 55.381 1.140 17742 13085 1 19 . 1 1 108 108 LEU CB C 438 42.149 42.149 41.435 0.714 17742 13086 1 19 . 1 1 109 109 ASP N N 439 118.500 118.500 118.229 0.271 17742 13087 1 19 . 1 1 109 109 ASP HA H 439 4.685 4.685 4.665 0.020 17742 13088 1 19 . 1 1 109 109 ASP C C 439 176.372 176.372 177.188 -0.816 17742 13089 1 19 . 1 1 109 109 ASP CA C 439 54.653 54.653 53.805 0.848 17742 13090 1 19 . 1 1 109 109 ASP CB C 439 41.425 41.425 41.671 -0.246 17742 13091 1 19 . 1 1 109 109 ASP H H 439 7.872 7.872 7.677 0.195 17742 13092 1 19 . 1 1 110 110 GLU N N 440 120.701 120.701 118.649 2.052 17742 13093 1 19 . 1 1 110 110 GLU HA H 440 4.188 4.188 4.067 0.121 17742 13094 1 19 . 1 1 110 110 GLU C C 440 176.739 176.739 177.101 -0.362 17742 13095 1 19 . 1 1 110 110 GLU CA C 440 57.310 57.310 58.369 -1.059 17742 13096 1 19 . 1 1 110 110 GLU CB C 440 30.091 30.091 29.841 0.250 17742 13097 1 19 . 1 1 110 110 GLU H H 440 7.929 7.929 7.681 0.248 17742 13098 1 19 . 1 1 111 111 GLN N N 441 120.829 120.829 116.335 4.494 17742 13099 1 19 . 1 1 111 111 GLN HA H 441 4.341 4.341 4.331 0.010 17742 13100 1 19 . 1 1 111 111 GLN C C 441 176.214 176.214 176.217 -0.003 17742 13101 1 19 . 1 1 111 111 GLN CA C 441 56.103 56.103 55.790 0.313 17742 13102 1 19 . 1 1 111 111 GLN CB C 441 29.607 29.607 29.082 0.525 17742 13103 1 19 . 1 1 111 111 GLN H H 441 8.434 8.434 7.926 0.508 17742 13104 1 19 . 1 1 112 112 THR N N 442 114.861 114.861 113.990 0.871 17742 13105 1 19 . 1 1 112 112 THR HA H 442 4.258 4.258 3.958 0.300 17742 13106 1 19 . 1 1 112 112 THR C C 442 174.095 174.095 174.965 -0.870 17742 13107 1 19 . 1 1 112 112 THR CA C 442 62.140 62.140 63.855 -1.715 17742 13108 1 19 . 1 1 112 112 THR CB C 442 69.870 69.870 68.884 0.986 17742 13109 1 19 . 1 1 112 112 THR H H 442 8.038 8.038 8.386 -0.348 17742 13110 1 19 . 1 1 113 113 TYR N N 443 122.709 122.709 118.694 4.015 17742 13111 1 19 . 1 1 113 113 TYR HA H 443 4.552 4.552 4.679 -0.127 17742 13112 1 19 . 1 1 113 113 TYR C C 443 175.303 175.303 174.599 0.704 17742 13113 1 19 . 1 1 113 113 TYR CA C 443 57.921 57.921 55.596 2.325 17742 13114 1 19 . 1 1 113 113 TYR CB C 443 38.982 38.982 37.766 1.216 17742 13115 1 19 . 1 1 113 113 TYR H H 443 8.171 8.171 7.828 0.343 17742 13116 1 19 . 1 1 114 114 GLN N N 444 122.768 122.768 117.304 5.464 17742 13117 1 19 . 1 1 114 114 GLN HA H 444 4.284 4.284 3.912 0.372 17742 13118 1 19 . 1 1 114 114 GLN C C 444 175.372 175.372 174.665 0.707 17742 13119 1 19 . 1 1 114 114 GLN CA C 444 55.543 55.543 56.560 -1.017 17742 13120 1 19 . 1 1 114 114 GLN CB C 444 29.894 29.894 27.799 2.095 17742 13121 1 19 . 1 1 114 114 GLN H H 444 8.202 8.202 8.237 -0.035 17742 13122 1 19 . 1 1 115 115 GLU N N 445 122.370 122.370 117.572 4.798 17742 13123 1 19 . 1 1 115 115 GLU HA H 445 4.225 4.225 4.173 0.052 17742 13124 1 19 . 1 1 115 115 GLU C C 445 176.058 176.058 176.232 -0.174 17742 13125 1 19 . 1 1 115 115 GLU CA C 445 56.612 56.612 55.465 1.147 17742 13126 1 19 . 1 1 115 115 GLU CB C 445 30.517 30.517 30.215 0.302 17742 13127 1 19 . 1 1 115 115 GLU H H 445 8.371 8.371 7.711 0.660 17742 13128 1 19 . 1 1 116 116 ASP N N 446 121.090 121.090 122.181 -1.091 17742 13129 1 19 . 1 1 116 116 ASP HA H 446 4.595 4.595 4.630 -0.035 17742 13130 1 19 . 1 1 116 116 ASP C C 446 175.872 175.872 177.150 -1.278 17742 13131 1 19 . 1 1 116 116 ASP CA C 446 54.382 54.382 55.331 -0.950 17742 13132 1 19 . 1 1 116 116 ASP CB C 446 41.402 41.402 41.755 -0.353 17742 13133 1 19 . 1 1 116 116 ASP H H 446 8.336 8.336 8.528 -0.192 17742 13134 1 19 . 1 1 117 117 GLU N N 447 121.977 121.977 120.634 1.343 17742 13135 1 19 . 1 1 117 117 GLU HA H 447 4.575 4.575 4.537 0.038 17742 13136 1 19 . 1 1 117 117 GLU CA C 447 54.442 54.442 55.124 -0.682 17742 13137 1 19 . 1 1 117 117 GLU CB C 447 30.254 30.254 29.495 0.759 17742 13138 1 19 . 1 1 117 117 GLU H H 447 8.194 8.194 8.096 0.098 17742 13139 1 19 . 1 1 118 118 PRO HA H 448 4.461 4.461 4.269 0.192 17742 13140 1 19 . 1 1 118 118 PRO C C 448 177.160 177.160 177.112 0.048 17742 13141 1 19 . 1 1 118 118 PRO CA C 448 63.371 63.371 63.130 0.240 17742 13142 1 19 . 1 1 118 118 PRO CB C 448 32.302 32.302 32.283 0.019 17742 13143 1 19 . 1 1 119 119 THR N N 449 114.788 114.788 113.777 1.011 17742 13144 1 19 . 1 1 119 119 THR HA H 449 4.292 4.292 4.185 0.107 17742 13145 1 19 . 1 1 119 119 THR C C 449 174.664 174.664 174.884 -0.220 17742 13146 1 19 . 1 1 119 119 THR CA C 449 62.117 62.117 62.050 0.067 17742 13147 1 19 . 1 1 119 119 THR CB C 449 69.861 69.861 69.566 0.295 17742 13148 1 19 . 1 1 119 119 THR H H 449 8.235 8.235 8.038 0.197 17742 13149 1 19 . 1 1 120 120 ILE N N 450 123.074 123.074 125.252 -2.178 17742 13150 1 19 . 1 1 120 120 ILE HA H 450 4.169 4.169 4.269 -0.100 17742 13151 1 19 . 1 1 120 120 ILE C C 450 175.683 175.683 175.190 0.493 17742 13152 1 19 . 1 1 120 120 ILE CA C 450 60.987 60.987 60.599 0.388 17742 13153 1 19 . 1 1 120 120 ILE CB C 450 38.983 38.983 36.125 2.858 17742 13154 1 19 . 1 1 120 120 ILE H H 450 8.043 8.043 8.585 -0.542 17742 13155 1 19 . 1 1 121 121 ALA N N 451 128.011 128.011 130.702 -2.691 17742 13156 1 19 . 1 1 121 121 ALA HA H 451 4.332 4.332 4.551 -0.219 17742 13157 1 19 . 1 1 121 121 ALA C C 451 177.333 177.333 176.924 0.409 17742 13158 1 19 . 1 1 121 121 ALA CA C 451 52.364 52.364 52.267 0.097 17742 13159 1 19 . 1 1 121 121 ALA CB C 451 19.534 19.534 19.647 -0.113 17742 13160 1 19 . 1 1 121 121 ALA H H 451 8.277 8.277 8.637 -0.360 17742 13161 1 19 . 1 1 122 122 SER N N 452 116.575 116.575 112.757 3.818 17742 13162 1 19 . 1 1 122 122 SER HA H 452 4.672 4.672 4.823 -0.151 17742 13163 1 19 . 1 1 122 122 SER CA C 452 56.230 56.230 57.242 -1.012 17742 13164 1 19 . 1 1 122 122 SER CB C 452 63.460 63.460 63.824 -0.364 17742 13165 1 19 . 1 1 122 122 SER H H 452 8.161 8.161 7.916 0.245 17742 13166 1 19 . 1 1 123 123 PRO HA H 453 4.395 4.395 3.403 0.992 17742 13167 1 19 . 1 1 123 123 PRO C C 453 176.993 176.993 176.069 0.924 17742 13168 1 19 . 1 1 123 123 PRO CA C 453 63.303 63.303 62.804 0.499 17742 13169 1 19 . 1 1 123 123 PRO CB C 453 32.149 32.149 29.679 2.470 17742 13170 1 19 . 1 1 124 124 VAL N N 454 119.733 119.733 121.502 -1.769 17742 13171 1 19 . 1 1 124 124 VAL HA H 454 4.010 4.010 3.864 0.146 17742 13172 1 19 . 1 1 124 124 VAL CA C 454 62.674 62.674 64.702 -2.028 17742 13173 1 19 . 1 1 124 124 VAL CB C 454 32.669 32.669 32.172 0.497 17742 13174 1 19 . 1 1 124 124 VAL H H 454 8.058 8.058 8.729 -0.671 17742 13175 1 19 . 1 1 125 125 GLY N N 455 111.901 111.901 104.859 7.042 17742 13176 1 19 . 1 1 125 125 GLY CA C 455 45.152 45.152 45.450 -0.298 17742 13177 1 19 . 1 1 125 125 GLY H H 455 8.255 8.255 8.291 -0.036 17742 13178 1 19 . 1 1 126 126 TRP N N 456 122.405 122.405 120.647 1.758 17742 13179 1 19 . 1 1 126 126 TRP HA H 456 4.929 4.929 5.485 -0.556 17742 13180 1 19 . 1 1 126 126 TRP CA C 456 55.029 55.029 54.495 0.534 17742 13181 1 19 . 1 1 126 126 TRP CB C 456 29.383 29.383 30.424 -1.041 17742 13182 1 19 . 1 1 126 126 TRP H H 456 7.906 7.906 7.670 0.236 17742 13183 1 19 . 1 1 127 127 PRO HA H 457 4.429 4.429 4.546 -0.117 17742 13184 1 19 . 1 1 127 127 PRO C C 457 175.951 175.951 175.859 0.092 17742 13185 1 19 . 1 1 127 127 PRO CA C 457 63.558 63.558 63.564 -0.006 17742 13186 1 19 . 