data_17490 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 17490 _Entry.PDB_ID 2L9W 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 17490 _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 3 3 LEU N N 293 125.082 125.082 119.291 5.791 17490 2 1 1 . 1 1 3 3 LEU HA H 293 4.292 4.292 4.892 -0.600 17490 3 1 1 . 1 1 3 3 LEU C C 293 177.442 177.442 176.929 0.513 17490 4 1 1 . 1 1 3 3 LEU CA C 293 55.523 55.523 54.904 0.619 17490 5 1 1 . 1 1 3 3 LEU CB C 293 42.516 42.516 42.935 -0.419 17490 6 1 1 . 1 1 3 3 LEU H H 293 8.321 8.321 8.379 -0.058 17490 7 1 1 . 1 1 4 4 GLU N N 294 122.906 122.906 122.550 0.356 17490 8 1 1 . 1 1 4 4 GLU HA H 294 4.069 4.069 4.123 -0.054 17490 9 1 1 . 1 1 4 4 GLU C C 294 177.158 177.158 178.630 -1.472 17490 10 1 1 . 1 1 4 4 GLU CA C 294 58.307 58.307 59.495 -1.188 17490 11 1 1 . 1 1 4 4 GLU CB C 294 29.676 29.676 29.684 -0.008 17490 12 1 1 . 1 1 4 4 GLU H H 294 8.521 8.521 8.747 -0.226 17490 13 1 1 . 1 1 5 5 ARG N N 295 120.270 120.270 117.072 3.198 17490 14 1 1 . 1 1 5 5 ARG HA H 295 4.131 4.131 4.058 0.073 17490 15 1 1 . 1 1 5 5 ARG C C 295 177.768 177.768 178.408 -0.640 17490 16 1 1 . 1 1 5 5 ARG CA C 295 58.082 58.082 59.416 -1.334 17490 17 1 1 . 1 1 5 5 ARG CB C 295 30.192 30.192 29.628 0.564 17490 18 1 1 . 1 1 5 5 ARG H H 295 8.327 8.327 8.681 -0.354 17490 19 1 1 . 1 1 6 6 ASN N N 296 118.639 118.639 117.511 1.128 17490 20 1 1 . 1 1 6 6 ASN HA H 296 4.554 4.554 4.580 -0.026 17490 21 1 1 . 1 1 6 6 ASN C C 296 176.830 176.830 177.774 -0.944 17490 22 1 1 . 1 1 6 6 ASN CA C 296 54.901 54.901 56.058 -1.157 17490 23 1 1 . 1 1 6 6 ASN CB C 296 38.115 38.115 38.022 0.093 17490 24 1 1 . 1 1 6 6 ASN H H 296 8.257 8.257 7.821 0.436 17490 25 1 1 . 1 1 7 7 GLU N N 297 123.935 123.935 120.687 3.248 17490 26 1 1 . 1 1 7 7 GLU HA H 297 4.266 4.266 4.234 0.032 17490 27 1 1 . 1 1 7 7 GLU C C 297 178.102 178.102 178.917 -0.815 17490 28 1 1 . 1 1 7 7 GLU CA C 297 58.897 58.897 58.957 -0.060 17490 29 1 1 . 1 1 7 7 GLU CB C 297 29.814 29.814 29.862 -0.048 17490 30 1 1 . 1 1 7 7 GLU H H 297 8.185 8.185 7.813 0.372 17490 31 1 1 . 1 1 8 8 VAL N N 298 118.916 118.916 119.683 -0.767 17490 32 1 1 . 1 1 8 8 VAL HA H 298 3.399 3.399 3.566 -0.167 17490 33 1 1 . 1 1 8 8 VAL C C 298 177.131 177.131 177.658 -0.527 17490 34 1 1 . 1 1 8 8 VAL CA C 298 67.619 67.619 67.168 0.451 17490 35 1 1 . 1 1 8 8 VAL CB C 298 32.041 32.041 31.337 0.704 17490 36 1 1 . 1 1 8 8 VAL H H 298 8.095 8.095 8.576 -0.481 17490 37 1 1 . 1 1 9 9 LYS N N 299 117.791 117.791 120.314 -2.523 17490 38 1 1 . 1 1 9 9 LYS HA H 299 3.804 3.804 4.083 -0.279 17490 39 1 1 . 1 1 9 9 LYS C C 299 179.259 179.259 178.671 0.588 17490 40 1 1 . 1 1 9 9 LYS CA C 299 59.806 59.806 59.614 0.192 17490 41 1 1 . 1 1 9 9 LYS CB C 299 32.290 32.290 32.330 -0.040 17490 42 1 1 . 1 1 9 9 LYS H H 299 7.771 7.771 7.905 -0.134 17490 43 1 1 . 1 1 10 10 ARG N N 300 119.032 119.032 119.177 -0.145 17490 44 1 1 . 1 1 10 10 ARG HA H 300 3.934 3.934 4.080 -0.146 17490 45 1 1 . 1 1 10 10 ARG C C 300 179.680 179.680 179.216 0.464 17490 46 1 1 . 1 1 10 10 ARG CA C 300 59.444 59.444 59.262 0.182 17490 47 1 1 . 1 1 10 10 ARG CB C 300 30.190 30.190 30.172 0.018 17490 48 1 1 . 1 1 10 10 ARG H H 300 7.834 7.834 7.995 -0.161 17490 49 1 1 . 1 1 11 11 LEU N N 301 120.881 120.881 118.387 2.494 17490 50 1 1 . 1 1 11 11 LEU HA H 301 3.890 3.890 4.150 -0.260 17490 51 1 1 . 1 1 11 11 LEU C C 301 178.937 178.937 178.005 0.932 17490 52 1 1 . 1 1 11 11 LEU CA C 301 58.067 58.067 56.472 1.595 17490 53 1 1 . 1 1 11 11 LEU CB C 301 42.051 42.051 42.248 -0.197 17490 54 1 1 . 1 1 11 11 LEU H H 301 8.147 8.147 7.943 0.204 17490 55 1 1 . 1 1 12 12 LEU N N 302 116.294 116.294 118.574 -2.280 17490 56 1 1 . 1 1 12 12 LEU HA H 302 3.874 3.874 3.990 -0.116 17490 57 1 1 . 1 1 12 12 LEU C C 302 177.360 177.360 178.264 -0.904 17490 58 1 1 . 1 1 12 12 LEU CA C 302 57.498 57.498 57.111 0.387 17490 59 1 1 . 1 1 12 12 LEU CB C 302 41.506 41.506 42.453 -0.947 17490 60 1 1 . 1 1 12 12 LEU H H 302 8.331 8.331 7.656 0.675 17490 61 1 1 . 1 1 13 13 ALA N N 303 117.998 117.998 118.265 -0.267 17490 62 1 1 . 1 1 13 13 ALA HA H 303 4.480 4.480 4.373 0.107 17490 63 1 1 . 1 1 13 13 ALA C C 303 177.554 177.554 177.632 -0.078 17490 64 1 1 . 1 1 13 13 ALA CA C 303 51.290 51.290 51.865 -0.575 17490 65 1 1 . 1 1 13 13 ALA CB C 303 19.810 19.810 19.724 0.086 17490 66 1 1 . 1 1 13 13 ALA H H 303 7.109 7.109 7.587 -0.478 17490 67 1 1 . 1 1 14 14 SER N N 304 114.833 114.833 114.694 0.139 17490 68 1 1 . 1 1 14 14 SER HA H 304 4.175 4.175 4.229 -0.054 17490 69 1 1 . 1 1 14 14 SER C C 304 175.762 175.762 175.127 0.635 17490 70 1 1 . 1 1 14 14 SER CA C 304 59.344 59.344 59.671 -0.327 17490 71 1 1 . 1 1 14 14 SER CB C 304 63.704 63.704 63.514 0.190 17490 72 1 1 . 1 1 14 14 SER H H 304 7.265 7.265 7.724 -0.459 17490 73 1 1 . 1 1 15 15 ARG N N 305 125.370 125.370 125.637 -0.267 17490 74 1 1 . 1 1 15 15 ARG HA H 305 4.555 4.555 4.316 0.239 17490 75 1 1 . 1 1 15 15 ARG C C 305 175.442 175.442 176.134 -0.692 17490 76 1 1 . 1 1 15 15 ARG CA C 305 54.847 54.847 56.492 -1.645 17490 77 1 1 . 1 1 15 15 ARG CB C 305 30.415 30.415 30.698 -0.283 17490 78 1 1 . 1 1 15 15 ARG H H 305 8.872 8.872 8.612 0.260 17490 79 1 1 . 1 1 16 16 ASN N N 306 120.536 120.536 118.985 1.551 17490 80 1 1 . 1 1 16 16 ASN HA H 306 4.774 4.774 4.656 0.118 17490 81 1 1 . 1 1 16 16 ASN C C 306 175.146 175.146 176.080 -0.934 17490 82 1 1 . 1 1 16 16 ASN CA C 306 52.434 52.434 53.465 -1.031 17490 83 1 1 . 1 1 16 16 ASN CB C 306 38.294 38.294 38.353 -0.059 17490 84 1 1 . 1 1 16 16 ASN H H 306 8.367 8.367 8.322 0.045 17490 85 1 1 . 1 1 17 17 SER N N 307 121.694 121.694 122.278 -0.584 17490 86 1 1 . 1 1 17 17 SER HA H 307 4.090 4.090 4.335 -0.245 17490 87 1 1 . 1 1 17 17 SER C C 307 175.970 175.970 174.948 1.022 17490 88 1 1 . 1 1 17 17 SER CA C 307 61.484 61.484 60.054 1.430 17490 89 1 1 . 1 1 17 17 SER CB C 307 62.850 62.850 63.071 -0.221 17490 90 1 1 . 1 1 17 17 SER H H 307 8.656 8.656 8.938 -0.282 17490 91 1 1 . 1 1 18 18 LYS N N 308 120.961 120.961 122.078 -1.117 17490 92 1 1 . 1 1 18 18 LYS HA H 308 4.115 4.115 4.422 -0.307 17490 93 1 1 . 1 1 18 18 LYS C C 308 178.999 178.999 177.738 1.261 17490 94 1 1 . 1 1 18 18 LYS CA C 308 58.606 58.606 58.755 -0.149 17490 95 1 1 . 1 1 18 18 LYS CB C 308 31.614 31.614 32.449 -0.835 17490 96 1 1 . 1 1 18 18 LYS H H 308 8.060 8.060 7.926 0.134 17490 97 1 1 . 1 1 19 19 GLU N N 309 118.377 118.377 119.496 -1.119 17490 98 1 1 . 1 1 19 19 GLU HA H 309 4.198 4.198 4.088 0.110 17490 99 1 1 . 1 1 19 19 GLU C C 309 178.136 178.136 178.196 -0.060 17490 100 1 1 . 1 1 19 19 GLU CA C 309 57.939 57.939 58.864 -0.925 17490 101 1 1 . 1 1 19 19 GLU CB C 309 30.115 30.115 29.763 0.352 17490 102 1 1 . 1 1 19 19 GLU H H 309 7.520 7.520 7.556 -0.036 17490 103 1 1 . 1 1 20 20 LEU N N 310 118.101 118.101 117.029 1.072 17490 104 1 1 . 1 1 20 20 LEU HA H 310 4.168 4.168 4.119 0.049 17490 105 1 1 . 1 1 20 20 LEU C C 310 179.112 179.112 177.959 1.153 17490 106 1 1 . 1 1 20 20 LEU CA C 310 56.583 56.583 56.949 -0.366 17490 107 1 1 . 1 1 20 20 LEU CB C 310 41.611 41.611 41.783 -0.172 17490 108 1 1 . 1 1 20 20 LEU H H 310 7.741 7.741 7.527 0.214 17490 109 1 1 . 1 1 21 21 GLU N N 311 116.130 116.130 116.338 -0.208 17490 110 1 1 . 1 1 21 21 GLU HA H 311 4.342 4.342 4.234 0.108 17490 111 1 1 . 1 1 21 21 GLU C C 311 176.928 176.928 178.324 -1.396 17490 112 1 1 . 1 1 21 21 GLU CA C 311 58.216 58.216 58.060 0.155 17490 113 1 1 . 1 1 21 21 GLU CB C 311 29.608 29.608 29.698 -0.090 17490 114 1 1 . 1 1 21 21 GLU H H 311 7.747 7.747 7.414 0.333 17490 115 1 1 . 1 1 22 22 THR N N 312 106.131 106.131 117.641 -11.510 17490 116 1 1 . 1 1 22 22 THR HA H 312 4.182 4.182 4.441 -0.259 17490 117 1 1 . 1 1 22 22 THR C C 312 172.032 172.032 173.060 -1.028 17490 118 1 1 . 1 1 22 22 THR CA C 312 61.539 61.539 63.878 -2.339 17490 119 1 1 . 1 1 22 22 THR CB C 312 69.426 69.426 67.772 1.654 17490 120 1 1 . 1 1 22 22 THR H H 312 7.446 7.446 7.939 -0.493 17490 121 1 1 . 1 1 23 23 LEU N N 313 120.178 120.178 116.212 3.966 17490 122 1 1 . 1 1 23 23 LEU HA H 313 5.869 5.869 5.488 0.381 17490 123 1 1 . 1 1 23 23 LEU C C 313 175.604 175.604 174.226 1.378 17490 124 1 1 . 1 1 23 23 LEU CA C 313 52.838 52.838 54.201 -1.363 17490 125 1 1 . 1 1 23 23 LEU CB C 313 46.851 46.851 45.913 0.938 17490 126 1 1 . 1 1 23 23 LEU H H 313 7.538 7.538 7.275 0.263 17490 127 1 1 . 1 1 24 24 ILE N N 314 113.990 113.990 113.229 0.761 17490 128 1 1 . 1 1 24 24 ILE HA H 314 4.717 4.717 4.704 0.013 17490 129 1 1 . 1 1 24 24 ILE C C 314 173.530 173.530 173.408 0.122 17490 130 1 1 . 1 1 24 24 ILE CA C 314 59.368 59.368 59.664 -0.296 17490 131 1 1 . 1 1 24 24 ILE CB C 314 42.319 42.319 41.942 0.377 17490 132 1 1 . 1 1 24 24 ILE H H 314 8.904 8.904 8.681 0.223 17490 133 1 1 . 1 1 25 25 CYS N N 315 117.755 117.755 120.345 -2.590 17490 134 1 1 . 1 1 25 25 CYS HA H 315 5.914 5.914 5.170 0.744 17490 135 1 1 . 1 1 25 25 CYS C C 315 174.153 174.153 175.027 -0.874 17490 136 1 1 . 1 1 25 25 CYS CA C 315 57.187 57.187 57.647 -0.460 17490 137 1 1 . 1 1 25 25 CYS CB C 315 31.754 31.754 28.599 3.155 17490 138 1 1 . 1 1 25 25 CYS H H 315 9.021 9.021 8.886 0.135 17490 139 1 1 . 1 1 26 26 LEU N N 316 119.952 119.952 127.883 -7.931 17490 140 1 1 . 1 1 26 26 LEU HA H 316 5.363 5.363 5.181 0.182 17490 141 1 1 . 1 1 26 26 LEU C C 316 176.015 176.015 175.637 0.378 17490 142 1 1 . 1 1 26 26 LEU CA C 316 53.072 53.072 54.885 -1.813 17490 143 1 1 . 1 1 26 26 LEU CB C 316 45.891 45.891 43.581 2.310 17490 144 1 1 . 1 1 26 26 LEU H H 316 8.778 8.778 9.185 -0.407 17490 145 1 1 . 1 1 27 27 PHE N N 317 116.116 116.116 126.127 -10.011 17490 146 1 1 . 1 1 27 27 PHE HA H 317 4.158 4.158 5.244 -1.086 17490 147 1 1 . 1 1 27 27 PHE CA C 317 55.594 55.594 54.184 1.410 17490 148 1 1 . 1 1 27 27 PHE CB C 317 37.765 37.765 40.201 -2.436 17490 149 1 1 . 1 1 27 27 PHE H H 317 7.827 7.827 8.810 -0.983 17490 150 1 1 . 1 1 28 28 PRO HA H 318 5.322 5.322 4.644 0.678 17490 151 1 1 . 1 1 28 28 PRO C C 318 175.163 175.163 174.869 0.294 17490 152 1 1 . 1 1 28 28 PRO CA C 318 61.657 61.657 62.249 -0.592 17490 153 1 1 . 1 1 28 28 PRO CB C 318 34.356 34.356 32.001 2.355 17490 154 1 1 . 1 1 29 29 LEU N N 319 120.206 120.206 121.201 -0.995 17490 155 1 1 . 1 1 29 29 LEU HA H 319 4.674 4.674 4.428 0.246 17490 156 1 1 . 1 1 29 29 LEU C C 319 176.806 176.806 176.534 0.272 17490 157 1 1 . 1 1 29 29 LEU CA C 319 52.817 52.817 53.186 -0.369 17490 158 1 1 . 1 1 29 29 LEU CB C 319 45.029 45.029 39.722 5.307 17490 159 1 1 . 1 1 29 29 LEU H H 319 8.365 8.365 7.906 0.459 17490 160 1 1 . 1 1 30 30 SER N N 320 117.220 117.220 118.170 -0.950 17490 161 1 1 . 1 1 30 30 SER HA H 320 4.475 4.475 4.577 -0.102 17490 162 1 1 . 1 1 30 30 SER C C 320 174.677 174.677 175.166 -0.489 17490 163 1 1 . 1 1 30 30 SER CA C 320 57.768 57.768 57.633 0.135 17490 164 1 1 . 1 1 30 30 SER CB C 320 64.118 64.118 64.796 -0.678 17490 165 1 1 . 1 1 30 30 SER H H 320 8.652 8.652 7.972 0.680 17490 166 1 1 . 1 1 31 31 ASP N N 321 121.514 121.514 120.267 1.247 17490 167 1 1 . 1 1 31 31 ASP HA H 321 4.471 4.471 4.515 -0.044 17490 168 1 1 . 1 1 31 31 ASP C C 321 176.811 176.811 175.992 0.819 17490 169 1 1 . 1 1 31 31 ASP CA C 321 55.388 55.388 55.621 -0.233 17490 170 1 1 . 1 1 31 31 ASP CB C 321 40.060 40.060 40.703 -0.643 17490 171 1 1 . 1 1 31 31 ASP H H 321 8.587 8.587 8.666 -0.079 17490 172 1 1 . 1 1 32 32 LYS N N 322 117.990 117.990 116.295 1.695 17490 173 1 1 . 1 1 32 32 LYS HA H 322 4.331 4.331 4.480 -0.149 17490 174 1 1 . 1 1 32 32 LYS C C 322 176.804 176.804 175.410 1.394 17490 175 1 1 . 1 1 32 32 LYS CA C 322 55.545 55.545 55.094 0.451 17490 176 1 1 . 1 1 32 32 LYS CB C 322 31.942 31.942 33.426 -1.484 17490 177 1 1 . 1 1 32 32 LYS H H 322 8.053 8.053 7.757 0.296 17490 178 1 1 . 1 1 33 33 VAL N N 323 119.570 119.570 119.670 -0.100 17490 179 1 1 . 1 1 33 33 VAL HA H 323 3.922 3.922 4.230 -0.308 17490 180 1 1 . 1 1 33 33 VAL C C 323 173.362 173.362 174.741 -1.379 17490 181 1 1 . 1 1 33 33 VAL CA C 323 63.294 63.294 60.583 2.711 17490 182 1 1 . 1 1 33 33 VAL CB C 323 32.410 32.410 32.400 0.010 17490 183 1 1 . 1 1 33 33 VAL H H 323 7.333 7.333 7.610 -0.277 17490 184 1 1 . 1 1 34 34 SER N N 324 118.908 118.908 121.777 -2.869 17490 185 1 1 . 1 1 34 34 SER HA H 324 5.104 5.104 4.835 0.269 17490 186 1 1 . 1 1 34 34 SER CA C 324 55.114 55.114 55.989 -0.875 17490 187 1 1 . 1 1 34 34 SER CB C 324 64.522 64.522 64.591 -0.069 17490 188 1 1 . 1 1 34 34 SER H H 324 7.099 7.099 8.183 -1.084 17490 189 1 1 . 1 1 35 35 PRO HA H 325 4.038 4.038 4.085 -0.047 17490 190 1 1 . 1 1 35 35 PRO C C 325 178.107 178.107 178.586 -0.479 17490 191 1 1 . 1 1 35 35 PRO CA C 325 66.275 66.275 66.181 0.094 17490 192 1 1 . 1 1 35 35 PRO CB C 325 31.873 31.873 31.720 0.153 17490 193 1 1 . 1 1 36 36 SER N N 326 111.480 111.480 114.228 -2.748 17490 194 1 1 . 1 1 36 36 SER HA H 326 4.179 4.179 4.242 -0.063 17490 195 1 1 . 1 1 36 36 SER C C 326 176.897 176.897 176.664 0.233 17490 196 1 1 . 1 1 36 36 SER CA C 326 61.731 61.731 61.435 0.296 17490 197 1 1 . 1 1 36 36 SER CB C 326 62.211 62.211 62.648 -0.437 17490 198 1 1 . 1 1 36 36 SER H H 326 8.172 8.172 8.149 0.023 17490 199 1 1 . 1 1 37 37 LEU N N 327 123.898 123.898 121.636 2.262 17490 200 1 1 . 1 1 37 37 LEU HA H 327 4.311 4.311 3.973 0.338 17490 201 1 1 . 1 1 37 37 LEU C C 327 180.292 180.292 178.768 1.524 17490 202 1 1 . 1 1 37 37 LEU CA C 327 57.921 57.921 57.538 0.383 17490 203 1 1 . 1 1 37 37 LEU CB C 327 42.694 42.694 41.374 1.320 17490 204 1 1 . 1 1 37 37 LEU H H 327 7.751 7.751 8.115 -0.364 17490 205 1 1 . 1 1 38 38 ILE N N 328 119.411 119.411 119.518 -0.107 17490 206 1 1 . 1 1 38 38 ILE HA H 328 3.627 3.627 3.663 -0.036 17490 207 1 1 . 1 1 38 38 ILE C C 328 176.884 176.884 177.837 -0.953 17490 208 1 1 . 1 1 38 38 ILE CA C 328 65.153 65.153 65.687 -0.534 17490 209 1 1 . 1 1 38 38 ILE CB C 328 37.446 37.446 37.877 -0.430 17490 210 1 1 . 1 1 38 38 ILE H H 328 7.636 7.636 7.709 -0.073 17490 211 1 1 . 1 1 39 39 CYS N N 329 120.430 120.430 117.946 2.484 17490 212 1 1 . 1 1 39 39 CYS HA H 329 3.743 3.743 3.941 -0.198 17490 213 1 1 . 1 1 39 39 CYS C C 329 176.205 176.205 176.834 -0.629 17490 214 1 1 . 1 1 39 39 CYS CA C 329 63.564 63.564 64.138 -0.574 17490 215 1 1 . 1 1 39 39 CYS CB C 329 26.285 26.285 27.304 -1.019 17490 216 1 1 . 1 1 39 39 CYS H H 329 8.640 8.640 7.726 0.914 17490 217 1 1 . 1 1 40 40 GLN N N 330 118.263 118.263 119.380 -1.117 17490 218 1 1 . 1 1 40 40 GLN HA H 330 4.099 4.099 3.959 0.140 17490 219 1 1 . 1 1 40 40 GLN C C 330 177.445 177.445 178.596 -1.151 17490 220 1 1 . 1 1 40 40 GLN CA C 330 59.496 59.496 58.556 0.940 17490 221 1 1 . 1 1 40 40 GLN CB C 330 28.469 28.469 27.903 0.566 17490 222 1 1 . 1 1 40 40 GLN H H 330 8.213 8.213 7.975 0.238 17490 223 1 1 . 1 1 41 41 PHE N N 331 121.411 121.411 120.571 0.840 17490 224 1 1 . 1 1 41 41 PHE HA H 331 4.661 4.661 4.149 0.512 17490 225 1 1 . 1 1 41 41 PHE C C 331 177.475 177.475 177.545 -0.070 17490 226 1 1 . 1 1 41 41 PHE CA C 331 60.181 60.181 60.839 -0.658 17490 227 1 1 . 1 1 41 41 PHE CB C 331 39.561 39.561 38.903 0.658 17490 228 1 1 . 1 1 41 41 PHE H H 331 7.806 7.806 8.022 -0.216 17490 229 1 1 . 1 1 42 42 LEU N N 332 119.016 119.016 120.100 -1.084 17490 230 1 1 . 1 1 42 42 LEU HA H 332 3.508 3.508 3.788 -0.280 17490 231 1 1 . 1 1 42 42 LEU C C 332 178.495 178.495 178.906 -0.411 17490 232 1 1 . 1 1 42 42 LEU CA C 332 57.545 57.545 58.246 -0.701 17490 233 1 1 . 1 1 42 42 LEU CB C 332 40.880 40.880 41.906 -1.026 17490 234 1 1 . 1 1 42 42 LEU H H 332 8.436 8.436 7.849 0.587 17490 235 1 1 . 1 1 43 43 GLN N N 333 116.210 116.210 117.304 -1.094 17490 236 1 1 . 1 1 43 43 GLN HA H 333 4.590 4.590 4.234 0.356 17490 237 1 1 . 1 1 43 43 GLN C C 333 178.499 178.499 178.637 -0.138 17490 238 1 1 . 1 1 43 43 GLN CA C 333 58.875 58.875 58.414 0.460 17490 239 1 1 . 1 1 43 43 GLN CB C 333 30.846 30.846 28.435 2.411 17490 240 1 1 . 1 1 43 43 GLN H H 333 8.236 8.236 8.355 -0.119 17490 241 1 1 . 1 1 44 44 GLU N N 334 117.050 117.050 119.528 -2.478 17490 242 1 1 . 1 1 44 44 GLU HA H 334 4.116 4.116 4.145 -0.029 17490 243 1 1 . 1 1 44 44 GLU C C 334 177.407 177.407 177.953 -0.546 17490 244 1 1 . 1 1 44 44 GLU CA C 334 58.756 58.756 58.962 -0.206 17490 245 1 1 . 1 1 44 44 GLU CB C 334 30.518 30.518 29.775 0.743 17490 246 1 1 . 1 1 44 44 GLU H H 334 8.926 8.926 8.188 0.738 17490 247 1 1 . 1 1 45 45 GLU N N 335 114.950 114.950 117.362 -2.412 17490 248 1 1 . 1 1 45 45 GLU HA H 335 4.354 4.354 4.277 0.077 17490 249 1 1 . 1 1 45 45 GLU C C 335 176.873 176.873 178.451 -1.578 17490 250 1 1 . 1 1 45 45 GLU CA C 335 57.018 57.018 57.083 -0.065 17490 251 1 1 . 1 1 45 45 GLU CB C 335 29.537 29.537 31.036 -1.499 17490 252 1 1 . 1 1 45 45 GLU H H 335 8.054 8.054 7.905 0.149 17490 253 1 1 . 1 1 46 46 ILE N N 336 115.649 115.649 116.584 -0.935 17490 254 1 1 . 1 1 46 46 ILE HA H 336 3.895 3.895 4.157 -0.262 17490 255 1 1 . 1 1 46 46 ILE C C 336 175.873 175.873 176.325 -0.452 17490 256 1 1 . 1 1 46 46 ILE CA C 336 58.097 58.097 61.261 -3.164 17490 257 1 1 . 1 1 46 46 ILE CB C 336 35.077 35.077 37.474 -2.397 17490 258 1 1 . 1 1 46 46 ILE H H 336 6.749 6.749 7.629 -0.880 17490 259 1 1 . 1 1 47 47 HIS N N 337 111.685 111.685 115.406 -3.721 17490 260 1 1 . 1 1 47 47 HIS HA H 337 4.520 4.520 4.276 0.244 17490 261 1 1 . 1 1 47 47 HIS C C 337 174.787 174.787 173.927 0.860 17490 262 1 1 . 1 1 47 47 HIS CA C 337 56.387 56.387 56.702 -0.315 17490 263 1 1 . 1 1 47 47 HIS CB C 337 24.947 24.947 28.104 -3.157 17490 264 1 1 . 1 1 47 47 HIS H H 337 6.652 6.652 7.666 -1.014 17490 265 1 1 . 1 1 48 48 ILE N N 338 118.069 118.069 119.916 -1.847 17490 266 1 1 . 1 1 48 48 ILE HA H 338 4.433 4.433 4.023 0.410 17490 267 1 1 . 1 1 48 48 ILE C C 338 175.031 175.031 175.468 -0.437 17490 268 1 1 . 1 1 48 48 ILE CA C 338 60.737 60.737 62.203 -1.466 17490 269 1 1 . 1 1 48 48 ILE CB C 338 38.861 38.861 37.650 1.212 17490 270 1 1 . 1 1 48 48 ILE H H 338 7.963 7.963 7.431 0.532 17490 271 1 1 . 1 1 49 49 ASN N N 339 123.991 123.991 124.183 -0.192 17490 272 1 1 . 1 1 49 49 ASN HA H 339 4.691 4.691 4.765 -0.074 17490 273 1 1 . 1 1 49 49 ASN C C 339 176.381 176.381 175.434 0.947 17490 274 1 1 . 1 1 49 49 ASN CA C 339 53.296 53.296 52.139 1.157 17490 275 1 1 . 1 1 49 49 ASN CB C 339 40.570 40.570 41.453 -0.883 17490 276 1 1 . 1 1 49 49 ASN H H 339 9.222 9.222 8.028 1.194 17490 277 1 1 . 1 1 50 50 GLU N N 340 125.549 125.549 119.203 6.346 17490 278 1 1 . 1 1 50 50 GLU HA H 340 3.792 3.792 4.152 -0.360 17490 279 1 1 . 1 1 50 50 GLU C C 340 177.988 177.988 176.894 1.094 17490 280 1 1 . 1 1 50 50 GLU CA C 340 59.807 59.807 58.520 1.287 17490 281 1 1 . 1 1 50 50 GLU CB C 340 29.143 29.143 29.740 -0.597 17490 282 1 1 . 1 1 50 50 GLU H H 340 8.971 8.971 8.870 0.101 17490 283 1 1 . 1 1 51 51 LYS N N 341 116.019 116.019 117.679 -1.660 17490 284 1 1 . 1 1 51 51 LYS HA H 341 4.117 4.117 4.269 -0.152 17490 285 1 1 . 1 1 51 51 LYS C C 341 177.283 177.283 177.215 0.068 17490 286 1 1 . 1 1 51 51 LYS CA C 341 57.718 57.718 58.080 -0.361 17490 287 1 1 . 1 1 51 51 LYS CB C 341 31.650 31.650 32.103 -0.454 17490 288 1 1 . 1 1 51 51 LYS H H 341 8.424 8.424 7.905 0.519 17490 289 1 1 . 1 1 52 52 ASP N N 342 117.576 117.576 118.541 -0.965 17490 290 1 1 . 1 1 52 52 ASP HA H 342 4.444 4.444 4.640 -0.196 17490 291 1 1 . 1 1 52 52 ASP C C 342 175.454 175.454 175.399 0.055 17490 292 1 1 . 1 1 52 52 ASP CA C 342 56.002 56.002 55.651 0.351 17490 293 1 1 . 1 1 52 52 ASP CB C 342 41.937 41.937 41.490 0.447 17490 294 1 1 . 1 1 52 52 ASP H H 342 7.908 7.908 8.302 -0.394 17490 295 1 1 . 1 1 53 53 ILE N N 343 120.515 120.515 119.199 1.316 17490 296 1 1 . 