1 1 127 127 PRO CB C 457 31.932 31.932 31.717 0.215 17742 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 114 2.400 0.094 2.409 17742 2 1 1 "Average Difference" HA 127 0.302 0.013 0.303 17742 3 1 1 "Average Difference" C 111 1.317 -0.147 1.315 17742 4 1 1 "Average Difference" CA 121 0.982 -0.154 0.974 17742 5 1 1 "Average Difference" CB 117 1.103 -0.376 1.041 17742 6 1 1 "Average Difference" HN 114 0.484 0.008 0.486 17742 7 1 2 "Average Difference" N 114 2.410 0.235 2.409 17742 8 1 2 "Average Difference" HA 127 0.327 -0.006 0.328 17742 9 1 2 "Average Difference" C 111 1.388 -0.145 1.387 17742 10 1 2 "Average Difference" CA 121 1.017 -0.122 1.014 17742 11 1 2 "Average Difference" CB 117 1.078 -0.407 1.002 17742 12 1 2 "Average Difference" HN 114 0.470 -0.034 0.471 17742 13 1 3 "Average Difference" N 114 2.486 0.037 2.496 17742 14 1 3 "Average Difference" HA 127 0.304 0.016 0.304 17742 15 1 3 "Average Difference" C 111 1.348 -0.167 1.343 17742 16 1 3 "Average Difference" CA 121 0.994 -0.102 0.993 17742 17 1 3 "Average Difference" CB 117 1.071 -0.298 1.033 17742 18 1 3 "Average Difference" HN 114 0.464 -0.015 0.466 17742 19 1 4 "Average Difference" N 114 2.264 0.153 2.268 17742 20 1 4 "Average Difference" HA 127 0.298 0.007 0.299 17742 21 1 4 "Average Difference" C 111 1.329 -0.148 1.327 17742 22 1 4 "Average Difference" CA 121 0.919 -0.118 0.915 17742 23 1 4 "Average Difference" CB 117 1.114 -0.315 1.073 17742 24 1 4 "Average Difference" HN 114 0.438 0.008 0.440 17742 25 1 5 "Average Difference" N 114 2.539 0.009 2.550 17742 26 1 5 "Average Difference" HA 127 0.309 0.007 0.310 17742 27 1 5 "Average Difference" C 111 1.334 -0.171 1.328 17742 28 1 5 "Average Difference" CA 121 0.989 -0.038 0.992 17742 29 1 5 "Average Difference" CB 117 1.152 -0.430 1.073 17742 30 1 5 "Average Difference" HN 114 0.466 0.006 0.468 17742 31 1 6 "Average Difference" N 114 2.546 0.181 2.551 17742 32 1 6 "Average Difference" HA 127 0.290 0.013 0.291 17742 33 1 6 "Average Difference" C 111 1.337 -0.170 1.333 17742 34 1 6 "Average Difference" CA 121 0.952 -0.192 0.936 17742 35 1 6 "Average Difference" CB 117 1.048 -0.314 1.004 17742 36 1 6 "Average Difference" HN 114 0.479 0.023 0.481 17742 37 1 7 "Average Difference" N 114 2.654 -0.045 2.665 17742 38 1 7 "Average Difference" HA 127 0.305 0.004 0.306 17742 39 1 7 "Average Difference" C 111 1.328 -0.126 1.328 17742 40 1 7 "Average Difference" CA 121 0.995 -0.074 0.996 17742 41 1 7 "Average Difference" CB 117 1.192 -0.395 1.129 17742 42 1 7 "Average Difference" HN 114 0.455 -0.037 0.456 17742 43 1 8 "Average Difference" N 114 2.531 -0.055 2.542 17742 44 1 8 "Average Difference" HA 127 0.296 0.010 0.297 17742 45 1 8 "Average Difference" C 111 1.324 -0.166 1.320 17742 46 1 8 "Average Difference" CA 121 1.013 -0.142 1.007 17742 47 1 8 "Average Difference" CB 117 1.108 -0.431 1.025 17742 48 1 8 "Average Difference" HN 114 0.438 -0.023 0.440 17742 49 1 9 "Average Difference" N 114 2.273 0.010 2.283 17742 50 1 9 "Average Difference" HA 127 0.310 0.002 0.311 17742 51 1 9 "Average Difference" C 111 1.333 -0.131 1.332 17742 52 1 9 "Average Difference" CA 121 0.999 -0.051 1.002 17742 53 1 9 "Average Difference" CB 117 1.157 -0.315 1.118 17742 54 1 9 "Average Difference" HN 114 0.441 -0.007 0.443 17742 55 1 10 "Average Difference" N 114 2.484 0.020 2.495 17742 56 1 10 "Average Difference" HA 127 0.292 0.022 0.292 17742 57 1 10 "Average Difference" C 111 1.352 -0.166 1.348 17742 58 1 10 "Average Difference" CA 121 1.028 -0.151 1.021 17742 59 1 10 "Average Difference" CB 117 1.095 -0.300 1.057 17742 60 1 10 "Average Difference" HN 114 0.460 0.007 0.462 17742 61 1 11 "Average Difference" N 114 2.286 -0.015 2.296 17742 62 1 11 "Average Difference" HA 127 0.300 0.018 0.300 17742 63 1 11 "Average Difference" C 111 1.359 -0.179 1.354 17742 64 1 11 "Average Difference" CA 121 0.960 -0.158 0.951 17742 65 1 11 "Average Difference" CB 117 1.021 -0.265 0.990 17742 66 1 11 "Average Difference" HN 114 0.455 0.007 0.457 17742 67 1 12 "Average Difference" N 114 2.490 0.137 2.498 17742 68 1 12 "Average Difference" HA 127 0.307 -0.002 0.308 17742 69 1 12 "Average Difference" C 111 1.359 -0.156 1.356 17742 70 1 12 "Average Difference" CA 121 1.067 -0.137 1.062 17742 71 1 12 "Average Difference" CB 117 1.117 -0.385 1.053 17742 72 1 12 "Average Difference" HN 114 0.461 -0.023 0.462 17742 73 1 13 "Average Difference" N 114 2.660 0.151 2.668 17742 74 1 13 "Average Difference" HA 127 0.334 -0.006 0.335 17742 75 1 13 "Average Difference" C 111 1.332 -0.168 1.328 17742 76 1 13 "Average Difference" CA 121 0.991 -0.080 0.992 17742 77 1 13 "Average Difference" CB 117 1.088 -0.424 1.006 17742 78 1 13 "Average Difference" HN 114 0.428 -0.007 0.430 17742 79 1 14 "Average Difference" N 114 2.392 -0.019 2.402 17742 80 1 14 "Average Difference" HA 127 0.295 0.030 0.295 17742 81 1 14 "Average Difference" C 111 1.343 -0.210 1.332 17742 82 1 14 "Average Difference" CA 121 0.933 -0.179 0.920 17742 83 1 14 "Average Difference" CB 117 1.123 -0.331 1.078 17742 84 1 14 "Average Difference" HN 114 0.446 -0.005 0.448 17742 85 1 15 "Average Difference" N 114 2.396 -0.160 2.401 17742 86 1 15 "Average Difference" HA 127 0.330 -0.006 0.331 17742 87 1 15 "Average Difference" C 111 1.360 -0.124 1.361 17742 88 1 15 "Average Difference" CA 121 1.043 -0.162 1.034 17742 89 1 15 "Average Difference" CB 117 1.142 -0.350 1.091 17742 90 1 15 "Average Difference" HN 114 0.462 -0.051 0.462 17742 91 1 16 "Average Difference" N 114 2.442 -0.162 2.448 17742 92 1 16 "Average Difference" HA 127 0.306 0.021 0.306 17742 93 1 16 "Average Difference" C 111 1.368 -0.213 1.358 17742 94 1 16 "Average Difference" CA 121 0.925 -0.123 0.921 17742 95 1 16 "Average Difference" CB 117 1.106 -0.327 1.061 17742 96 1 16 "Average Difference" HN 114 0.427 0.018 0.428 17742 97 1 17 "Average Difference" N 114 2.631 0.027 2.642 17742 98 1 17 "Average Difference" HA 127 0.317 0.003 0.318 17742 99 1 17 "Average Difference" C 111 1.381 -0.214 1.371 17742 100 1 17 "Average Difference" CA 121 1.000 -0.154 0.993 17742 101 1 17 "Average Difference" CB 117 1.142 -0.437 1.060 17742 102 1 17 "Average Difference" HN 114 0.447 -0.042 0.447 17742 103 1 18 "Average Difference" N 114 2.403 -0.123 2.411 17742 104 1 18 "Average Difference" HA 127 0.302 -0.002 0.303 17742 105 1 18 "Average Difference" C 111 1.339 -0.222 1.327 17742 106 1 18 "Average Difference" CA 121 0.928 -0.128 0.923 17742 107 1 18 "Average Difference" CB 117 1.151 -0.362 1.098 17742 108 1 18 "Average Difference" HN 114 0.462 -0.024 0.463 17742 109 1 19 "Average Difference" N 114 2.360 -0.079 2.370 17742 110 1 19 "Average Difference" HA 127 0.313 -0.000 0.315 17742 111 1 19 "Average Difference" C 111 1.391 -0.127 1.391 17742 112 1 19 "Average Difference" CA 121 0.965 -0.055 0.967 17742 113 1 19 "Average Difference" CB 117 1.085 -0.392 1.017 17742 114 1 19 "Average Difference" HN 114 0.422 -0.004 0.424 17742 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 17742 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 5 5 ARG N N 335 123.607 123.607 120.811 2.796 17742 2 1 . 1 1 5 5 ARG HA H 335 4.382 4.382 4.596 -0.214 17742 3 1 . 1 1 5 5 ARG CA C 335 56.926 56.926 55.385 1.541 17742 4 1 . 1 1 5 5 ARG H H 335 9.161 9.161 8.477 0.684 17742 5 1 . 1 1 6 6 LEU N N 336 122.412 122.412 118.199 4.213 17742 6 1 . 1 1 6 6 LEU CB C 336 42.172 42.172 42.054 0.118 17742 7 1 . 1 1 6 6 LEU H H 336 8.775 8.775 7.991 0.784 17742 8 1 . 1 1 7 7 LEU HA H 337 3.669 3.669 4.346 -0.677 17742 9 1 . 1 1 7 7 LEU CA C 337 59.053 59.053 58.578 0.475 17742 10 1 . 1 1 7 7 LEU CB C 337 40.447 40.447 42.109 -1.662 17742 11 1 . 1 1 8 8 TRP N N 338 114.197 114.197 116.295 -2.098 17742 12 1 . 1 1 8 8 TRP HA H 338 3.747 3.747 4.607 -0.860 17742 13 1 . 1 1 8 8 TRP CA C 338 60.071 60.071 59.270 0.801 17742 14 1 . 1 1 8 8 TRP CB C 338 28.481 28.481 28.429 0.052 17742 15 1 . 1 1 8 8 TRP H H 338 7.595 7.595 7.572 0.023 17742 16 1 . 1 1 9 9 ASP HA H 339 3.648 3.648 4.612 -0.964 17742 17 1 . 1 1 9 9 ASP C C 339 177.491 177.491 177.759 -0.268 17742 18 1 . 1 1 9 9 ASP CA C 339 56.197 56.197 56.905 -0.708 17742 19 1 . 1 1 9 9 ASP CB C 339 41.702 41.702 40.561 1.141 17742 20 1 . 1 1 10 10 TYR N N 340 120.786 120.786 121.437 -0.651 17742 21 1 . 1 1 10 10 TYR HA H 340 3.851 3.851 4.082 -0.231 17742 22 1 . 1 1 10 10 TYR C C 340 177.016 177.016 177.534 -0.518 17742 23 1 . 1 1 10 10 TYR CA C 340 61.921 61.921 61.230 0.692 17742 24 1 . 1 1 10 10 TYR CB C 340 39.202 39.202 38.625 0.577 17742 25 1 . 1 1 10 10 TYR H H 340 7.929 7.929 7.719 0.210 17742 26 1 . 1 1 11 11 VAL N N 341 114.828 114.828 119.097 -4.269 17742 27 1 . 1 1 11 11 VAL HA H 341 2.982 2.982 3.539 -0.557 17742 28 1 . 1 1 11 11 VAL C C 341 176.795 176.795 177.140 -0.345 17742 29 1 . 1 1 11 11 VAL CA C 341 66.855 66.855 65.911 0.944 17742 30 1 . 1 1 11 11 VAL CB C 341 31.152 31.152 31.739 -0.587 17742 31 1 . 1 1 11 11 VAL H H 341 8.291 8.291 8.496 -0.205 17742 32 1 . 1 1 12 12 TYR N N 342 119.177 119.177 119.864 -0.687 17742 33 1 . 1 1 12 12 TYR HA H 342 3.617 3.617 3.867 -0.250 17742 34 1 . 1 1 12 12 TYR C C 342 178.765 178.765 177.108 1.657 17742 35 1 . 1 1 12 12 TYR CA C 342 62.960 62.960 61.176 1.784 17742 36 1 . 1 1 12 12 TYR CB C 342 38.232 38.232 38.228 0.004 17742 37 1 . 1 1 12 12 TYR H H 342 7.712 7.712 7.804 -0.092 17742 38 1 . 1 1 13 13 GLN N N 343 118.873 118.873 118.221 0.652 17742 39 1 . 1 1 13 13 GLN HA H 343 3.833 3.833 3.973 -0.140 17742 40 1 . 1 1 13 13 GLN C C 343 179.917 179.917 178.330 1.587 17742 41 1 . 1 1 13 13 GLN CA C 343 58.821 58.821 58.116 0.705 17742 42 1 . 1 1 13 13 GLN CB C 343 27.649 27.649 28.444 -0.795 17742 43 1 . 1 1 13 13 GLN H H 343 8.076 8.076 7.748 0.328 17742 44 1 . 1 1 14 14 LEU N N 344 121.381 121.381 119.800 1.581 17742 45 1 . 1 1 14 14 LEU HA H 344 3.611 3.611 3.782 -0.171 17742 46 1 . 1 1 14 14 LEU C C 344 179.861 179.861 179.025 0.836 17742 47 1 . 1 1 14 14 LEU CA C 344 58.121 58.121 57.093 1.028 17742 48 1 . 1 1 14 14 LEU CB C 344 41.382 41.382 41.477 -0.095 17742 49 1 . 1 1 14 14 LEU H H 344 7.772 7.772 7.443 0.329 17742 50 1 . 1 1 15 15 LEU N N 345 116.801 116.801 116.485 0.316 17742 51 1 . 1 1 15 15 LEU HA H 345 3.513 3.513 3.951 -0.438 17742 52 1 . 1 1 15 15 LEU C C 345 178.221 178.221 177.881 0.340 17742 53 1 . 1 1 15 15 LEU CA C 345 56.568 56.568 56.699 -0.131 17742 54 1 . 1 1 15 15 LEU CB C 345 41.431 41.431 41.206 0.225 17742 55 1 . 1 1 15 15 LEU H H 345 7.546 7.546 7.485 0.061 17742 56 1 . 1 1 16 16 SER N N 346 112.511 112.511 111.427 1.084 17742 57 1 . 1 1 16 16 SER HA H 346 4.542 4.542 4.515 0.027 17742 58 1 . 1 1 16 16 SER C C 346 172.510 172.510 174.127 -1.617 17742 59 1 . 1 1 16 16 SER CA C 346 58.891 58.891 58.493 0.398 17742 60 1 . 1 1 16 16 SER CB C 346 63.993 63.993 63.673 0.320 17742 61 1 . 1 1 16 16 SER H H 346 7.277 7.277 7.382 -0.105 17742 62 1 . 1 1 17 17 ASP N N 347 122.234 122.234 121.283 0.951 17742 63 1 . 1 1 17 17 ASP HA H 347 4.969 4.969 4.903 0.066 17742 64 1 . 1 1 17 17 ASP C C 347 175.703 175.703 176.309 -0.606 17742 65 1 . 1 1 17 17 ASP CA C 347 52.761 52.761 53.331 -0.570 17742 66 1 . 1 1 17 17 ASP CB C 347 43.427 43.427 43.634 -0.207 17742 67 1 . 1 1 17 17 ASP H H 347 7.353 7.353 7.569 -0.216 17742 68 1 . 1 1 18 18 SER N N 348 120.139 120.139 119.872 0.267 17742 69 1 . 1 1 18 18 SER HA H 348 4.371 4.371 4.324 0.047 17742 70 1 . 1 1 18 18 SER C C 348 176.259 176.259 176.120 0.139 17742 71 1 . 1 1 18 18 SER CA C 348 61.131 61.131 60.155 0.976 17742 72 1 . 1 1 18 18 SER CB C 348 63.177 63.177 63.245 -0.068 17742 73 1 . 1 1 18 18 SER H H 348 8.691 8.691 8.822 -0.131 17742 74 1 . 1 1 19 19 ARG N N 349 122.716 122.716 122.882 -0.166 17742 75 1 . 1 1 19 19 ARG HA H 349 4.114 4.114 3.893 0.221 17742 76 1 . 1 1 19 19 ARG C C 349 178.154 178.154 177.870 0.284 17742 77 1 . 1 1 19 19 ARG CA C 349 58.531 58.531 58.647 -0.116 17742 78 1 . 1 1 19 19 ARG CB C 349 29.794 29.794 29.467 0.327 17742 79 1 . 1 1 19 19 ARG H H 349 8.586 8.586 7.841 0.745 17742 80 1 . 1 1 20 20 TYR N N 350 116.201 116.201 116.957 -0.756 17742 81 1 . 1 1 20 20 TYR HA H 350 4.883 4.883 4.780 0.103 17742 82 1 . 1 1 20 20 TYR C C 350 177.029 177.029 176.139 0.890 17742 83 1 . 1 1 20 20 TYR CA C 350 58.741 58.741 56.260 2.481 17742 84 1 . 1 1 20 20 TYR CB C 350 37.642 37.642 36.341 1.301 17742 85 1 . 1 1 20 20 TYR H H 350 8.291 8.291 7.434 0.857 17742 86 1 . 1 1 21 21 GLU N N 351 120.803 120.803 120.838 -0.035 17742 87 1 . 1 1 21 21 GLU HA H 351 4.466 4.466 4.277 0.189 17742 88 1 . 1 1 21 21 GLU C C 351 176.324 176.324 177.408 -1.084 17742 89 1 . 1 1 21 21 GLU CA C 351 59.132 59.132 58.873 0.259 17742 90 1 . 1 1 21 21 GLU CB C 351 29.864 29.864 28.899 0.965 17742 91 1 . 1 1 21 21 GLU H H 351 7.513 7.513 7.875 -0.362 17742 92 1 . 1 1 22 22 ASN N N 352 114.531 114.531 115.651 -1.120 17742 93 1 . 1 1 22 22 ASN HA H 352 4.492 4.492 4.609 -0.117 17742 94 1 . 1 1 22 22 ASN C C 352 174.497 174.497 175.575 -1.078 17742 95 1 . 1 1 22 22 ASN CA C 352 54.122 54.122 53.785 0.337 17742 96 1 . 1 1 22 22 ASN CB C 352 36.935 36.935 38.893 -1.958 17742 97 1 . 1 1 22 22 ASN H H 352 8.649 8.649 8.252 0.397 17742 98 1 . 1 1 23 23 PHE N N 353 115.501 115.501 116.478 -0.977 17742 99 1 . 1 1 23 23 PHE HA H 353 4.751 4.751 4.624 0.127 17742 100 1 . 1 1 23 23 PHE C C 353 176.442 176.442 175.116 1.326 17742 101 1 . 1 1 23 23 PHE CB C 353 41.502 41.502 41.802 -0.300 17742 102 1 . 1 1 23 23 PHE H H 353 8.555 8.555 7.985 0.570 17742 103 1 . 1 1 24 24 ILE N N 354 120.734 120.734 117.879 2.855 17742 104 1 . 1 1 24 24 ILE HA H 354 5.059 5.059 5.004 0.055 17742 105 1 . 1 1 24 24 ILE C C 354 179.332 179.332 173.123 6.209 17742 106 1 . 1 1 24 24 ILE CA C 354 59.831 59.831 60.388 -0.557 17742 107 1 . 1 1 24 24 ILE CB C 354 40.623 40.623 41.968 -1.345 17742 108 1 . 1 1 24 24 ILE H H 354 8.428 8.428 8.799 -0.371 17742 109 1 . 1 1 25 25 ARG N N 355 121.187 121.187 123.024 -1.837 17742 110 1 . 1 1 25 25 ARG HA H 355 4.904 4.904 4.865 0.039 17742 111 1 . 1 1 25 25 ARG C C 355 175.152 175.152 174.159 0.993 17742 112 1 . 1 1 25 25 ARG CA C 355 54.529 54.529 54.445 0.084 17742 113 1 . 1 1 25 25 ARG CB C 355 33.599 33.599 33.602 -0.003 17742 114 1 . 1 1 25 25 ARG H H 355 8.671 8.671 8.901 -0.230 17742 115 1 . 1 1 26 26 TRP N N 356 122.024 122.024 122.826 -0.802 17742 116 1 . 1 1 26 26 TRP HA H 356 4.884 4.884 4.720 0.164 17742 117 1 . 1 1 26 26 TRP C C 356 176.642 176.642 176.721 -0.079 17742 118 1 . 1 1 26 26 TRP CA C 356 57.960 57.960 57.972 -0.012 17742 119 1 . 1 1 26 26 TRP CB C 356 30.634 30.634 29.650 0.984 17742 120 1 . 1 1 26 26 TRP H H 356 9.159 9.159 8.892 0.267 17742 121 1 . 1 1 27 27 GLU N N 357 125.331 125.331 124.178 1.153 17742 122 1 . 1 1 27 27 GLU HA H 357 4.681 4.681 4.471 0.210 17742 123 1 . 1 1 27 27 GLU C C 357 176.775 176.775 176.638 0.137 17742 124 1 . 1 1 27 27 GLU CA C 357 56.990 56.990 57.790 -0.800 17742 125 1 . 1 1 27 27 GLU CB C 357 31.579 31.579 31.012 0.567 17742 126 1 . 