1 1 53 53 ILE HA H 343 3.875 3.875 4.438 -0.563 17490 297 1 1 . 1 1 53 53 ILE C C 343 174.966 174.966 175.470 -0.504 17490 298 1 1 . 1 1 53 53 ILE CA C 343 61.101 61.101 58.691 2.410 17490 299 1 1 . 1 1 53 53 ILE CB C 343 39.931 39.931 38.726 1.205 17490 300 1 1 . 1 1 53 53 ILE H H 343 7.480 7.480 7.368 0.112 17490 301 1 1 . 1 1 54 54 ARG N N 344 125.353 125.353 127.596 -2.243 17490 302 1 1 . 1 1 54 54 ARG HA H 344 4.291 4.291 4.200 0.091 17490 303 1 1 . 1 1 54 54 ARG C C 344 176.642 176.642 176.377 0.265 17490 304 1 1 . 1 1 54 54 ARG CA C 344 57.550 57.550 58.091 -0.541 17490 305 1 1 . 1 1 54 54 ARG CB C 344 30.848 30.848 31.424 -0.576 17490 306 1 1 . 1 1 54 54 ARG H H 344 9.063 9.063 9.044 0.019 17490 307 1 1 . 1 1 55 55 LYS N N 345 116.212 116.212 116.386 -0.174 17490 308 1 1 . 1 1 55 55 LYS HA H 345 4.417 4.417 4.377 0.040 17490 309 1 1 . 1 1 55 55 LYS C C 345 173.004 173.004 173.752 -0.748 17490 310 1 1 . 1 1 55 55 LYS CA C 345 55.873 55.873 55.963 -0.090 17490 311 1 1 . 1 1 55 55 LYS CB C 345 36.582 36.582 35.997 0.585 17490 312 1 1 . 1 1 55 55 LYS H H 345 7.569 7.569 7.570 -0.001 17490 313 1 1 . 1 1 56 56 ILE N N 346 122.685 122.685 123.824 -1.139 17490 314 1 1 . 1 1 56 56 ILE HA H 346 4.731 4.731 5.253 -0.522 17490 315 1 1 . 1 1 56 56 ILE C C 346 174.163 174.163 173.667 0.496 17490 316 1 1 . 1 1 56 56 ILE CA C 346 60.843 60.843 58.831 2.012 17490 317 1 1 . 1 1 56 56 ILE CB C 346 40.816 40.816 40.545 0.271 17490 318 1 1 . 1 1 56 56 ILE H H 346 8.229 8.229 8.326 -0.097 17490 319 1 1 . 1 1 57 57 LEU N N 347 126.095 126.095 128.215 -2.120 17490 320 1 1 . 1 1 57 57 LEU HA H 347 4.775 4.775 4.745 0.030 17490 321 1 1 . 1 1 57 57 LEU C C 347 175.764 175.764 175.165 0.599 17490 322 1 1 . 1 1 57 57 LEU CA C 347 52.746 52.746 53.761 -1.016 17490 323 1 1 . 1 1 57 57 LEU CB C 347 45.364 45.364 45.894 -0.530 17490 324 1 1 . 1 1 57 57 LEU H H 347 9.279 9.279 8.544 0.735 17490 325 1 1 . 1 1 58 58 LEU N N 348 122.946 122.946 122.655 0.291 17490 326 1 1 . 1 1 58 58 LEU HA H 348 4.338 4.338 4.500 -0.162 17490 327 1 1 . 1 1 58 58 LEU C C 348 176.476 176.476 176.813 -0.337 17490 328 1 1 . 1 1 58 58 LEU CA C 348 55.221 55.221 53.665 1.556 17490 329 1 1 . 1 1 58 58 LEU CB C 348 41.496 41.496 41.324 0.172 17490 330 1 1 . 1 1 58 58 LEU H H 348 8.925 8.925 9.116 -0.191 17490 331 1 1 . 1 1 59 59 VAL N N 349 123.378 123.378 126.263 -2.885 17490 332 1 1 . 1 1 59 59 VAL HA H 349 4.385 4.385 4.412 -0.027 17490 333 1 1 . 1 1 59 59 VAL C C 349 176.335 176.335 175.435 0.900 17490 334 1 1 . 1 1 59 59 VAL CA C 349 59.595 59.595 60.970 -1.375 17490 335 1 1 . 1 1 59 59 VAL CB C 349 31.100 31.100 30.341 0.759 17490 336 1 1 . 1 1 59 59 VAL H H 349 8.637 8.637 8.677 -0.040 17490 337 1 1 . 1 1 60 60 SER N N 350 124.152 124.152 120.224 3.928 17490 338 1 1 . 1 1 60 60 SER HA H 350 3.907 3.907 4.514 -0.607 17490 339 1 1 . 1 1 60 60 SER C C 350 177.518 177.518 173.747 3.771 17490 340 1 1 . 1 1 60 60 SER CA C 350 62.261 62.261 59.484 2.777 17490 341 1 1 . 1 1 60 60 SER CB C 350 62.301 62.301 63.581 -1.280 17490 342 1 1 . 1 1 60 60 SER H H 350 8.755 8.755 8.306 0.449 17490 343 1 1 . 1 1 61 61 ASP N N 351 119.224 119.224 119.593 -0.369 17490 344 1 1 . 1 1 61 61 ASP HA H 351 3.964 3.964 4.315 -0.351 17490 345 1 1 . 1 1 61 61 ASP C C 351 174.721 174.721 173.913 0.808 17490 346 1 1 . 1 1 61 61 ASP CA C 351 56.162 56.162 53.567 2.595 17490 347 1 1 . 1 1 61 61 ASP CB C 351 40.102 40.102 40.062 0.040 17490 348 1 1 . 1 1 61 61 ASP H H 351 9.011 9.011 7.927 1.084 17490 349 1 1 . 1 1 62 62 PHE N N 352 110.179 110.179 113.236 -3.057 17490 350 1 1 . 1 1 62 62 PHE HA H 352 3.983 3.983 4.216 -0.233 17490 351 1 1 . 1 1 62 62 PHE C C 352 173.268 173.268 173.540 -0.272 17490 352 1 1 . 1 1 62 62 PHE CA C 352 56.221 56.221 55.401 0.820 17490 353 1 1 . 1 1 62 62 PHE CB C 352 39.789 39.789 37.273 2.516 17490 354 1 1 . 1 1 62 62 PHE H H 352 6.702 6.702 7.058 -0.356 17490 355 1 1 . 1 1 63 63 ASN N N 353 114.980 114.980 118.928 -3.948 17490 356 1 1 . 1 1 63 63 ASN HA H 353 4.665 4.665 4.322 0.343 17490 357 1 1 . 1 1 63 63 ASN C C 353 174.360 174.360 174.496 -0.136 17490 358 1 1 . 1 1 63 63 ASN CA C 353 54.158 54.158 53.896 0.262 17490 359 1 1 . 1 1 63 63 ASN CB C 353 37.889 37.889 37.033 0.856 17490 360 1 1 . 1 1 63 63 ASN H H 353 7.708 7.708 8.305 -0.597 17490 361 1 1 . 1 1 64 64 GLY N N 354 102.117 102.117 105.531 -3.414 17490 362 1 1 . 1 1 64 64 GLY C C 354 173.093 173.093 171.462 1.631 17490 363 1 1 . 1 1 64 64 GLY CA C 354 45.413 45.413 44.395 1.018 17490 364 1 1 . 1 1 64 64 GLY H H 354 7.722 7.722 8.423 -0.701 17490 365 1 1 . 1 1 65 65 ALA N N 355 120.262 120.262 121.631 -1.369 17490 366 1 1 . 1 1 65 65 ALA HA H 355 5.055 5.055 5.053 0.002 17490 367 1 1 . 1 1 65 65 ALA C C 355 174.731 174.731 175.344 -0.613 17490 368 1 1 . 1 1 65 65 ALA CA C 355 51.429 51.429 50.448 0.981 17490 369 1 1 . 1 1 65 65 ALA CB C 355 22.924 22.924 21.918 1.006 17490 370 1 1 . 1 1 65 65 ALA H H 355 8.785 8.785 8.452 0.333 17490 371 1 1 . 1 1 66 66 ILE N N 356 121.244 121.244 126.692 -5.448 17490 372 1 1 . 1 1 66 66 ILE HA H 356 4.711 4.711 4.792 -0.081 17490 373 1 1 . 1 1 66 66 ILE C C 356 174.154 174.154 173.918 0.236 17490 374 1 1 . 1 1 66 66 ILE CA C 356 60.570 60.570 60.743 -0.173 17490 375 1 1 . 1 1 66 66 ILE CB C 356 41.943 41.943 39.739 2.204 17490 376 1 1 . 1 1 66 66 ILE H H 356 9.390 9.390 8.220 1.170 17490 377 1 1 . 1 1 67 67 ILE N N 357 127.255 127.255 129.692 -2.437 17490 378 1 1 . 1 1 67 67 ILE HA H 357 4.433 4.433 4.591 -0.158 17490 379 1 1 . 1 1 67 67 ILE C C 357 174.004 174.004 174.301 -0.297 17490 380 1 1 . 1 1 67 67 ILE CA C 357 59.826 59.826 60.267 -0.441 17490 381 1 1 . 1 1 67 67 ILE CB C 357 38.965 38.965 42.028 -3.063 17490 382 1 1 . 1 1 67 67 ILE H H 357 9.291 9.291 8.823 0.468 17490 383 1 1 . 1 1 68 68 ILE N N 358 124.623 124.623 128.214 -3.591 17490 384 1 1 . 1 1 68 68 ILE HA H 358 4.293 4.293 4.725 -0.432 17490 385 1 1 . 1 1 68 68 ILE C C 358 176.052 176.052 175.206 0.846 17490 386 1 1 . 1 1 68 68 ILE CA C 358 61.079 61.079 60.141 0.938 17490 387 1 1 . 1 1 68 68 ILE CB C 358 38.373 38.373 38.443 -0.070 17490 388 1 1 . 1 1 68 68 ILE H H 358 8.681 8.681 7.962 0.719 17490 389 1 1 . 1 1 69 69 PHE N N 359 126.100 126.100 126.379 -0.279 17490 390 1 1 . 1 1 69 69 PHE HA H 359 5.130 5.130 4.780 0.350 17490 391 1 1 . 1 1 69 69 PHE C C 359 175.355 175.355 177.025 -1.670 17490 392 1 1 . 1 1 69 69 PHE CA C 359 58.156 58.156 59.119 -0.963 17490 393 1 1 . 1 1 69 69 PHE CB C 359 41.592 41.592 39.399 2.193 17490 394 1 1 . 1 1 69 69 PHE H H 359 9.086 9.086 8.541 0.545 17490 395 1 1 . 1 1 70 70 ARG N N 360 115.935 115.935 118.453 -2.518 17490 396 1 1 . 1 1 70 70 ARG HA H 360 4.068 4.068 4.242 -0.174 17490 397 1 1 . 1 1 70 70 ARG C C 360 175.099 175.099 175.275 -0.176 17490 398 1 1 . 1 1 70 70 ARG CA C 360 58.594 58.594 57.438 1.156 17490 399 1 1 . 1 1 70 70 ARG CB C 360 30.664 30.664 31.054 -0.390 17490 400 1 1 . 1 1 70 70 ARG H H 360 8.268 8.268 8.611 -0.343 17490 401 1 1 . 1 1 71 71 ASP N N 361 113.892 113.892 114.372 -0.480 17490 402 1 1 . 1 1 71 71 ASP HA H 361 4.880 4.880 4.763 0.117 17490 403 1 1 . 1 1 71 71 ASP C C 361 176.087 176.087 176.517 -0.430 17490 404 1 1 . 1 1 71 71 ASP CA C 361 53.329 53.329 53.058 0.271 17490 405 1 1 . 1 1 71 71 ASP CB C 361 44.131 44.131 43.880 0.251 17490 406 1 1 . 1 1 71 71 ASP H H 361 7.673 7.673 7.593 0.080 17490 407 1 1 . 1 1 72 72 SER N N 362 118.590 118.590 119.415 -0.825 17490 408 1 1 . 1 1 72 72 SER HA H 362 4.310 4.310 4.260 0.050 17490 409 1 1 . 1 1 72 72 SER C C 362 176.600 176.600 176.128 0.472 17490 410 1 1 . 1 1 72 72 SER CA C 362 60.739 60.739 61.319 -0.580 17490 411 1 1 . 1 1 72 72 SER CB C 362 62.872 62.872 63.205 -0.333 17490 412 1 1 . 1 1 72 72 SER H H 362 9.103 9.103 8.868 0.235 17490 413 1 1 . 1 1 73 73 LYS N N 363 125.872 125.872 121.510 4.362 17490 414 1 1 . 1 1 73 73 LYS HA H 363 4.134 4.134 4.072 0.062 17490 415 1 1 . 1 1 73 73 LYS C C 363 179.386 179.386 178.712 0.674 17490 416 1 1 . 1 1 73 73 LYS CA C 363 59.283 59.283 58.860 0.423 17490 417 1 1 . 1 1 73 73 LYS CB C 363 31.491 31.491 32.170 -0.679 17490 418 1 1 . 1 1 73 73 LYS H H 363 8.332 8.332 7.757 0.575 17490 419 1 1 . 1 1 74 74 PHE N N 364 123.145 123.145 118.907 4.238 17490 420 1 1 . 1 1 74 74 PHE HA H 364 3.968 3.968 4.231 -0.263 17490 421 1 1 . 1 1 74 74 PHE C C 364 177.819 177.819 176.195 1.624 17490 422 1 1 . 1 1 74 74 PHE CA C 364 61.588 61.588 60.155 1.433 17490 423 1 1 . 1 1 74 74 PHE CB C 364 39.963 39.963 39.167 0.796 17490 424 1 1 . 1 1 74 74 PHE H H 364 8.482 8.482 7.790 0.692 17490 425 1 1 . 1 1 75 75 ALA N N 365 119.451 119.451 122.191 -2.740 17490 426 1 1 . 1 1 75 75 ALA HA H 365 3.396 3.396 3.714 -0.318 17490 427 1 1 . 1 1 75 75 ALA C C 365 178.100 178.100 179.172 -1.072 17490 428 1 1 . 1 1 75 75 ALA CA C 365 55.584 55.584 55.394 0.190 17490 429 1 1 . 1 1 75 75 ALA CB C 365 18.265 18.265 18.052 0.213 17490 430 1 1 . 1 1 75 75 ALA H H 365 7.835 7.835 8.176 -0.341 17490 431 1 1 . 1 1 76 76 ALA N N 366 117.626 117.626 119.965 -2.339 17490 432 1 1 . 1 1 76 76 ALA HA H 366 4.033 4.033 3.994 0.039 17490 433 1 1 . 1 1 76 76 ALA C C 366 180.569 180.569 178.817 1.752 17490 434 1 1 . 1 1 76 76 ALA CA C 366 54.996 54.996 54.721 0.275 17490 435 1 1 . 1 1 76 76 ALA CB C 366 18.040 18.040 18.471 -0.431 17490 436 1 1 . 1 1 76 76 ALA H H 366 7.680 7.680 7.621 0.059 17490 437 1 1 . 1 1 77 77 LYS N N 367 118.273 118.273 119.648 -1.375 17490 438 1 1 . 1 1 77 77 LYS HA H 367 3.998 3.998 3.961 0.037 17490 439 1 1 . 1 1 77 77 LYS C C 367 178.964 178.964 178.333 0.631 17490 440 1 1 . 1 1 77 77 LYS CA C 367 58.803 58.803 59.054 -0.251 17490 441 1 1 . 1 1 77 77 LYS CB C 367 32.106 32.106 32.388 -0.282 17490 442 1 1 . 1 1 77 77 LYS H H 367 7.302 7.302 7.703 -0.401 17490 443 1 1 . 1 1 78 78 MET N N 368 117.578 117.578 118.994 -1.416 17490 444 1 1 . 1 1 78 78 MET HA H 368 4.273 4.273 3.916 0.357 17490 445 1 1 . 1 1 78 78 MET C C 368 178.167 178.167 177.621 0.546 17490 446 1 1 . 1 1 78 78 MET CA C 368 55.734 55.734 56.605 -0.871 17490 447 1 1 . 1 1 78 78 MET CB C 368 32.382 32.382 31.656 0.726 17490 448 1 1 . 1 1 78 78 MET H H 368 7.785 7.785 7.762 0.023 17490 449 1 1 . 1 1 79 79 LEU N N 369 120.984 120.984 122.717 -1.733 17490 450 1 1 . 1 1 79 79 LEU HA H 369 3.786 3.786 4.169 -0.383 17490 451 1 1 . 1 1 79 79 LEU C C 369 179.060 179.060 178.889 0.171 17490 452 1 1 . 1 1 79 79 LEU CA C 369 59.377 59.377 58.282 1.095 17490 453 1 1 . 1 1 79 79 LEU CB C 369 42.354 42.354 41.949 0.405 17490 454 1 1 . 1 1 79 79 LEU H H 369 8.197 8.197 7.824 0.373 17490 455 1 1 . 1 1 80 80 MET N N 370 114.071 114.071 115.598 -1.527 17490 456 1 1 . 1 1 80 80 MET HA H 370 4.277 4.277 4.156 0.121 17490 457 1 1 . 1 1 80 80 MET C C 370 178.184 178.184 178.272 -0.088 17490 458 1 1 . 1 1 80 80 MET CA C 370 57.627 57.627 57.623 0.004 17490 459 1 1 . 1 1 80 80 MET CB C 370 32.543 32.543 32.289 0.254 17490 460 1 1 . 1 1 80 80 MET H H 370 7.018 7.018 7.780 -0.762 17490 461 1 1 . 1 1 81 81 ILE N N 371 118.056 118.056 116.077 1.979 17490 462 1 1 . 1 1 81 81 ILE HA H 371 3.885 3.885 3.850 0.035 17490 463 1 1 . 1 1 81 81 ILE C C 371 177.491 177.491 177.920 -0.429 17490 464 1 1 . 1 1 81 81 ILE CA C 371 63.571 63.571 63.121 0.450 17490 465 1 1 . 1 1 81 81 ILE CB C 371 38.716 38.716 38.194 0.522 17490 466 1 1 . 1 1 81 81 ILE H H 371 7.615 7.615 7.604 0.011 17490 467 1 1 . 1 1 82 82 LEU N N 372 116.858 116.858 121.010 -4.152 17490 468 1 1 . 1 1 82 82 LEU HA H 372 4.100 4.100 4.259 -0.159 17490 469 1 1 . 1 1 82 82 LEU C C 372 178.360 178.360 177.231 1.129 17490 470 1 1 . 1 1 82 82 LEU CA C 372 55.929 55.929 56.790 -0.861 17490 471 1 1 . 1 1 82 82 LEU CB C 372 42.309 42.309 42.903 -0.594 17490 472 1 1 . 1 1 82 82 LEU H H 372 8.160 8.160 8.518 -0.358 17490 473 1 1 . 1 1 83 83 ASN N N 373 117.015 117.015 116.184 0.831 17490 474 1 1 . 1 1 83 83 ASN HA H 373 4.348 4.348 4.611 -0.263 17490 475 1 1 . 1 1 83 83 ASN C C 373 175.671 175.671 176.059 -0.388 17490 476 1 1 . 1 1 83 83 ASN CA C 373 55.793 55.793 55.321 0.472 17490 477 1 1 . 1 1 83 83 ASN CB C 373 38.434 38.434 38.939 -0.505 17490 478 1 1 . 1 1 83 83 ASN H H 373 7.058 7.058 7.886 -0.828 17490 479 1 1 . 1 1 84 84 GLY N N 374 116.878 116.878 105.718 11.160 17490 480 1 1 . 1 1 84 84 GLY C C 374 174.602 174.602 174.494 0.108 17490 481 1 1 . 1 1 84 84 GLY CA C 374 45.842 45.842 45.860 -0.018 17490 482 1 1 . 1 1 84 84 GLY H H 374 9.053 9.053 8.155 0.898 17490 483 1 1 . 1 1 85 85 SER N N 375 116.615 116.615 115.549 1.066 17490 484 1 1 . 1 1 85 85 SER HA H 375 4.407 4.407 4.709 -0.302 17490 485 1 1 . 1 1 85 85 SER C C 375 171.580 171.580 173.586 -2.006 17490 486 1 1 . 1 1 85 85 SER CA C 375 59.280 59.280 57.545 1.735 17490 487 1 1 . 1 1 85 85 SER CB C 375 64.303 64.303 65.124 -0.821 17490 488 1 1 . 1 1 85 85 SER H H 375 7.666 7.666 7.925 -0.259 17490 489 1 1 . 1 1 86 86 GLN N N 376 117.824 117.824 119.517 -1.693 17490 490 1 1 . 1 1 86 86 GLN HA H 376 4.893 4.893 5.140 -0.247 17490 491 1 1 . 1 1 86 86 GLN C C 376 175.033 175.033 174.981 0.052 17490 492 1 1 . 1 1 86 86 GLN CA C 376 54.885 54.885 55.126 -0.241 17490 493 1 1 . 1 1 86 86 GLN CB C 376 30.733 30.733 30.766 -0.033 17490 494 1 1 . 1 1 86 86 GLN H H 376 8.381 8.381 8.438 -0.057 17490 495 1 1 . 1 1 87 87 PHE N N 377 124.095 124.095 124.252 -0.157 17490 496 1 1 . 1 1 87 87 PHE HA H 377 4.472 4.472 4.700 -0.228 17490 497 1 1 . 1 1 87 87 PHE C C 377 174.760 174.760 174.823 -0.063 17490 498 1 1 . 1 1 87 87 PHE CA C 377 56.009 56.009 58.075 -2.066 17490 499 1 1 . 1 1 87 87 PHE CB C 377 41.519 41.519 42.693 -1.174 17490 500 1 1 . 1 1 87 87 PHE H H 377 8.974 8.974 9.405 -0.431 17490 501 1 1 . 1 1 88 88 GLN N N 378 126.108 126.108 122.956 3.152 17490 502 1 1 . 1 1 88 88 GLN HA H 378 3.505 3.505 4.042 -0.537 17490 503 1 1 . 1 1 88 88 GLN C C 378 176.162 176.162 176.118 0.044 17490 504 1 1 . 1 1 88 88 GLN CA C 378 56.570 56.570 56.596 -0.026 17490 505 1 1 . 1 1 88 88 GLN CB C 378 26.070 26.070 26.854 -0.784 17490 506 1 1 . 1 1 88 88 GLN H H 378 9.139 9.139 9.385 -0.246 17490 507 1 1 . 1 1 89 89 GLY N N 379 103.132 103.132 101.159 1.973 17490 508 1 1 . 1 1 89 89 GLY C C 379 173.587 173.587 173.984 -0.397 17490 509 1 1 . 1 1 89 89 GLY CA C 379 45.382 45.382 45.078 0.304 17490 510 1 1 . 1 1 89 89 GLY H H 379 8.580 8.580 8.484 0.096 17490 511 1 1 . 1 1 90 90 LYS N N 380 119.783 119.783 119.317 0.466 17490 512 1 1 . 1 1 90 90 LYS HA H 380 4.697 4.697 4.767 -0.070 17490 513 1 1 . 1 1 90 90 LYS C C 380 174.500 174.500 174.704 -0.204 17490 514 1 1 . 1 1 90 90 LYS CA C 380 54.019 54.019 54.307 -0.288 17490 515 1 1 . 1 1 90 90 LYS CB C 380 35.919 35.919 35.811 0.108 17490 516 1 1 . 1 1 90 90 LYS H H 380 7.457 7.457 7.659 -0.202 17490 517 1 1 . 1 1 91 91 VAL N N 381 121.517 121.517 120.949 0.568 17490 518 1 1 . 1 1 91 91 VAL HA H 381 4.294 4.294 4.809 -0.515 17490 519 1 1 . 1 1 91 91 VAL C C 381 176.729 176.729 175.863 0.866 17490 520 1 1 . 1 1 91 91 VAL CA C 381 63.176 63.176 61.502 1.674 17490 521 1 1 . 1 1 91 91 VAL CB C 381 32.073 32.073 32.441 -0.368 17490 522 1 1 . 1 1 91 91 VAL H H 381 8.256 8.256 8.352 -0.096 17490 523 1 1 . 1 1 92 92 ILE N N 382 124.746 124.746 125.801 -1.055 17490 524 1 1 . 1 1 92 92 ILE HA H 382 4.533 4.533 4.635 -0.102 17490 525 1 1 . 1 1 92 92 ILE C C 382 173.501 173.501 174.327 -0.826 17490 526 1 1 . 1 1 92 92 ILE CA C 382 59.249 59.249 59.844 -0.595 17490 527 1 1 . 1 1 92 92 ILE CB C 382 41.995 41.995 39.958 2.037 17490 528 1 1 . 1 1 92 92 ILE H H 382 8.788 8.788 9.043 -0.255 17490 529 1 1 . 1 1 93 93 ARG N N 383 119.723 119.723 122.975 -3.252 17490 530 1 1 . 1 1 93 93 ARG HA H 383 4.608 4.608 4.937 -0.329 17490 531 1 1 . 1 1 93 93 ARG C C 383 173.979 173.979 174.595 -0.616 17490 532 1 1 . 1 1 93 93 ARG CA C 383 53.178 53.178 53.772 -0.594 17490 533 1 1 . 1 1 93 93 ARG CB C 383 31.724 31.724 32.899 -1.175 17490 534 1 1 . 1 1 93 93 ARG H H 383 8.500 8.500 8.384 0.116 17490 535 1 1 . 1 1 94 94 SER N N 384 110.386 110.386 114.458 -4.072 17490 536 1 1 . 1 1 94 94 SER HA H 384 5.685 5.685 4.934 0.751 17490 537 1 1 . 1 1 94 94 SER C C 384 174.791 174.791 173.242 1.549 17490 538 1 1 . 1 1 94 94 SER CA C 384 54.419 54.419 56.697 -2.279 17490 539 1 1 . 1 1 94 94 SER CB C 384 67.147 67.147 65.576 1.571 17490 540 1 1 . 1 1 94 94 SER H H 384 7.700 7.700 8.429 -0.729 17490 541 1 1 . 1 1 95 95 GLY N N 385 106.738 106.738 107.850 -1.112 17490 542 1 1 . 1 1 95 95 GLY C C 385 171.619 171.619 172.400 -0.781 17490 543 1 1 . 1 1 95 95 GLY CA C 385 45.904 45.904 46.023 -0.119 17490 544 1 1 . 1 1 95 95 GLY H H 385 8.360 8.360 8.391 -0.031 17490 545 1 1 . 1 1 96 96 THR N N 386 111.493 111.493 111.421 0.072 17490 546 1 1 . 1 1 96 96 THR HA H 386 4.604 4.604 4.753 -0.149 17490 547 1 1 . 1 1 96 96 THR C C 386 175.600 175.600 176.109 -0.509 17490 548 1 1 . 1 1 96 96 THR CA C 386 60.901 60.901 60.739 0.162 17490 549 1 1 . 1 1 96 96 THR CB C 386 71.709 71.709 71.290 0.419 17490 550 1 1 . 1 1 96 96 THR H H 386 9.274 9.274 8.161 1.113 17490 551 1 1 . 1 1 97 97 ILE N N 387 121.293 121.293 118.004 3.289 17490 552 1 1 . 1 1 97 97 ILE HA H 387 3.881 3.881 3.982 -0.101 17490 553 1 1 . 1 1 97 97 ILE C C 387 178.109 178.109 176.871 1.238 17490 554 1 1 . 1 1 97 97 ILE CA C 387 65.826 65.826 63.412 2.414 17490 555 1 1 . 1 1 97 97 ILE CB C 387 37.717 37.717 37.731 -0.014 17490 556 1 1 . 1 1 97 97 ILE H H 387 9.339 9.339 8.229 1.110 17490 557 1 1 . 1 1 98 98 ASN N N 388 117.358 117.358 118.537 -1.179 17490 558 1 1 . 1 1 98 98 ASN HA H 388 4.224 4.224 4.417 -0.193 17490 559 1 1 . 1 1 98 98 ASN C C 388 178.040 178.040 176.742 1.298 17490 560 1 1 . 1 1 98 98 ASN CA C 388 56.205 56.205 56.119 0.086 17490 561 1 1 . 1 1 98 98 ASN CB C 388 37.719 37.719 38.679 -0.960 17490 562 1 1 . 1 1 98 98 ASN H H 388 8.162 8.162 7.990 0.172 17490 563 1 1 . 1 1 99 99 ASP N N 389 121.336 121.336 120.449 0.887 17490 564 1 1 . 1 1 99 99 ASP HA H 389 4.236 4.236 4.109 0.127 17490 565 1 1 . 1 1 99 99 ASP C C 389 177.813 177.813 177.556 0.257 17490 566 1 1 . 1 1 99 99 ASP CA C 389 57.639 57.639 56.372 1.267 17490 567 1 1 . 1 1 99 99 ASP CB C 389 40.497 40.497 40.513 -0.015 17490 568 1 1 . 1 1 99 99 ASP H H 389 7.865 7.865 8.342 -0.477 17490 569 1 1 . 1 1 100 100 MET N N 390 122.932 122.932 116.501 6.431 17490 570 1 1 . 1 1 100 100 MET HA H 390 4.499 4.499 4.396 0.103 17490 571 1 1 . 1 1 100 100 MET C C 390 178.081 178.081 177.791 0.290 17490 572 1 1 . 1 1 100 100 MET CA C 390 58.402 58.402 58.994 -0.592 17490 573 1 1 . 1 1 100 100 MET CB C 390 32.263 32.263 32.649 -0.386 17490 574 1 1 . 1 1 100 100 MET H H 390 7.874 7.874 7.504 0.370 17490 575 1 1 . 1 1 101 101 LYS N N 391 118.764 118.764 120.454 -1.690 17490 576 1 1 . 1 1 101 101 LYS HA H 391 3.484 3.484 4.269 -0.785 17490 577 1 1 . 1 1 101 101 LYS C C 391 178.102 178.102 179.496 -1.394 17490 578 1 1 . 1 1 101 101 LYS CA C 391 60.070 60.070 58.780 1.290 17490 579 1 1 . 1 1 101 101 LYS CB C 391 32.468 32.468 31.585 0.883 17490 580 1 1 . 1 1 101 101 LYS H H 391 7.994 7.994 7.501 0.493 17490 581 1 1 . 1 1 102 102 ARG N N 392 118.974 118.974 120.022 -1.048 17490 582 1 1 . 1 1 102 102 ARG HA H 392 3.971 3.971 4.067 -0.096 17490 583 1 1 . 1 1 102 102 ARG C C 392 178.433 178.433 178.773 -0.340 17490 584 1 1 . 1 1 102 102 ARG CA C 392 59.485 59.485 58.696 0.789 17490 585 1 1 . 1 1 102 102 ARG CB C 392 30.282 30.282 29.609 0.673 17490 586 1 1 . 1 1 102 102 ARG H H 392 8.088 8.088 7.903 0.185 17490 587 1 1 . 1 1 103 103 TYR N N 393 119.904 119.904 119.200 0.704 17490 588 1 1 . 1 1 103 103 TYR HA H 393 4.017 4.017 4.040 -0.023 17490 589 1 1 . 1 1 103 103 TYR C C 393 177.819 177.819 178.349 -0.530 17490 590 1 1 . 1 1 103 103 TYR CA C 393 61.926 61.926 58.926 3.000 17490 591 1 1 . 1 1 103 103 TYR CB C 393 39.373 39.373 36.748 2.625 17490 592 1 1 . 1 1 103 103 TYR H H 393 8.058 8.058 7.711 0.347 17490 593 1 1 . 1 1 104 104 TYR N N 394 119.418 119.418 120.883 -1.465 17490 594 1 1 . 1 1 104 104 TYR HA H 394 4.167 4.167 4.355 -0.188 17490 595 1 1 . 1 1 104 104 TYR C C 394 177.920 177.920 177.121 0.799 17490 596 1 1 . 1 1 104 104 TYR CA C 394 61.764 61.764 60.630 1.134 17490 597 1 1 . 1 1 104 104 TYR CB C 394 39.162 39.162 38.379 0.783 17490 598 1 1 . 1 1 104 104 TYR H H 394 7.846 7.846 8.687 -0.841 17490 599 1 1 . 1 1 105 105 ASN N N 395 117.373 117.373 118.017 -0.644 17490 600 1 1 . 1 1 105 105 ASN HA H 395 4.414 4.414 3.932 0.482 17490 601 1 1 . 1 1 105 105 ASN C C 395 176.906 176.906 177.423 -0.517 17490 602 1 1 . 1 1 105 105 ASN CA C 395 55.691 55.691 56.516 -0.825 17490 603 1 1 . 1 1 105 105 ASN CB C 395 38.472 38.472 38.079 0.393 17490 604 1 1 . 1 1 105 105 ASN H H 395 8.499 8.499 8.139 0.360 17490 605 1 1 . 1 1 106 106 ASN N N 396 118.101 118.101 118.514 -0.413 17490 606 1 1 . 1 1 106 106 ASN HA H 396 4.531 4.531 4.444 0.087 17490 607 1 1 . 1 1 106 106 ASN C C 396 176.450 176.450 176.702 -0.252 17490 608 1 1 . 1 1 106 106 ASN CA C 396 54.775 54.775 56.093 -1.318 17490 609 1 1 . 1 1 106 106 ASN CB C 396 38.543 38.543 38.368 0.175 17490 610 1 1 . 1 1 106 106 ASN H H 396 8.081 8.081 8.165 -0.084 17490 611 1 1 . 1 1 107 107 GLN N N 397 118.903 118.903 118.861 0.042 17490 612 1 1 . 1 1 107 107 GLN HA H 397 3.977 3.977 4.253 -0.276 17490 613 1 1 . 1 1 107 107 GLN C C 397 176.907 176.907 177.639 -0.732 17490 614 1 1 . 1 1 107 107 GLN CA C 397 56.815 56.815 57.851 -1.036 17490 615 1 1 . 1 1 107 107 GLN CB C 397 28.610 28.610 28.940 -0.330 17490 616 1 1 . 1 1 107 107 GLN H H 397 7.772 7.772 7.615 0.157 17490 617 1 1 . 1 1 108 108 GLN N N 398 118.101 118.101 117.300 0.801 17490 618 1 1 . 1 1 108 108 GLN HA H 398 3.920 3.920 4.133 -0.213 17490 619 1 1 . 1 1 108 108 GLN C C 398 176.321 176.321 176.736 -0.415 17490 620 1 1 . 1 1 108 108 GLN CA C 398 56.554 56.554 57.154 -0.600 17490 621 1 1 . 1 1 108 108 GLN CB C 398 28.650 28.650 28.942 -0.292 17490 622 1 1 . 1 1 108 108 GLN H H 398 7.854 7.854 8.191 -0.337 17490 623 1 2 . 1 1 3 3 LEU N N 293 125.082 125.082 125.420 -0.338 17490 624 1 2 . 1 1 3 3 LEU HA H 293 4.292 4.292 4.444 -0.152 17490 625 1 2 . 1 1 3 3 LEU C C 293 177.442 177.442 177.502 -0.060 17490 626 1 2 . 1 1 3 3 LEU CA C 293 55.523 55.523 55.001 0.522 17490 627 1 2 . 1 1 3 3 LEU CB C 293 42.516 42.516 42.377 0.139 17490 628 1 2 . 1 1 3 3 LEU H H 293 8.321 8.321 8.182 0.139 17490 629 1 2 . 1 1 4 4 GLU N N 294 122.906 122.906 127.798 -4.892 17490 630 1 2 . 1 1 4 4 GLU HA H 294 4.069 4.069 3.838 0.231 17490 631 1 2 . 1 1 4 4 GLU C C 294 177.158 177.158 178.275 -1.117 17490 632 1 2 . 1 1 4 4 GLU CA C 294 58.307 58.307 59.750 -1.443 17490 633 1 2 . 1 1 4 4 GLU CB C 294 29.676 29.676 29.201 0.475 17490 634 1 2 . 1 1 4 4 GLU H H 294 8.521 8.521 8.983 -0.462 17490 635 1 2 . 1 1 5 5 ARG N N 295 120.270 120.270 118.251 2.019 17490 636 1 2 . 1 1 5 5 ARG HA H 295 4.131 4.131 4.041 0.090 17490 637 1 2 . 1 1 5 5 ARG C C 295 177.768 177.768 178.903 -1.135 17490 638 1 2 . 1 1 5 5 ARG CA C 295 58.082 58.082 59.809 -1.727 17490 639 1 2 . 1 1 5 5 ARG CB C 295 30.192 30.192 29.927 0.265 17490 640 1 2 . 1 1 5 5 ARG H H 295 8.327 8.327 8.560 -0.233 17490 641 1 2 . 1 1 6 6 ASN N N 296 118.639 118.639 118.295 0.344 17490 642 1 2 . 1 1 6 6 ASN HA H 296 4.554 4.554 4.563 -0.009 17490 643 1 2 . 1 1 6 6 ASN C C 296 176.830 176.830 177.290 -0.460 17490 644 1 2 . 1 1 6 6 ASN CA C 296 54.901 54.901 55.972 -1.071 17490 645 1 2 . 1 1 6 6 ASN CB C 296 38.115 38.115 38.432 -0.317 17490 646 1 2 . 1 1 6 6 ASN H H 296 8.257 8.257 7.904 0.353 17490 647 1 2 . 1 1 7 7 GLU N N 297 123.935 123.935 120.510 3.425 17490 648 1 2 . 1 1 7 7 GLU HA H 297 4.266 4.266 4.038 0.228 17490 649 1 2 . 1 1 7 7 GLU C C 297 178.102 178.102 179.066 -0.964 17490 650 1 2 . 1 1 7 7 GLU CA C 297 58.897 58.897 59.827 -0.930 17490 651 1 2 . 1 1 7 7 GLU CB C 297 29.814 29.814 29.595 0.219 17490 652 1 2 . 1 1 7 7 GLU H H 297 8.185 8.185 8.322 -0.137 17490 653 1 2 . 1 1 8 8 VAL N N 298 118.916 118.916 120.176 -1.260 17490 654 1 2 . 1 1 8 8 VAL HA H 298 3.399 3.399 3.684 -0.285 17490 655 1 2 . 1 1 8 8 VAL C C 298 177.131 177.131 177.986 -0.855 17490 656 1 2 . 1 1 8 8 VAL CA C 298 67.619 67.619 66.618 1.001 17490 657 1 2 . 1 1 8 8 VAL CB C 298 32.041 32.041 31.338 0.703 17490 658 1 2 . 1 1 8 8 VAL H H 298 8.095 8.095 8.607 -0.512 17490 659 1 2 . 1 1 9 9 LYS N N 299 117.791 117.791 120.089 -2.298 17490 660 1 2 . 1 1 9 9 LYS HA H 299 3.804 3.804 4.108 -0.304 17490 661 1 2 . 1 1 9 9 LYS C C 299 179.259 179.259 178.779 0.480 17490 662 1 2 . 1 1 9 9 LYS CA C 299 59.806 59.806 58.991 0.815 17490 663 1 2 . 1 1 9 9 LYS CB C 299 32.290 32.290 32.160 0.130 17490 664 1 2 . 1 1 9 9 LYS H H 299 7.771 7.771 7.735 0.036 17490 665 1 2 . 1 1 10 10 ARG N N 300 119.032 119.032 119.750 -0.718 17490 666 1 2 . 1 1 10 10 ARG HA H 300 3.934 3.934 4.092 -0.158 17490 667 1 2 . 1 1 10 10 ARG C C 300 179.680 179.680 178.923 0.757 17490 668 1 2 . 1 1 10 10 ARG CA C 300 59.444 59.444 58.924 0.520 17490 669 1 2 . 1 1 10 10 ARG CB C 300 30.190 30.190 29.925 0.265 17490 670 1 2 . 1 1 10 10 ARG H H 300 7.834 7.834 8.262 -0.428 17490 671 1 2 . 1 1 11 11 LEU N N 301 120.881 120.881 119.843 1.038 17490 672 1 2 . 1 1 11 11 LEU HA H 301 3.890 3.890 4.241 -0.351 17490 673 1 2 . 1 1 11 11 LEU C C 301 178.937 178.937 178.890 0.047 17490 674 1 2 . 1 1 11 11 LEU CA C 301 58.067 58.067 56.910 1.157 17490 675 1 2 . 1 1 11 11 LEU CB C 301 42.051 42.051 41.973 0.078 17490 676 1 2 . 1 1 11 11 LEU H H 301 8.147 8.147 7.978 0.169 17490 677 1 2 . 1 1 12 12 LEU N N 302 116.294 116.294 118.899 -2.605 17490 678 1 2 . 1 1 12 12 LEU HA H 302 3.874 3.874 4.062 -0.188 17490 679 1 2 . 1 1 12 12 LEU C C 302 177.360 177.360 178.646 -1.286 17490 680 1 2 . 1 1 12 12 LEU CA C 302 57.498 57.498 57.783 -0.285 17490 681 1 2 . 1 1 12 12 LEU CB C 302 41.506 41.506 42.105 -0.599 17490 682 1 2 . 1 1 12 12 LEU H H 302 8.331 8.331 7.724 0.607 17490 683 1 2 . 1 1 13 13 ALA N N 303 117.998 117.998 118.983 -0.985 17490 684 1 2 . 1 1 13 13 ALA HA H 303 4.480 4.480 4.390 0.090 17490 685 1 2 . 1 1 13 13 ALA C C 303 177.554 177.554 177.804 -0.250 17490 686 1 2 . 1 1 13 13 ALA CA C 303 51.290 51.290 52.258 -0.968 17490 687 1 2 . 1 1 13 13 ALA CB C 303 19.810 19.810 19.944 -0.134 17490 688 1 2 . 1 1 13 13 ALA H H 303 7.109 7.109 7.696 -0.587 17490 689 1 2 . 1 1 14 14 SER N N 304 114.833 114.833 115.108 -0.275 17490 690 1 2 . 1 1 14 14 SER HA H 304 4.175 4.175 4.268 -0.093 17490 691 1 2 . 1 1 14 14 SER C C 304 175.762 175.762 174.490 1.272 17490 692 1 2 . 1 1 14 14 SER CA C 304 59.344 59.344 59.842 -0.498 17490 693 1 2 . 1 1 14 14 SER CB C 304 63.704 63.704 63.518 0.186 17490 694 1 2 . 1 1 14 14 SER H H 304 7.265 7.265 7.667 -0.402 17490 695 1 2 . 1 1 15 15 ARG N N 305 125.370 125.370 125.661 -0.291 17490 696 1 2 . 1 1 15 15 ARG HA H 305 4.555 4.555 4.262 0.293 17490 697 1 2 . 1 1 15 15 ARG C C 305 175.442 175.442 175.997 -0.555 17490 698 1 2 . 1 1 15 15 ARG CA C 305 54.847 54.847 57.052 -2.205 17490 699 1 2 . 1 1 15 15 ARG CB C 305 30.415 30.415 30.844 -0.429 17490 700 1 2 . 1 1 15 15 ARG H H 305 8.872 8.872 8.390 0.482 17490 701 1 2 . 1 1 16 16 ASN N N 306 120.536 120.536 118.382 2.154 17490 702 1 2 . 1 1 16 16 ASN HA H 306 4.774 4.774 4.653 0.121 17490 703 1 2 . 1 1 16 16 ASN C C 306 175.146 175.146 175.930 -0.784 17490 704 1 2 . 1 1 16 16 ASN CA C 306 52.434 52.434 53.319 -0.885 17490 705 1 2 . 1 1 16 16 ASN CB C 306 38.294 38.294 37.925 0.369 17490 706 1 2 . 1 1 16 16 ASN H H 306 8.367 8.367 8.250 0.117 17490 707 1 2 . 1 1 17 17 SER N N 307 121.694 121.694 122.029 -0.335 17490 708 1 2 . 1 1 17 17 SER HA H 307 4.090 4.090 4.356 -0.266 17490 709 1 2 . 1 1 17 17 SER C C 307 175.970 175.970 174.846 1.124 17490 710 1 2 . 1 1 17 17 SER CA C 307 61.484 61.484 59.490 1.994 17490 711 1 2 . 1 1 17 17 SER CB C 307 62.850 62.850 62.932 -0.082 17490 712 1 2 . 1 1 17 17 SER H H 307 8.656 8.656 8.750 -0.094 17490 713 1 2 . 1 1 18 18 LYS N N 308 120.961 120.961 120.681 0.280 17490 714 1 2 . 1 1 18 18 LYS HA H 308 4.115 4.115 4.413 -0.298 17490 715 1 2 . 1 1 18 18 LYS C C 308 178.999 178.999 177.583 1.416 17490 716 1 2 . 1 1 18 18 LYS CA C 308 58.606 58.606 58.191 0.415 17490 717 1 2 . 1 1 18 18 LYS CB C 308 31.614 31.614 32.915 -1.301 17490 718 1 2 . 1 1 18 18 LYS H H 308 8.060 8.060 8.510 -0.450 17490 719 1 2 . 1 1 19 19 GLU N N 309 118.377 118.377 120.958 -2.581 17490 720 1 2 . 1 1 19 19 GLU HA H 309 4.198 4.198 4.107 0.091 17490 721 1 2 . 1 1 19 19 GLU C C 309 178.136 178.136 178.394 -0.258 17490 722 1 2 . 1 1 19 19 GLU CA C 309 57.939 57.939 59.522 -1.583 17490 723 1 2 . 1 1 19 19 GLU CB C 309 30.115 30.115 29.533 0.582 17490 724 1 2 . 1 1 19 19 GLU H H 309 7.520 7.520 7.656 -0.136 17490 725 1 2 . 1 1 20 20 LEU N N 310 118.101 118.101 117.005 1.096 17490 726 1 2 . 1 1 20 20 LEU HA H 310 4.168 4.168 4.132 0.036 17490 727 1 2 . 1 1 20 20 LEU C C 310 179.112 179.112 178.044 1.068 17490 728 1 2 . 1 1 20 20 LEU CA C 310 56.583 56.583 56.269 0.314 17490 729 1 2 . 1 1 20 20 LEU CB C 310 41.611 41.611 41.334 0.277 17490 730 1 2 . 1 1 20 20 LEU H H 310 7.741 7.741 7.461 0.280 17490 731 1 2 . 1 1 21 21 GLU N N 311 116.130 116.130 118.929 -2.799 17490 732 1 2 . 1 1 21 21 GLU HA H 311 4.342 4.342 4.110 0.232 17490 733 1 2 . 1 1 21 21 GLU C C 311 176.928 176.928 178.599 -1.671 17490 734 1 2 . 1 1 21 21 GLU CA C 311 58.216 58.216 58.565 -0.349 17490 735 1 2 . 1 1 21 21 GLU CB C 311 29.608 29.608 29.772 -0.164 17490 736 1 2 . 1 1 21 21 GLU H H 311 7.747 7.747 7.932 -0.185 17490 737 1 2 . 1 1 22 22 THR N N 312 106.131 106.131 117.435 -11.304 17490 738 1 2 . 1 1 22 22 THR HA H 312 4.182 4.182 4.181 0.001 17490 739 1 2 . 1 1 22 22 THR C C 312 172.032 172.032 176.060 -4.028 17490 740 1 2 . 1 1 22 22 THR CA C 312 61.539 61.539 65.576 -4.037 17490 741 1 2 . 1 1 22 22 THR CB C 312 69.426 69.426 69.137 0.289 17490 742 1 2 . 1 1 22 22 THR H H 312 7.446 7.446 7.842 -0.396 17490 743 1 2 . 1 1 23 23 LEU N N 313 120.178 120.178 118.207 1.971 17490 744 1 2 . 1 1 23 23 LEU HA H 313 5.869 5.869 4.983 0.886 17490 745 1 2 . 1 1 23 23 LEU C C 313 175.604 175.604 175.178 0.426 17490 746 1 2 . 1 1 23 23 LEU CA C 313 52.838 52.838 54.244 -1.406 17490 747 1 2 . 1 1 23 23 LEU CB C 313 46.851 46.851 44.804 2.047 17490 748 1 2 . 1 1 23 23 LEU H H 313 7.538 7.538 7.917 -0.379 17490 749 1 2 . 1 1 24 24 ILE N N 314 113.990 113.990 109.896 4.094 17490 750 1 2 . 1 1 24 24 ILE HA H 314 4.717 4.717 4.586 0.131 17490 751 1 2 . 1 1 24 24 ILE C C 314 173.530 173.530 173.714 -0.184 17490 752 1 2 . 1 1 24 24 ILE CA C 314 59.368 59.368 59.549 -0.181 17490 753 1 2 . 1 1 24 24 ILE CB C 314 42.319 42.319 41.359 0.960 17490 754 1 2 . 1 1 24 24 ILE H H 314 8.904 8.904 8.312 0.592 17490 755 1 2 . 1 1 25 25 CYS N N 315 117.755 117.755 119.411 -1.656 17490 756 1 2 . 1 1 25 25 CYS HA H 315 5.914 5.914 5.231 0.683 17490 757 1 2 . 1 1 25 25 CYS C C 315 174.153 174.153 174.590 -0.437 17490 758 1 2 . 1 1 25 25 CYS CA C 315 57.187 57.187 57.577 -0.390 17490 759 1 2 . 1 1 25 25 CYS CB C 315 31.754 31.754 29.340 2.414 17490 760 1 2 . 1 1 25 25 CYS H H 315 9.021 9.021 8.982 0.039 17490 761 1 2 . 1 1 26 26 LEU N N 316 119.952 119.952 125.198 -5.246 17490 762 1 2 . 1 1 26 26 LEU HA H 316 5.363 5.363 4.728 0.635 17490 763 1 2 . 1 1 26 26 LEU C C 316 176.015 176.015 175.536 0.479 17490 764 1 2 . 1 1 26 26 LEU CA C 316 53.072 53.072 54.939 -1.867 17490 765 1 2 . 1 1 26 26 LEU CB C 316 45.891 45.891 42.185 3.706 17490 766 1 2 . 1 1 26 26 LEU H H 316 8.778 8.778 9.069 -0.291 17490 767 1 2 . 1 1 27 27 PHE N N 317 116.116 116.116 124.584 -8.468 17490 768 1 2 . 1 1 27 27 PHE HA H 317 4.158 4.158 5.288 -1.130 17490 769 1 2 . 1 1 27 27 PHE CA C 317 55.594 55.594 54.530 1.064 17490 770 1 2 . 1 1 27 27 PHE CB C 317 37.765 37.765 41.163 -3.398 17490 771 1 2 . 1 1 27 27 PHE H H 317 7.827 7.827 8.944 -1.117 17490 772 1 2 . 1 1 28 28 PRO HA H 318 5.322 5.322 4.734 0.588 17490 773 1 2 . 1 1 28 28 PRO C C 318 175.163 175.163 175.183 -0.020 17490 774 1 2 . 1 1 28 28 PRO CA C 318 61.657 61.657 62.423 -0.766 17490 775 1 2 . 1 1 28 28 PRO CB C 318 34.356 34.356 30.954 3.402 17490 776 1 2 . 1 1 29 29 LEU N N 319 120.206 120.206 116.165 4.041 17490 777 1 2 . 1 1 29 29 LEU HA H 319 4.674 4.674 4.705 -0.031 17490 778 1 2 . 1 1 29 29 LEU C C 319 176.806 176.806 175.363 1.443 17490 779 1 2 . 1 1 29 29 LEU CA C 319 52.817 52.817 53.717 -0.900 17490 780 1 2 . 1 1 29 29 LEU CB C 319 45.029 45.029 44.319 0.710 17490 781 1 2 . 1 1 29 29 LEU H H 319 8.365 8.365 7.622 0.743 17490 782 1 2 . 1 1 30 30 SER N N 320 117.220 117.220 116.377 0.843 17490 783 1 2 . 1 1 30 30 SER HA H 320 4.475 4.475 4.532 -0.057 17490 784 1 2 . 1 1 30 30 SER C C 320 174.677 174.677 175.014 -0.337 17490 785 1 2 . 1 1 30 30 SER CA C 320 57.768 57.768 58.268 -0.500 17490 786 1 2 . 1 1 30 30 SER CB C 320 64.118 64.118 64.008 0.110 17490 787 1 2 . 1 1 30 30 SER H H 320 8.652 8.652 8.611 0.041 17490 788 1 2 . 1 1 31 31 ASP N N 321 121.514 121.514 119.520 1.994 17490 789 1 2 . 1 1 31 31 ASP HA H 321 4.471 4.471 4.608 -0.137 17490 790 1 2 . 1 1 31 31 ASP C C 321 176.811 176.811 176.302 0.509 17490 791 1 2 . 1 1 31 31 ASP CA C 321 55.388 55.388 55.190 0.198 17490 792 1 2 . 1 1 31 31 ASP CB C 321 40.060 40.060 40.955 -0.895 17490 793 1 2 . 1 1 31 31 ASP H H 321 8.587 8.587 8.637 -0.050 17490 794 1 2 . 1 1 32 32 LYS N N 322 117.990 117.990 119.794 -1.804 17490 795 1 2 . 1 1 32 32 LYS HA H 322 4.331 4.331 4.456 -0.125 17490 796 1 2 . 1 1 32 32 LYS C C 322 176.804 176.804 175.213 1.591 17490 797 1 2 . 1 1 32 32 LYS CA C 322 55.545 55.545 55.604 -0.059 17490 798 1 2 . 1 1 32 32 LYS CB C 322 31.942 31.942 33.075 -1.133 17490 799 1 2 . 1 1 32 32 LYS H H 322 8.053 8.053 8.134 -0.081 17490 800 1 2 . 1 1 33 33 VAL N N 323 119.570 119.570 115.508 4.062 17490 801 1 2 . 1 1 33 33 VAL HA H 323 3.922 3.922 4.246 -0.324 17490 802 1 2 . 1 1 33 33 VAL C C 323 173.362 173.362 175.000 -1.638 17490 803 1 2 . 1 1 33 33 VAL CA C 323 63.294 63.294 59.993 3.301 17490 804 1 2 . 1 1 33 33 VAL CB C 323 32.410 32.410 33.606 -1.196 17490 805 1 2 . 1 1 33 33 VAL H H 323 7.333 7.333 7.555 -0.222 17490 806 1 2 . 1 1 34 34 SER N N 324 118.908 118.908 116.339 2.569 17490 807 1 2 . 1 1 34 34 SER HA H 324 5.104 5.104 4.759 0.345 17490 808 1 2 . 1 1 34 34 SER CA C 324 55.114 55.114 56.040 -0.926 17490 809 1 2 . 1 1 34 34 SER CB C 324 64.522 64.522 65.291 -0.769 17490 810 1 2 . 1 1 34 34 SER H H 324 7.099 7.099 7.908 -0.809 17490 811 1 2 . 1 1 35 35 PRO HA H 325 4.038 4.038 4.119 -0.081 17490 812 1 2 . 1 1 35 35 PRO C C 325 178.107 178.107 178.249 -0.142 17490 813 1 2 . 1 1 35 35 PRO CA C 325 66.275 66.275 65.662 0.613 17490 814 1 2 . 1 1 35 35 PRO CB C 325 31.873 31.873 31.848 0.025 17490 815 1 2 . 1 1 36 36 SER N N 326 111.480 111.480 113.134 -1.654 17490 816 1 2 . 1 1 36 36 SER HA H 326 4.179 4.179 4.274 -0.095 17490 817 1 2 . 1 1 36 36 SER C C 326 176.897 176.897 176.835 0.062 17490 818 1 2 . 1 1 36 36 SER CA C 326 61.731 61.731 61.456 0.275 17490 819 1 2 . 1 1 36 36 SER CB C 326 62.211 62.211 62.465 -0.254 17490 820 1 2 . 1 1 36 36 SER H H 326 8.172 8.172 8.503 -0.331 17490 821 1 2 . 1 1 37 37 LEU N N 327 123.898 123.898 123.181 0.717 17490 822 1 2 . 1 1 37 37 LEU HA H 327 4.311 4.311 4.056 0.255 17490 823 1 2 . 1 1 37 37 LEU C C 327 180.292 180.292 179.060 1.232 17490 824 1 2 . 1 1 37 37 LEU CA C 327 57.921 57.921 57.555 0.366 17490 825 1 2 . 1 1 37 37 LEU CB C 327 42.694 42.694 41.519 1.175 17490 826 1 2 . 1 1 37 37 LEU H H 327 7.751 7.751 7.350 0.401 17490 827 1 2 . 1 1 38 38 ILE N N 328 119.411 119.411 119.816 -0.405 17490 828 1 2 . 1 1 38 38 ILE HA H 328 3.627 3.627 3.748 -0.121 17490 829 1 2 . 1 1 38 38 ILE C C 328 176.884 176.884 178.118 -1.234 17490 830 1 2 . 1 1 38 38 ILE CA C 328 65.153 65.153 66.021 -0.868 17490 831 1 2 . 1 1 38 38 ILE CB C 328 37.446 37.446 37.974 -0.528 17490 832 1 2 . 1 1 38 38 ILE H H 328 7.636 7.636 7.606 0.030 17490 833 1 2 . 1 1 39 39 CYS N N 329 120.430 120.430 118.016 2.414 17490 834 1 2 . 1 1 39 39 CYS HA H 329 3.743 3.743 3.911 -0.168 17490 835 1 2 . 1 1 39 39 CYS C C 329 176.205 176.205 177.090 -0.885 17490 836 1 2 . 1 1 39 39 CYS CA C 329 63.564 63.564 63.569 -0.005 17490 837 1 2 . 1 1 39 39 CYS CB C 329 26.285 26.285 26.883 -0.598 17490 838 1 2 . 1 1 39 39 CYS H H 329 8.640 8.640 7.590 1.050 17490 839 1 2 . 1 1 40 40 GLN N N 330 118.263 118.263 119.226 -0.963 17490 840 1 2 . 1 1 40 40 GLN HA H 330 4.099 4.099 3.961 0.138 17490 841 1 2 . 1 1 40 40 GLN C C 330 177.445 177.445 178.592 -1.147 17490 842 1 2 . 1 1 40 40 GLN CA C 330 59.496 59.496 58.697 0.799 17490 843 1 2 . 1 1 40 40 GLN CB C 330 28.469 28.469 28.055 0.414 17490 844 1 2 . 1 1 40 40 GLN H H 330 8.213 8.213 8.138 0.075 17490 845 1 2 . 1 1 41 41 PHE N N 331 121.411 121.411 120.388 1.023 17490 846 1 2 . 1 1 41 41 PHE HA H 331 4.661 4.661 4.230 0.431 17490 847 1 2 . 1 1 41 41 PHE C C 331 177.475 177.475 177.357 0.118 17490 848 1 2 . 1 1 41 41 PHE CA C 331 60.181 60.181 60.788 -0.607 17490 849 1 2 . 1 1 41 41 PHE CB C 331 39.561 39.561 38.937 0.624 17490 850 1 2 . 1 1 41 41 PHE H H 331 7.806 7.806 8.070 -0.264 17490 851 1 2 . 1 1 42 42 LEU N N 332 119.016 119.016 119.993 -0.977 17490 852 1 2 . 1 1 42 42 LEU HA H 332 3.508 3.508 3.499 0.009 17490 853 1 2 . 1 1 42 42 LEU C C 332 178.495 178.495 178.935 -0.440 17490 854 1 2 . 1 1 42 42 LEU CA C 332 57.545 57.545 57.593 -0.048 17490 855 1 2 . 1 1 42 42 LEU CB C 332 40.880 40.880 41.492 -0.612 17490 856 1 2 . 1 1 42 42 LEU H H 332 8.436 8.436 7.890 0.546 17490 857 1 2 . 1 1 43 43 GLN N N 333 116.210 116.210 117.802 -1.592 17490 858 1 2 . 1 1 43 43 GLN HA H 333 4.590 4.590 4.079 0.511 17490 859 1 2 . 1 1 43 43 GLN C C 333 178.499 178.499 178.708 -0.209 17490 860 1 2 . 1 1 43 43 GLN CA C 333 58.875 58.875 58.756 0.119 17490 861 1 2 . 1 1 43 43 GLN CB C 333 30.846 30.846 28.419 2.427 17490 862 1 2 . 1 1 43 43 GLN H H 333 8.236 8.236 8.552 -0.316 17490 863 1 2 . 1 1 44 44 GLU N N 334 117.050 117.050 119.243 -2.193 17490 864 1 2 . 1 1 44 44 GLU HA H 334 4.116 4.116 4.093 0.023 17490 865 1 2 . 1 1 44 44 GLU C C 334 177.407 177.407 178.051 -0.644 17490 866 1 2 . 1 1 44 44 GLU CA C 334 58.756 58.756 59.051 -0.295 17490 867 1 2 . 1 1 44 44 GLU CB C 334 30.518 30.518 29.748 0.770 17490 868 1 2 . 1 1 44 44 GLU H H 334 8.926 8.926 8.155 0.771 17490 869 1 2 . 1 1 45 45 GLU N N 335 114.950 114.950 117.258 -2.308 17490 870 1 2 . 1 1 45 45 GLU HA H 335 4.354 4.354 4.268 0.086 17490 871 1 2 . 1 1 45 45 GLU C C 335 176.873 176.873 178.571 -1.698 17490 872 1 2 . 1 1 45 45 GLU CA C 335 57.018 57.018 57.060 -0.042 17490 873 1 2 . 1 1 45 45 GLU CB C 335 29.537 29.537 31.006 -1.469 17490 874 1 2 . 1 1 45 45 GLU H H 335 8.054 8.054 7.562 0.492 17490 875 1 2 . 1 1 46 46 ILE N N 336 115.649 115.649 117.456 -1.807 17490 876 1 2 . 1 1 46 46 ILE HA H 336 3.895 3.895 4.043 -0.148 17490 877 1 2 . 1 1 46 46 ILE C C 336 175.873 175.873 176.001 -0.128 17490 878 1 2 . 1 1 46 46 ILE CA C 336 58.097 58.097 61.083 -2.986 17490 879 1 2 . 1 1 46 46 ILE CB C 336 35.077 35.077 37.547 -2.470 17490 880 1 2 . 1 1 46 46 ILE H H 336 6.749 6.749 7.877 -1.128 17490 881 1 2 . 1 1 47 47 HIS N N 337 111.685 111.685 115.056 -3.371 17490 882 1 2 . 1 1 47 47 HIS HA H 337 4.520 4.520 4.299 0.221 17490 883 1 2 . 1 1 47 47 HIS C C 337 174.787 174.787 173.965 0.822 17490 884 1 2 . 1 1 47 47 HIS CA C 337 56.387 56.387 56.830 -0.443 17490 885 1 2 . 