1 1 27 27 GLU H H 357 9.504 9.504 8.734 0.770 17742 127 1 . 1 1 28 28 ASP N N 358 116.213 116.213 120.353 -4.140 17742 128 1 . 1 1 28 28 ASP HA H 358 4.771 4.771 4.964 -0.193 17742 129 1 . 1 1 28 28 ASP C C 358 176.167 176.167 175.396 0.771 17742 130 1 . 1 1 28 28 ASP CA C 358 53.541 53.541 53.774 -0.233 17742 131 1 . 1 1 28 28 ASP CB C 358 41.932 41.932 41.845 0.087 17742 132 1 . 1 1 28 28 ASP H H 358 7.846 7.846 8.561 -0.715 17742 133 1 . 1 1 29 29 LYS N N 359 127.762 127.762 124.813 2.949 17742 134 1 . 1 1 29 29 LYS HA H 359 3.157 3.157 3.247 -0.090 17742 135 1 . 1 1 29 29 LYS C C 359 178.776 178.776 177.745 1.031 17742 136 1 . 1 1 29 29 LYS CA C 359 60.229 60.229 59.190 1.039 17742 137 1 . 1 1 29 29 LYS CB C 359 32.734 32.734 32.134 0.600 17742 138 1 . 1 1 29 29 LYS H H 359 9.216 9.216 8.622 0.594 17742 139 1 . 1 1 30 30 GLU N N 360 119.601 119.601 118.133 1.468 17742 140 1 . 1 1 30 30 GLU HA H 360 3.925 3.925 4.032 -0.107 17742 141 1 . 1 1 30 30 GLU C C 360 178.684 178.684 177.682 1.002 17742 142 1 . 1 1 30 30 GLU CA C 360 59.570 59.570 58.778 0.791 17742 143 1 . 1 1 30 30 GLU CB C 360 29.177 29.177 29.388 -0.210 17742 144 1 . 1 1 30 30 GLU H H 360 8.340 8.340 8.368 -0.028 17742 145 1 . 1 1 31 31 SER N N 361 113.301 113.301 113.403 -0.102 17742 146 1 . 1 1 31 31 SER HA H 361 4.494 4.494 4.415 0.079 17742 147 1 . 1 1 31 31 SER C C 361 172.357 172.357 174.416 -2.059 17742 148 1 . 1 1 31 31 SER CA C 361 58.807 58.807 59.396 -0.589 17742 149 1 . 1 1 31 31 SER CB C 361 63.768 63.768 63.596 0.172 17742 150 1 . 1 1 31 31 SER H H 361 7.463 7.463 8.164 -0.701 17742 151 1 . 1 1 32 32 LYS N N 362 115.170 115.170 114.392 0.778 17742 152 1 . 1 1 32 32 LYS HA H 362 3.910 3.910 4.277 -0.367 17742 153 1 . 1 1 32 32 LYS C C 362 175.500 175.500 175.255 0.245 17742 154 1 . 1 1 32 32 LYS CA C 362 57.630 57.630 57.007 0.623 17742 155 1 . 1 1 32 32 LYS CB C 362 29.801 29.801 30.097 -0.295 17742 156 1 . 1 1 32 32 LYS H H 362 7.752 7.752 7.708 0.044 17742 157 1 . 1 1 33 33 ILE N N 363 118.274 118.274 121.050 -2.776 17742 158 1 . 1 1 33 33 ILE HA H 363 5.375 5.375 5.011 0.364 17742 159 1 . 1 1 33 33 ILE C C 363 177.068 177.068 175.771 1.297 17742 160 1 . 1 1 33 33 ILE CA C 363 60.428 60.428 60.197 0.231 17742 161 1 . 1 1 33 33 ILE CB C 363 40.206 40.206 37.613 2.593 17742 162 1 . 1 1 33 33 ILE H H 363 8.262 8.262 8.209 0.053 17742 163 1 . 1 1 34 34 PHE N N 364 128.285 128.285 126.588 1.697 17742 164 1 . 1 1 34 34 PHE HA H 364 5.566 5.566 5.270 0.296 17742 165 1 . 1 1 34 34 PHE C C 364 179.560 179.560 172.987 6.573 17742 166 1 . 1 1 34 34 PHE CA C 364 55.080 55.080 55.151 -0.071 17742 167 1 . 1 1 34 34 PHE CB C 364 44.097 44.097 42.649 1.448 17742 168 1 . 1 1 34 34 PHE H H 364 9.936 9.936 9.243 0.693 17742 169 1 . 1 1 35 35 ARG N N 365 120.953 120.953 123.390 -2.437 17742 170 1 . 1 1 35 35 ARG HA H 365 5.484 5.484 4.586 0.898 17742 171 1 . 1 1 35 35 ARG C C 365 176.522 176.522 174.551 1.971 17742 172 1 . 1 1 35 35 ARG CA C 365 53.584 53.584 53.586 -0.002 17742 173 1 . 1 1 35 35 ARG CB C 365 36.439 36.439 33.685 2.754 17742 174 1 . 1 1 35 35 ARG H H 365 9.430 9.430 9.096 0.334 17742 175 1 . 1 1 36 36 ILE N N 366 125.455 125.455 127.946 -2.491 17742 176 1 . 1 1 36 36 ILE HA H 366 4.201 4.201 4.013 0.188 17742 177 1 . 1 1 36 36 ILE C C 366 173.923 173.923 175.047 -1.124 17742 178 1 . 1 1 36 36 ILE CA C 366 63.110 63.110 62.289 0.821 17742 179 1 . 1 1 36 36 ILE CB C 366 37.964 37.964 37.441 0.523 17742 180 1 . 1 1 36 36 ILE H H 366 8.639 8.639 8.082 0.557 17742 181 1 . 1 1 37 37 VAL N N 367 129.251 129.251 128.029 1.222 17742 182 1 . 1 1 37 37 VAL HA H 367 3.674 3.674 3.861 -0.187 17742 183 1 . 1 1 37 37 VAL C C 367 175.948 175.948 176.016 -0.068 17742 184 1 . 1 1 37 37 VAL CA C 367 64.171 64.171 64.771 -0.600 17742 185 1 . 1 1 37 37 VAL CB C 367 32.870 32.870 32.445 0.425 17742 186 1 . 1 1 37 37 VAL H H 367 7.839 7.839 8.497 -0.658 17742 187 1 . 1 1 38 38 ASP N N 368 114.991 114.991 119.367 -4.376 17742 188 1 . 1 1 38 38 ASP HA H 368 5.213 5.213 5.027 0.186 17742 189 1 . 1 1 38 38 ASP CA C 368 50.242 50.242 50.682 -0.440 17742 190 1 . 1 1 38 38 ASP CB C 368 42.169 42.169 41.911 0.258 17742 191 1 . 1 1 38 38 ASP H H 368 7.279 7.279 8.001 -0.722 17742 192 1 . 1 1 39 39 PRO HA H 369 3.794 3.794 4.371 -0.577 17742 193 1 . 1 1 39 39 PRO C C 369 178.037 178.037 178.276 -0.239 17742 194 1 . 1 1 39 39 PRO CA C 369 65.619 65.619 65.678 -0.059 17742 195 1 . 1 1 39 39 PRO CB C 369 31.057 31.057 31.877 -0.820 17742 196 1 . 1 1 40 40 ASN N N 370 115.439 115.439 116.374 -0.935 17742 197 1 . 1 1 40 40 ASN HA H 370 4.596 4.596 4.618 -0.022 17742 198 1 . 1 1 40 40 ASN C C 370 178.570 178.570 177.785 0.785 17742 199 1 . 1 1 40 40 ASN CA C 370 56.501 56.501 56.271 0.230 17742 200 1 . 1 1 40 40 ASN CB C 370 38.012 38.012 38.016 -0.004 17742 201 1 . 1 1 40 40 ASN H H 370 8.121 8.121 8.475 -0.354 17742 202 1 . 1 1 41 41 GLY N N 371 111.317 111.317 108.713 2.604 17742 203 1 . 1 1 41 41 GLY C C 371 176.090 176.090 176.684 -0.594 17742 204 1 . 1 1 41 41 GLY CA C 371 47.932 47.932 47.007 0.925 17742 205 1 . 1 1 41 41 GLY H H 371 8.622 8.622 8.692 -0.070 17742 206 1 . 1 1 42 42 LEU N N 372 122.892 122.892 123.784 -0.892 17742 207 1 . 1 1 42 42 LEU HA H 372 4.031 4.031 4.287 -0.256 17742 208 1 . 1 1 42 42 LEU C C 372 177.766 177.766 178.884 -1.118 17742 209 1 . 1 1 42 42 LEU CA C 372 57.830 57.830 57.831 -0.001 17742 210 1 . 1 1 42 42 LEU CB C 372 42.132 42.132 41.314 0.818 17742 211 1 . 1 1 42 42 LEU H H 372 8.881 8.881 8.688 0.193 17742 212 1 . 1 1 43 43 ALA N N 373 120.112 120.112 121.609 -1.497 17742 213 1 . 1 1 43 43 ALA HA H 373 4.458 4.458 4.144 0.314 17742 214 1 . 1 1 43 43 ALA C C 373 179.093 179.093 179.984 -0.891 17742 215 1 . 1 1 43 43 ALA CA C 373 55.451 55.451 55.201 0.250 17742 216 1 . 1 1 43 43 ALA CB C 373 18.324 18.324 18.478 -0.154 17742 217 1 . 1 1 43 43 ALA H H 373 8.072 8.072 8.679 -0.607 17742 218 1 . 1 1 44 44 ARG N N 374 117.916 117.916 118.957 -1.041 17742 219 1 . 1 1 44 44 ARG HA H 374 4.093 4.093 4.130 -0.037 17742 220 1 . 1 1 44 44 ARG C C 374 179.473 179.473 179.138 0.335 17742 221 1 . 1 1 44 44 ARG CA C 374 59.372 59.372 59.079 0.293 17742 222 1 . 1 1 44 44 ARG CB C 374 30.114 30.114 29.987 0.127 17742 223 1 . 1 1 44 44 ARG H H 374 7.769 7.769 8.027 -0.258 17742 224 1 . 1 1 45 45 LEU N N 375 121.489 121.489 120.504 0.985 17742 225 1 . 1 1 45 45 LEU HA H 375 4.007 4.007 4.063 -0.056 17742 226 1 . 1 1 45 45 LEU C C 375 180.049 180.049 179.217 0.832 17742 227 1 . 1 1 45 45 LEU CA C 375 58.390 58.390 58.152 0.238 17742 228 1 . 1 1 45 45 LEU CB C 375 41.552 41.552 41.729 -0.177 17742 229 1 . 1 1 45 45 LEU H H 375 7.903 7.903 8.489 -0.586 17742 230 1 . 1 1 46 46 TRP N N 376 121.466 121.466 121.153 0.313 17742 231 1 . 1 1 46 46 TRP HA H 376 4.089 4.089 3.740 0.349 17742 232 1 . 1 1 46 46 TRP C C 376 177.939 177.939 178.423 -0.484 17742 233 1 . 1 1 46 46 TRP CA C 376 60.022 60.022 60.742 -0.720 17742 234 1 . 1 1 46 46 TRP CB C 376 28.817 28.817 29.064 -0.247 17742 235 1 . 1 1 46 46 TRP H H 376 8.633 8.633 8.698 -0.065 17742 236 1 . 1 1 47 47 GLY N N 377 105.142 105.142 106.219 -1.077 17742 237 1 . 1 1 47 47 GLY C C 377 176.128 176.128 175.685 0.443 17742 238 1 . 1 1 47 47 GLY CA C 377 48.035 48.035 47.023 1.012 17742 239 1 . 1 1 47 47 GLY H H 377 8.828 8.828 8.775 0.053 17742 240 1 . 1 1 48 48 ASN N N 378 120.327 120.327 120.981 -0.654 17742 241 1 . 1 1 48 48 ASN HA H 378 4.402 4.402 4.361 0.041 17742 242 1 . 1 1 48 48 ASN C C 378 178.625 178.625 177.489 1.136 17742 243 1 . 1 1 48 48 ASN CA C 378 56.231 56.231 55.739 0.492 17742 244 1 . 1 1 48 48 ASN CB C 378 38.132 38.132 38.386 -0.254 17742 245 1 . 1 1 48 48 ASN H H 378 8.212 8.212 8.175 0.037 17742 246 1 . 1 1 49 49 HIS N N 379 121.871 121.871 119.335 2.536 17742 247 1 . 1 1 49 49 HIS HA H 379 4.205 4.205 4.281 -0.076 17742 248 1 . 1 1 49 49 HIS C C 379 176.086 176.086 176.176 -0.090 17742 249 1 . 1 1 49 49 HIS CA C 379 59.390 59.390 58.394 0.996 17742 250 1 . 1 1 49 49 HIS CB C 379 29.564 29.564 29.642 -0.078 17742 251 1 . 1 1 49 49 HIS H H 379 8.094 8.094 7.547 0.547 17742 252 1 . 1 1 50 50 LYS N N 380 115.181 115.181 116.695 -1.514 17742 253 1 . 1 1 50 50 LYS HA H 380 3.911 3.911 4.100 -0.189 17742 254 1 . 1 1 50 50 LYS C C 380 175.348 175.348 175.206 0.142 17742 255 1 . 1 1 50 50 LYS CA C 380 53.632 53.632 54.512 -0.880 17742 256 1 . 1 1 50 50 LYS CB C 380 30.742 30.742 31.141 -0.399 17742 257 1 . 1 1 50 50 LYS H H 380 7.482 7.482 7.367 0.115 17742 258 1 . 1 1 51 51 ASN N N 381 116.362 116.362 114.279 2.083 17742 259 1 . 1 1 51 51 ASN HA H 381 4.259 4.259 4.160 0.099 17742 260 1 . 1 1 51 51 ASN C C 381 174.400 174.400 174.446 -0.046 17742 261 1 . 1 1 51 51 ASN CA C 381 54.312 54.312 54.255 0.057 17742 262 1 . 1 1 51 51 ASN CB C 381 37.272 37.272 37.118 0.154 17742 263 1 . 1 1 51 51 ASN H H 381 7.753 7.753 7.664 0.089 17742 264 1 . 1 1 52 52 ARG N N 382 117.723 117.723 118.444 -0.721 17742 265 1 . 1 1 52 52 ARG HA H 382 4.658 4.658 4.593 0.065 17742 266 1 . 1 1 52 52 ARG C C 382 176.209 176.209 176.040 0.169 17742 267 1 . 1 1 52 52 ARG CA C 382 53.668 53.668 54.177 -0.509 17742 268 1 . 1 1 52 52 ARG CB C 382 32.212 32.212 31.690 0.522 17742 269 1 . 1 1 52 52 ARG H H 382 8.476 8.476 8.083 0.393 17742 270 1 . 1 1 53 53 THR N N 383 114.109 114.109 114.727 -0.618 17742 271 1 . 1 1 53 53 THR HA H 383 4.221 4.221 4.337 -0.116 17742 272 1 . 1 1 53 53 THR C C 383 174.644 174.644 175.081 -0.437 17742 273 1 . 1 1 53 53 THR CA C 383 62.187 62.187 62.812 -0.625 17742 274 1 . 1 1 53 53 THR CB C 383 69.710 69.710 69.607 0.102 17742 275 1 . 1 1 53 53 THR H H 383 8.333 8.333 8.523 -0.190 17742 276 1 . 1 1 54 54 ASN N N 384 118.768 118.768 120.252 -1.484 17742 277 1 . 1 1 54 54 ASN HA H 384 4.609 4.609 4.720 -0.111 17742 278 1 . 1 1 54 54 ASN C C 384 174.975 174.975 173.905 1.070 17742 279 1 . 1 1 54 54 ASN CA C 384 53.193 53.193 53.032 0.161 17742 280 1 . 1 1 54 54 ASN CB C 384 37.632 37.632 37.557 0.075 17742 281 1 . 1 1 54 54 ASN H H 384 8.521 8.521 8.441 0.080 17742 282 1 . 1 1 55 55 MET N N 385 119.621 119.621 121.312 -1.691 17742 283 1 . 1 1 55 55 MET HA H 385 4.566 4.566 4.655 -0.089 17742 284 1 . 1 1 55 55 MET C C 385 175.078 175.078 174.992 0.086 17742 285 1 . 1 1 55 55 MET CA C 385 55.298 55.298 55.028 0.270 17742 286 1 . 1 1 55 55 MET CB C 385 31.244 31.244 34.076 -2.832 17742 287 1 . 1 1 55 55 MET H H 385 8.162 8.162 7.861 0.300 17742 288 1 . 1 1 56 56 THR N N 386 113.114 113.114 120.206 -7.092 17742 289 1 . 1 1 56 56 THR HA H 386 4.824 4.824 4.705 0.119 17742 290 1 . 1 1 56 56 THR C C 386 175.549 175.549 174.881 0.668 17742 291 1 . 1 1 56 56 THR CA C 386 59.060 59.060 61.025 -1.965 17742 292 1 . 1 1 56 56 THR CB C 386 72.290 72.290 71.175 1.115 17742 293 1 . 1 1 56 56 THR H H 386 7.031 7.031 8.052 -1.021 17742 294 1 . 1 1 57 57 TYR N N 387 123.401 123.401 125.329 -1.928 17742 295 1 . 1 1 57 57 TYR HA H 387 4.134 4.134 4.144 -0.010 17742 296 1 . 1 1 57 57 TYR C C 387 177.304 177.304 177.261 0.043 17742 297 1 . 1 1 57 57 TYR CA C 387 62.300 62.300 63.144 -0.844 17742 298 1 . 1 1 57 57 TYR CB C 387 37.359 37.359 38.697 -1.338 17742 299 1 . 1 1 57 57 TYR H H 387 9.691 9.691 9.126 0.565 17742 300 1 . 1 1 58 58 GLU N N 388 120.999 120.999 117.429 3.570 17742 301 1 . 1 1 58 58 GLU HA H 388 3.823 3.823 4.096 -0.273 17742 302 1 . 1 1 58 58 GLU C C 388 179.213 179.213 178.662 0.551 17742 303 1 . 1 1 58 58 GLU CA C 388 60.477 60.477 59.728 0.749 17742 304 1 . 1 1 58 58 GLU CB C 388 28.895 28.895 28.827 0.068 17742 305 1 . 1 1 58 58 GLU H H 388 8.838 8.838 9.047 -0.209 17742 306 1 . 1 1 59 59 LYS N N 389 118.962 118.962 117.366 1.596 17742 307 1 . 1 1 59 59 LYS HA H 389 3.939 3.939 4.179 -0.240 17742 308 1 . 1 1 59 59 LYS C C 389 178.797 178.797 178.525 0.272 17742 309 1 . 1 1 59 59 LYS CA C 389 60.065 60.065 58.630 1.436 17742 310 1 . 1 1 59 59 LYS CB C 389 33.378 33.378 32.608 0.770 17742 311 1 . 1 1 59 59 LYS H H 389 7.506 7.506 7.777 -0.271 17742 312 1 . 1 1 60 60 MET N N 390 120.087 120.087 119.352 0.735 17742 313 1 . 1 1 60 60 MET HA H 390 3.869 3.869 4.338 -0.469 17742 314 1 . 1 1 60 60 MET C C 390 178.146 178.146 177.429 0.717 17742 315 1 . 1 1 60 60 MET CA C 390 59.776 59.776 58.042 1.734 17742 316 1 . 1 1 60 60 MET CB C 390 33.462 33.462 33.173 0.289 17742 317 1 . 1 1 60 60 MET H H 390 8.051 8.051 7.929 0.122 17742 318 1 . 1 1 61 61 SER N N 391 114.537 114.537 115.513 -0.976 17742 319 1 . 1 1 61 61 SER HA H 391 3.786 3.786 3.844 -0.058 17742 320 1 . 1 1 61 61 SER C C 391 176.380 176.380 176.119 0.261 17742 321 1 . 1 1 61 61 SER CA C 391 61.600 61.600 61.111 0.489 17742 322 1 . 1 1 61 61 SER CB C 391 62.251 62.251 62.681 -0.430 17742 323 1 . 1 1 61 61 SER H H 391 8.853 8.853 8.608 0.245 17742 324 1 . 1 1 62 62 ARG N N 392 122.214 122.214 121.311 0.903 17742 325 1 . 1 1 62 62 ARG HA H 392 3.928 3.928 4.025 -0.097 17742 326 1 . 1 1 62 62 ARG C C 392 178.732 178.732 178.076 0.656 17742 327 1 . 1 1 62 62 ARG CA C 392 59.490 59.490 58.604 0.886 17742 328 1 . 1 1 62 62 ARG CB C 392 30.207 30.207 29.435 0.772 17742 329 1 . 1 1 62 62 ARG H H 392 7.471 7.471 7.719 -0.248 17742 330 1 . 1 1 63 63 ALA N N 393 121.091 121.091 121.114 -0.023 17742 331 1 . 1 1 63 63 ALA HA H 393 4.162 4.162 4.188 -0.026 17742 332 1 . 1 1 63 63 ALA C C 393 179.699 179.699 179.184 0.515 17742 333 1 . 1 1 63 63 ALA CA C 393 54.722 54.722 54.307 0.415 17742 334 1 . 1 1 63 63 ALA CB C 393 18.154 18.154 18.322 -0.168 17742 335 1 . 1 1 63 63 ALA H H 393 7.376 7.376 7.409 -0.033 17742 336 1 . 1 1 64 64 LEU N N 394 117.568 117.568 118.520 -0.952 17742 337 1 . 1 1 64 64 LEU HA H 394 3.777 3.777 3.015 0.762 17742 338 1 . 1 1 64 64 LEU C C 394 178.085 178.085 178.275 -0.190 17742 339 1 . 1 1 64 64 LEU CA C 394 58.075 58.075 56.635 1.440 17742 340 1 . 1 1 64 64 LEU CB C 394 41.052 41.052 41.081 -0.029 17742 341 1 . 1 1 64 64 LEU H H 394 7.853 7.853 6.963 0.890 17742 342 1 . 1 1 65 65 ARG N N 395 116.111 116.111 118.336 -2.225 17742 343 1 . 1 1 65 65 ARG HA H 395 3.529 3.529 3.947 -0.418 17742 344 1 . 1 1 65 65 ARG C C 395 179.519 179.519 178.612 0.907 17742 345 1 . 1 1 65 65 ARG CA C 395 59.133 59.133 58.739 0.394 17742 346 1 . 1 1 65 65 ARG CB C 395 30.004 30.004 29.358 0.646 17742 347 1 . 1 1 65 65 ARG H H 395 7.521 7.521 8.054 -0.533 17742 348 1 . 1 1 66 66 HIS N N 396 118.081 118.081 117.099 0.982 17742 349 1 . 1 1 66 66 HIS HA H 396 4.436 4.436 4.472 -0.036 17742 350 1 . 1 1 66 66 HIS C C 396 177.826 177.826 177.823 0.003 17742 351 1 . 1 1 66 66 HIS CA C 396 59.063 59.063 59.613 -0.550 17742 352 1 . 1 1 66 66 HIS CB C 396 30.154 30.154 29.969 0.185 17742 353 1 . 1 1 66 66 HIS H H 396 7.241 7.241 7.599 -0.358 17742 354 1 . 1 1 67 67 TYR N N 397 116.301 116.301 119.173 -2.872 17742 355 1 . 