1 1 47 47 HIS CB C 337 24.947 24.947 27.708 -2.761 17490 886 1 2 . 1 1 47 47 HIS H H 337 6.652 6.652 7.623 -0.971 17490 887 1 2 . 1 1 48 48 ILE N N 338 118.069 118.069 118.457 -0.388 17490 888 1 2 . 1 1 48 48 ILE HA H 338 4.433 4.433 4.006 0.427 17490 889 1 2 . 1 1 48 48 ILE C C 338 175.031 175.031 175.142 -0.111 17490 890 1 2 . 1 1 48 48 ILE CA C 338 60.737 60.737 63.484 -2.748 17490 891 1 2 . 1 1 48 48 ILE CB C 338 38.861 38.861 38.358 0.503 17490 892 1 2 . 1 1 48 48 ILE H H 338 7.963 7.963 7.300 0.663 17490 893 1 2 . 1 1 49 49 ASN N N 339 123.991 123.991 125.151 -1.160 17490 894 1 2 . 1 1 49 49 ASN HA H 339 4.691 4.691 4.893 -0.202 17490 895 1 2 . 1 1 49 49 ASN C C 339 176.381 176.381 175.804 0.577 17490 896 1 2 . 1 1 49 49 ASN CA C 339 53.296 53.296 52.162 1.134 17490 897 1 2 . 1 1 49 49 ASN CB C 339 40.570 40.570 41.643 -1.073 17490 898 1 2 . 1 1 49 49 ASN H H 339 9.222 9.222 8.071 1.151 17490 899 1 2 . 1 1 50 50 GLU N N 340 125.549 125.549 119.609 5.940 17490 900 1 2 . 1 1 50 50 GLU HA H 340 3.792 3.792 4.090 -0.298 17490 901 1 2 . 1 1 50 50 GLU C C 340 177.988 177.988 176.592 1.396 17490 902 1 2 . 1 1 50 50 GLU CA C 340 59.807 59.807 59.162 0.645 17490 903 1 2 . 1 1 50 50 GLU CB C 340 29.143 29.143 29.686 -0.543 17490 904 1 2 . 1 1 50 50 GLU H H 340 8.971 8.971 8.913 0.058 17490 905 1 2 . 1 1 51 51 LYS N N 341 116.019 116.019 114.965 1.054 17490 906 1 2 . 1 1 51 51 LYS HA H 341 4.117 4.117 4.464 -0.347 17490 907 1 2 . 1 1 51 51 LYS C C 341 177.283 177.283 176.174 1.109 17490 908 1 2 . 1 1 51 51 LYS CA C 341 57.718 57.718 56.068 1.650 17490 909 1 2 . 1 1 51 51 LYS CB C 341 31.650 31.650 32.139 -0.489 17490 910 1 2 . 1 1 51 51 LYS H H 341 8.424 8.424 7.901 0.523 17490 911 1 2 . 1 1 52 52 ASP N N 342 117.576 117.576 119.475 -1.899 17490 912 1 2 . 1 1 52 52 ASP HA H 342 4.444 4.444 4.750 -0.306 17490 913 1 2 . 1 1 52 52 ASP C C 342 175.454 175.454 175.005 0.449 17490 914 1 2 . 1 1 52 52 ASP CA C 342 56.002 56.002 55.675 0.327 17490 915 1 2 . 1 1 52 52 ASP CB C 342 41.937 41.937 44.083 -2.146 17490 916 1 2 . 1 1 52 52 ASP H H 342 7.908 7.908 7.634 0.274 17490 917 1 2 . 1 1 53 53 ILE N N 343 120.515 120.515 120.446 0.069 17490 918 1 2 . 1 1 53 53 ILE HA H 343 3.875 3.875 4.094 -0.219 17490 919 1 2 . 1 1 53 53 ILE C C 343 174.966 174.966 175.218 -0.252 17490 920 1 2 . 1 1 53 53 ILE CA C 343 61.101 61.101 60.726 0.375 17490 921 1 2 . 1 1 53 53 ILE CB C 343 39.931 39.931 39.367 0.564 17490 922 1 2 . 1 1 53 53 ILE H H 343 7.480 7.480 8.217 -0.737 17490 923 1 2 . 1 1 54 54 ARG N N 344 125.353 125.353 126.511 -1.158 17490 924 1 2 . 1 1 54 54 ARG HA H 344 4.291 4.291 4.202 0.089 17490 925 1 2 . 1 1 54 54 ARG C C 344 176.642 176.642 175.953 0.689 17490 926 1 2 . 1 1 54 54 ARG CA C 344 57.550 57.550 57.803 -0.253 17490 927 1 2 . 1 1 54 54 ARG CB C 344 30.848 30.848 31.302 -0.454 17490 928 1 2 . 1 1 54 54 ARG H H 344 9.063 9.063 8.998 0.065 17490 929 1 2 . 1 1 55 55 LYS N N 345 116.212 116.212 114.237 1.975 17490 930 1 2 . 1 1 55 55 LYS HA H 345 4.417 4.417 4.403 0.014 17490 931 1 2 . 1 1 55 55 LYS C C 345 173.004 173.004 173.710 -0.706 17490 932 1 2 . 1 1 55 55 LYS CA C 345 55.873 55.873 55.906 -0.033 17490 933 1 2 . 1 1 55 55 LYS CB C 345 36.582 36.582 34.527 2.055 17490 934 1 2 . 1 1 55 55 LYS H H 345 7.569 7.569 7.524 0.045 17490 935 1 2 . 1 1 56 56 ILE N N 346 122.685 122.685 122.102 0.583 17490 936 1 2 . 1 1 56 56 ILE HA H 346 4.731 4.731 5.200 -0.469 17490 937 1 2 . 1 1 56 56 ILE C C 346 174.163 174.163 173.744 0.419 17490 938 1 2 . 1 1 56 56 ILE CA C 346 60.843 60.843 58.934 1.909 17490 939 1 2 . 1 1 56 56 ILE CB C 346 40.816 40.816 40.539 0.277 17490 940 1 2 . 1 1 56 56 ILE H H 346 8.229 8.229 8.342 -0.113 17490 941 1 2 . 1 1 57 57 LEU N N 347 126.095 126.095 126.924 -0.829 17490 942 1 2 . 1 1 57 57 LEU HA H 347 4.775 4.775 4.726 0.049 17490 943 1 2 . 1 1 57 57 LEU C C 347 175.764 175.764 174.723 1.041 17490 944 1 2 . 1 1 57 57 LEU CA C 347 52.746 52.746 53.673 -0.927 17490 945 1 2 . 1 1 57 57 LEU CB C 347 45.364 45.364 45.932 -0.568 17490 946 1 2 . 1 1 57 57 LEU H H 347 9.279 9.279 8.749 0.530 17490 947 1 2 . 1 1 58 58 LEU N N 348 122.946 122.946 122.495 0.451 17490 948 1 2 . 1 1 58 58 LEU HA H 348 4.338 4.338 4.410 -0.072 17490 949 1 2 . 1 1 58 58 LEU C C 348 176.476 176.476 176.751 -0.275 17490 950 1 2 . 1 1 58 58 LEU CA C 348 55.221 55.221 54.618 0.603 17490 951 1 2 . 1 1 58 58 LEU CB C 348 41.496 41.496 42.066 -0.570 17490 952 1 2 . 1 1 58 58 LEU H H 348 8.925 8.925 8.523 0.402 17490 953 1 2 . 1 1 59 59 VAL N N 349 123.378 123.378 127.603 -4.225 17490 954 1 2 . 1 1 59 59 VAL HA H 349 4.385 4.385 4.271 0.114 17490 955 1 2 . 1 1 59 59 VAL C C 349 176.335 176.335 175.672 0.663 17490 956 1 2 . 1 1 59 59 VAL CA C 349 59.595 59.595 62.099 -2.504 17490 957 1 2 . 1 1 59 59 VAL CB C 349 31.100 31.100 31.312 -0.212 17490 958 1 2 . 1 1 59 59 VAL H H 349 8.637 8.637 8.845 -0.208 17490 959 1 2 . 1 1 60 60 SER N N 350 124.152 124.152 120.863 3.289 17490 960 1 2 . 1 1 60 60 SER HA H 350 3.907 3.907 4.570 -0.663 17490 961 1 2 . 1 1 60 60 SER C C 350 177.518 177.518 174.311 3.207 17490 962 1 2 . 1 1 60 60 SER CA C 350 62.261 62.261 59.318 2.943 17490 963 1 2 . 1 1 60 60 SER CB C 350 62.301 62.301 63.089 -0.788 17490 964 1 2 . 1 1 60 60 SER H H 350 8.755 8.755 8.463 0.292 17490 965 1 2 . 1 1 61 61 ASP N N 351 119.224 119.224 120.447 -1.223 17490 966 1 2 . 1 1 61 61 ASP HA H 351 3.964 3.964 4.314 -0.350 17490 967 1 2 . 1 1 61 61 ASP C C 351 174.721 174.721 174.405 0.316 17490 968 1 2 . 1 1 61 61 ASP CA C 351 56.162 56.162 54.506 1.656 17490 969 1 2 . 1 1 61 61 ASP CB C 351 40.102 40.102 39.836 0.266 17490 970 1 2 . 1 1 61 61 ASP H H 351 9.011 9.011 8.400 0.611 17490 971 1 2 . 1 1 62 62 PHE N N 352 110.179 110.179 111.271 -1.092 17490 972 1 2 . 1 1 62 62 PHE HA H 352 3.983 3.983 3.983 0.000 17490 973 1 2 . 1 1 62 62 PHE C C 352 173.268 173.268 173.947 -0.679 17490 974 1 2 . 1 1 62 62 PHE CA C 352 56.221 56.221 57.268 -1.047 17490 975 1 2 . 1 1 62 62 PHE CB C 352 39.789 39.789 39.443 0.346 17490 976 1 2 . 1 1 62 62 PHE H H 352 6.702 6.702 7.182 -0.480 17490 977 1 2 . 1 1 63 63 ASN N N 353 114.980 114.980 117.129 -2.149 17490 978 1 2 . 1 1 63 63 ASN HA H 353 4.665 4.665 4.540 0.125 17490 979 1 2 . 1 1 63 63 ASN C C 353 174.360 174.360 173.438 0.922 17490 980 1 2 . 1 1 63 63 ASN CA C 353 54.158 54.158 53.432 0.726 17490 981 1 2 . 1 1 63 63 ASN CB C 353 37.889 37.889 37.396 0.493 17490 982 1 2 . 1 1 63 63 ASN H H 353 7.708 7.708 8.226 -0.518 17490 983 1 2 . 1 1 64 64 GLY N N 354 102.117 102.117 104.891 -2.774 17490 984 1 2 . 1 1 64 64 GLY C C 354 173.093 173.093 171.681 1.412 17490 985 1 2 . 1 1 64 64 GLY CA C 354 45.413 45.413 43.507 1.907 17490 986 1 2 . 1 1 64 64 GLY H H 354 7.722 7.722 8.330 -0.608 17490 987 1 2 . 1 1 65 65 ALA N N 355 120.262 120.262 121.487 -1.225 17490 988 1 2 . 1 1 65 65 ALA HA H 355 5.055 5.055 5.110 -0.055 17490 989 1 2 . 1 1 65 65 ALA C C 355 174.731 174.731 175.576 -0.845 17490 990 1 2 . 1 1 65 65 ALA CA C 355 51.429 51.429 50.747 0.682 17490 991 1 2 . 1 1 65 65 ALA CB C 355 22.924 22.924 21.542 1.382 17490 992 1 2 . 1 1 65 65 ALA H H 355 8.785 8.785 8.651 0.134 17490 993 1 2 . 1 1 66 66 ILE N N 356 121.244 121.244 126.390 -5.146 17490 994 1 2 . 1 1 66 66 ILE HA H 356 4.711 4.711 4.570 0.141 17490 995 1 2 . 1 1 66 66 ILE C C 356 174.154 174.154 174.604 -0.450 17490 996 1 2 . 1 1 66 66 ILE CA C 356 60.570 60.570 61.691 -1.121 17490 997 1 2 . 1 1 66 66 ILE CB C 356 41.943 41.943 39.268 2.675 17490 998 1 2 . 1 1 66 66 ILE H H 356 9.390 9.390 8.252 1.138 17490 999 1 2 . 1 1 67 67 ILE N N 357 127.255 127.255 128.018 -0.763 17490 1000 1 2 . 1 1 67 67 ILE HA H 357 4.433 4.433 4.740 -0.307 17490 1001 1 2 . 1 1 67 67 ILE C C 357 174.004 174.004 174.556 -0.552 17490 1002 1 2 . 1 1 67 67 ILE CA C 357 59.826 59.826 60.291 -0.465 17490 1003 1 2 . 1 1 67 67 ILE CB C 357 38.965 38.965 42.344 -3.379 17490 1004 1 2 . 1 1 67 67 ILE H H 357 9.291 9.291 8.636 0.655 17490 1005 1 2 . 1 1 68 68 ILE N N 358 124.623 124.623 127.806 -3.183 17490 1006 1 2 . 1 1 68 68 ILE HA H 358 4.293 4.293 4.490 -0.197 17490 1007 1 2 . 1 1 68 68 ILE C C 358 176.052 176.052 175.074 0.978 17490 1008 1 2 . 1 1 68 68 ILE CA C 358 61.079 61.079 60.139 0.939 17490 1009 1 2 . 1 1 68 68 ILE CB C 358 38.373 38.373 37.663 0.710 17490 1010 1 2 . 1 1 68 68 ILE H H 358 8.681 8.681 8.085 0.596 17490 1011 1 2 . 1 1 69 69 PHE N N 359 126.100 126.100 124.920 1.180 17490 1012 1 2 . 1 1 69 69 PHE HA H 359 5.130 5.130 4.570 0.560 17490 1013 1 2 . 1 1 69 69 PHE C C 359 175.355 175.355 176.877 -1.522 17490 1014 1 2 . 1 1 69 69 PHE CA C 359 58.156 58.156 59.687 -1.531 17490 1015 1 2 . 1 1 69 69 PHE CB C 359 41.592 41.592 39.297 2.295 17490 1016 1 2 . 1 1 69 69 PHE H H 359 9.086 9.086 8.426 0.660 17490 1017 1 2 . 1 1 70 70 ARG N N 360 115.935 115.935 118.044 -2.109 17490 1018 1 2 . 1 1 70 70 ARG HA H 360 4.068 4.068 4.003 0.065 17490 1019 1 2 . 1 1 70 70 ARG C C 360 175.099 175.099 175.755 -0.656 17490 1020 1 2 . 1 1 70 70 ARG CA C 360 58.594 58.594 59.358 -0.763 17490 1021 1 2 . 1 1 70 70 ARG CB C 360 30.664 30.664 30.647 0.017 17490 1022 1 2 . 1 1 70 70 ARG H H 360 8.268 8.268 8.321 -0.053 17490 1023 1 2 . 1 1 71 71 ASP N N 361 113.892 113.892 113.278 0.614 17490 1024 1 2 . 1 1 71 71 ASP HA H 361 4.880 4.880 4.710 0.170 17490 1025 1 2 . 1 1 71 71 ASP C C 361 176.087 176.087 176.107 -0.020 17490 1026 1 2 . 1 1 71 71 ASP CA C 361 53.329 53.329 52.833 0.496 17490 1027 1 2 . 1 1 71 71 ASP CB C 361 44.131 44.131 43.116 1.015 17490 1028 1 2 . 1 1 71 71 ASP H H 361 7.673 7.673 7.643 0.030 17490 1029 1 2 . 1 1 72 72 SER N N 362 118.590 118.590 117.430 1.160 17490 1030 1 2 . 1 1 72 72 SER HA H 362 4.310 4.310 4.263 0.047 17490 1031 1 2 . 1 1 72 72 SER C C 362 176.600 176.600 176.376 0.224 17490 1032 1 2 . 1 1 72 72 SER CA C 362 60.739 60.739 61.706 -0.967 17490 1033 1 2 . 1 1 72 72 SER CB C 362 62.872 62.872 63.196 -0.324 17490 1034 1 2 . 1 1 72 72 SER H H 362 9.103 9.103 8.812 0.291 17490 1035 1 2 . 1 1 73 73 LYS N N 363 125.872 125.872 120.897 4.975 17490 1036 1 2 . 1 1 73 73 LYS HA H 363 4.134 4.134 4.009 0.125 17490 1037 1 2 . 1 1 73 73 LYS C C 363 179.386 179.386 178.424 0.962 17490 1038 1 2 . 1 1 73 73 LYS CA C 363 59.283 59.283 59.473 -0.190 17490 1039 1 2 . 1 1 73 73 LYS CB C 363 31.491 31.491 32.320 -0.829 17490 1040 1 2 . 1 1 73 73 LYS H H 363 8.332 8.332 8.453 -0.121 17490 1041 1 2 . 1 1 74 74 PHE N N 364 123.145 123.145 119.843 3.302 17490 1042 1 2 . 1 1 74 74 PHE HA H 364 3.968 3.968 4.152 -0.184 17490 1043 1 2 . 1 1 74 74 PHE C C 364 177.819 177.819 176.633 1.186 17490 1044 1 2 . 1 1 74 74 PHE CA C 364 61.588 61.588 60.887 0.701 17490 1045 1 2 . 1 1 74 74 PHE CB C 364 39.963 39.963 39.188 0.775 17490 1046 1 2 . 1 1 74 74 PHE H H 364 8.482 8.482 8.327 0.155 17490 1047 1 2 . 1 1 75 75 ALA N N 365 119.451 119.451 121.909 -2.458 17490 1048 1 2 . 1 1 75 75 ALA HA H 365 3.396 3.396 3.451 -0.055 17490 1049 1 2 . 1 1 75 75 ALA C C 365 178.100 178.100 179.255 -1.155 17490 1050 1 2 . 1 1 75 75 ALA CA C 365 55.584 55.584 55.083 0.501 17490 1051 1 2 . 1 1 75 75 ALA CB C 365 18.265 18.265 18.063 0.202 17490 1052 1 2 . 1 1 75 75 ALA H H 365 7.835 7.835 8.445 -0.610 17490 1053 1 2 . 1 1 76 76 ALA N N 366 117.626 117.626 120.061 -2.435 17490 1054 1 2 . 1 1 76 76 ALA HA H 366 4.033 4.033 4.038 -0.005 17490 1055 1 2 . 1 1 76 76 ALA C C 366 180.569 180.569 179.320 1.249 17490 1056 1 2 . 1 1 76 76 ALA CA C 366 54.996 54.996 54.868 0.127 17490 1057 1 2 . 1 1 76 76 ALA CB C 366 18.040 18.040 18.154 -0.113 17490 1058 1 2 . 1 1 76 76 ALA H H 366 7.680 7.680 8.082 -0.402 17490 1059 1 2 . 1 1 77 77 LYS N N 367 118.273 118.273 120.271 -1.998 17490 1060 1 2 . 1 1 77 77 LYS HA H 367 3.998 3.998 4.006 -0.008 17490 1061 1 2 . 1 1 77 77 LYS C C 367 178.964 178.964 178.275 0.689 17490 1062 1 2 . 1 1 77 77 LYS CA C 367 58.803 58.803 58.853 -0.050 17490 1063 1 2 . 1 1 77 77 LYS CB C 367 32.106 32.106 32.262 -0.156 17490 1064 1 2 . 1 1 77 77 LYS H H 367 7.302 7.302 7.822 -0.520 17490 1065 1 2 . 1 1 78 78 MET N N 368 117.578 117.578 118.966 -1.388 17490 1066 1 2 . 1 1 78 78 MET HA H 368 4.273 4.273 4.077 0.196 17490 1067 1 2 . 1 1 78 78 MET C C 368 178.167 178.167 177.924 0.243 17490 1068 1 2 . 1 1 78 78 MET CA C 368 55.734 55.734 57.471 -1.737 17490 1069 1 2 . 1 1 78 78 MET CB C 368 32.382 32.382 32.119 0.263 17490 1070 1 2 . 1 1 78 78 MET H H 368 7.785 7.785 7.675 0.110 17490 1071 1 2 . 1 1 79 79 LEU N N 369 120.984 120.984 122.981 -1.997 17490 1072 1 2 . 1 1 79 79 LEU HA H 369 3.786 3.786 4.024 -0.238 17490 1073 1 2 . 1 1 79 79 LEU C C 369 179.060 179.060 178.563 0.497 17490 1074 1 2 . 1 1 79 79 LEU CA C 369 59.377 59.377 58.597 0.780 17490 1075 1 2 . 1 1 79 79 LEU CB C 369 42.354 42.354 41.784 0.570 17490 1076 1 2 . 1 1 79 79 LEU H H 369 8.197 8.197 7.852 0.345 17490 1077 1 2 . 1 1 80 80 MET N N 370 114.071 114.071 114.588 -0.517 17490 1078 1 2 . 1 1 80 80 MET HA H 370 4.277 4.277 4.256 0.021 17490 1079 1 2 . 1 1 80 80 MET C C 370 178.184 178.184 177.509 0.675 17490 1080 1 2 . 1 1 80 80 MET CA C 370 57.627 57.627 58.368 -0.741 17490 1081 1 2 . 1 1 80 80 MET CB C 370 32.543 32.543 32.531 0.012 17490 1082 1 2 . 1 1 80 80 MET H H 370 7.018 7.018 7.901 -0.883 17490 1083 1 2 . 1 1 81 81 ILE N N 371 118.056 118.056 117.935 0.121 17490 1084 1 2 . 1 1 81 81 ILE HA H 371 3.885 3.885 4.027 -0.142 17490 1085 1 2 . 1 1 81 81 ILE C C 371 177.491 177.491 177.259 0.232 17490 1086 1 2 . 1 1 81 81 ILE CA C 371 63.571 63.571 61.980 1.591 17490 1087 1 2 . 1 1 81 81 ILE CB C 371 38.716 38.716 38.062 0.654 17490 1088 1 2 . 1 1 81 81 ILE H H 371 7.615 7.615 7.652 -0.037 17490 1089 1 2 . 1 1 82 82 LEU N N 372 116.858 116.858 121.337 -4.479 17490 1090 1 2 . 1 1 82 82 LEU HA H 372 4.100 4.100 4.339 -0.239 17490 1091 1 2 . 1 1 82 82 LEU C C 372 178.360 178.360 175.793 2.567 17490 1092 1 2 . 1 1 82 82 LEU CA C 372 55.929 55.929 56.153 -0.224 17490 1093 1 2 . 1 1 82 82 LEU CB C 372 42.309 42.309 43.224 -0.915 17490 1094 1 2 . 1 1 82 82 LEU H H 372 8.160 8.160 8.139 0.021 17490 1095 1 2 . 1 1 83 83 ASN N N 373 117.015 117.015 116.153 0.862 17490 1096 1 2 . 1 1 83 83 ASN HA H 373 4.348 4.348 4.706 -0.358 17490 1097 1 2 . 1 1 83 83 ASN C C 373 175.671 175.671 175.136 0.535 17490 1098 1 2 . 1 1 83 83 ASN CA C 373 55.793 55.793 53.841 1.952 17490 1099 1 2 . 1 1 83 83 ASN CB C 373 38.434 38.434 38.496 -0.062 17490 1100 1 2 . 1 1 83 83 ASN H H 373 7.058 7.058 7.937 -0.879 17490 1101 1 2 . 1 1 84 84 GLY N N 374 116.878 116.878 110.767 6.111 17490 1102 1 2 . 1 1 84 84 GLY C C 374 174.602 174.602 173.904 0.698 17490 1103 1 2 . 1 1 84 84 GLY CA C 374 45.842 45.842 45.393 0.449 17490 1104 1 2 . 1 1 84 84 GLY H H 374 9.053 9.053 8.445 0.608 17490 1105 1 2 . 1 1 85 85 SER N N 375 116.615 116.615 115.982 0.633 17490 1106 1 2 . 1 1 85 85 SER HA H 375 4.407 4.407 4.785 -0.378 17490 1107 1 2 . 1 1 85 85 SER C C 375 171.580 171.580 173.605 -2.025 17490 1108 1 2 . 1 1 85 85 SER CA C 375 59.280 59.280 57.103 2.177 17490 1109 1 2 . 1 1 85 85 SER CB C 375 64.303 64.303 64.908 -0.605 17490 1110 1 2 . 1 1 85 85 SER H H 375 7.666 7.666 8.183 -0.517 17490 1111 1 2 . 1 1 86 86 GLN N N 376 117.824 117.824 119.025 -1.201 17490 1112 1 2 . 1 1 86 86 GLN HA H 376 4.893 4.893 5.188 -0.295 17490 1113 1 2 . 1 1 86 86 GLN C C 376 175.033 175.033 174.785 0.248 17490 1114 1 2 . 1 1 86 86 GLN CA C 376 54.885 54.885 55.171 -0.286 17490 1115 1 2 . 1 1 86 86 GLN CB C 376 30.733 30.733 32.703 -1.970 17490 1116 1 2 . 1 1 86 86 GLN H H 376 8.381 8.381 8.315 0.066 17490 1117 1 2 . 1 1 87 87 PHE N N 377 124.095 124.095 123.192 0.903 17490 1118 1 2 . 1 1 87 87 PHE HA H 377 4.472 4.472 4.664 -0.192 17490 1119 1 2 . 1 1 87 87 PHE C C 377 174.760 174.760 174.391 0.369 17490 1120 1 2 . 1 1 87 87 PHE CA C 377 56.009 56.009 58.901 -2.892 17490 1121 1 2 . 1 1 87 87 PHE CB C 377 41.519 41.519 42.149 -0.630 17490 1122 1 2 . 1 1 87 87 PHE H H 377 8.974 8.974 8.988 -0.014 17490 1123 1 2 . 1 1 88 88 GLN N N 378 126.108 126.108 125.067 1.041 17490 1124 1 2 . 1 1 88 88 GLN HA H 378 3.505 3.505 3.789 -0.284 17490 1125 1 2 . 1 1 88 88 GLN C C 378 176.162 176.162 175.584 0.578 17490 1126 1 2 . 1 1 88 88 GLN CA C 378 56.570 56.570 56.776 -0.206 17490 1127 1 2 . 1 1 88 88 GLN CB C 378 26.070 26.070 27.288 -1.218 17490 1128 1 2 . 1 1 88 88 GLN H H 378 9.139 9.139 8.684 0.455 17490 1129 1 2 . 1 1 89 89 GLY N N 379 103.132 103.132 101.846 1.286 17490 1130 1 2 . 1 1 89 89 GLY C C 379 173.587 173.587 174.191 -0.604 17490 1131 1 2 . 1 1 89 89 GLY CA C 379 45.382 45.382 44.999 0.383 17490 1132 1 2 . 1 1 89 89 GLY H H 379 8.580 8.580 8.493 0.087 17490 1133 1 2 . 1 1 90 90 LYS N N 380 119.783 119.783 119.686 0.097 17490 1134 1 2 . 1 1 90 90 LYS HA H 380 4.697 4.697 4.756 -0.059 17490 1135 1 2 . 1 1 90 90 LYS C C 380 174.500 174.500 175.183 -0.683 17490 1136 1 2 . 1 1 90 90 LYS CA C 380 54.019 54.019 53.818 0.201 17490 1137 1 2 . 1 1 90 90 LYS CB C 380 35.919 35.919 35.490 0.429 17490 1138 1 2 . 1 1 90 90 LYS H H 380 7.457 7.457 7.709 -0.252 17490 1139 1 2 . 1 1 91 91 VAL N N 381 121.517 121.517 121.719 -0.202 17490 1140 1 2 . 1 1 91 91 VAL HA H 381 4.294 4.294 4.635 -0.341 17490 1141 1 2 . 1 1 91 91 VAL C C 381 176.729 176.729 175.447 1.282 17490 1142 1 2 . 1 1 91 91 VAL CA C 381 63.176 63.176 61.629 1.547 17490 1143 1 2 . 1 1 91 91 VAL CB C 381 32.073 32.073 32.326 -0.253 17490 1144 1 2 . 1 1 91 91 VAL H H 381 8.256 8.256 8.438 -0.182 17490 1145 1 2 . 1 1 92 92 ILE N N 382 124.746 124.746 123.395 1.351 17490 1146 1 2 . 1 1 92 92 ILE HA H 382 4.533 4.533 4.622 -0.089 17490 1147 1 2 . 1 1 92 92 ILE C C 382 173.501 173.501 174.130 -0.629 17490 1148 1 2 . 1 1 92 92 ILE CA C 382 59.249 59.249 60.050 -0.801 17490 1149 1 2 . 1 1 92 92 ILE CB C 382 41.995 41.995 38.712 3.283 17490 1150 1 2 . 1 1 92 92 ILE H H 382 8.788 8.788 8.173 0.615 17490 1151 1 2 . 1 1 93 93 ARG N N 383 119.723 119.723 125.020 -5.297 17490 1152 1 2 . 1 1 93 93 ARG HA H 383 4.608 4.608 4.913 -0.305 17490 1153 1 2 . 1 1 93 93 ARG C C 383 173.979 173.979 174.250 -0.271 17490 1154 1 2 . 1 1 93 93 ARG CA C 383 53.178 53.178 53.979 -0.801 17490 1155 1 2 . 1 1 93 93 ARG CB C 383 31.724 31.724 33.807 -2.083 17490 1156 1 2 . 1 1 93 93 ARG H H 383 8.500 8.500 8.605 -0.105 17490 1157 1 2 . 1 1 94 94 SER N N 384 110.386 110.386 114.080 -3.694 17490 1158 1 2 . 1 1 94 94 SER HA H 384 5.685 5.685 5.083 0.602 17490 1159 1 2 . 1 1 94 94 SER C C 384 174.791 174.791 173.049 1.742 17490 1160 1 2 . 1 1 94 94 SER CA C 384 54.419 54.419 56.919 -2.499 17490 1161 1 2 . 1 1 94 94 SER CB C 384 67.147 67.147 66.107 1.040 17490 1162 1 2 . 1 1 94 94 SER H H 384 7.700 7.700 8.166 -0.466 17490 1163 1 2 . 1 1 95 95 GLY N N 385 106.738 106.738 106.480 0.258 17490 1164 1 2 . 1 1 95 95 GLY C C 385 171.619 171.619 172.732 -1.113 17490 1165 1 2 . 1 1 95 95 GLY CA C 385 45.904 45.904 45.821 0.083 17490 1166 1 2 . 1 1 95 95 GLY H H 385 8.360 8.360 8.476 -0.116 17490 1167 1 2 . 1 1 96 96 THR N N 386 111.493 111.493 113.742 -2.249 17490 1168 1 2 . 1 1 96 96 THR HA H 386 4.604 4.604 4.863 -0.259 17490 1169 1 2 . 1 1 96 96 THR C C 386 175.600 175.600 175.466 0.134 17490 1170 1 2 . 1 1 96 96 THR CA C 386 60.901 60.901 60.410 0.491 17490 1171 1 2 . 1 1 96 96 THR CB C 386 71.709 71.709 70.885 0.824 17490 1172 1 2 . 1 1 96 96 THR H H 386 9.274 9.274 8.007 1.267 17490 1173 1 2 . 1 1 97 97 ILE N N 387 121.293 121.293 118.957 2.336 17490 1174 1 2 . 1 1 97 97 ILE HA H 387 3.881 3.881 3.871 0.010 17490 1175 1 2 . 1 1 97 97 ILE C C 387 178.109 178.109 177.761 0.348 17490 1176 1 2 . 1 1 97 97 ILE CA C 387 65.826 65.826 63.776 2.050 17490 1177 1 2 . 1 1 97 97 ILE CB C 387 37.717 37.717 36.876 0.841 17490 1178 1 2 . 