1 1 67 67 TYR HA H 397 4.128 4.128 4.245 -0.117 17742 356 1 . 1 1 67 67 TYR C C 397 179.075 179.075 178.009 1.066 17742 357 1 . 1 1 67 67 TYR CA C 397 61.525 61.525 59.138 2.387 17742 358 1 . 1 1 67 67 TYR CB C 397 37.522 37.522 36.608 0.914 17742 359 1 . 1 1 67 67 TYR H H 397 7.532 7.532 7.609 -0.077 17742 360 1 . 1 1 68 68 TYR N N 398 121.389 121.389 117.715 3.674 17742 361 1 . 1 1 68 68 TYR HA H 398 5.474 5.474 4.718 0.756 17742 362 1 . 1 1 68 68 TYR C C 398 172.285 172.285 178.090 -5.805 17742 363 1 . 1 1 68 68 TYR CA C 398 57.651 57.651 59.645 -1.993 17742 364 1 . 1 1 68 68 TYR CB C 398 37.055 37.055 37.597 -0.542 17742 365 1 . 1 1 68 68 TYR H H 398 8.061 8.061 7.566 0.495 17742 366 1 . 1 1 69 69 LYS N N 399 121.098 121.098 118.256 2.842 17742 367 1 . 1 1 69 69 LYS HA H 399 4.125 4.125 4.243 -0.118 17742 368 1 . 1 1 69 69 LYS C C 399 178.122 178.122 178.037 0.085 17742 369 1 . 1 1 69 69 LYS CA C 399 58.801 58.801 57.353 1.448 17742 370 1 . 1 1 69 69 LYS CB C 399 32.242 32.242 32.228 0.014 17742 371 1 . 1 1 69 69 LYS H H 399 7.799 7.799 7.712 0.087 17742 372 1 . 1 1 70 70 LEU N N 400 116.117 116.117 118.048 -1.931 17742 373 1 . 1 1 70 70 LEU HA H 400 4.312 4.312 4.290 0.022 17742 374 1 . 1 1 70 70 LEU C C 400 175.903 175.903 176.327 -0.424 17742 375 1 . 1 1 70 70 LEU CA C 400 54.642 54.642 55.093 -0.451 17742 376 1 . 1 1 70 70 LEU CB C 400 42.796 42.796 41.574 1.222 17742 377 1 . 1 1 70 70 LEU H H 400 7.257 7.257 8.097 -0.840 17742 378 1 . 1 1 71 71 ASN N N 401 115.181 115.181 113.261 1.920 17742 379 1 . 1 1 71 71 ASN HA H 401 4.368 4.368 4.395 -0.027 17742 380 1 . 1 1 71 71 ASN C C 401 173.597 173.597 175.670 -2.073 17742 381 1 . 1 1 71 71 ASN CA C 401 54.622 54.622 54.316 0.306 17742 382 1 . 1 1 71 71 ASN CB C 401 37.252 37.252 36.417 0.835 17742 383 1 . 1 1 71 71 ASN H H 401 8.061 8.061 7.903 0.158 17742 384 1 . 1 1 72 72 ILE N N 402 114.031 114.031 117.391 -3.360 17742 385 1 . 1 1 72 72 ILE HA H 402 4.128 4.128 3.926 0.202 17742 386 1 . 1 1 72 72 ILE C C 402 176.467 176.467 175.468 0.999 17742 387 1 . 1 1 72 72 ILE CA C 402 63.720 63.720 64.215 -0.495 17742 388 1 . 1 1 72 72 ILE CB C 402 40.491 40.491 39.042 1.449 17742 389 1 . 1 1 72 72 ILE H H 402 8.104 8.104 8.227 -0.123 17742 390 1 . 1 1 73 73 ILE N N 403 116.973 116.973 117.004 -0.031 17742 391 1 . 1 1 73 73 ILE HA H 403 5.014 5.014 5.226 -0.213 17742 392 1 . 1 1 73 73 ILE C C 403 174.039 174.039 174.017 0.022 17742 393 1 . 1 1 73 73 ILE CA C 403 59.357 59.357 59.451 -0.094 17742 394 1 . 1 1 73 73 ILE CB C 403 43.362 43.362 41.664 1.698 17742 395 1 . 1 1 73 73 ILE H H 403 7.099 7.099 7.460 -0.360 17742 396 1 . 1 1 74 74 ARG N N 404 123.639 123.639 125.261 -1.622 17742 397 1 . 1 1 74 74 ARG HA H 404 4.771 4.771 4.905 -0.134 17742 398 1 . 1 1 74 74 ARG C C 404 174.917 174.917 174.191 0.726 17742 399 1 . 1 1 74 74 ARG CA C 404 54.261 54.261 54.097 0.164 17742 400 1 . 1 1 74 74 ARG CB C 404 34.689 34.689 33.611 1.078 17742 401 1 . 1 1 74 74 ARG H H 404 8.983 8.983 8.499 0.484 17742 402 1 . 1 1 75 75 LYS N N 405 125.665 125.665 121.932 3.733 17742 403 1 . 1 1 75 75 LYS HA H 405 4.071 4.071 4.667 -0.596 17742 404 1 . 1 1 75 75 LYS C C 405 176.525 176.525 176.322 0.203 17742 405 1 . 1 1 75 75 LYS CA C 405 56.470 56.470 55.896 0.574 17742 406 1 . 1 1 75 75 LYS CB C 405 32.649 32.649 33.232 -0.583 17742 407 1 . 1 1 75 75 LYS H H 405 8.263 8.263 8.426 -0.163 17742 408 1 . 1 1 76 76 GLU N N 406 128.072 128.072 124.681 3.391 17742 409 1 . 1 1 76 76 GLU HA H 406 4.432 4.432 4.415 0.017 17742 410 1 . 1 1 76 76 GLU CA C 406 53.747 53.747 54.324 -0.577 17742 411 1 . 1 1 76 76 GLU CB C 406 29.914 29.914 29.380 0.534 17742 412 1 . 1 1 76 76 GLU H H 406 8.024 8.024 8.651 -0.627 17742 413 1 . 1 1 77 77 PRO HA H 407 4.282 4.282 4.252 0.030 17742 414 1 . 1 1 77 77 PRO C C 407 177.719 177.719 177.561 0.158 17742 415 1 . 1 1 77 77 PRO CA C 407 63.407 63.407 64.106 -0.699 17742 416 1 . 1 1 77 77 PRO CB C 407 32.184 32.184 31.263 0.921 17742 417 1 . 1 1 78 78 GLY N N 408 109.716 109.716 112.655 -2.939 17742 418 1 . 1 1 78 78 GLY C C 408 174.053 174.053 174.078 -0.025 17742 419 1 . 1 1 78 78 GLY CA C 408 45.519 45.519 44.978 0.541 17742 420 1 . 1 1 78 78 GLY H H 408 8.531 8.531 8.633 -0.102 17742 421 1 . 1 1 79 79 GLN N N 409 116.964 116.964 118.799 -1.835 17742 422 1 . 1 1 79 79 GLN HA H 409 4.488 4.488 4.614 -0.126 17742 423 1 . 1 1 79 79 GLN C C 409 175.390 175.390 175.530 -0.140 17742 424 1 . 1 1 79 79 GLN CA C 409 54.359 54.359 54.380 -0.021 17742 425 1 . 1 1 79 79 GLN CB C 409 31.202 31.202 30.912 0.290 17742 426 1 . 1 1 79 79 GLN H H 409 7.559 7.559 7.731 -0.172 17742 427 1 . 1 1 80 80 ARG N N 410 120.457 120.457 121.106 -0.649 17742 428 1 . 1 1 80 80 ARG HA H 410 4.262 4.262 4.225 0.037 17742 429 1 . 1 1 80 80 ARG C C 410 176.270 176.270 177.105 -0.835 17742 430 1 . 1 1 80 80 ARG CA C 410 56.821 56.821 56.966 -0.145 17742 431 1 . 1 1 80 80 ARG CB C 410 31.502 31.502 29.664 1.838 17742 432 1 . 1 1 80 80 ARG H H 410 8.251 8.251 8.542 -0.291 17742 433 1 . 1 1 81 81 LEU N N 411 119.348 119.348 120.681 -1.333 17742 434 1 . 1 1 81 81 LEU HA H 411 4.023 4.023 4.439 -0.416 17742 435 1 . 1 1 81 81 LEU C C 411 173.279 173.279 175.430 -2.151 17742 436 1 . 1 1 81 81 LEU CA C 411 55.030 55.030 53.724 1.306 17742 437 1 . 1 1 81 81 LEU CB C 411 40.335 40.335 41.068 -0.733 17742 438 1 . 1 1 81 81 LEU H H 411 8.435 8.435 8.164 0.271 17742 439 1 . 1 1 82 82 LEU N N 412 119.070 119.070 121.575 -2.505 17742 440 1 . 1 1 82 82 LEU HA H 412 5.013 5.013 4.308 0.705 17742 441 1 . 1 1 82 82 LEU C C 412 175.361 175.361 175.734 -0.373 17742 442 1 . 1 1 82 82 LEU CA C 412 53.212 53.212 54.088 -0.876 17742 443 1 . 1 1 82 82 LEU CB C 412 45.471 45.471 41.355 4.116 17742 444 1 . 1 1 82 82 LEU H H 412 6.751 6.751 7.419 -0.668 17742 445 1 . 1 1 83 83 PHE N N 413 122.184 122.184 124.690 -2.506 17742 446 1 . 1 1 83 83 PHE HA H 413 4.865 4.865 5.430 -0.565 17742 447 1 . 1 1 83 83 PHE C C 413 172.849 172.849 174.653 -1.804 17742 448 1 . 1 1 83 83 PHE CA C 413 55.921 55.921 54.357 1.564 17742 449 1 . 1 1 83 83 PHE CB C 413 44.569 44.569 42.587 1.982 17742 450 1 . 1 1 83 83 PHE H H 413 8.661 8.661 8.930 -0.269 17742 451 1 . 1 1 84 84 ARG N N 414 119.461 119.461 119.832 -0.371 17742 452 1 . 1 1 84 84 ARG HA H 414 5.581 5.581 5.293 0.288 17742 453 1 . 1 1 84 84 ARG C C 414 177.641 177.641 174.881 2.760 17742 454 1 . 1 1 84 84 ARG CA C 414 54.239 54.239 55.307 -1.068 17742 455 1 . 1 1 84 84 ARG CB C 414 36.198 36.198 34.042 2.156 17742 456 1 . 1 1 84 84 ARG H H 414 9.098 9.098 8.952 0.146 17742 457 1 . 1 1 85 85 PHE N N 415 124.274 124.274 127.901 -3.627 17742 458 1 . 1 1 85 85 PHE HA H 415 5.027 5.027 5.068 -0.041 17742 459 1 . 1 1 85 85 PHE C C 415 176.117 176.117 176.191 -0.074 17742 460 1 . 1 1 85 85 PHE CA C 415 59.657 59.657 59.183 0.474 17742 461 1 . 1 1 85 85 PHE CB C 415 40.819 40.819 38.490 2.329 17742 462 1 . 1 1 85 85 PHE H H 415 8.928 8.928 9.530 -0.602 17742 463 1 . 1 1 86 86 MET N N 416 121.081 121.081 122.887 -1.806 17742 464 1 . 1 1 86 86 MET HA H 416 4.656 4.656 4.339 0.317 17742 465 1 . 1 1 86 86 MET C C 416 176.444 176.444 176.535 -0.091 17742 466 1 . 1 1 86 86 MET CA C 416 54.681 54.681 57.325 -2.644 17742 467 1 . 1 1 86 86 MET CB C 416 31.698 31.698 32.757 -1.059 17742 468 1 . 1 1 86 86 MET H H 416 8.676 8.676 8.683 -0.007 17742 469 1 . 1 1 87 87 LYS N N 417 117.772 117.772 114.314 3.458 17742 470 1 . 1 1 87 87 LYS HA H 417 4.899 4.899 4.729 0.170 17742 471 1 . 1 1 87 87 LYS C C 417 175.621 175.621 175.082 0.539 17742 472 1 . 1 1 87 87 LYS CA C 417 54.522 54.522 54.636 -0.114 17742 473 1 . 1 1 87 87 LYS CB C 417 37.905 37.905 35.611 2.294 17742 474 1 . 1 1 87 87 LYS H H 417 7.624 7.624 7.409 0.215 17742 475 1 . 1 1 88 88 THR N N 418 112.426 112.426 111.049 1.377 17742 476 1 . 1 1 88 88 THR HA H 418 4.372 4.372 4.435 -0.063 17742 477 1 . 1 1 88 88 THR CA C 418 59.786 59.786 58.452 1.334 17742 478 1 . 1 1 88 88 THR CB C 418 68.040 68.040 68.540 -0.500 17742 479 1 . 1 1 88 88 THR H H 418 8.787 8.787 9.126 -0.339 17742 480 1 . 1 1 89 89 PRO HA H 419 3.654 3.654 3.127 0.527 17742 481 1 . 1 1 89 89 PRO C C 419 177.412 177.412 178.451 -1.039 17742 482 1 . 1 1 89 89 PRO CA C 419 65.712 65.712 66.447 -0.735 17742 483 1 . 1 1 89 89 PRO CB C 419 31.762 31.762 31.667 0.095 17742 484 1 . 1 1 90 90 ASP N N 420 114.221 114.221 114.522 -0.301 17742 485 1 . 1 1 90 90 ASP HA H 420 4.224 4.224 4.302 -0.078 17742 486 1 . 1 1 90 90 ASP C C 420 178.341 178.341 177.480 0.861 17742 487 1 . 1 1 90 90 ASP CA C 420 56.657 56.657 56.702 -0.045 17742 488 1 . 1 1 90 90 ASP CB C 420 40.642 40.642 40.613 0.029 17742 489 1 . 1 1 90 90 ASP H H 420 7.958 7.958 8.473 -0.515 17742 490 1 . 1 1 91 91 GLU N N 421 119.443 119.443 117.627 1.816 17742 491 1 . 1 1 91 91 GLU HA H 421 4.006 4.006 4.050 -0.044 17742 492 1 . 1 1 91 91 GLU C C 421 179.238 179.238 178.738 0.500 17742 493 1 . 1 1 91 91 GLU CA C 421 58.458 58.458 58.397 0.061 17742 494 1 . 1 1 91 91 GLU CB C 421 30.774 30.774 29.855 0.919 17742 495 1 . 1 1 91 91 GLU H H 421 7.628 7.628 7.553 0.075 17742 496 1 . 1 1 92 92 ILE N N 422 120.617 120.617 120.090 0.527 17742 497 1 . 1 1 92 92 ILE HA H 422 3.589 3.589 3.551 0.038 17742 498 1 . 1 1 92 92 ILE C C 422 178.124 178.124 177.165 0.959 17742 499 1 . 1 1 92 92 ILE CA C 422 63.878 63.878 64.487 -0.609 17742 500 1 . 1 1 92 92 ILE CB C 422 38.142 38.142 37.631 0.511 17742 501 1 . 1 1 92 92 ILE H H 422 7.896 7.896 7.623 0.273 17742 502 1 . 1 1 93 93 MET N N 423 117.857 117.857 116.627 1.230 17742 503 1 . 1 1 93 93 MET HA H 423 4.365 4.365 4.285 0.080 17742 504 1 . 1 1 93 93 MET C C 423 177.009 177.009 177.031 -0.022 17742 505 1 . 1 1 93 93 MET CA C 423 56.527 56.527 57.430 -0.903 17742 506 1 . 1 1 93 93 MET CB C 423 32.617 32.617 32.125 0.492 17742 507 1 . 1 1 93 93 MET H H 423 8.161 8.161 8.042 0.119 17742 508 1 . 1 1 94 94 SER N N 424 114.591 114.591 113.878 0.713 17742 509 1 . 1 1 94 94 SER HA H 424 4.406 4.406 4.369 0.037 17742 510 1 . 1 1 94 94 SER C C 424 175.262 175.262 174.907 0.355 17742 511 1 . 1 1 94 94 SER CA C 424 59.482 59.482 58.803 0.678 17742 512 1 . 1 1 94 94 SER CB C 424 63.466 63.466 63.235 0.231 17742 513 1 . 1 1 94 94 SER H H 424 7.744 7.744 7.585 0.159 17742 514 1 . 1 1 95 95 GLY N N 425 109.590 109.590 108.651 0.939 17742 515 1 . 1 1 95 95 GLY C C 425 174.197 174.197 174.875 -0.678 17742 516 1 . 1 1 95 95 GLY CA C 425 45.122 45.122 45.310 -0.188 17742 517 1 . 1 1 95 95 GLY H H 425 7.970 7.970 7.687 0.283 17742 518 1 . 1 1 96 96 ARG N N 426 119.792 119.792 120.633 -0.841 17742 519 1 . 1 1 96 96 ARG HA H 426 4.567 4.567 4.641 -0.074 17742 520 1 . 1 1 96 96 ARG C C 426 177.866 177.866 177.431 0.435 17742 521 1 . 1 1 96 96 ARG CA C 426 55.757 55.757 55.519 0.238 17742 522 1 . 1 1 96 96 ARG CB C 426 30.059 30.059 29.834 0.225 17742 523 1 . 1 1 96 96 ARG H H 426 8.144 8.144 8.051 0.093 17742 524 1 . 1 1 97 97 THR N N 427 114.770 114.770 112.653 2.117 17742 525 1 . 1 1 97 97 THR HA H 427 4.221 4.221 4.255 -0.034 17742 526 1 . 1 1 97 97 THR C C 427 175.449 175.449 175.468 -0.019 17742 527 1 . 1 1 97 97 THR CA C 427 63.411 63.411 65.697 -2.286 17742 528 1 . 1 1 97 97 THR CB C 427 69.080 69.080 68.526 0.554 17742 529 1 . 1 1 97 97 THR H H 427 8.427 8.427 7.958 0.469 17742 530 1 . 1 1 98 98 ASP N N 428 122.017 122.017 121.943 0.074 17742 531 1 . 1 1 98 98 ASP HA H 428 4.404 4.404 4.361 0.043 17742 532 1 . 1 1 98 98 ASP C C 428 178.042 178.042 178.179 -0.137 17742 533 1 . 1 1 98 98 ASP CA C 428 56.438 56.438 57.458 -1.020 17742 534 1 . 1 1 98 98 ASP CB C 428 40.012 40.012 40.046 -0.034 17742 535 1 . 1 1 98 98 ASP H H 428 8.659 8.659 8.379 0.280 17742 536 1 . 1 1 99 99 ARG N N 429 120.083 120.083 119.564 0.519 17742 537 1 . 1 1 99 99 ARG HA H 429 4.190 4.190 4.161 0.029 17742 538 1 . 1 1 99 99 ARG C C 429 178.236 178.236 178.389 -0.153 17742 539 1 . 1 1 99 99 ARG CA C 429 58.307 58.307 58.738 -0.431 17742 540 1 . 1 1 99 99 ARG CB C 429 30.073 30.073 30.159 -0.086 17742 541 1 . 1 1 99 99 ARG H H 429 8.011 8.011 7.807 0.204 17742 542 1 . 1 1 100 100 LEU N N 430 119.784 119.784 120.543 -0.759 17742 543 1 . 1 1 100 100 LEU HA H 430 4.048 4.048 4.071 -0.023 17742 544 1 . 1 1 100 100 LEU C C 430 178.209 178.209 178.815 -0.606 17742 545 1 . 1 1 100 100 LEU CA C 430 57.535 57.535 57.914 -0.379 17742 546 1 . 1 1 100 100 LEU CB C 430 42.218 42.218 41.760 0.458 17742 547 1 . 1 1 100 100 LEU H H 430 7.667 7.667 7.614 0.053 17742 548 1 . 1 1 101 101 GLU N N 431 119.434 119.434 118.099 1.335 17742 549 1 . 1 1 101 101 GLU HA H 431 3.962 3.962 4.006 -0.044 17742 550 1 . 1 1 101 101 GLU C C 431 178.773 178.773 179.035 -0.262 17742 551 1 . 1 1 101 101 GLU CA C 431 59.470 59.470 59.522 -0.052 17742 552 1 . 1 1 101 101 GLU CB C 431 29.667 29.667 29.404 0.263 17742 553 1 . 1 1 101 101 GLU H H 431 8.339 8.339 8.750 -0.411 17742 554 1 . 1 1 102 102 HIS N N 432 118.026 118.026 118.393 -0.367 17742 555 1 . 1 1 102 102 HIS HA H 432 4.463 4.463 4.440 0.023 17742 556 1 . 1 1 102 102 HIS C C 432 177.322 177.322 177.442 -0.120 17742 557 1 . 1 1 102 102 HIS CA C 432 58.432 58.432 58.727 -0.295 17742 558 1 . 1 1 102 102 HIS CB C 432 29.237 29.237 30.399 -1.162 17742 559 1 . 1 1 102 102 HIS H H 432 7.995 7.995 7.568 0.427 17742 560 1 . 1 1 103 103 LEU N N 433 120.785 120.785 121.116 -0.331 17742 561 1 . 1 1 103 103 LEU HA H 433 3.971 3.971 4.147 -0.176 17742 562 1 . 1 1 103 103 LEU C C 433 179.014 179.014 178.526 0.488 17742 563 1 . 1 1 103 103 LEU CA C 433 57.570 57.570 57.420 0.150 17742 564 1 . 1 1 103 103 LEU CB C 433 41.606 41.606 41.309 0.297 17742 565 1 . 1 1 103 103 LEU H H 433 8.077 8.077 8.221 -0.144 17742 566 1 . 1 1 104 104 GLU N N 434 119.107 119.107 119.133 -0.026 17742 567 1 . 1 1 104 104 GLU HA H 434 4.025 4.025 3.998 0.027 17742 568 1 . 1 1 104 104 GLU C C 434 178.187 178.187 178.998 -0.811 17742 569 1 . 1 1 104 104 GLU CA C 434 60.221 60.221 60.101 0.120 17742 570 1 . 1 1 104 104 GLU CB C 434 30.104 30.104 29.315 0.789 17742 571 1 . 1 1 104 104 GLU H H 434 8.443 8.443 8.752 -0.309 17742 572 1 . 1 1 105 105 SER N N 435 114.129 114.129 112.759 1.370 17742 573 1 . 1 1 105 105 SER HA H 435 4.204 4.204 4.113 0.091 17742 574 1 . 1 1 105 105 SER C C 435 175.924 175.924 175.822 0.102 17742 575 1 . 1 1 105 105 SER CA C 435 61.303 61.303 61.156 0.147 17742 576 1 . 1 1 105 105 SER CB C 435 63.070 63.070 62.871 0.199 17742 577 1 . 1 1 105 105 SER H H 435 8.041 8.041 8.135 -0.094 17742 578 1 . 1 1 106 106 GLN N N 436 120.201 120.201 120.067 0.134 17742 579 1 . 1 1 106 106 GLN HA H 436 4.124 4.124 4.165 -0.041 17742 580 1 . 1 1 106 106 GLN C C 436 178.242 178.242 178.314 -0.072 17742 581 1 . 1 1 106 106 GLN CA C 436 58.242 58.242 58.071 0.171 17742 582 1 . 1 1 106 106 GLN CB C 436 29.001 29.001 29.200 -0.199 17742 583 1 . 