1 1 97 97 ILE H H 387 9.339 9.339 8.275 1.064 17490 1179 1 2 . 1 1 98 98 ASN N N 388 117.358 117.358 119.099 -1.741 17490 1180 1 2 . 1 1 98 98 ASN HA H 388 4.224 4.224 4.346 -0.122 17490 1181 1 2 . 1 1 98 98 ASN C C 388 178.040 178.040 176.703 1.337 17490 1182 1 2 . 1 1 98 98 ASN CA C 388 56.205 56.205 56.522 -0.317 17490 1183 1 2 . 1 1 98 98 ASN CB C 388 37.719 37.719 38.420 -0.702 17490 1184 1 2 . 1 1 98 98 ASN H H 388 8.162 8.162 8.104 0.058 17490 1185 1 2 . 1 1 99 99 ASP N N 389 121.336 121.336 120.899 0.437 17490 1186 1 2 . 1 1 99 99 ASP HA H 389 4.236 4.236 4.054 0.182 17490 1187 1 2 . 1 1 99 99 ASP C C 389 177.813 177.813 177.571 0.242 17490 1188 1 2 . 1 1 99 99 ASP CA C 389 57.639 57.639 56.925 0.714 17490 1189 1 2 . 1 1 99 99 ASP CB C 389 40.497 40.497 40.793 -0.296 17490 1190 1 2 . 1 1 99 99 ASP H H 389 7.865 7.865 8.206 -0.341 17490 1191 1 2 . 1 1 100 100 MET N N 390 122.932 122.932 116.495 6.437 17490 1192 1 2 . 1 1 100 100 MET HA H 390 4.499 4.499 4.129 0.370 17490 1193 1 2 . 1 1 100 100 MET C C 390 178.081 178.081 177.940 0.141 17490 1194 1 2 . 1 1 100 100 MET CA C 390 58.402 58.402 58.310 0.092 17490 1195 1 2 . 1 1 100 100 MET CB C 390 32.263 32.263 32.682 -0.419 17490 1196 1 2 . 1 1 100 100 MET H H 390 7.874 7.874 7.302 0.572 17490 1197 1 2 . 1 1 101 101 LYS N N 391 118.764 118.764 119.890 -1.126 17490 1198 1 2 . 1 1 101 101 LYS HA H 391 3.484 3.484 4.256 -0.772 17490 1199 1 2 . 1 1 101 101 LYS C C 391 178.102 178.102 179.285 -1.183 17490 1200 1 2 . 1 1 101 101 LYS CA C 391 60.070 60.070 59.465 0.605 17490 1201 1 2 . 1 1 101 101 LYS CB C 391 32.468 32.468 31.955 0.513 17490 1202 1 2 . 1 1 101 101 LYS H H 391 7.994 7.994 7.851 0.143 17490 1203 1 2 . 1 1 102 102 ARG N N 392 118.974 118.974 119.666 -0.692 17490 1204 1 2 . 1 1 102 102 ARG HA H 392 3.971 3.971 4.137 -0.166 17490 1205 1 2 . 1 1 102 102 ARG C C 392 178.433 178.433 178.784 -0.351 17490 1206 1 2 . 1 1 102 102 ARG CA C 392 59.485 59.485 57.967 1.518 17490 1207 1 2 . 1 1 102 102 ARG CB C 392 30.282 30.282 29.265 1.017 17490 1208 1 2 . 1 1 102 102 ARG H H 392 8.088 8.088 7.888 0.200 17490 1209 1 2 . 1 1 103 103 TYR N N 393 119.904 119.904 119.249 0.655 17490 1210 1 2 . 1 1 103 103 TYR HA H 393 4.017 4.017 4.074 -0.057 17490 1211 1 2 . 1 1 103 103 TYR C C 393 177.819 177.819 178.470 -0.651 17490 1212 1 2 . 1 1 103 103 TYR CA C 393 61.926 61.926 59.511 2.415 17490 1213 1 2 . 1 1 103 103 TYR CB C 393 39.373 39.373 36.742 2.631 17490 1214 1 2 . 1 1 103 103 TYR H H 393 8.058 8.058 7.517 0.541 17490 1215 1 2 . 1 1 104 104 TYR N N 394 119.418 119.418 120.389 -0.971 17490 1216 1 2 . 1 1 104 104 TYR HA H 394 4.167 4.167 4.329 -0.162 17490 1217 1 2 . 1 1 104 104 TYR C C 394 177.920 177.920 177.360 0.560 17490 1218 1 2 . 1 1 104 104 TYR CA C 394 61.764 61.764 60.297 1.467 17490 1219 1 2 . 1 1 104 104 TYR CB C 394 39.162 39.162 38.441 0.720 17490 1220 1 2 . 1 1 104 104 TYR H H 394 7.846 7.846 8.554 -0.708 17490 1221 1 2 . 1 1 105 105 ASN N N 395 117.373 117.373 118.479 -1.106 17490 1222 1 2 . 1 1 105 105 ASN HA H 395 4.414 4.414 4.031 0.383 17490 1223 1 2 . 1 1 105 105 ASN C C 395 176.906 176.906 177.441 -0.535 17490 1224 1 2 . 1 1 105 105 ASN CA C 395 55.691 55.691 56.456 -0.765 17490 1225 1 2 . 1 1 105 105 ASN CB C 395 38.472 38.472 37.984 0.487 17490 1226 1 2 . 1 1 105 105 ASN H H 395 8.499 8.499 8.154 0.345 17490 1227 1 2 . 1 1 106 106 ASN N N 396 118.101 118.101 118.560 -0.459 17490 1228 1 2 . 1 1 106 106 ASN HA H 396 4.531 4.531 4.449 0.082 17490 1229 1 2 . 1 1 106 106 ASN C C 396 176.450 176.450 177.094 -0.644 17490 1230 1 2 . 1 1 106 106 ASN CA C 396 54.775 54.775 55.975 -1.200 17490 1231 1 2 . 1 1 106 106 ASN CB C 396 38.543 38.543 38.323 0.220 17490 1232 1 2 . 1 1 106 106 ASN H H 396 8.081 8.081 8.200 -0.119 17490 1233 1 2 . 1 1 107 107 GLN N N 397 118.903 118.903 118.919 -0.016 17490 1234 1 2 . 1 1 107 107 GLN HA H 397 3.977 3.977 4.301 -0.324 17490 1235 1 2 . 1 1 107 107 GLN C C 397 176.907 176.907 177.859 -0.952 17490 1236 1 2 . 1 1 107 107 GLN CA C 397 56.815 56.815 57.756 -0.941 17490 1237 1 2 . 1 1 107 107 GLN CB C 397 28.610 28.610 28.921 -0.311 17490 1238 1 2 . 1 1 107 107 GLN H H 397 7.772 7.772 7.729 0.043 17490 1239 1 2 . 1 1 108 108 GLN N N 398 118.101 118.101 117.151 0.950 17490 1240 1 2 . 1 1 108 108 GLN HA H 398 3.920 3.920 4.114 -0.194 17490 1241 1 2 . 1 1 108 108 GLN C C 398 176.321 176.321 176.521 -0.200 17490 1242 1 2 . 1 1 108 108 GLN CA C 398 56.554 56.554 56.603 -0.049 17490 1243 1 2 . 1 1 108 108 GLN CB C 398 28.650 28.650 29.016 -0.366 17490 1244 1 2 . 1 1 108 108 GLN H H 398 7.854 7.854 8.190 -0.336 17490 1245 1 3 . 1 1 3 3 LEU N N 293 125.082 125.082 124.684 0.398 17490 1246 1 3 . 1 1 3 3 LEU HA H 293 4.292 4.292 4.300 -0.008 17490 1247 1 3 . 1 1 3 3 LEU C C 293 177.442 177.442 177.456 -0.014 17490 1248 1 3 . 1 1 3 3 LEU CA C 293 55.523 55.523 55.241 0.282 17490 1249 1 3 . 1 1 3 3 LEU CB C 293 42.516 42.516 42.370 0.146 17490 1250 1 3 . 1 1 3 3 LEU H H 293 8.321 8.321 8.196 0.125 17490 1251 1 3 . 1 1 4 4 GLU N N 294 122.906 122.906 126.385 -3.479 17490 1252 1 3 . 1 1 4 4 GLU HA H 294 4.069 4.069 3.781 0.288 17490 1253 1 3 . 1 1 4 4 GLU C C 294 177.158 177.158 178.562 -1.404 17490 1254 1 3 . 1 1 4 4 GLU CA C 294 58.307 58.307 60.375 -2.068 17490 1255 1 3 . 1 1 4 4 GLU CB C 294 29.676 29.676 29.604 0.072 17490 1256 1 3 . 1 1 4 4 GLU H H 294 8.521 8.521 8.893 -0.372 17490 1257 1 3 . 1 1 5 5 ARG N N 295 120.270 120.270 116.625 3.645 17490 1258 1 3 . 1 1 5 5 ARG HA H 295 4.131 4.131 3.939 0.192 17490 1259 1 3 . 1 1 5 5 ARG C C 295 177.768 177.768 178.789 -1.021 17490 1260 1 3 . 1 1 5 5 ARG CA C 295 58.082 58.082 59.834 -1.752 17490 1261 1 3 . 1 1 5 5 ARG CB C 295 30.192 30.192 29.865 0.327 17490 1262 1 3 . 1 1 5 5 ARG H H 295 8.327 8.327 8.607 -0.280 17490 1263 1 3 . 1 1 6 6 ASN N N 296 118.639 118.639 118.209 0.430 17490 1264 1 3 . 1 1 6 6 ASN HA H 296 4.554 4.554 4.585 -0.031 17490 1265 1 3 . 1 1 6 6 ASN C C 296 176.830 176.830 177.771 -0.941 17490 1266 1 3 . 1 1 6 6 ASN CA C 296 54.901 54.901 55.849 -0.948 17490 1267 1 3 . 1 1 6 6 ASN CB C 296 38.115 38.115 37.976 0.139 17490 1268 1 3 . 1 1 6 6 ASN H H 296 8.257 8.257 7.892 0.365 17490 1269 1 3 . 1 1 7 7 GLU N N 297 123.935 123.935 120.798 3.137 17490 1270 1 3 . 1 1 7 7 GLU HA H 297 4.266 4.266 4.212 0.054 17490 1271 1 3 . 1 1 7 7 GLU C C 297 178.102 178.102 179.185 -1.083 17490 1272 1 3 . 1 1 7 7 GLU CA C 297 58.897 58.897 59.366 -0.469 17490 1273 1 3 . 1 1 7 7 GLU CB C 297 29.814 29.814 29.648 0.166 17490 1274 1 3 . 1 1 7 7 GLU H H 297 8.185 8.185 8.086 0.099 17490 1275 1 3 . 1 1 8 8 VAL N N 298 118.916 118.916 120.115 -1.199 17490 1276 1 3 . 1 1 8 8 VAL HA H 298 3.399 3.399 3.655 -0.256 17490 1277 1 3 . 1 1 8 8 VAL C C 298 177.131 177.131 177.755 -0.624 17490 1278 1 3 . 1 1 8 8 VAL CA C 298 67.619 67.619 66.647 0.972 17490 1279 1 3 . 1 1 8 8 VAL CB C 298 32.041 32.041 31.108 0.933 17490 1280 1 3 . 1 1 8 8 VAL H H 298 8.095 8.095 8.799 -0.704 17490 1281 1 3 . 1 1 9 9 LYS N N 299 117.791 117.791 120.544 -2.753 17490 1282 1 3 . 1 1 9 9 LYS HA H 299 3.804 3.804 3.994 -0.190 17490 1283 1 3 . 1 1 9 9 LYS C C 299 179.259 179.259 178.566 0.693 17490 1284 1 3 . 1 1 9 9 LYS CA C 299 59.806 59.806 59.918 -0.112 17490 1285 1 3 . 1 1 9 9 LYS CB C 299 32.290 32.290 32.270 0.020 17490 1286 1 3 . 1 1 9 9 LYS H H 299 7.771 7.771 7.891 -0.120 17490 1287 1 3 . 1 1 10 10 ARG N N 300 119.032 119.032 119.272 -0.240 17490 1288 1 3 . 1 1 10 10 ARG HA H 300 3.934 3.934 4.093 -0.159 17490 1289 1 3 . 1 1 10 10 ARG C C 300 179.680 179.680 179.055 0.625 17490 1290 1 3 . 1 1 10 10 ARG CA C 300 59.444 59.444 58.849 0.595 17490 1291 1 3 . 1 1 10 10 ARG CB C 300 30.190 30.190 29.954 0.236 17490 1292 1 3 . 1 1 10 10 ARG H H 300 7.834 7.834 8.039 -0.205 17490 1293 1 3 . 1 1 11 11 LEU N N 301 120.881 120.881 118.521 2.360 17490 1294 1 3 . 1 1 11 11 LEU HA H 301 3.890 3.890 4.155 -0.265 17490 1295 1 3 . 1 1 11 11 LEU C C 301 178.937 178.937 177.788 1.149 17490 1296 1 3 . 1 1 11 11 LEU CA C 301 58.067 58.067 56.733 1.334 17490 1297 1 3 . 1 1 11 11 LEU CB C 301 42.051 42.051 41.984 0.067 17490 1298 1 3 . 1 1 11 11 LEU H H 301 8.147 8.147 8.002 0.145 17490 1299 1 3 . 1 1 12 12 LEU N N 302 116.294 116.294 118.615 -2.321 17490 1300 1 3 . 1 1 12 12 LEU HA H 302 3.874 3.874 4.019 -0.145 17490 1301 1 3 . 1 1 12 12 LEU C C 302 177.360 177.360 178.380 -1.020 17490 1302 1 3 . 1 1 12 12 LEU CA C 302 57.498 57.498 57.069 0.429 17490 1303 1 3 . 1 1 12 12 LEU CB C 302 41.506 41.506 42.019 -0.513 17490 1304 1 3 . 1 1 12 12 LEU H H 302 8.331 8.331 7.910 0.421 17490 1305 1 3 . 1 1 13 13 ALA N N 303 117.998 117.998 118.031 -0.033 17490 1306 1 3 . 1 1 13 13 ALA HA H 303 4.480 4.480 4.304 0.176 17490 1307 1 3 . 1 1 13 13 ALA C C 303 177.554 177.554 177.885 -0.331 17490 1308 1 3 . 1 1 13 13 ALA CA C 303 51.290 51.290 52.445 -1.155 17490 1309 1 3 . 1 1 13 13 ALA CB C 303 19.810 19.810 19.317 0.493 17490 1310 1 3 . 1 1 13 13 ALA H H 303 7.109 7.109 7.675 -0.566 17490 1311 1 3 . 1 1 14 14 SER N N 304 114.833 114.833 115.384 -0.551 17490 1312 1 3 . 1 1 14 14 SER HA H 304 4.175 4.175 4.190 -0.015 17490 1313 1 3 . 1 1 14 14 SER C C 304 175.762 175.762 174.750 1.012 17490 1314 1 3 . 1 1 14 14 SER CA C 304 59.344 59.344 58.971 0.373 17490 1315 1 3 . 1 1 14 14 SER CB C 304 63.704 63.704 63.417 0.287 17490 1316 1 3 . 1 1 14 14 SER H H 304 7.265 7.265 7.842 -0.577 17490 1317 1 3 . 1 1 15 15 ARG N N 305 125.370 125.370 126.293 -0.923 17490 1318 1 3 . 1 1 15 15 ARG HA H 305 4.555 4.555 4.394 0.161 17490 1319 1 3 . 1 1 15 15 ARG C C 305 175.442 175.442 175.702 -0.260 17490 1320 1 3 . 1 1 15 15 ARG CA C 305 54.847 54.847 55.359 -0.512 17490 1321 1 3 . 1 1 15 15 ARG CB C 305 30.415 30.415 30.145 0.271 17490 1322 1 3 . 1 1 15 15 ARG H H 305 8.872 8.872 8.660 0.212 17490 1323 1 3 . 1 1 16 16 ASN N N 306 120.536 120.536 119.369 1.167 17490 1324 1 3 . 1 1 16 16 ASN HA H 306 4.774 4.774 4.710 0.064 17490 1325 1 3 . 1 1 16 16 ASN C C 306 175.146 175.146 176.132 -0.986 17490 1326 1 3 . 1 1 16 16 ASN CA C 306 52.434 52.434 52.942 -0.508 17490 1327 1 3 . 1 1 16 16 ASN CB C 306 38.294 38.294 38.563 -0.269 17490 1328 1 3 . 1 1 16 16 ASN H H 306 8.367 8.367 7.571 0.796 17490 1329 1 3 . 1 1 17 17 SER N N 307 121.694 121.694 123.008 -1.314 17490 1330 1 3 . 1 1 17 17 SER HA H 307 4.090 4.090 4.264 -0.174 17490 1331 1 3 . 1 1 17 17 SER C C 307 175.970 175.970 174.898 1.072 17490 1332 1 3 . 1 1 17 17 SER CA C 307 61.484 61.484 60.035 1.448 17490 1333 1 3 . 1 1 17 17 SER CB C 307 62.850 62.850 63.015 -0.165 17490 1334 1 3 . 1 1 17 17 SER H H 307 8.656 8.656 8.904 -0.248 17490 1335 1 3 . 1 1 18 18 LYS N N 308 120.961 120.961 122.163 -1.202 17490 1336 1 3 . 1 1 18 18 LYS HA H 308 4.115 4.115 4.441 -0.326 17490 1337 1 3 . 1 1 18 18 LYS C C 308 178.999 178.999 178.182 0.817 17490 1338 1 3 . 1 1 18 18 LYS CA C 308 58.606 58.606 58.630 -0.024 17490 1339 1 3 . 1 1 18 18 LYS CB C 308 31.614 31.614 32.422 -0.808 17490 1340 1 3 . 1 1 18 18 LYS H H 308 8.060 8.060 7.715 0.345 17490 1341 1 3 . 1 1 19 19 GLU N N 309 118.377 118.377 120.569 -2.192 17490 1342 1 3 . 1 1 19 19 GLU HA H 309 4.198 4.198 4.124 0.074 17490 1343 1 3 . 1 1 19 19 GLU C C 309 178.136 178.136 178.547 -0.411 17490 1344 1 3 . 1 1 19 19 GLU CA C 309 57.939 57.939 59.805 -1.866 17490 1345 1 3 . 1 1 19 19 GLU CB C 309 30.115 30.115 29.696 0.419 17490 1346 1 3 . 1 1 19 19 GLU H H 309 7.520 7.520 7.822 -0.302 17490 1347 1 3 . 1 1 20 20 LEU N N 310 118.101 118.101 117.457 0.644 17490 1348 1 3 . 1 1 20 20 LEU HA H 310 4.168 4.168 4.047 0.121 17490 1349 1 3 . 1 1 20 20 LEU C C 310 179.112 179.112 177.969 1.143 17490 1350 1 3 . 1 1 20 20 LEU CA C 310 56.583 56.583 57.327 -0.744 17490 1351 1 3 . 1 1 20 20 LEU CB C 310 41.611 41.611 41.292 0.319 17490 1352 1 3 . 1 1 20 20 LEU H H 310 7.741 7.741 7.564 0.177 17490 1353 1 3 . 1 1 21 21 GLU N N 311 116.130 116.130 118.020 -1.890 17490 1354 1 3 . 1 1 21 21 GLU HA H 311 4.342 4.342 4.081 0.261 17490 1355 1 3 . 1 1 21 21 GLU C C 311 176.928 176.928 178.577 -1.649 17490 1356 1 3 . 1 1 21 21 GLU CA C 311 58.216 58.216 58.414 -0.199 17490 1357 1 3 . 1 1 21 21 GLU CB C 311 29.608 29.608 29.553 0.055 17490 1358 1 3 . 1 1 21 21 GLU H H 311 7.747 7.747 7.540 0.207 17490 1359 1 3 . 1 1 22 22 THR N N 312 106.131 106.131 117.023 -10.892 17490 1360 1 3 . 1 1 22 22 THR HA H 312 4.182 4.182 4.159 0.023 17490 1361 1 3 . 1 1 22 22 THR C C 312 172.032 172.032 176.240 -4.208 17490 1362 1 3 . 1 1 22 22 THR CA C 312 61.539 61.539 65.400 -3.861 17490 1363 1 3 . 1 1 22 22 THR CB C 312 69.426 69.426 68.853 0.573 17490 1364 1 3 . 1 1 22 22 THR H H 312 7.446 7.446 7.913 -0.467 17490 1365 1 3 . 1 1 23 23 LEU N N 313 120.178 120.178 118.024 2.154 17490 1366 1 3 . 1 1 23 23 LEU HA H 313 5.869 5.869 5.054 0.815 17490 1367 1 3 . 1 1 23 23 LEU C C 313 175.604 175.604 175.432 0.172 17490 1368 1 3 . 1 1 23 23 LEU CA C 313 52.838 52.838 54.070 -1.232 17490 1369 1 3 . 1 1 23 23 LEU CB C 313 46.851 46.851 44.784 2.067 17490 1370 1 3 . 1 1 23 23 LEU H H 313 7.538 7.538 7.719 -0.181 17490 1371 1 3 . 1 1 24 24 ILE N N 314 113.990 113.990 111.589 2.401 17490 1372 1 3 . 1 1 24 24 ILE HA H 314 4.717 4.717 4.602 0.115 17490 1373 1 3 . 1 1 24 24 ILE C C 314 173.530 173.530 173.574 -0.044 17490 1374 1 3 . 1 1 24 24 ILE CA C 314 59.368 59.368 59.131 0.237 17490 1375 1 3 . 1 1 24 24 ILE CB C 314 42.319 42.319 41.941 0.378 17490 1376 1 3 . 1 1 24 24 ILE H H 314 8.904 8.904 8.337 0.567 17490 1377 1 3 . 1 1 25 25 CYS N N 315 117.755 117.755 118.560 -0.805 17490 1378 1 3 . 1 1 25 25 CYS HA H 315 5.914 5.914 5.366 0.548 17490 1379 1 3 . 1 1 25 25 CYS C C 315 174.153 174.153 174.121 0.032 17490 1380 1 3 . 1 1 25 25 CYS CA C 315 57.187 57.187 55.647 1.540 17490 1381 1 3 . 1 1 25 25 CYS CB C 315 31.754 31.754 28.686 3.068 17490 1382 1 3 . 1 1 25 25 CYS H H 315 9.021 9.021 9.043 -0.022 17490 1383 1 3 . 1 1 26 26 LEU N N 316 119.952 119.952 126.511 -6.559 17490 1384 1 3 . 1 1 26 26 LEU HA H 316 5.363 5.363 4.762 0.601 17490 1385 1 3 . 1 1 26 26 LEU C C 316 176.015 176.015 175.674 0.341 17490 1386 1 3 . 1 1 26 26 LEU CA C 316 53.072 53.072 55.266 -2.194 17490 1387 1 3 . 1 1 26 26 LEU CB C 316 45.891 45.891 43.117 2.774 17490 1388 1 3 . 1 1 26 26 LEU H H 316 8.778 8.778 9.059 -0.281 17490 1389 1 3 . 1 1 27 27 PHE N N 317 116.116 116.116 125.152 -9.036 17490 1390 1 3 . 1 1 27 27 PHE HA H 317 4.158 4.158 5.362 -1.204 17490 1391 1 3 . 1 1 27 27 PHE CA C 317 55.594 55.594 54.793 0.801 17490 1392 1 3 . 1 1 27 27 PHE CB C 317 37.765 37.765 40.643 -2.878 17490 1393 1 3 . 1 1 27 27 PHE H H 317 7.827 7.827 9.194 -1.367 17490 1394 1 3 . 1 1 28 28 PRO HA H 318 5.322 5.322 4.724 0.598 17490 1395 1 3 . 1 1 28 28 PRO C C 318 175.163 175.163 175.012 0.151 17490 1396 1 3 . 1 1 28 28 PRO CA C 318 61.657 61.657 62.198 -0.541 17490 1397 1 3 . 1 1 28 28 PRO CB C 318 34.356 34.356 31.886 2.470 17490 1398 1 3 . 1 1 29 29 LEU N N 319 120.206 120.206 118.090 2.116 17490 1399 1 3 . 1 1 29 29 LEU HA H 319 4.674 4.674 4.737 -0.063 17490 1400 1 3 . 1 1 29 29 LEU C C 319 176.806 176.806 175.207 1.599 17490 1401 1 3 . 1 1 29 29 LEU CA C 319 52.817 52.817 53.775 -0.958 17490 1402 1 3 . 1 1 29 29 LEU CB C 319 45.029 45.029 42.595 2.434 17490 1403 1 3 . 1 1 29 29 LEU H H 319 8.365 8.365 7.590 0.775 17490 1404 1 3 . 1 1 30 30 SER N N 320 117.220 117.220 116.892 0.328 17490 1405 1 3 . 1 1 30 30 SER HA H 320 4.475 4.475 4.674 -0.199 17490 1406 1 3 . 1 1 30 30 SER C C 320 174.677 174.677 174.556 0.121 17490 1407 1 3 . 1 1 30 30 SER CA C 320 57.768 57.768 57.247 0.521 17490 1408 1 3 . 1 1 30 30 SER CB C 320 64.118 64.118 66.709 -2.591 17490 1409 1 3 . 1 1 30 30 SER H H 320 8.652 8.652 8.150 0.502 17490 1410 1 3 . 1 1 31 31 ASP N N 321 121.514 121.514 121.031 0.483 17490 1411 1 3 . 1 1 31 31 ASP HA H 321 4.471 4.471 4.418 0.053 17490 1412 1 3 . 1 1 31 31 ASP C C 321 176.811 176.811 176.766 0.045 17490 1413 1 3 . 1 1 31 31 ASP CA C 321 55.388 55.388 56.569 -1.181 17490 1414 1 3 . 1 1 31 31 ASP CB C 321 40.060 40.060 41.085 -1.025 17490 1415 1 3 . 1 1 31 31 ASP H H 321 8.587 8.587 8.740 -0.153 17490 1416 1 3 . 1 1 32 32 LYS N N 322 117.990 117.990 116.616 1.374 17490 1417 1 3 . 1 1 32 32 LYS HA H 322 4.331 4.331 4.161 0.170 17490 1418 1 3 . 1 1 32 32 LYS C C 322 176.804 176.804 176.209 0.595 17490 1419 1 3 . 1 1 32 32 LYS CA C 322 55.545 55.545 56.353 -0.808 17490 1420 1 3 . 1 1 32 32 LYS CB C 322 31.942 31.942 32.616 -0.674 17490 1421 1 3 . 1 1 32 32 LYS H H 322 8.053 8.053 8.204 -0.151 17490 1422 1 3 . 1 1 33 33 VAL N N 323 119.570 119.570 120.040 -0.470 17490 1423 1 3 . 1 1 33 33 VAL HA H 323 3.922 3.922 4.154 -0.232 17490 1424 1 3 . 1 1 33 33 VAL C C 323 173.362 173.362 174.953 -1.591 17490 1425 1 3 . 1 1 33 33 VAL CA C 323 63.294 63.294 61.092 2.202 17490 1426 1 3 . 1 1 33 33 VAL CB C 323 32.410 32.410 33.084 -0.674 17490 1427 1 3 . 1 1 33 33 VAL H H 323 7.333 7.333 7.470 -0.137 17490 1428 1 3 . 1 1 34 34 SER N N 324 118.908 118.908 123.313 -4.405 17490 1429 1 3 . 1 1 34 34 SER HA H 324 5.104 5.104 4.782 0.322 17490 1430 1 3 . 1 1 34 34 SER CA C 324 55.114 55.114 56.296 -1.182 17490 1431 1 3 . 1 1 34 34 SER CB C 324 64.522 64.522 63.293 1.229 17490 1432 1 3 . 1 1 34 34 SER H H 324 7.099 7.099 8.443 -1.344 17490 1433 1 3 . 1 1 35 35 PRO HA H 325 4.038 4.038 4.114 -0.076 17490 1434 1 3 . 1 1 35 35 PRO C C 325 178.107 178.107 178.389 -0.282 17490 1435 1 3 . 1 1 35 35 PRO CA C 325 66.275 66.275 65.687 0.588 17490 1436 1 3 . 1 1 35 35 PRO CB C 325 31.873 31.873 31.752 0.121 17490 1437 1 3 . 1 1 36 36 SER N N 326 111.480 111.480 114.049 -2.569 17490 1438 1 3 . 1 1 36 36 SER HA H 326 4.179 4.179 4.276 -0.097 17490 1439 1 3 . 1 1 36 36 SER C C 326 176.897 176.897 176.779 0.118 17490 1440 1 3 . 1 1 36 36 SER CA C 326 61.731 61.731 61.034 0.697 17490 1441 1 3 . 1 1 36 36 SER CB C 326 62.211 62.211 62.612 -0.401 17490 1442 1 3 . 1 1 36 36 SER H H 326 8.172 8.172 8.310 -0.138 17490 1443 1 3 . 1 1 37 37 LEU N N 327 123.898 123.898 121.081 2.817 17490 1444 1 3 . 1 1 37 37 LEU HA H 327 4.311 4.311 4.068 0.243 17490 1445 1 3 . 1 1 37 37 LEU C C 327 180.292 180.292 178.810 1.482 17490 1446 1 3 . 1 1 37 37 LEU CA C 327 57.921 57.921 57.507 0.414 17490 1447 1 3 . 1 1 37 37 LEU CB C 327 42.694 42.694 41.400 1.294 17490 1448 1 3 . 1 1 37 37 LEU H H 327 7.751 7.751 8.231 -0.480 17490 1449 1 3 . 1 1 38 38 ILE N N 328 119.411 119.411 119.889 -0.478 17490 1450 1 3 . 1 1 38 38 ILE HA H 328 3.627 3.627 3.748 -0.121 17490 1451 1 3 . 1 1 38 38 ILE C C 328 176.884 176.884 178.023 -1.139 17490 1452 1 3 . 1 1 38 38 ILE CA C 328 65.153 65.153 65.484 -0.331 17490 1453 1 3 . 1 1 38 38 ILE CB C 328 37.446 37.446 37.427 0.019 17490 1454 1 3 . 1 1 38 38 ILE H H 328 7.636 7.636 7.513 0.123 17490 1455 1 3 . 1 1 39 39 CYS N N 329 120.430 120.430 117.623 2.807 17490 1456 1 3 . 1 1 39 39 CYS HA H 329 3.743 3.743 3.962 -0.219 17490 1457 1 3 . 1 1 39 39 CYS C C 329 176.205 176.205 177.247 -1.042 17490 1458 1 3 . 1 1 39 39 CYS CA C 329 63.564 63.564 62.865 0.698 17490 1459 1 3 . 1 1 39 39 CYS CB C 329 26.285 26.285 26.782 -0.497 17490 1460 1 3 . 1 1 39 39 CYS H H 329 8.640 8.640 7.762 0.878 17490 1461 1 3 . 1 1 40 40 GLN N N 330 118.263 118.263 119.265 -1.002 17490 1462 1 3 . 1 1 40 40 GLN HA H 330 4.099 4.099 3.969 0.130 17490 1463 1 3 . 1 1 40 40 GLN C C 330 177.445 177.445 178.528 -1.083 17490 1464 1 3 . 1 1 40 40 GLN CA C 330 59.496 59.496 58.720 0.776 17490 1465 1 3 . 1 1 40 40 GLN CB C 330 28.469 28.469 27.957 0.512 17490 1466 1 3 . 1 1 40 40 GLN H H 330 8.213 8.213 8.093 0.120 17490 1467 1 3 . 1 1 41 41 PHE N N 331 121.411 121.411 120.479 0.932 17490 1468 1 3 . 1 1 41 41 PHE HA H 331 4.661 4.661 4.142 0.519 17490 1469 1 3 . 1 1 41 41 PHE C C 331 177.475 177.475 177.647 -0.172 17490 1470 1 3 . 1 1 41 41 PHE CA C 331 60.181 60.181 61.022 -0.841 17490 1471 1 3 . 1 1 41 41 PHE CB C 331 39.561 39.561 38.920 0.641 17490 1472 1 3 . 1 1 41 41 PHE H H 331 7.806 7.806 8.092 -0.286 17490 1473 1 3 . 1 1 42 42 LEU N N 332 119.016 119.016 120.145 -1.129 17490 1474 1 3 . 1 1 42 42 LEU HA H 332 3.508 3.508 3.863 -0.355 17490 1475 1 3 . 1 1 42 42 LEU C C 332 178.495 178.495 179.186 -0.691 17490 1476 1 3 . 1 1 42 42 LEU CA C 332 57.545 57.545 58.630 -1.085 17490 1477 1 3 . 1 1 42 42 LEU CB C 332 40.880 40.880 41.804 -0.924 17490 1478 1 3 . 1 1 42 42 LEU H H 332 8.436 8.436 7.926 0.510 17490 1479 1 3 . 1 1 43 43 GLN N N 333 116.210 116.210 117.125 -0.915 17490 1480 1 3 . 1 1 43 43 GLN HA H 333 4.590 4.590 4.173 0.417 17490 1481 1 3 . 1 1 43 43 GLN C C 333 178.499 178.499 178.807 -0.308 17490 1482 1 3 . 1 1 43 43 GLN CA C 333 58.875 58.875 58.570 0.305 17490 1483 1 3 . 1 1 43 43 GLN CB C 333 30.846 30.846 28.400 2.446 17490 1484 1 3 . 1 1 43 43 GLN H H 333 8.236 8.236 8.481 -0.245 17490 1485 1 3 . 1 1 44 44 GLU N N 334 117.050 117.050 119.839 -2.789 17490 1486 1 3 . 1 1 44 44 GLU HA H 334 4.116 4.116 4.165 -0.049 17490 1487 1 3 . 1 1 44 44 GLU C C 334 177.407 177.407 177.779 -0.372 17490 1488 1 3 . 1 1 44 44 GLU CA C 334 58.756 58.756 59.070 -0.314 17490 1489 1 3 . 1 1 44 44 GLU CB C 334 30.518 30.518 29.767 0.751 17490 1490 1 3 . 1 1 44 44 GLU H H 334 8.926 8.926 8.475 0.451 17490 1491 1 3 . 1 1 45 45 GLU N N 335 114.950 114.950 117.050 -2.100 17490 1492 1 3 . 1 1 45 45 GLU HA H 335 4.354 4.354 4.182 0.172 17490 1493 1 3 . 1 1 45 45 GLU C C 335 176.873 176.873 178.328 -1.455 17490 1494 1 3 . 1 1 45 45 GLU CA C 335 57.018 57.018 56.912 0.106 17490 1495 1 3 . 1 1 45 45 GLU CB C 335 29.537 29.537 30.714 -1.177 17490 1496 1 3 . 1 1 45 45 GLU H H 335 8.054 8.054 7.911 0.143 17490 1497 1 3 . 1 1 46 46 ILE N N 336 115.649 115.649 117.209 -1.560 17490 1498 1 3 . 1 1 46 46 ILE HA H 336 3.895 3.895 4.080 -0.185 17490 1499 1 3 . 1 1 46 46 ILE C C 336 175.873 175.873 175.917 -0.044 17490 1500 1 3 . 1 1 46 46 ILE CA C 336 58.097 58.097 60.677 -2.580 17490 1501 1 3 . 1 1 46 46 ILE CB C 336 35.077 35.077 37.648 -2.571 17490 1502 1 3 . 1 1 46 46 ILE H H 336 6.749 6.749 7.530 -0.781 17490 1503 1 3 . 1 1 47 47 HIS N N 337 111.685 111.685 116.179 -4.494 17490 1504 1 3 . 1 1 47 47 HIS HA H 337 4.520 4.520 4.317 0.203 17490 1505 1 3 . 1 1 47 47 HIS C C 337 174.787 174.787 174.269 0.518 17490 1506 1 3 . 1 1 47 47 HIS CA C 337 56.387 56.387 56.463 -0.076 17490 1507 1 3 . 1 1 47 47 HIS CB C 337 24.947 24.947 27.690 -2.743 17490 1508 1 3 . 1 1 47 47 HIS H H 337 6.652 6.652 7.716 -1.064 17490 1509 1 3 . 1 1 48 48 ILE N N 338 118.069 118.069 119.255 -1.186 17490 1510 1 3 . 1 1 48 48 ILE HA H 338 4.433 4.433 3.901 0.532 17490 1511 1 3 . 1 1 48 48 ILE C C 338 175.031 175.031 175.003 0.028 17490 1512 1 3 . 1 1 48 48 ILE CA C 338 60.737 60.737 62.974 -2.237 17490 1513 1 3 . 1 1 48 48 ILE CB C 338 38.861 38.861 38.288 0.573 17490 1514 1 3 . 1 1 48 48 ILE H H 338 7.963 7.963 7.405 0.558 17490 1515 1 3 . 1 1 49 49 ASN N N 339 123.991 123.991 122.759 1.232 17490 1516 1 3 . 1 1 49 49 ASN HA H 339 4.691 4.691 4.804 -0.113 17490 1517 1 3 . 1 1 49 49 ASN C C 339 176.381 176.381 175.390 0.991 17490 1518 1 3 . 1 1 49 49 ASN CA C 339 53.296 53.296 51.483 1.813 17490 1519 1 3 . 1 1 49 49 ASN CB C 339 40.570 40.570 39.592 0.978 17490 1520 1 3 . 1 1 49 49 ASN H H 339 9.222 9.222 7.783 1.439 17490 1521 1 3 . 1 1 50 50 GLU N N 340 125.549 125.549 118.795 6.754 17490 1522 1 3 . 1 1 50 50 GLU HA H 340 3.792 3.792 4.096 -0.304 17490 1523 1 3 . 1 1 50 50 GLU C C 340 177.988 177.988 176.857 1.131 17490 1524 1 3 . 1 1 50 50 GLU CA C 340 59.807 59.807 58.474 1.333 17490 1525 1 3 . 1 1 50 50 GLU CB C 340 29.143 29.143 29.088 0.055 17490 1526 1 3 . 1 1 50 50 GLU H H 340 8.971 8.971 8.880 0.091 17490 1527 1 3 . 1 1 51 51 LYS N N 341 116.019 116.019 116.288 -0.269 17490 1528 1 3 . 1 1 51 51 LYS HA H 341 4.117 4.117 4.350 -0.233 17490 1529 1 3 . 1 1 51 51 LYS C C 341 177.283 177.283 177.101 0.182 17490 1530 1 3 . 1 1 51 51 LYS CA C 341 57.718 57.718 57.346 0.372 17490 1531 1 3 . 1 1 51 51 LYS CB C 341 31.650 31.650 32.514 -0.864 17490 1532 1 3 . 1 1 51 51 LYS H H 341 8.424 8.424 7.476 0.948 17490 1533 1 3 . 1 1 52 52 ASP N N 342 117.576 117.576 119.983 -2.407 17490 1534 1 3 . 1 1 52 52 ASP HA H 342 4.444 4.444 4.889 -0.445 17490 1535 1 3 . 1 1 52 52 ASP C C 342 175.454 175.454 175.371 0.083 17490 1536 1 3 . 1 1 52 52 ASP CA C 342 56.002 56.002 55.693 0.309 17490 1537 1 3 . 1 1 52 52 ASP CB C 342 41.937 41.937 43.734 -1.798 17490 1538 1 3 . 1 1 52 52 ASP H H 342 7.908 7.908 7.715 0.193 17490 1539 1 3 . 1 1 53 53 ILE N N 343 120.515 120.515 120.704 -0.189 17490 1540 1 3 . 1 1 53 53 ILE HA H 343 3.875 3.875 4.412 -0.537 17490 1541 1 3 . 1 1 53 53 ILE C C 343 174.966 174.966 176.252 -1.286 17490 1542 1 3 . 1 1 53 53 ILE CA C 343 61.101 61.101 59.109 1.992 17490 1543 1 3 . 1 1 53 53 ILE CB C 343 39.931 39.931 37.666 2.265 17490 1544 1 3 . 1 1 53 53 ILE H H 343 7.480 7.480 8.113 -0.633 17490 1545 1 3 . 1 1 54 54 ARG N N 344 125.353 125.353 127.310 -1.957 17490 1546 1 3 . 1 1 54 54 ARG HA H 344 4.291 4.291 4.216 0.075 17490 1547 1 3 . 1 1 54 54 ARG C C 344 176.642 176.642 176.256 0.386 17490 1548 1 3 . 1 1 54 54 ARG CA C 344 57.550 57.550 58.322 -0.772 17490 1549 1 3 . 1 1 54 54 ARG CB C 344 30.848 30.848 31.218 -0.370 17490 1550 1 3 . 1 1 54 54 ARG H H 344 9.063 9.063 9.061 0.002 17490 1551 1 3 . 1 1 55 55 LYS N N 345 116.212 116.212 116.378 -0.166 17490 1552 1 3 . 1 1 55 55 LYS HA H 345 4.417 4.417 4.401 0.016 17490 1553 1 3 . 1 1 55 55 LYS C C 345 173.004 173.004 173.878 -0.874 17490 1554 1 3 . 1 1 55 55 LYS CA C 345 55.873 55.873 55.734 0.139 17490 1555 1 3 . 1 1 55 55 LYS CB C 345 36.582 36.582 35.656 0.926 17490 1556 1 3 . 1 1 55 55 LYS H H 345 7.569 7.569 7.616 -0.047 17490 1557 1 3 . 1 1 56 56 ILE N N 346 122.685 122.685 124.577 -1.892 17490 1558 1 3 . 1 1 56 56 ILE HA H 346 4.731 4.731 5.280 -0.549 17490 1559 1 3 . 1 1 56 56 ILE C C 346 174.163 174.163 173.773 0.390 17490 1560 1 3 . 1 1 56 56 ILE CA C 346 60.843 60.843 58.790 2.053 17490 1561 1 3 . 1 1 56 56 ILE CB C 346 40.816 40.816 39.742 1.074 17490 1562 1 3 . 1 1 56 56 ILE H H 346 8.229 8.229 8.281 -0.052 17490 1563 1 3 . 1 1 57 57 LEU N N 347 126.095 126.095 128.607 -2.512 17490 1564 1 3 . 1 1 57 57 LEU HA H 347 4.775 4.775 4.907 -0.132 17490 1565 1 3 . 1 1 57 57 LEU C C 347 175.764 175.764 174.930 0.834 17490 1566 1 3 . 1 1 57 57 LEU CA C 347 52.746 52.746 53.483 -0.737 17490 1567 1 3 . 1 1 57 57 LEU CB C 347 45.364 45.364 45.120 0.244 17490 1568 1 3 . 1 1 57 57 LEU H H 347 9.279 9.279 8.626 0.653 17490 1569 1 3 . 1 1 58 58 LEU N N 348 122.946 122.946 122.811 0.135 17490 1570 1 3 . 1 1 58 58 LEU HA H 348 4.338 4.338 4.591 -0.253 17490 1571 1 3 . 1 1 58 58 LEU C C 348 176.476 176.476 176.189 0.287 17490 1572 1 3 . 1 1 58 58 LEU CA C 348 55.221 55.221 54.426 0.795 17490 1573 1 3 . 1 1 58 58 LEU CB C 348 41.496 41.496 44.093 -2.597 17490 1574 1 3 . 1 1 58 58 LEU H H 348 8.925 8.925 8.438 0.487 17490 1575 1 3 . 1 1 59 59 VAL N N 349 123.378 123.378 126.368 -2.990 17490 1576 1 3 . 1 1 59 59 VAL HA H 349 4.385 4.385 4.494 -0.109 17490 1577 1 3 . 1 1 59 59 VAL C C 349 176.335 176.335 175.629 0.706 17490 1578 1 3 . 1 1 59 59 VAL CA C 349 59.595 59.595 60.761 -1.166 17490 1579 1 3 . 1 1 59 59 VAL CB C 349 31.100 31.100 30.642 0.458 17490 1580 1 3 . 1 1 59 59 VAL H H 349 8.637 8.637 8.961 -0.324 17490 1581 1 3 . 1 1 60 60 SER N N 350 124.152 124.152 121.816 2.336 17490 1582 1 3 . 1 1 60 60 SER HA H 350 3.907 3.907 4.490 -0.583 17490 1583 1 3 . 1 1 60 60 SER C C 350 177.518 177.518 173.908 3.610 17490 1584 1 3 . 1 1 60 60 SER CA C 350 62.261 62.261 59.411 2.850 17490 1585 1 3 . 1 1 60 60 SER CB C 350 62.301 62.301 63.240 -0.939 17490 1586 1 3 . 1 1 60 60 SER H H 350 8.755 8.755 8.662 0.093 17490 1587 1 3 . 1 1 61 61 ASP N N 351 119.224 119.224 120.183 -0.959 17490 1588 1 3 . 1 1 61 61 ASP HA H 351 3.964 3.964 4.288 -0.324 17490 1589 1 3 . 1 1 61 61 ASP C C 351 174.721 174.721 173.673 1.048 17490 1590 1 3 . 1 1 61 61 ASP CA C 351 56.162 56.162 53.417 2.745 17490 1591 1 3 . 1 1 61 61 ASP CB C 351 40.102 40.102 40.043 0.059 17490 1592 1 3 . 1 1 61 61 ASP H H 351 9.011 9.011 8.108 0.903 17490 1593 1 3 . 1 1 62 62 PHE N N 352 110.179 110.179 113.944 -3.765 17490 1594 1 3 . 1 1 62 62 PHE HA H 352 3.983 3.983 4.006 -0.023 17490 1595 1 3 . 1 1 62 62 PHE C C 352 173.268 173.268 174.062 -0.794 17490 1596 1 3 . 1 1 62 62 PHE CA C 352 56.221 56.221 57.340 -1.119 17490 1597 1 3 . 1 1 62 62 PHE CB C 352 39.789 39.789 40.703 -0.914 17490 1598 1 3 . 1 1 62 62 PHE H H 352 6.702 6.702 6.977 -0.275 17490 1599 1 3 . 1 1 63 63 ASN N N 353 114.980 114.980 117.476 -2.496 17490 1600 1 3 . 1 1 63 63 ASN HA H 353 4.665 4.665 4.520 0.145 17490 1601 1 3 . 1 1 63 63 ASN C C 353 174.360 174.360 173.669 0.691 17490 1602 1 3 . 1 1 63 63 ASN CA C 353 54.158 54.158 53.709 0.450 17490 1603 1 3 . 1 1 63 63 ASN CB C 353 37.889 37.889 36.792 1.097 17490 1604 1 3 . 1 1 63 63 ASN H H 353 7.708 7.708 8.172 -0.464 17490 1605 1 3 . 1 1 64 64 GLY N N 354 102.117 102.117 105.322 -3.205 17490 1606 1 3 . 1 1 64 64 GLY C C 354 173.093 173.093 171.507 1.586 17490 1607 1 3 . 1 1 64 64 GLY CA C 354 45.413 45.413 44.967 0.446 17490 1608 1 3 . 1 1 64 64 GLY H H 354 7.722 7.722 8.284 -0.562 17490 1609 1 3 . 1 1 65 65 ALA N N 355 120.262 120.262 121.413 -1.151 17490 1610 1 3 . 1 1 65 65 ALA HA H 355 5.055 5.055 5.201 -0.146 17490 1611 1 3 . 1 1 65 65 ALA C C 355 174.731 174.731 175.698 -0.967 17490 1612 1 3 . 1 1 65 65 ALA CA C 355 51.429 51.429 50.891 0.538 17490 1613 1 3 . 1 1 65 65 ALA CB C 355 22.924 22.924 21.843 1.081 17490 1614 1 3 . 1 1 65 65 ALA H H 355 8.785 8.785 8.322 0.463 17490 1615 1 3 . 1 1 66 66 ILE N N 356 121.244 121.244 126.362 -5.118 17490 1616 1 3 . 1 1 66 66 ILE HA H 356 4.711 4.711 4.595 0.116 17490 1617 1 3 . 1 1 66 66 ILE C C 356 174.154 174.154 174.827 -0.673 17490 1618 1 3 . 1 1 66 66 ILE CA C 356 60.570 60.570 61.829 -1.259 17490 1619 1 3 . 1 1 66 66 ILE CB C 356 41.943 41.943 38.971 2.972 17490 1620 1 3 . 1 1 66 66 ILE H H 356 9.390 9.390 8.357 1.033 17490 1621 1 3 . 1 1 67 67 ILE N N 357 127.255 127.255 128.642 -1.387 17490 1622 1 3 . 1 1 67 67 ILE HA H 357 4.433 4.433 4.696 -0.263 17490 1623 1 3 . 1 1 67 67 ILE C C 357 174.004 174.004 174.644 -0.640 17490 1624 1 3 . 1 1 67 67 ILE CA C 357 59.826 59.826 60.114 -0.288 17490 1625 1 3 . 1 1 67 67 ILE CB C 357 38.965 38.965 41.789 -2.824 17490 1626 1 3 . 1 1 67 67 ILE H H 357 9.291 9.291 9.025 0.266 17490 1627 1 3 . 1 1 68 68 ILE N N 358 124.623 124.623 128.187 -3.564 17490 1628 1 3 . 1 1 68 68 ILE HA H 358 4.293 4.293 4.393 -0.099 17490 1629 1 3 . 1 1 68 68 ILE C C 358 176.052 176.052 175.013 1.039 17490 1630 1 3 . 1 1 68 68 ILE CA C 358 61.079 61.079 60.257 0.822 17490 1631 1 3 . 1 1 68 68 ILE CB C 358 38.373 38.373 38.017 0.356 17490 1632 1 3 . 1 1 68 68 ILE H H 358 8.681 8.681 8.113 0.568 17490 1633 1 3 . 1 1 69 69 PHE N N 359 126.100 126.100 125.720 0.380 17490 1634 1 3 . 1 1 69 69 PHE HA H 359 5.130 5.130 4.769 0.361 17490 1635 1 3 . 1 1 69 69 PHE C C 359 175.355 175.355 176.870 -1.515 17490 1636 1 3 . 1 1 69 69 PHE CA C 359 58.156 58.156 58.866 -0.710 17490 1637 1 3 . 1 1 69 69 PHE CB C 359 41.592 41.592 39.329 2.263 17490 1638 1 3 . 1 1 69 69 PHE H H 359 9.086 9.086 8.529 0.557 17490 1639 1 3 . 1 1 70 70 ARG N N 360 115.935 115.935 117.801 -1.866 17490 1640 1 3 . 1 1 70 70 ARG HA H 360 4.068 4.068 4.116 -0.048 17490 1641 1 3 . 1 1 70 70 ARG C C 360 175.099 175.099 175.272 -0.173 17490 1642 1 3 . 1 1 70 70 ARG CA C 360 58.594 58.594 58.147 0.448 17490 1643 1 3 . 1 1 70 70 ARG CB C 360 30.664 30.664 30.869 -0.205 17490 1644 1 3 . 1 1 70 70 ARG H H 360 8.268 8.268 8.531 -0.263 17490 1645 1 3 . 1 1 71 71 ASP N N 361 113.892 113.892 113.001 0.891 17490 1646 1 3 . 1 1 71 71 ASP HA H 361 4.880 4.880 4.633 0.247 17490 1647 1 3 . 1 1 71 71 ASP C C 361 176.087 176.087 176.484 -0.397 17490 1648 1 3 . 1 1 71 71 ASP CA C 361 53.329 53.329 53.062 0.267 17490 1649 1 3 . 1 1 71 71 ASP CB C 361 44.131 44.131 43.553 0.578 17490 1650 1 3 . 1 1 71 71 ASP H H 361 7.673 7.673 7.659 0.014 17490 1651 1 3 . 1 1 72 72 SER N N 362 118.590 118.590 118.455 0.135 17490 1652 1 3 . 1 1 72 72 SER HA H 362 4.310 4.310 4.437 -0.127 17490 1653 1 3 . 1 1 72 72 SER C C 362 176.600 176.600 176.080 0.520 17490 1654 1 3 . 1 1 72 72 SER CA C 362 60.739 60.739 61.318 -0.579 17490 1655 1 3 . 1 1 72 72 SER CB C 362 62.872 62.872 63.346 -0.474 17490 1656 1 3 . 1 1 72 72 SER H H 362 9.103 9.103 8.701 0.402 17490 1657 1 3 . 1 1 73 73 LYS N N 363 125.872 125.872 121.675 4.197 17490 1658 1 3 . 1 1 73 73 LYS HA H 363 4.134 4.134 3.845 0.289 17490 1659 1 3 . 1 1 73 73 LYS C C 363 179.386 179.386 178.885 0.501 17490 1660 1 3 . 1 1 73 73 LYS CA C 363 59.283 59.283 58.904 0.379 17490 1661 1 3 . 1 1 73 73 LYS CB C 363 31.491 31.491 31.894 -0.403 17490 1662 1 3 . 1 1 73 73 LYS H H 363 8.332 8.332 8.439 -0.107 17490 1663 1 3 . 1 1 74 74 PHE N N 364 123.145 123.145 117.021 6.124 17490 1664 1 3 . 1 1 74 74 PHE HA H 364 3.968 3.968 4.310 -0.342 17490 1665 1 3 . 1 1 74 74 PHE C C 364 177.819 177.819 177.196 0.623 17490 1666 1 3 . 1 1 74 74 PHE CA C 364 61.588 61.588 58.629 2.959 17490 1667 1 3 . 1 1 74 74 PHE CB C 364 39.963 39.963 37.660 2.303 17490 1668 1 3 . 1 1 74 74 PHE H H 364 8.482 8.482 6.854 1.628 17490 1669 1 3 . 1 1 75 75 ALA N N 365 119.451 119.451 123.210 -3.759 17490 1670 1 3 . 1 1 75 75 ALA HA H 365 3.396 3.396 3.736 -0.340 17490 1671 1 3 . 1 1 75 75 ALA C C 365 178.100 178.100 178.829 -0.729 17490 1672 1 3 . 1 1 75 75 ALA CA C 365 55.584 55.584 54.953 0.631 17490 1673 1 3 . 1 1 75 75 ALA CB C 365 18.265 18.265 17.985 0.280 17490 1674 1 3 . 1 1 75 75 ALA H H 365 7.835 7.835 7.531 0.304 17490 1675 1 3 . 1 1 76 76 ALA N N 366 117.626 117.626 120.310 -2.684 17490 1676 1 3 . 1 1 76 76 ALA HA H 366 4.033 4.033 4.136 -0.103 17490 1677 1 3 . 1 1 76 76 ALA C C 366 180.569 180.569 179.294 1.275 17490 1678 1 3 . 1 1 76 76 ALA CA C 366 54.996 54.996 54.816 0.180 17490 1679 1 3 . 1 1 76 76 ALA CB C 366 18.040 18.040 18.269 -0.229 17490 1680 1 3 . 1 1 76 76 ALA H H 366 7.680 7.680 7.833 -0.153 17490 1681 1 3 . 1 1 77 77 LYS N N 367 118.273 118.273 119.550 -1.277 17490 1682 1 3 . 1 1 77 77 LYS HA H 367 3.998 3.998 4.042 -0.044 17490 1683 1 3 . 1 1 77 77 LYS C C 367 178.964 178.964 178.588 0.376 17490 1684 1 3 . 1 1 77 77 LYS CA C 367 58.803 58.803 59.298 -0.495 17490 1685 1 3 . 1 1 77 77 LYS CB C 367 32.106 32.106 32.465 -0.359 17490 1686 1 3 . 1 1 77 77 LYS H H 367 7.302 7.302 7.797 -0.495 17490 1687 1 3 . 1 1 78 78 MET N N 368 117.578 117.578 119.119 -1.541 17490 1688 1 3 . 1 1 78 78 MET HA H 368 4.273 4.273 4.260 0.013 17490 1689 1 3 . 1 1 78 78 MET C C 368 178.167 178.167 178.041 0.126 17490 1690 1 3 . 1 1 78 78 MET CA C 368 55.734 55.734 58.103 -2.369 17490 1691 1 3 . 1 1 78 78 MET CB C 368 32.382 32.382 32.558 -0.176 17490 1692 1 3 . 1 1 78 78 MET H H 368 7.785 7.785 7.993 -0.208 17490 1693 1 3 . 1 1 79 79 LEU N N 369 120.984 120.984 123.268 -2.284 17490 1694 1 3 . 1 1 79 79 LEU HA H 369 3.786 3.786 4.207 -0.421 17490 1695 1 3 . 1 1 79 79 LEU C C 369 179.060 179.060 179.142 -0.082 17490 1696 1 3 . 1 1 79 79 LEU CA C 369 59.377 59.377 58.113 1.264 17490 1697 1 3 . 1 1 79 79 LEU CB C 369 42.354 42.354 42.151 0.203 17490 1698 1 3 . 1 1 79 79 LEU H H 369 8.197 8.197 8.080 0.117 17490 1699 1 3 . 1 1 80 80 MET N N 370 114.071 114.071 115.002 -0.931 17490 1700 1 3 . 1 1 80 80 MET HA H 370 4.277 4.277 4.253 0.024 17490 1701 1 3 . 1 1 80 80 MET C C 370 178.184 178.184 178.165 0.019 17490 1702 1 3 . 1 1 80 80 MET CA C 370 57.627 57.627 57.395 0.232 17490 1703 1 3 . 1 1 80 80 MET CB C 370 32.543 32.543 32.154 0.389 17490 1704 1 3 . 1 1 80 80 MET H H 370 7.018 7.018 7.895 -0.877 17490 1705 1 3 . 1 1 81 81 ILE N N 371 118.056 118.056 116.574 1.482 17490 1706 1 3 . 1 1 81 81 ILE HA H 371 3.885 3.885 4.067 -0.182 17490 1707 1 3 . 1 1 81 81 ILE C C 371 177.491 177.491 177.808 -0.317 17490 1708 1 3 . 1 1 81 81 ILE CA C 371 63.571 63.571 61.986 1.585 17490 1709 1 3 . 1 1 81 81 ILE CB C 371 38.716 38.716 37.796 0.920 17490 1710 1 3 . 1 1 81 81 ILE H H 371 7.615 7.615 7.890 -0.275 17490 1711 1 3 . 1 1 82 82 LEU N N 372 116.858 116.858 119.632 -2.774 17490 1712 1 3 . 1 1 82 82 LEU HA H 372 4.100 4.100 4.477 -0.377 17490 1713 1 3 . 1 1 82 82 LEU C C 372 178.360 178.360 176.261 2.099 17490 1714 1 3 . 1 1 82 82 LEU CA C 372 55.929 55.929 55.506 0.423 17490 1715 1 3 . 1 1 82 82 LEU CB C 372 42.309 42.309 43.577 -1.268 17490 1716 1 3 . 1 1 82 82 LEU H H 372 8.160 8.160 8.346 -0.186 17490 1717 1 3 . 1 1 83 83 ASN N N 373 117.015 117.015 117.218 -0.203 17490 1718 1 3 . 1 1 83 83 ASN HA H 373 4.348 4.348 4.715 -0.367 17490 1719 1 3 . 1 1 83 83 ASN C C 373 175.671 175.671 174.727 0.944 17490 1720 1 3 . 1 1 83 83 ASN CA C 373 55.793 55.793 54.626 1.167 17490 1721 1 3 . 1 1 83 83 ASN CB C 373 38.434 38.434 38.594 -0.160 17490 1722 1 3 . 1 1 83 83 ASN H H 373 7.058 7.058 7.932 -0.874 17490 1723 1 3 . 1 1 84 84 GLY N N 374 116.878 116.878 110.933 5.945 17490 1724 1 3 . 1 1 84 84 GLY C C 374 174.602 174.602 173.755 0.847 17490 1725 1 3 . 1 1 84 84 GLY CA C 374 45.842 45.842 45.309 0.533 17490 1726 1 3 . 1 1 84 84 GLY H H 374 9.053 9.053 8.275 0.778 17490 1727 1 3 . 1 1 85 85 SER N N 375 116.615 116.615 115.784 0.831 17490 1728 1 3 . 1 1 85 85 SER HA H 375 4.407 4.407 4.813 -0.406 17490 1729 1 3 . 1 1 85 85 SER C C 375 171.580 171.580 173.301 -1.721 17490 1730 1 3 . 1 1 85 85 SER CA C 375 59.280 59.280 56.921 2.359 17490 1731 1 3 . 1 1 85 85 SER CB C 375 64.303 64.303 65.317 -1.014 17490 1732 1 3 . 1 1 85 85 SER H H 375 7.666 7.666 8.234 -0.568 17490 1733 1 3 . 1 1 86 86 GLN N N 376 117.824 117.824 119.372 -1.548 17490 1734 1 3 . 1 1 86 86 GLN HA H 376 4.893 4.893 5.304 -0.411 17490 1735 1 3 . 1 1 86 86 GLN C C 376 175.033 175.033 174.888 0.145 17490 1736 1 3 . 1 1 86 86 GLN CA C 376 54.885 54.885 55.095 -0.210 17490 1737 1 3 . 1 1 86 86 GLN CB C 376 30.733 30.733 31.706 -0.973 17490 1738 1 3 . 1 1 86 86 GLN H H 376 8.381 8.381 8.483 -0.102 17490 1739 1 3 . 1 1 87 87 PHE N N 377 124.095 124.095 124.847 -0.752 17490 1740 1 3 . 1 1 87 87 PHE HA H 377 4.472 4.472 4.771 -0.299 17490 1741 1 3 . 1 1 87 87 PHE C C 377 174.760 174.760 174.504 0.256 17490 1742 1 3 . 1 1 87 87 PHE CA C 377 56.009 56.009 58.200 -2.191 17490 1743 1 3 . 1 1 87 87 PHE CB C 377 41.519 41.519 42.102 -0.583 17490 1744 1 3 . 1 1 87 87 PHE H H 377 8.974 8.974 9.073 -0.099 17490 1745 1 3 . 1 1 88 88 GLN N N 378 126.108 126.108 123.158 2.950 17490 1746 1 3 . 1 1 88 88 GLN HA H 378 3.505 3.505 3.700 -0.195 17490 1747 1 3 . 1 1 88 88 GLN C C 378 176.162 176.162 175.897 0.265 17490 1748 1 3 . 1 1 88 88 GLN CA C 378 56.570 56.570 56.850 -0.280 17490 1749 1 3 . 1 1 88 88 GLN CB C 378 26.070 26.070 26.797 -0.727 17490 1750 1 3 . 1 1 88 88 GLN H H 378 9.139 9.139 8.694 0.445 17490 1751 1 3 . 1 1 89 89 GLY N N 379 103.132 103.132 101.843 1.289 17490 1752 1 3 . 1 1 89 89 GLY C C 379 173.587 173.587 173.961 -0.374 17490 1753 1 3 . 1 1 89 89 GLY CA C 379 45.382 45.382 45.188 0.194 17490 1754 1 3 . 1 1 89 89 GLY H H 379 8.580 8.580 8.423 0.157 17490 1755 1 3 . 1 1 90 90 LYS N N 380 119.783 119.783 119.568 0.215 17490 1756 1 3 . 1 1 90 90 LYS HA H 380 4.697 4.697 4.745 -0.048 17490 1757 1 3 . 1 1 90 90 LYS C C 380 174.500 174.500 174.978 -0.478 17490 1758 1 3 . 1 1 90 90 LYS CA C 380 54.019 54.019 53.719 0.300 17490 1759 1 3 . 