1 1 106 106 GLN H H 436 7.823 7.823 7.629 0.194 17742 584 1 . 1 1 107 107 VAL N N 437 117.503 117.503 120.533 -3.030 17742 585 1 . 1 1 107 107 VAL HA H 437 3.955 3.955 4.027 -0.072 17742 586 1 . 1 1 107 107 VAL C C 437 177.462 177.462 177.039 0.423 17742 587 1 . 1 1 107 107 VAL CA C 437 64.414 64.414 65.401 -0.987 17742 588 1 . 1 1 107 107 VAL CB C 437 32.192 32.192 31.891 0.301 17742 589 1 . 1 1 107 107 VAL H H 437 7.711 7.711 8.516 -0.806 17742 590 1 . 1 1 108 108 LEU HA H 438 4.072 4.072 4.198 -0.126 17742 591 1 . 1 1 108 108 LEU C C 438 177.614 177.614 177.227 0.387 17742 592 1 . 1 1 108 108 LEU CA C 438 56.521 56.521 55.956 0.565 17742 593 1 . 1 1 108 108 LEU CB C 438 42.149 42.149 41.410 0.739 17742 594 1 . 1 1 109 109 ASP N N 439 118.500 118.500 117.364 1.136 17742 595 1 . 1 1 109 109 ASP HA H 439 4.685 4.685 4.683 0.002 17742 596 1 . 1 1 109 109 ASP C C 439 176.372 176.372 177.078 -0.706 17742 597 1 . 1 1 109 109 ASP CA C 439 54.653 54.653 54.110 0.543 17742 598 1 . 1 1 109 109 ASP CB C 439 41.425 41.425 41.926 -0.501 17742 599 1 . 1 1 109 109 ASP H H 439 7.872 7.872 7.791 0.081 17742 600 1 . 1 1 110 110 GLU N N 440 120.701 120.701 118.791 1.910 17742 601 1 . 1 1 110 110 GLU HA H 440 4.188 4.188 4.056 0.132 17742 602 1 . 1 1 110 110 GLU C C 440 176.739 176.739 177.109 -0.370 17742 603 1 . 1 1 110 110 GLU CA C 440 57.310 57.310 58.575 -1.265 17742 604 1 . 1 1 110 110 GLU CB C 440 30.091 30.091 29.946 0.145 17742 605 1 . 1 1 110 110 GLU H H 440 7.929 7.929 8.135 -0.206 17742 606 1 . 1 1 111 111 GLN N N 441 120.829 120.829 117.052 3.777 17742 607 1 . 1 1 111 111 GLN HA H 441 4.341 4.341 4.406 -0.065 17742 608 1 . 1 1 111 111 GLN C C 441 176.214 176.214 176.257 -0.043 17742 609 1 . 1 1 111 111 GLN CA C 441 56.103 56.103 55.155 0.948 17742 610 1 . 1 1 111 111 GLN CB C 441 29.607 29.607 29.346 0.261 17742 611 1 . 1 1 111 111 GLN H H 441 8.434 8.434 7.907 0.527 17742 612 1 . 1 1 112 112 THR N N 442 114.861 114.861 115.331 -0.470 17742 613 1 . 1 1 112 112 THR HA H 442 4.258 4.258 4.178 0.080 17742 614 1 . 1 1 112 112 THR C C 442 174.095 174.095 175.396 -1.301 17742 615 1 . 1 1 112 112 THR CA C 442 62.140 62.140 63.260 -1.120 17742 616 1 . 1 1 112 112 THR CB C 442 69.870 69.870 69.215 0.656 17742 617 1 . 1 1 112 112 THR H H 442 8.038 8.038 8.407 -0.369 17742 618 1 . 1 1 113 113 TYR N N 443 122.709 122.709 117.977 4.732 17742 619 1 . 1 1 113 113 TYR HA H 443 4.552 4.552 4.525 0.027 17742 620 1 . 1 1 113 113 TYR C C 443 175.303 175.303 174.730 0.573 17742 621 1 . 1 1 113 113 TYR CA C 443 57.921 57.921 56.350 1.571 17742 622 1 . 1 1 113 113 TYR CB C 443 38.982 38.982 36.854 2.128 17742 623 1 . 1 1 113 113 TYR H H 443 8.171 8.171 8.047 0.124 17742 624 1 . 1 1 114 114 GLN N N 444 122.768 122.768 118.163 4.605 17742 625 1 . 1 1 114 114 GLN HA H 444 4.284 4.284 3.872 0.412 17742 626 1 . 1 1 114 114 GLN C C 444 175.372 175.372 174.838 0.534 17742 627 1 . 1 1 114 114 GLN CA C 444 55.543 55.543 56.200 -0.657 17742 628 1 . 1 1 114 114 GLN CB C 444 29.894 29.894 27.340 2.554 17742 629 1 . 1 1 114 114 GLN H H 444 8.202 8.202 8.149 0.053 17742 630 1 . 1 1 115 115 GLU N N 445 122.370 122.370 119.973 2.397 17742 631 1 . 1 1 115 115 GLU HA H 445 4.225 4.225 3.597 0.628 17742 632 1 . 1 1 115 115 GLU C C 445 176.058 176.058 175.737 0.321 17742 633 1 . 1 1 115 115 GLU CA C 445 56.612 56.612 56.328 0.284 17742 634 1 . 1 1 115 115 GLU CB C 445 30.517 30.517 29.472 1.045 17742 635 1 . 1 1 115 115 GLU H H 445 8.371 8.371 7.760 0.611 17742 636 1 . 1 1 116 116 ASP N N 446 121.090 121.090 125.179 -4.089 17742 637 1 . 1 1 116 116 ASP HA H 446 4.595 4.595 4.575 0.020 17742 638 1 . 1 1 116 116 ASP C C 446 175.872 175.872 175.921 -0.049 17742 639 1 . 1 1 116 116 ASP CA C 446 54.382 54.382 55.094 -0.712 17742 640 1 . 1 1 116 116 ASP CB C 446 41.402 41.402 41.761 -0.359 17742 641 1 . 1 1 116 116 ASP H H 446 8.336 8.336 8.441 -0.105 17742 642 1 . 1 1 117 117 GLU N N 447 121.977 121.977 119.895 2.082 17742 643 1 . 1 1 117 117 GLU HA H 447 4.575 4.575 4.640 -0.065 17742 644 1 . 1 1 117 117 GLU CA C 447 54.442 54.442 53.739 0.703 17742 645 1 . 1 1 117 117 GLU CB C 447 30.254 30.254 29.864 0.390 17742 646 1 . 1 1 117 117 GLU H H 447 8.194 8.194 8.085 0.109 17742 647 1 . 1 1 118 118 PRO HA H 448 4.461 4.461 4.524 -0.063 17742 648 1 . 1 1 118 118 PRO C C 448 177.160 177.160 176.430 0.730 17742 649 1 . 1 1 118 118 PRO CA C 448 63.371 63.371 63.345 0.026 17742 650 1 . 1 1 118 118 PRO CB C 448 32.302 32.302 31.323 0.979 17742 651 1 . 1 1 119 119 THR N N 449 114.788 114.788 117.378 -2.590 17742 652 1 . 1 1 119 119 THR HA H 449 4.292 4.292 4.499 -0.207 17742 653 1 . 1 1 119 119 THR C C 449 174.664 174.664 174.054 0.610 17742 654 1 . 1 1 119 119 THR CA C 449 62.117 62.117 61.349 0.768 17742 655 1 . 1 1 119 119 THR CB C 449 69.861 69.861 70.107 -0.246 17742 656 1 . 1 1 119 119 THR H H 449 8.235 8.235 8.328 -0.093 17742 657 1 . 1 1 120 120 ILE N N 450 123.074 123.074 123.839 -0.765 17742 658 1 . 1 1 120 120 ILE HA H 450 4.169 4.169 4.165 0.004 17742 659 1 . 1 1 120 120 ILE C C 450 175.683 175.683 176.095 -0.412 17742 660 1 . 1 1 120 120 ILE CA C 450 60.987 60.987 61.061 -0.074 17742 661 1 . 1 1 120 120 ILE CB C 450 38.983 38.983 37.041 1.942 17742 662 1 . 1 1 120 120 ILE H H 450 8.043 8.043 8.645 -0.602 17742 663 1 . 1 1 121 121 ALA N N 451 128.011 128.011 128.332 -0.321 17742 664 1 . 1 1 121 121 ALA HA H 451 4.332 4.332 4.286 0.046 17742 665 1 . 1 1 121 121 ALA C C 451 177.333 177.333 176.858 0.475 17742 666 1 . 1 1 121 121 ALA CA C 451 52.364 52.364 52.945 -0.581 17742 667 1 . 1 1 121 121 ALA CB C 451 19.534 19.534 19.062 0.472 17742 668 1 . 1 1 121 121 ALA H H 451 8.277 8.277 8.498 -0.221 17742 669 1 . 1 1 122 122 SER N N 452 116.575 116.575 113.319 3.256 17742 670 1 . 1 1 122 122 SER HA H 452 4.672 4.672 4.631 0.041 17742 671 1 . 1 1 122 122 SER CA C 452 56.230 56.230 56.506 -0.276 17742 672 1 . 1 1 122 122 SER CB C 452 63.460 63.460 63.685 -0.225 17742 673 1 . 1 1 122 122 SER H H 452 8.161 8.161 7.628 0.533 17742 674 1 . 1 1 123 123 PRO HA H 453 4.395 4.395 4.235 0.160 17742 675 1 . 1 1 123 123 PRO C C 453 176.993 176.993 175.927 1.066 17742 676 1 . 1 1 123 123 PRO CA C 453 63.303 63.303 63.365 -0.062 17742 677 1 . 1 1 123 123 PRO CB C 453 32.149 32.149 31.128 1.021 17742 678 1 . 1 1 124 124 VAL N N 454 119.733 119.733 122.914 -3.181 17742 679 1 . 1 1 124 124 VAL HA H 454 4.010 4.010 3.995 0.015 17742 680 1 . 1 1 124 124 VAL CA C 454 62.674 62.674 62.367 0.307 17742 681 1 . 1 1 124 124 VAL CB C 454 32.669 32.669 32.353 0.315 17742 682 1 . 1 1 124 124 VAL H H 454 8.058 8.058 8.037 0.021 17742 683 1 . 1 1 125 125 GLY N N 455 111.901 111.901 110.033 1.868 17742 684 1 . 1 1 125 125 GLY CA C 455 45.152 45.152 44.833 0.319 17742 685 1 . 1 1 125 125 GLY H H 455 8.255 8.255 7.794 0.461 17742 686 1 . 1 1 126 126 TRP N N 456 122.405 122.405 122.495 -0.090 17742 687 1 . 1 1 126 126 TRP HA H 456 4.929 4.929 4.909 0.020 17742 688 1 . 1 1 126 126 TRP CA C 456 55.029 55.029 54.153 0.876 17742 689 1 . 1 1 126 126 TRP CB C 456 29.383 29.383 29.446 -0.063 17742 690 1 . 1 1 126 126 TRP H H 456 7.906 7.906 7.833 0.073 17742 691 1 . 1 1 127 127 PRO HA H 457 4.429 4.429 4.459 -0.030 17742 692 1 . 1 1 127 127 PRO C C 457 175.951 175.951 176.271 -0.320 17742 693 1 . 1 1 127 127 PRO CA C 457 63.558 63.558 62.979 0.579 17742 694 1 . 1 1 127 127 PRO CB C 457 31.932 31.932 31.736 0.195 17742 stop_ save_