1 1 90 90 LYS CB C 380 35.919 35.919 35.516 0.403 17490 1760 1 3 . 1 1 90 90 LYS H H 380 7.457 7.457 7.701 -0.244 17490 1761 1 3 . 1 1 91 91 VAL N N 381 121.517 121.517 121.087 0.430 17490 1762 1 3 . 1 1 91 91 VAL HA H 381 4.294 4.294 4.748 -0.454 17490 1763 1 3 . 1 1 91 91 VAL C C 381 176.729 176.729 176.201 0.528 17490 1764 1 3 . 1 1 91 91 VAL CA C 381 63.176 63.176 61.662 1.514 17490 1765 1 3 . 1 1 91 91 VAL CB C 381 32.073 32.073 32.549 -0.476 17490 1766 1 3 . 1 1 91 91 VAL H H 381 8.256 8.256 8.429 -0.173 17490 1767 1 3 . 1 1 92 92 ILE N N 382 124.746 124.746 125.172 -0.426 17490 1768 1 3 . 1 1 92 92 ILE HA H 382 4.533 4.533 4.572 -0.039 17490 1769 1 3 . 1 1 92 92 ILE C C 382 173.501 173.501 174.383 -0.882 17490 1770 1 3 . 1 1 92 92 ILE CA C 382 59.249 59.249 59.743 -0.494 17490 1771 1 3 . 1 1 92 92 ILE CB C 382 41.995 41.995 39.078 2.917 17490 1772 1 3 . 1 1 92 92 ILE H H 382 8.788 8.788 8.266 0.522 17490 1773 1 3 . 1 1 93 93 ARG N N 383 119.723 119.723 125.104 -5.381 17490 1774 1 3 . 1 1 93 93 ARG HA H 383 4.608 4.608 4.960 -0.352 17490 1775 1 3 . 1 1 93 93 ARG C C 383 173.979 173.979 174.835 -0.856 17490 1776 1 3 . 1 1 93 93 ARG CA C 383 53.178 53.178 53.580 -0.402 17490 1777 1 3 . 1 1 93 93 ARG CB C 383 31.724 31.724 35.351 -3.627 17490 1778 1 3 . 1 1 93 93 ARG H H 383 8.500 8.500 8.520 -0.020 17490 1779 1 3 . 1 1 94 94 SER N N 384 110.386 110.386 113.272 -2.886 17490 1780 1 3 . 1 1 94 94 SER HA H 384 5.685 5.685 5.052 0.633 17490 1781 1 3 . 1 1 94 94 SER C C 384 174.791 174.791 172.251 2.540 17490 1782 1 3 . 1 1 94 94 SER CA C 384 54.419 54.419 56.898 -2.479 17490 1783 1 3 . 1 1 94 94 SER CB C 384 67.147 67.147 64.779 2.368 17490 1784 1 3 . 1 1 94 94 SER H H 384 7.700 7.700 8.818 -1.118 17490 1785 1 3 . 1 1 95 95 GLY N N 385 106.738 106.738 107.728 -0.990 17490 1786 1 3 . 1 1 95 95 GLY C C 385 171.619 171.619 172.465 -0.846 17490 1787 1 3 . 1 1 95 95 GLY CA C 385 45.904 45.904 44.919 0.985 17490 1788 1 3 . 1 1 95 95 GLY H H 385 8.360 8.360 8.549 -0.189 17490 1789 1 3 . 1 1 96 96 THR N N 386 111.493 111.493 112.898 -1.405 17490 1790 1 3 . 1 1 96 96 THR HA H 386 4.604 4.604 4.555 0.049 17490 1791 1 3 . 1 1 96 96 THR C C 386 175.600 175.600 175.531 0.069 17490 1792 1 3 . 1 1 96 96 THR CA C 386 60.901 60.901 60.070 0.831 17490 1793 1 3 . 1 1 96 96 THR CB C 386 71.709 71.709 71.684 0.025 17490 1794 1 3 . 1 1 96 96 THR H H 386 9.274 9.274 7.998 1.276 17490 1795 1 3 . 1 1 97 97 ILE N N 387 121.293 121.293 119.900 1.393 17490 1796 1 3 . 1 1 97 97 ILE HA H 387 3.881 3.881 3.849 0.032 17490 1797 1 3 . 1 1 97 97 ILE C C 387 178.109 178.109 177.533 0.576 17490 1798 1 3 . 1 1 97 97 ILE CA C 387 65.826 65.826 63.833 1.993 17490 1799 1 3 . 1 1 97 97 ILE CB C 387 37.717 37.717 36.984 0.733 17490 1800 1 3 . 1 1 97 97 ILE H H 387 9.339 9.339 8.289 1.050 17490 1801 1 3 . 1 1 98 98 ASN N N 388 117.358 117.358 119.048 -1.690 17490 1802 1 3 . 1 1 98 98 ASN HA H 388 4.224 4.224 4.398 -0.174 17490 1803 1 3 . 1 1 98 98 ASN C C 388 178.040 178.040 176.766 1.274 17490 1804 1 3 . 1 1 98 98 ASN CA C 388 56.205 56.205 56.493 -0.288 17490 1805 1 3 . 1 1 98 98 ASN CB C 388 37.719 37.719 38.622 -0.903 17490 1806 1 3 . 1 1 98 98 ASN H H 388 8.162 8.162 8.090 0.072 17490 1807 1 3 . 1 1 99 99 ASP N N 389 121.336 121.336 120.607 0.729 17490 1808 1 3 . 1 1 99 99 ASP HA H 389 4.236 4.236 4.220 0.016 17490 1809 1 3 . 1 1 99 99 ASP C C 389 177.813 177.813 177.760 0.053 17490 1810 1 3 . 1 1 99 99 ASP CA C 389 57.639 57.639 56.782 0.857 17490 1811 1 3 . 1 1 99 99 ASP CB C 389 40.497 40.497 40.708 -0.211 17490 1812 1 3 . 1 1 99 99 ASP H H 389 7.865 7.865 8.011 -0.146 17490 1813 1 3 . 1 1 100 100 MET N N 390 122.932 122.932 117.205 5.727 17490 1814 1 3 . 1 1 100 100 MET HA H 390 4.499 4.499 4.182 0.317 17490 1815 1 3 . 1 1 100 100 MET C C 390 178.081 178.081 177.933 0.148 17490 1816 1 3 . 1 1 100 100 MET CA C 390 58.402 58.402 58.923 -0.521 17490 1817 1 3 . 1 1 100 100 MET CB C 390 32.263 32.263 32.496 -0.233 17490 1818 1 3 . 1 1 100 100 MET H H 390 7.874 7.874 7.824 0.050 17490 1819 1 3 . 1 1 101 101 LYS N N 391 118.764 118.764 120.068 -1.304 17490 1820 1 3 . 1 1 101 101 LYS HA H 391 3.484 3.484 4.385 -0.901 17490 1821 1 3 . 1 1 101 101 LYS C C 391 178.102 178.102 179.432 -1.330 17490 1822 1 3 . 1 1 101 101 LYS CA C 391 60.070 60.070 59.311 0.759 17490 1823 1 3 . 1 1 101 101 LYS CB C 391 32.468 32.468 31.955 0.513 17490 1824 1 3 . 1 1 101 101 LYS H H 391 7.994 7.994 7.786 0.208 17490 1825 1 3 . 1 1 102 102 ARG N N 392 118.974 118.974 120.729 -1.755 17490 1826 1 3 . 1 1 102 102 ARG HA H 392 3.971 3.971 4.553 -0.582 17490 1827 1 3 . 1 1 102 102 ARG C C 392 178.433 178.433 179.269 -0.836 17490 1828 1 3 . 1 1 102 102 ARG CA C 392 59.485 59.485 58.861 0.624 17490 1829 1 3 . 1 1 102 102 ARG CB C 392 30.282 30.282 30.090 0.192 17490 1830 1 3 . 1 1 102 102 ARG H H 392 8.088 8.088 7.955 0.133 17490 1831 1 3 . 1 1 103 103 TYR N N 393 119.904 119.904 119.069 0.835 17490 1832 1 3 . 1 1 103 103 TYR HA H 393 4.017 4.017 4.094 -0.077 17490 1833 1 3 . 1 1 103 103 TYR C C 393 177.819 177.819 178.516 -0.697 17490 1834 1 3 . 1 1 103 103 TYR CA C 393 61.926 61.926 58.875 3.051 17490 1835 1 3 . 1 1 103 103 TYR CB C 393 39.373 39.373 36.908 2.465 17490 1836 1 3 . 1 1 103 103 TYR H H 393 8.058 8.058 8.218 -0.160 17490 1837 1 3 . 1 1 104 104 TYR N N 394 119.418 119.418 121.068 -1.650 17490 1838 1 3 . 1 1 104 104 TYR HA H 394 4.167 4.167 4.473 -0.306 17490 1839 1 3 . 1 1 104 104 TYR C C 394 177.920 177.920 177.504 0.416 17490 1840 1 3 . 1 1 104 104 TYR CA C 394 61.764 61.764 60.084 1.680 17490 1841 1 3 . 1 1 104 104 TYR CB C 394 39.162 39.162 38.803 0.359 17490 1842 1 3 . 1 1 104 104 TYR H H 394 7.846 7.846 8.133 -0.287 17490 1843 1 3 . 1 1 105 105 ASN N N 395 117.373 117.373 117.548 -0.175 17490 1844 1 3 . 1 1 105 105 ASN HA H 395 4.414 4.414 3.976 0.438 17490 1845 1 3 . 1 1 105 105 ASN C C 395 176.906 176.906 177.607 -0.701 17490 1846 1 3 . 1 1 105 105 ASN CA C 395 55.691 55.691 56.410 -0.719 17490 1847 1 3 . 1 1 105 105 ASN CB C 395 38.472 38.472 37.423 1.049 17490 1848 1 3 . 1 1 105 105 ASN H H 395 8.499 8.499 8.295 0.204 17490 1849 1 3 . 1 1 106 106 ASN N N 396 118.101 118.101 118.709 -0.608 17490 1850 1 3 . 1 1 106 106 ASN HA H 396 4.531 4.531 4.464 0.067 17490 1851 1 3 . 1 1 106 106 ASN C C 396 176.450 176.450 177.457 -1.007 17490 1852 1 3 . 1 1 106 106 ASN CA C 396 54.775 54.775 55.782 -1.007 17490 1853 1 3 . 1 1 106 106 ASN CB C 396 38.543 38.543 38.615 -0.072 17490 1854 1 3 . 1 1 106 106 ASN H H 396 8.081 8.081 8.164 -0.083 17490 1855 1 3 . 1 1 107 107 GLN N N 397 118.903 118.903 118.648 0.255 17490 1856 1 3 . 1 1 107 107 GLN HA H 397 3.977 3.977 4.164 -0.187 17490 1857 1 3 . 1 1 107 107 GLN C C 397 176.907 176.907 177.934 -1.027 17490 1858 1 3 . 1 1 107 107 GLN CA C 397 56.815 56.815 57.974 -1.159 17490 1859 1 3 . 1 1 107 107 GLN CB C 397 28.610 28.610 28.894 -0.284 17490 1860 1 3 . 1 1 107 107 GLN H H 397 7.772 7.772 7.904 -0.132 17490 1861 1 3 . 1 1 108 108 GLN N N 398 118.101 118.101 117.118 0.983 17490 1862 1 3 . 1 1 108 108 GLN HA H 398 3.920 3.920 4.090 -0.170 17490 1863 1 3 . 1 1 108 108 GLN C C 398 176.321 176.321 176.604 -0.283 17490 1864 1 3 . 1 1 108 108 GLN CA C 398 56.554 56.554 57.391 -0.837 17490 1865 1 3 . 1 1 108 108 GLN CB C 398 28.650 28.650 29.278 -0.628 17490 1866 1 3 . 1 1 108 108 GLN H H 398 7.854 7.854 8.137 -0.283 17490 1867 1 4 . 1 1 3 3 LEU N N 293 125.082 125.082 121.252 3.830 17490 1868 1 4 . 1 1 3 3 LEU HA H 293 4.292 4.292 4.833 -0.541 17490 1869 1 4 . 1 1 3 3 LEU C C 293 177.442 177.442 177.943 -0.501 17490 1870 1 4 . 1 1 3 3 LEU CA C 293 55.523 55.523 54.058 1.465 17490 1871 1 4 . 1 1 3 3 LEU CB C 293 42.516 42.516 45.194 -2.679 17490 1872 1 4 . 1 1 3 3 LEU H H 293 8.321 8.321 8.802 -0.481 17490 1873 1 4 . 1 1 4 4 GLU N N 294 122.906 122.906 121.528 1.378 17490 1874 1 4 . 1 1 4 4 GLU HA H 294 4.069 4.069 4.172 -0.103 17490 1875 1 4 . 1 1 4 4 GLU C C 294 177.158 177.158 179.064 -1.906 17490 1876 1 4 . 1 1 4 4 GLU CA C 294 58.307 58.307 59.677 -1.370 17490 1877 1 4 . 1 1 4 4 GLU CB C 294 29.676 29.676 29.931 -0.255 17490 1878 1 4 . 1 1 4 4 GLU H H 294 8.521 8.521 8.839 -0.318 17490 1879 1 4 . 1 1 5 5 ARG N N 295 120.270 120.270 117.021 3.249 17490 1880 1 4 . 1 1 5 5 ARG HA H 295 4.131 4.131 4.041 0.090 17490 1881 1 4 . 1 1 5 5 ARG C C 295 177.768 177.768 178.535 -0.767 17490 1882 1 4 . 1 1 5 5 ARG CA C 295 58.082 58.082 59.826 -1.744 17490 1883 1 4 . 1 1 5 5 ARG CB C 295 30.192 30.192 29.929 0.263 17490 1884 1 4 . 1 1 5 5 ARG H H 295 8.327 8.327 8.678 -0.351 17490 1885 1 4 . 1 1 6 6 ASN N N 296 118.639 118.639 117.715 0.924 17490 1886 1 4 . 1 1 6 6 ASN HA H 296 4.554 4.554 4.487 0.067 17490 1887 1 4 . 1 1 6 6 ASN C C 296 176.830 176.830 177.448 -0.618 17490 1888 1 4 . 1 1 6 6 ASN CA C 296 54.901 54.901 56.486 -1.585 17490 1889 1 4 . 1 1 6 6 ASN CB C 296 38.115 38.115 38.090 0.025 17490 1890 1 4 . 1 1 6 6 ASN H H 296 8.257 8.257 7.886 0.371 17490 1891 1 4 . 1 1 7 7 GLU N N 297 123.935 123.935 120.989 2.946 17490 1892 1 4 . 1 1 7 7 GLU HA H 297 4.266 4.266 4.043 0.223 17490 1893 1 4 . 1 1 7 7 GLU C C 297 178.102 178.102 178.893 -0.791 17490 1894 1 4 . 1 1 7 7 GLU CA C 297 58.897 58.897 58.974 -0.076 17490 1895 1 4 . 1 1 7 7 GLU CB C 297 29.814 29.814 29.701 0.113 17490 1896 1 4 . 1 1 7 7 GLU H H 297 8.185 8.185 7.735 0.450 17490 1897 1 4 . 1 1 8 8 VAL N N 298 118.916 118.916 119.434 -0.518 17490 1898 1 4 . 1 1 8 8 VAL HA H 298 3.399 3.399 3.488 -0.089 17490 1899 1 4 . 1 1 8 8 VAL C C 298 177.131 177.131 177.620 -0.489 17490 1900 1 4 . 1 1 8 8 VAL CA C 298 67.619 67.619 66.855 0.764 17490 1901 1 4 . 1 1 8 8 VAL CB C 298 32.041 32.041 31.454 0.587 17490 1902 1 4 . 1 1 8 8 VAL H H 298 8.095 8.095 8.842 -0.747 17490 1903 1 4 . 1 1 9 9 LYS N N 299 117.791 117.791 119.846 -2.055 17490 1904 1 4 . 1 1 9 9 LYS HA H 299 3.804 3.804 4.100 -0.296 17490 1905 1 4 . 1 1 9 9 LYS C C 299 179.259 179.259 178.558 0.701 17490 1906 1 4 . 1 1 9 9 LYS CA C 299 59.806 59.806 58.919 0.887 17490 1907 1 4 . 1 1 9 9 LYS CB C 299 32.290 32.290 31.966 0.324 17490 1908 1 4 . 1 1 9 9 LYS H H 299 7.771 7.771 7.688 0.083 17490 1909 1 4 . 1 1 10 10 ARG N N 300 119.032 119.032 119.738 -0.706 17490 1910 1 4 . 1 1 10 10 ARG HA H 300 3.934 3.934 4.101 -0.168 17490 1911 1 4 . 1 1 10 10 ARG C C 300 179.680 179.680 179.045 0.635 17490 1912 1 4 . 1 1 10 10 ARG CA C 300 59.444 59.444 59.056 0.388 17490 1913 1 4 . 1 1 10 10 ARG CB C 300 30.190 30.190 30.053 0.137 17490 1914 1 4 . 1 1 10 10 ARG H H 300 7.834 7.834 7.855 -0.021 17490 1915 1 4 . 1 1 11 11 LEU N N 301 120.881 120.881 118.546 2.335 17490 1916 1 4 . 1 1 11 11 LEU HA H 301 3.890 3.890 4.068 -0.178 17490 1917 1 4 . 1 1 11 11 LEU C C 301 178.937 178.937 177.495 1.442 17490 1918 1 4 . 1 1 11 11 LEU CA C 301 58.067 58.067 56.631 1.436 17490 1919 1 4 . 1 1 11 11 LEU CB C 301 42.051 42.051 42.199 -0.148 17490 1920 1 4 . 1 1 11 11 LEU H H 301 8.147 8.147 8.052 0.095 17490 1921 1 4 . 1 1 12 12 LEU N N 302 116.294 116.294 118.501 -2.207 17490 1922 1 4 . 1 1 12 12 LEU HA H 302 3.874 3.874 4.042 -0.168 17490 1923 1 4 . 1 1 12 12 LEU C C 302 177.360 177.360 177.964 -0.604 17490 1924 1 4 . 1 1 12 12 LEU CA C 302 57.498 57.498 56.817 0.681 17490 1925 1 4 . 1 1 12 12 LEU CB C 302 41.506 41.506 42.620 -1.114 17490 1926 1 4 . 1 1 12 12 LEU H H 302 8.331 8.331 7.631 0.700 17490 1927 1 4 . 1 1 13 13 ALA N N 303 117.998 117.998 118.466 -0.468 17490 1928 1 4 . 1 1 13 13 ALA HA H 303 4.480 4.480 4.332 0.148 17490 1929 1 4 . 1 1 13 13 ALA C C 303 177.554 177.554 177.414 0.140 17490 1930 1 4 . 1 1 13 13 ALA CA C 303 51.290 51.290 52.235 -0.945 17490 1931 1 4 . 1 1 13 13 ALA CB C 303 19.810 19.810 19.423 0.387 17490 1932 1 4 . 1 1 13 13 ALA H H 303 7.109 7.109 7.563 -0.454 17490 1933 1 4 . 1 1 14 14 SER N N 304 114.833 114.833 114.035 0.798 17490 1934 1 4 . 1 1 14 14 SER HA H 304 4.175 4.175 4.170 0.005 17490 1935 1 4 . 1 1 14 14 SER C C 304 175.762 175.762 174.998 0.764 17490 1936 1 4 . 1 1 14 14 SER CA C 304 59.344 59.344 58.990 0.354 17490 1937 1 4 . 1 1 14 14 SER CB C 304 63.704 63.704 63.712 -0.008 17490 1938 1 4 . 1 1 14 14 SER H H 304 7.265 7.265 7.461 -0.196 17490 1939 1 4 . 1 1 15 15 ARG N N 305 125.370 125.370 124.910 0.460 17490 1940 1 4 . 1 1 15 15 ARG HA H 305 4.555 4.555 4.362 0.193 17490 1941 1 4 . 1 1 15 15 ARG C C 305 175.442 175.442 175.750 -0.308 17490 1942 1 4 . 1 1 15 15 ARG CA C 305 54.847 54.847 55.092 -0.244 17490 1943 1 4 . 1 1 15 15 ARG CB C 305 30.415 30.415 29.844 0.571 17490 1944 1 4 . 1 1 15 15 ARG H H 305 8.872 8.872 8.611 0.261 17490 1945 1 4 . 1 1 16 16 ASN N N 306 120.536 120.536 118.868 1.668 17490 1946 1 4 . 1 1 16 16 ASN HA H 306 4.774 4.774 4.839 -0.065 17490 1947 1 4 . 1 1 16 16 ASN C C 306 175.146 175.146 176.006 -0.860 17490 1948 1 4 . 1 1 16 16 ASN CA C 306 52.434 52.434 52.444 -0.010 17490 1949 1 4 . 1 1 16 16 ASN CB C 306 38.294 38.294 38.895 -0.601 17490 1950 1 4 . 1 1 16 16 ASN H H 306 8.367 8.367 7.607 0.760 17490 1951 1 4 . 1 1 17 17 SER N N 307 121.694 121.694 122.585 -0.891 17490 1952 1 4 . 1 1 17 17 SER HA H 307 4.090 4.090 4.319 -0.229 17490 1953 1 4 . 1 1 17 17 SER C C 307 175.970 175.970 174.770 1.200 17490 1954 1 4 . 1 1 17 17 SER CA C 307 61.484 61.484 59.883 1.601 17490 1955 1 4 . 1 1 17 17 SER CB C 307 62.850 62.850 63.134 -0.284 17490 1956 1 4 . 1 1 17 17 SER H H 307 8.656 8.656 8.904 -0.248 17490 1957 1 4 . 1 1 18 18 LYS N N 308 120.961 120.961 122.020 -1.059 17490 1958 1 4 . 1 1 18 18 LYS HA H 308 4.115 4.115 4.412 -0.297 17490 1959 1 4 . 1 1 18 18 LYS C C 308 178.999 178.999 178.101 0.898 17490 1960 1 4 . 1 1 18 18 LYS CA C 308 58.606 58.606 58.787 -0.181 17490 1961 1 4 . 1 1 18 18 LYS CB C 308 31.614 31.614 32.336 -0.722 17490 1962 1 4 . 1 1 18 18 LYS H H 308 8.060 8.060 7.677 0.383 17490 1963 1 4 . 1 1 19 19 GLU N N 309 118.377 118.377 119.817 -1.440 17490 1964 1 4 . 1 1 19 19 GLU HA H 309 4.198 4.198 4.174 0.024 17490 1965 1 4 . 1 1 19 19 GLU C C 309 178.136 178.136 177.942 0.194 17490 1966 1 4 . 1 1 19 19 GLU CA C 309 57.939 57.939 58.786 -0.847 17490 1967 1 4 . 1 1 19 19 GLU CB C 309 30.115 30.115 29.830 0.285 17490 1968 1 4 . 1 1 19 19 GLU H H 309 7.520 7.520 7.520 -0.000 17490 1969 1 4 . 1 1 20 20 LEU N N 310 118.101 118.101 116.814 1.287 17490 1970 1 4 . 1 1 20 20 LEU HA H 310 4.168 4.168 4.224 -0.056 17490 1971 1 4 . 1 1 20 20 LEU C C 310 179.112 179.112 177.960 1.152 17490 1972 1 4 . 1 1 20 20 LEU CA C 310 56.583 56.583 56.187 0.396 17490 1973 1 4 . 1 1 20 20 LEU CB C 310 41.611 41.611 41.422 0.189 17490 1974 1 4 . 1 1 20 20 LEU H H 310 7.741 7.741 7.375 0.366 17490 1975 1 4 . 1 1 21 21 GLU N N 311 116.130 116.130 117.722 -1.592 17490 1976 1 4 . 1 1 21 21 GLU HA H 311 4.342 4.342 4.263 0.079 17490 1977 1 4 . 1 1 21 21 GLU C C 311 176.928 176.928 178.539 -1.611 17490 1978 1 4 . 1 1 21 21 GLU CA C 311 58.216 58.216 57.836 0.380 17490 1979 1 4 . 1 1 21 21 GLU CB C 311 29.608 29.608 30.123 -0.515 17490 1980 1 4 . 1 1 21 21 GLU H H 311 7.747 7.747 7.502 0.245 17490 1981 1 4 . 1 1 22 22 THR N N 312 106.131 106.131 112.980 -6.849 17490 1982 1 4 . 1 1 22 22 THR HA H 312 4.182 4.182 4.423 -0.240 17490 1983 1 4 . 1 1 22 22 THR C C 312 172.032 172.032 173.312 -1.280 17490 1984 1 4 . 1 1 22 22 THR CA C 312 61.539 61.539 63.622 -2.083 17490 1985 1 4 . 1 1 22 22 THR CB C 312 69.426 69.426 68.448 0.978 17490 1986 1 4 . 1 1 22 22 THR H H 312 7.446 7.446 7.995 -0.549 17490 1987 1 4 . 1 1 23 23 LEU N N 313 120.178 120.178 117.316 2.862 17490 1988 1 4 . 1 1 23 23 LEU HA H 313 5.869 5.869 5.609 0.260 17490 1989 1 4 . 1 1 23 23 LEU C C 313 175.604 175.604 174.167 1.437 17490 1990 1 4 . 1 1 23 23 LEU CA C 313 52.838 52.838 53.878 -1.040 17490 1991 1 4 . 1 1 23 23 LEU CB C 313 46.851 46.851 46.089 0.762 17490 1992 1 4 . 1 1 23 23 LEU H H 313 7.538 7.538 7.270 0.268 17490 1993 1 4 . 1 1 24 24 ILE N N 314 113.990 113.990 113.727 0.263 17490 1994 1 4 . 1 1 24 24 ILE HA H 314 4.717 4.717 4.685 0.032 17490 1995 1 4 . 1 1 24 24 ILE C C 314 173.530 173.530 173.219 0.311 17490 1996 1 4 . 1 1 24 24 ILE CA C 314 59.368 59.368 59.570 -0.202 17490 1997 1 4 . 1 1 24 24 ILE CB C 314 42.319 42.319 41.894 0.425 17490 1998 1 4 . 1 1 24 24 ILE H H 314 8.904 8.904 8.725 0.179 17490 1999 1 4 . 1 1 25 25 CYS N N 315 117.755 117.755 118.899 -1.144 17490 2000 1 4 . 1 1 25 25 CYS HA H 315 5.914 5.914 5.435 0.479 17490 2001 1 4 . 1 1 25 25 CYS C C 315 174.153 174.153 174.392 -0.239 17490 2002 1 4 . 1 1 25 25 CYS CA C 315 57.187 57.187 56.963 0.224 17490 2003 1 4 . 1 1 25 25 CYS CB C 315 31.754 31.754 28.730 3.024 17490 2004 1 4 . 1 1 25 25 CYS H H 315 9.021 9.021 9.056 -0.035 17490 2005 1 4 . 1 1 26 26 LEU N N 316 119.952 119.952 125.812 -5.860 17490 2006 1 4 . 1 1 26 26 LEU HA H 316 5.363 5.363 4.605 0.758 17490 2007 1 4 . 1 1 26 26 LEU C C 316 176.015 176.015 175.605 0.410 17490 2008 1 4 . 1 1 26 26 LEU CA C 316 53.072 53.072 55.236 -2.164 17490 2009 1 4 . 1 1 26 26 LEU CB C 316 45.891 45.891 43.112 2.779 17490 2010 1 4 . 1 1 26 26 LEU H H 316 8.778 8.778 8.970 -0.192 17490 2011 1 4 . 1 1 27 27 PHE N N 317 116.116 116.116 123.193 -7.077 17490 2012 1 4 . 1 1 27 27 PHE HA H 317 4.158 4.158 5.327 -1.169 17490 2013 1 4 . 1 1 27 27 PHE CA C 317 55.594 55.594 54.747 0.847 17490 2014 1 4 . 1 1 27 27 PHE CB C 317 37.765 37.765 39.669 -1.904 17490 2015 1 4 . 1 1 27 27 PHE H H 317 7.827 7.827 9.313 -1.486 17490 2016 1 4 . 1 1 28 28 PRO HA H 318 5.322 5.322 4.686 0.636 17490 2017 1 4 . 1 1 28 28 PRO C C 318 175.163 175.163 175.233 -0.070 17490 2018 1 4 . 1 1 28 28 PRO CA C 318 61.657 61.657 62.466 -0.809 17490 2019 1 4 . 1 1 28 28 PRO CB C 318 34.356 34.356 32.212 2.144 17490 2020 1 4 . 1 1 29 29 LEU N N 319 120.206 120.206 119.438 0.768 17490 2021 1 4 . 1 1 29 29 LEU HA H 319 4.674 4.674 4.609 0.065 17490 2022 1 4 . 1 1 29 29 LEU C C 319 176.806 176.806 176.557 0.249 17490 2023 1 4 . 1 1 29 29 LEU CA C 319 52.817 52.817 53.767 -0.950 17490 2024 1 4 . 1 1 29 29 LEU CB C 319 45.029 45.029 40.587 4.442 17490 2025 1 4 . 1 1 29 29 LEU H H 319 8.365 8.365 7.622 0.743 17490 2026 1 4 . 1 1 30 30 SER N N 320 117.220 117.220 118.468 -1.248 17490 2027 1 4 . 1 1 30 30 SER HA H 320 4.475 4.475 4.318 0.157 17490 2028 1 4 . 1 1 30 30 SER C C 320 174.677 174.677 175.290 -0.613 17490 2029 1 4 . 1 1 30 30 SER CA C 320 57.768 57.768 58.096 -0.328 17490 2030 1 4 . 1 1 30 30 SER CB C 320 64.118 64.118 63.995 0.122 17490 2031 1 4 . 1 1 30 30 SER H H 320 8.652 8.652 8.059 0.593 17490 2032 1 4 . 1 1 31 31 ASP N N 321 121.514 121.514 119.254 2.260 17490 2033 1 4 . 1 1 31 31 ASP HA H 321 4.471 4.471 4.551 -0.080 17490 2034 1 4 . 1 1 31 31 ASP C C 321 176.811 176.811 176.184 0.627 17490 2035 1 4 . 1 1 31 31 ASP CA C 321 55.388 55.388 55.499 -0.111 17490 2036 1 4 . 1 1 31 31 ASP CB C 321 40.060 40.060 40.858 -0.798 17490 2037 1 4 . 1 1 31 31 ASP H H 321 8.587 8.587 8.775 -0.188 17490 2038 1 4 . 1 1 32 32 LYS N N 322 117.990 117.990 118.642 -0.652 17490 2039 1 4 . 1 1 32 32 LYS HA H 322 4.331 4.331 4.508 -0.177 17490 2040 1 4 . 1 1 32 32 LYS C C 322 176.804 176.804 175.603 1.201 17490 2041 1 4 . 1 1 32 32 LYS CA C 322 55.545 55.545 55.939 -0.394 17490 2042 1 4 . 1 1 32 32 LYS CB C 322 31.942 31.942 32.215 -0.274 17490 2043 1 4 . 1 1 32 32 LYS H H 322 8.053 8.053 8.101 -0.048 17490 2044 1 4 . 1 1 33 33 VAL N N 323 119.570 119.570 117.757 1.813 17490 2045 1 4 . 1 1 33 33 VAL HA H 323 3.922 3.922 4.276 -0.354 17490 2046 1 4 . 1 1 33 33 VAL C C 323 173.362 173.362 174.776 -1.414 17490 2047 1 4 . 1 1 33 33 VAL CA C 323 63.294 63.294 60.466 2.828 17490 2048 1 4 . 1 1 33 33 VAL CB C 323 32.410 32.410 33.526 -1.116 17490 2049 1 4 . 1 1 33 33 VAL H H 323 7.333 7.333 7.341 -0.008 17490 2050 1 4 . 1 1 34 34 SER N N 324 118.908 118.908 115.937 2.971 17490 2051 1 4 . 1 1 34 34 SER HA H 324 5.104 5.104 4.889 0.215 17490 2052 1 4 . 1 1 34 34 SER CA C 324 55.114 55.114 56.166 -1.052 17490 2053 1 4 . 1 1 34 34 SER CB C 324 64.522 64.522 64.340 0.182 17490 2054 1 4 . 1 1 34 34 SER H H 324 7.099 7.099 8.133 -1.034 17490 2055 1 4 . 1 1 35 35 PRO HA H 325 4.038 4.038 4.252 -0.214 17490 2056 1 4 . 1 1 35 35 PRO C C 325 178.107 178.107 178.488 -0.381 17490 2057 1 4 . 1 1 35 35 PRO CA C 325 66.275 66.275 65.022 1.253 17490 2058 1 4 . 1 1 35 35 PRO CB C 325 31.873 31.873 31.905 -0.032 17490 2059 1 4 . 1 1 36 36 SER N N 326 111.480 111.480 115.203 -3.723 17490 2060 1 4 . 1 1 36 36 SER HA H 326 4.179 4.179 4.218 -0.039 17490 2061 1 4 . 1 1 36 36 SER C C 326 176.897 176.897 176.405 0.492 17490 2062 1 4 . 1 1 36 36 SER CA C 326 61.731 61.731 60.801 0.930 17490 2063 1 4 . 1 1 36 36 SER CB C 326 62.211 62.211 62.433 -0.222 17490 2064 1 4 . 1 1 36 36 SER H H 326 8.172 8.172 8.291 -0.119 17490 2065 1 4 . 1 1 37 37 LEU N N 327 123.898 123.898 121.504 2.394 17490 2066 1 4 . 1 1 37 37 LEU HA H 327 4.311 4.311 4.239 0.072 17490 2067 1 4 . 1 1 37 37 LEU C C 327 180.292 180.292 179.279 1.013 17490 2068 1 4 . 1 1 37 37 LEU CA C 327 57.921 57.921 57.895 0.026 17490 2069 1 4 . 1 1 37 37 LEU CB C 327 42.694 42.694 40.853 1.841 17490 2070 1 4 . 1 1 37 37 LEU H H 327 7.751 7.751 8.388 -0.637 17490 2071 1 4 . 1 1 38 38 ILE N N 328 119.411 119.411 119.235 0.176 17490 2072 1 4 . 1 1 38 38 ILE HA H 328 3.627 3.627 3.836 -0.209 17490 2073 1 4 . 1 1 38 38 ILE C C 328 176.884 176.884 177.962 -1.078 17490 2074 1 4 . 1 1 38 38 ILE CA C 328 65.153 65.153 64.797 0.356 17490 2075 1 4 . 1 1 38 38 ILE CB C 328 37.446 37.446 38.033 -0.587 17490 2076 1 4 . 1 1 38 38 ILE H H 328 7.636 7.636 7.642 -0.006 17490 2077 1 4 . 1 1 39 39 CYS N N 329 120.430 120.430 118.753 1.677 17490 2078 1 4 . 1 1 39 39 CYS HA H 329 3.743 3.743 4.002 -0.259 17490 2079 1 4 . 1 1 39 39 CYS C C 329 176.205 176.205 177.131 -0.926 17490 2080 1 4 . 1 1 39 39 CYS CA C 329 63.564 63.564 63.450 0.114 17490 2081 1 4 . 1 1 39 39 CYS CB C 329 26.285 26.285 26.508 -0.223 17490 2082 1 4 . 1 1 39 39 CYS H H 329 8.640 8.640 7.773 0.867 17490 2083 1 4 . 1 1 40 40 GLN N N 330 118.263 118.263 119.897 -1.634 17490 2084 1 4 . 1 1 40 40 GLN HA H 330 4.099 4.099 3.980 0.119 17490 2085 1 4 . 1 1 40 40 GLN C C 330 177.445 177.445 178.484 -1.039 17490 2086 1 4 . 1 1 40 40 GLN CA C 330 59.496 59.496 59.377 0.119 17490 2087 1 4 . 1 1 40 40 GLN CB C 330 28.469 28.469 28.204 0.265 17490 2088 1 4 . 1 1 40 40 GLN H H 330 8.213 8.213 8.072 0.141 17490 2089 1 4 . 1 1 41 41 PHE N N 331 121.411 121.411 120.129 1.282 17490 2090 1 4 . 1 1 41 41 PHE HA H 331 4.661 4.661 4.218 0.443 17490 2091 1 4 . 1 1 41 41 PHE C C 331 177.475 177.475 177.036 0.439 17490 2092 1 4 . 1 1 41 41 PHE CA C 331 60.181 60.181 60.766 -0.585 17490 2093 1 4 . 1 1 41 41 PHE CB C 331 39.561 39.561 38.931 0.630 17490 2094 1 4 . 1 1 41 41 PHE H H 331 7.806 7.806 8.091 -0.285 17490 2095 1 4 . 1 1 42 42 LEU N N 332 119.016 119.016 119.715 -0.699 17490 2096 1 4 . 1 1 42 42 LEU HA H 332 3.508 3.508 3.542 -0.034 17490 2097 1 4 . 1 1 42 42 LEU C C 332 178.495 178.495 178.909 -0.414 17490 2098 1 4 . 1 1 42 42 LEU CA C 332 57.545 57.545 57.613 -0.068 17490 2099 1 4 . 1 1 42 42 LEU CB C 332 40.880 40.880 41.505 -0.625 17490 2100 1 4 . 1 1 42 42 LEU H H 332 8.436 8.436 7.823 0.613 17490 2101 1 4 . 1 1 43 43 GLN N N 333 116.210 116.210 117.265 -1.055 17490 2102 1 4 . 1 1 43 43 GLN HA H 333 4.590 4.590 4.042 0.548 17490 2103 1 4 . 1 1 43 43 GLN C C 333 178.499 178.499 178.653 -0.154 17490 2104 1 4 . 1 1 43 43 GLN CA C 333 58.875 58.875 58.815 0.060 17490 2105 1 4 . 1 1 43 43 GLN CB C 333 30.846 30.846 28.318 2.528 17490 2106 1 4 . 1 1 43 43 GLN H H 333 8.236 8.236 8.300 -0.064 17490 2107 1 4 . 1 1 44 44 GLU N N 334 117.050 117.050 120.037 -2.987 17490 2108 1 4 . 1 1 44 44 GLU HA H 334 4.116 4.116 4.142 -0.026 17490 2109 1 4 . 1 1 44 44 GLU C C 334 177.407 177.407 178.060 -0.653 17490 2110 1 4 . 1 1 44 44 GLU CA C 334 58.756 58.756 59.034 -0.278 17490 2111 1 4 . 1 1 44 44 GLU CB C 334 30.518 30.518 29.480 1.038 17490 2112 1 4 . 1 1 44 44 GLU H H 334 8.926 8.926 8.263 0.663 17490 2113 1 4 . 1 1 45 45 GLU N N 335 114.950 114.950 116.723 -1.773 17490 2114 1 4 . 1 1 45 45 GLU HA H 335 4.354 4.354 4.312 0.042 17490 2115 1 4 . 1 1 45 45 GLU C C 335 176.873 176.873 178.313 -1.440 17490 2116 1 4 . 1 1 45 45 GLU CA C 335 57.018 57.018 57.263 -0.245 17490 2117 1 4 . 1 1 45 45 GLU CB C 335 29.537 29.537 31.449 -1.912 17490 2118 1 4 . 1 1 45 45 GLU H H 335 8.054 8.054 7.827 0.227 17490 2119 1 4 . 1 1 46 46 ILE N N 336 115.649 115.649 116.878 -1.229 17490 2120 1 4 . 1 1 46 46 ILE HA H 336 3.895 3.895 4.159 -0.264 17490 2121 1 4 . 1 1 46 46 ILE C C 336 175.873 175.873 175.830 0.043 17490 2122 1 4 . 1 1 46 46 ILE CA C 336 58.097 58.097 60.622 -2.525 17490 2123 1 4 . 1 1 46 46 ILE CB C 336 35.077 35.077 37.715 -2.638 17490 2124 1 4 . 1 1 46 46 ILE H H 336 6.749 6.749 7.740 -0.991 17490 2125 1 4 . 1 1 47 47 HIS N N 337 111.685 111.685 115.914 -4.229 17490 2126 1 4 . 1 1 47 47 HIS HA H 337 4.520 4.520 4.309 0.211 17490 2127 1 4 . 1 1 47 47 HIS C C 337 174.787 174.787 174.116 0.671 17490 2128 1 4 . 1 1 47 47 HIS CA C 337 56.387 56.387 56.776 -0.389 17490 2129 1 4 . 1 1 47 47 HIS CB C 337 24.947 24.947 27.408 -2.461 17490 2130 1 4 . 1 1 47 47 HIS H H 337 6.652 6.652 7.590 -0.938 17490 2131 1 4 . 1 1 48 48 ILE N N 338 118.069 118.069 119.381 -1.312 17490 2132 1 4 . 1 1 48 48 ILE HA H 338 4.433 4.433 3.911 0.522 17490 2133 1 4 . 1 1 48 48 ILE C C 338 175.031 175.031 174.790 0.241 17490 2134 1 4 . 1 1 48 48 ILE CA C 338 60.737 60.737 63.155 -2.418 17490 2135 1 4 . 1 1 48 48 ILE CB C 338 38.861 38.861 38.303 0.558 17490 2136 1 4 . 1 1 48 48 ILE H H 338 7.963 7.963 7.281 0.682 17490 2137 1 4 . 1 1 49 49 ASN N N 339 123.991 123.991 122.457 1.534 17490 2138 1 4 . 1 1 49 49 ASN HA H 339 4.691 4.691 4.784 -0.093 17490 2139 1 4 . 1 1 49 49 ASN C C 339 176.381 176.381 174.938 1.443 17490 2140 1 4 . 1 1 49 49 ASN CA C 339 53.296 53.296 51.704 1.592 17490 2141 1 4 . 1 1 49 49 ASN CB C 339 40.570 40.570 39.755 0.815 17490 2142 1 4 . 1 1 49 49 ASN H H 339 9.222 9.222 7.860 1.362 17490 2143 1 4 . 1 1 50 50 GLU N N 340 125.549 125.549 115.878 9.671 17490 2144 1 4 . 1 1 50 50 GLU HA H 340 3.792 3.792 4.079 -0.287 17490 2145 1 4 . 1 1 50 50 GLU C C 340 177.988 177.988 176.675 1.313 17490 2146 1 4 . 1 1 50 50 GLU CA C 340 59.807 59.807 58.662 1.145 17490 2147 1 4 . 1 1 50 50 GLU CB C 340 29.143 29.143 29.310 -0.167 17490 2148 1 4 . 1 1 50 50 GLU H H 340 8.971 8.971 8.823 0.148 17490 2149 1 4 . 1 1 51 51 LYS N N 341 116.019 116.019 117.837 -1.818 17490 2150 1 4 . 1 1 51 51 LYS HA H 341 4.117 4.117 4.379 -0.262 17490 2151 1 4 . 1 1 51 51 LYS C C 341 177.283 177.283 178.329 -1.046 17490 2152 1 4 . 1 1 51 51 LYS CA C 341 57.718 57.718 57.972 -0.254 17490 2153 1 4 . 1 1 51 51 LYS CB C 341 31.650 31.650 33.255 -1.605 17490 2154 1 4 . 1 1 51 51 LYS H H 341 8.424 8.424 7.534 0.890 17490 2155 1 4 . 1 1 52 52 ASP N N 342 117.576 117.576 119.882 -2.306 17490 2156 1 4 . 1 1 52 52 ASP HA H 342 4.444 4.444 4.646 -0.202 17490 2157 1 4 . 1 1 52 52 ASP C C 342 175.454 175.454 175.576 -0.122 17490 2158 1 4 . 1 1 52 52 ASP CA C 342 56.002 56.002 56.531 -0.529 17490 2159 1 4 . 1 1 52 52 ASP CB C 342 41.937 41.937 42.154 -0.217 17490 2160 1 4 . 1 1 52 52 ASP H H 342 7.908 7.908 9.197 -1.289 17490 2161 1 4 . 1 1 53 53 ILE N N 343 120.515 120.515 118.742 1.773 17490 2162 1 4 . 1 1 53 53 ILE HA H 343 3.875 3.875 4.411 -0.536 17490 2163 1 4 . 1 1 53 53 ILE C C 343 174.966 174.966 174.891 0.075 17490 2164 1 4 . 1 1 53 53 ILE CA C 343 61.101 61.101 59.027 2.074 17490 2165 1 4 . 1 1 53 53 ILE CB C 343 39.931 39.931 39.528 0.403 17490 2166 1 4 . 1 1 53 53 ILE H H 343 7.480 7.480 7.328 0.152 17490 2167 1 4 . 1 1 54 54 ARG N N 344 125.353 125.353 126.275 -0.922 17490 2168 1 4 . 1 1 54 54 ARG HA H 344 4.291 4.291 4.247 0.044 17490 2169 1 4 . 1 1 54 54 ARG C C 344 176.642 176.642 176.527 0.115 17490 2170 1 4 . 1 1 54 54 ARG CA C 344 57.550 57.550 58.138 -0.588 17490 2171 1 4 . 1 1 54 54 ARG CB C 344 30.848 30.848 31.536 -0.688 17490 2172 1 4 . 1 1 54 54 ARG H H 344 9.063 9.063 8.987 0.076 17490 2173 1 4 . 1 1 55 55 LYS N N 345 116.212 116.212 116.962 -0.750 17490 2174 1 4 . 1 1 55 55 LYS HA H 345 4.417 4.417 4.462 -0.045 17490 2175 1 4 . 1 1 55 55 LYS C C 345 173.004 173.004 173.958 -0.954 17490 2176 1 4 . 1 1 55 55 LYS CA C 345 55.873 55.873 56.083 -0.210 17490 2177 1 4 . 1 1 55 55 LYS CB C 345 36.582 36.582 36.600 -0.018 17490 2178 1 4 . 1 1 55 55 LYS H H 345 7.569 7.569 7.642 -0.073 17490 2179 1 4 . 1 1 56 56 ILE N N 346 122.685 122.685 124.223 -1.538 17490 2180 1 4 . 1 1 56 56 ILE HA H 346 4.731 4.731 5.303 -0.572 17490 2181 1 4 . 1 1 56 56 ILE C C 346 174.163 174.163 173.781 0.382 17490 2182 1 4 . 1 1 56 56 ILE CA C 346 60.843 60.843 58.996 1.847 17490 2183 1 4 . 1 1 56 56 ILE CB C 346 40.816 40.816 40.007 0.809 17490 2184 1 4 . 1 1 56 56 ILE H H 346 8.229 8.229 8.385 -0.156 17490 2185 1 4 . 1 1 57 57 LEU N N 347 126.095 126.095 128.723 -2.628 17490 2186 1 4 . 1 1 57 57 LEU HA H 347 4.775 4.775 4.929 -0.154 17490 2187 1 4 . 1 1 57 57 LEU C C 347 175.764 175.764 174.937 0.827 17490 2188 1 4 . 1 1 57 57 LEU CA C 347 52.746 52.746 53.411 -0.665 17490 2189 1 4 . 1 1 57 57 LEU CB C 347 45.364 45.364 45.716 -0.352 17490 2190 1 4 . 1 1 57 57 LEU H H 347 9.279 9.279 8.693 0.586 17490 2191 1 4 . 1 1 58 58 LEU N N 348 122.946 122.946 121.369 1.577 17490 2192 1 4 . 1 1 58 58 LEU HA H 348 4.338 4.338 4.549 -0.211 17490 2193 1 4 . 1 1 58 58 LEU C C 348 176.476 176.476 176.688 -0.212 17490 2194 1 4 . 1 1 58 58 LEU CA C 348 55.221 55.221 53.938 1.283 17490 2195 1 4 . 1 1 58 58 LEU CB C 348 41.496 41.496 42.666 -1.170 17490 2196 1 4 . 1 1 58 58 LEU H H 348 8.925 8.925 8.987 -0.062 17490 2197 1 4 . 1 1 59 59 VAL N N 349 123.378 123.378 123.183 0.195 17490 2198 1 4 . 1 1 59 59 VAL HA H 349 4.385 4.385 4.482 -0.097 17490 2199 1 4 . 1 1 59 59 VAL C C 349 176.335 176.335 175.801 0.534 17490 2200 1 4 . 1 1 59 59 VAL CA C 349 59.595 59.595 61.784 -2.189 17490 2201 1 4 . 1 1 59 59 VAL CB C 349 31.100 31.100 31.545 -0.445 17490 2202 1 4 . 1 1 59 59 VAL H H 349 8.637 8.637 8.785 -0.148 17490 2203 1 4 . 1 1 60 60 SER N N 350 124.152 124.152 120.878 3.274 17490 2204 1 4 . 1 1 60 60 SER HA H 350 3.907 3.907 4.496 -0.589 17490 2205 1 4 . 1 1 60 60 SER C C 350 177.518 177.518 174.023 3.495 17490 2206 1 4 . 1 1 60 60 SER CA C 350 62.261 62.261 59.043 3.218 17490 2207 1 4 . 1 1 60 60 SER CB C 350 62.301 62.301 63.280 -0.979 17490 2208 1 4 . 1 1 60 60 SER H H 350 8.755 8.755 8.658 0.097 17490 2209 1 4 . 1 1 61 61 ASP N N 351 119.224 119.224 120.424 -1.200 17490 2210 1 4 . 1 1 61 61 ASP HA H 351 3.964 3.964 4.370 -0.406 17490 2211 1 4 . 1 1 61 61 ASP C C 351 174.721 174.721 173.649 1.072 17490 2212 1 4 . 1 1 61 61 ASP CA C 351 56.162 56.162 53.513 2.649 17490 2213 1 4 . 1 1 61 61 ASP CB C 351 40.102 40.102 40.580 -0.478 17490 2214 1 4 . 1 1 61 61 ASP H H 351 9.011 9.011 8.175 0.836 17490 2215 1 4 . 1 1 62 62 PHE N N 352 110.179 110.179 115.360 -5.181 17490 2216 1 4 . 1 1 62 62 PHE HA H 352 3.983 3.983 4.614 -0.631 17490 2217 1 4 . 1 1 62 62 PHE C C 352 173.268 173.268 173.338 -0.070 17490 2218 1 4 . 1 1 62 62 PHE CA C 352 56.221 56.221 55.328 0.893 17490 2219 1 4 . 1 1 62 62 PHE CB C 352 39.789 39.789 38.019 1.770 17490 2220 1 4 . 1 1 62 62 PHE H H 352 6.702 6.702 7.119 -0.417 17490 2221 1 4 . 1 1 63 63 ASN N N 353 114.980 114.980 119.337 -4.357 17490 2222 1 4 . 1 1 63 63 ASN HA H 353 4.665 4.665 4.383 0.282 17490 2223 1 4 . 1 1 63 63 ASN C C 353 174.360 174.360 174.733 -0.373 17490 2224 1 4 . 1 1 63 63 ASN CA C 353 54.158 54.158 54.052 0.106 17490 2225 1 4 . 1 1 63 63 ASN CB C 353 37.889 37.889 37.097 0.792 17490 2226 1 4 . 1 1 63 63 ASN H H 353 7.708 7.708 8.349 -0.641 17490 2227 1 4 . 1 1 64 64 GLY N N 354 102.117 102.117 105.838 -3.721 17490 2228 1 4 . 1 1 64 64 GLY C C 354 173.093 173.093 171.479 1.614 17490 2229 1 4 . 1 1 64 64 GLY CA C 354 45.413 45.413 44.513 0.900 17490 2230 1 4 . 1 1 64 64 GLY H H 354 7.722 7.722 8.264 -0.542 17490 2231 1 4 . 1 1 65 65 ALA N N 355 120.262 120.262 121.310 -1.048 17490 2232 1 4 . 1 1 65 65 ALA HA H 355 5.055 5.055 5.018 0.037 17490 2233 1 4 . 1 1 65 65 ALA C C 355 174.731 174.731 175.179 -0.448 17490 2234 1 4 . 1 1 65 65 ALA CA C 355 51.429 51.429 50.775 0.654 17490 2235 1 4 . 1 1 65 65 ALA CB C 355 22.924 22.924 21.985 0.939 17490 2236 1 4 . 1 1 65 65 ALA H H 355 8.785 8.785 8.442 0.343 17490 2237 1 4 . 1 1 66 66 ILE N N 356 121.244 121.244 126.161 -4.917 17490 2238 1 4 . 1 1 66 66 ILE HA H 356 4.711 4.711 5.055 -0.344 17490 2239 1 4 . 1 1 66 66 ILE C C 356 174.154 174.154 173.891 0.263 17490 2240 1 4 . 1 1 66 66 ILE CA C 356 60.570 60.570 60.317 0.253 17490 2241 1 4 . 1 1 66 66 ILE CB C 356 41.943 41.943 39.588 2.355 17490 2242 1 4 . 1 1 66 66 ILE H H 356 9.390 9.390 8.252 1.138 17490 2243 1 4 . 1 1 67 67 ILE N N 357 127.255 127.255 129.707 -2.452 17490 2244 1 4 . 1 1 67 67 ILE HA H 357 4.433 4.433 4.560 -0.127 17490 2245 1 4 . 1 1 67 67 ILE C C 357 174.004 174.004 174.428 -0.424 17490 2246 1 4 . 1 1 67 67 ILE CA C 357 59.826 59.826 60.240 -0.414 17490 2247 1 4 . 1 1 67 67 ILE CB C 357 38.965 38.965 41.914 -2.949 17490 2248 1 4 . 1 1 67 67 ILE H H 357 9.291 9.291 8.910 0.381 17490 2249 1 4 . 1 1 68 68 ILE N N 358 124.623 124.623 127.776 -3.153 17490 2250 1 4 . 1 1 68 68 ILE HA H 358 4.293 4.293 4.820 -0.527 17490 2251 1 4 . 1 1 68 68 ILE C C 358 176.052 176.052 175.962 0.090 17490 2252 1 4 . 1 1 68 68 ILE CA C 358 61.079 61.079 60.057 1.022 17490 2253 1 4 . 1 1 68 68 ILE CB C 358 38.373 38.373 37.267 1.106 17490 2254 1 4 . 1 1 68 68 ILE H H 358 8.681 8.681 8.139 0.542 17490 2255 1 4 . 1 1 69 69 PHE N N 359 126.100 126.100 125.161 0.939 17490 2256 1 4 . 1 1 69 69 PHE HA H 359 5.130 5.130 4.312 0.818 17490 2257 1 4 . 1 1 69 69 PHE C C 359 175.355 175.355 177.186 -1.831 17490 2258 1 4 . 1 1 69 69 PHE CA C 359 58.156 58.156 62.408 -4.252 17490 2259 1 4 . 1 1 69 69 PHE CB C 359 41.592 41.592 39.328 2.264 17490 2260 1 4 . 1 1 69 69 PHE H H 359 9.086 9.086 8.543 0.543 17490 2261 1 4 . 1 1 70 70 ARG N N 360 115.935 115.935 115.745 0.190 17490 2262 1 4 . 1 1 70 70 ARG HA H 360 4.068 4.068 4.458 -0.390 17490 2263 1 4 . 1 1 70 70 ARG C C 360 175.099 175.099 174.379 0.720 17490 2264 1 4 . 1 1 70 70 ARG CA C 360 58.594 58.594 56.416 2.178 17490 2265 1 4 . 1 1 70 70 ARG CB C 360 30.664 30.664 32.328 -1.664 17490 2266 1 4 . 1 1 70 70 ARG H H 360 8.268 8.268 8.547 -0.279 17490 2267 1 4 . 1 1 71 71 ASP N N 361 113.892 113.892 115.363 -1.471 17490 2268 1 4 . 1 1 71 71 ASP HA H 361 4.880 4.880 4.708 0.172 17490 2269 1 4 . 1 1 71 71 ASP C C 361 176.087 176.087 175.585 0.502 17490 2270 1 4 . 1 1 71 71 ASP CA C 361 53.329 53.329 52.687 0.642 17490 2271 1 4 . 1 1 71 71 ASP CB C 361 44.131 44.131 43.346 0.785 17490 2272 1 4 . 1 1 71 71 ASP H H 361 7.673 7.673 7.871 -0.198 17490 2273 1 4 . 1 1 72 72 SER N N 362 118.590 118.590 117.381 1.209 17490 2274 1 4 . 1 1 72 72 SER HA H 362 4.310 4.310 4.312 -0.002 17490 2275 1 4 . 1 1 72 72 SER C C 362 176.600 176.600 176.295 0.305 17490 2276 1 4 . 1 1 72 72 SER CA C 362 60.739 60.739 61.068 -0.329 17490 2277 1 4 . 1 1 72 72 SER CB C 362 62.872 62.872 63.222 -0.350 17490 2278 1 4 . 1 1 72 72 SER H H 362 9.103 9.103 8.781 0.322 17490 2279 1 4 . 1 1 73 73 LYS N N 363 125.872 125.872 119.617 6.255 17490 2280 1 4 . 1 1 73 73 LYS HA H 363 4.134 4.134 3.837 0.297 17490 2281 1 4 . 1 1 73 73 LYS C C 363 179.386 179.386 179.125 0.261 17490 2282 1 4 . 1 1 73 73 LYS CA C 363 59.283 59.283 59.017 0.265 17490 2283 1 4 . 1 1 73 73 LYS CB C 363 31.491 31.491 31.950 -0.459 17490 2284 1 4 . 1 1 73 73 LYS H H 363 8.332 8.332 7.559 0.773 17490 2285 1 4 . 1 1 74 74 PHE N N 364 123.145 123.145 117.794 5.351 17490 2286 1 4 . 1 1 74 74 PHE HA H 364 3.968 3.968 4.229 -0.261 17490 2287 1 4 . 1 1 74 74 PHE C C 364 177.819 177.819 177.361 0.458 17490 2288 1 4 . 1 1 74 74 PHE CA C 364 61.588 61.588 59.080 2.508 17490 2289 1 4 . 1 1 74 74 PHE CB C 364 39.963 39.963 37.758 2.205 17490 2290 1 4 . 1 1 74 74 PHE H H 364 8.482 8.482 6.954 1.528 17490 2291 1 4 . 1 1 75 75 ALA N N 365 119.451 119.451 122.390 -2.939 17490 2292 1 4 . 1 1 75 75 ALA HA H 365 3.396 3.396 3.944 -0.548 17490 2293 1 4 . 1 1 75 75 ALA C C 365 178.100 178.100 179.386 -1.286 17490 2294 1 4 . 1 1 75 75 ALA CA C 365 55.584 55.584 55.029 0.555 17490 2295 1 4 . 1 1 75 75 ALA CB C 365 18.265 18.265 18.038 0.227 17490 2296 1 4 . 1 1 75 75 ALA H H 365 7.835 7.835 7.892 -0.057 17490 2297 1 4 . 1 1 76 76 ALA N N 366 117.626 117.626 120.368 -2.742 17490 2298 1 4 . 1 1 76 76 ALA HA H 366 4.033 4.033 4.168 -0.135 17490 2299 1 4 . 1 1 76 76 ALA C C 366 180.569 180.569 179.174 1.395 17490 2300 1 4 . 1 1 76 76 ALA CA C 366 54.996 54.996 54.802 0.194 17490 2301 1 4 . 1 1 76 76 ALA CB C 366 18.040 18.040 18.345 -0.304 17490 2302 1 4 . 1 1 76 76 ALA H H 366 7.680 7.680 7.916 -0.236 17490 2303 1 4 . 1 1 77 77 LYS N N 367 118.273 118.273 119.669 -1.396 17490 2304 1 4 . 1 1 77 77 LYS HA H 367 3.998 3.998 4.062 -0.064 17490 2305 1 4 . 1 1 77 77 LYS C C 367 178.964 178.964 178.489 0.475 17490 2306 1 4 . 1 1 77 77 LYS CA C 367 58.803 58.803 59.256 -0.453 17490 2307 1 4 . 1 1 77 77 LYS CB C 367 32.106 32.106 32.537 -0.431 17490 2308 1 4 . 1 1 77 77 LYS H H 367 7.302 7.302 7.833 -0.531 17490 2309 1 4 . 1 1 78 78 MET N N 368 117.578 117.578 119.308 -1.730 17490 2310 1 4 . 1 1 78 78 MET HA H 368 4.273 4.273 4.277 -0.004 17490 2311 1 4 . 1 1 78 78 MET C C 368 178.167 178.167 177.891 0.276 17490 2312 1 4 . 1 1 78 78 MET CA C 368 55.734 55.734 56.824 -1.090 17490 2313 1 4 . 1 1 78 78 MET CB C 368 32.382 32.382 32.122 0.260 17490 2314 1 4 . 1 1 78 78 MET H H 368 7.785 7.785 7.765 0.020 17490 2315 1 4 . 1 1 79 79 LEU N N 369 120.984 120.984 122.692 -1.708 17490 2316 1 4 . 1 1 79 79 LEU HA H 369 3.786 3.786 4.022 -0.236 17490 2317 1 4 . 1 1 79 79 LEU C C 369 179.060 179.060 179.008 0.052 17490 2318 1 4 . 1 1 79 79 LEU CA C 369 59.377 59.377 58.378 0.999 17490 2319 1 4 . 1 1 79 79 LEU CB C 369 42.354 42.354 42.029 0.325 17490 2320 1 4 . 1 1 79 79 LEU H H 369 8.197 8.197 8.038 0.159 17490 2321 1 4 . 1 1 80 80 MET N N 370 114.071 114.071 114.577 -0.506 17490 2322 1 4 . 1 1 80 80 MET HA H 370 4.277 4.277 4.240 0.037 17490 2323 1 4 . 1 1 80 80 MET C C 370 178.184 178.184 178.184 0.000 17490 2324 1 4 . 1 1 80 80 MET CA C 370 57.627 57.627 57.335 0.292 17490 2325 1 4 . 1 1 80 80 MET CB C 370 32.543 32.543 31.872 0.671 17490 2326 1 4 . 1 1 80 80 MET H H 370 7.018 7.018 7.884 -0.866 17490 2327 1 4 . 1 1 81 81 ILE N N 371 118.056 118.056 115.552 2.504 17490 2328 1 4 . 1 1 81 81 ILE HA H 371 3.885 3.885 4.053 -0.168 17490 2329 1 4 . 1 1 81 81 ILE C C 371 177.491 177.491 177.502 -0.011 17490 2330 1 4 . 1 1 81 81 ILE CA C 371 63.571 63.571 62.236 1.335 17490 2331 1 4 . 1 1 81 81 ILE CB C 371 38.716 38.716 38.055 0.661 17490 2332 1 4 . 1 1 81 81 ILE H H 371 7.615 7.615 7.704 -0.089 17490 2333 1 4 . 1 1 82 82 LEU N N 372 116.858 116.858 120.667 -3.809 17490 2334 1 4 . 1 1 82 82 LEU HA H 372 4.100 4.100 4.546 -0.446 17490 2335 1 4 . 1 1 82 82 LEU C C 372 178.360 178.360 176.302 2.058 17490 2336 1 4 . 1 1 82 82 LEU CA C 372 55.929 55.929 56.200 -0.271 17490 2337 1 4 . 1 1 82 82 LEU CB C 372 42.309 42.309 43.483 -1.175 17490 2338 1 4 . 1 1 82 82 LEU H H 372 8.160 8.160 8.504 -0.344 17490 2339 1 4 . 1 1 83 83 ASN N N 373 117.015 117.015 117.857 -0.842 17490 2340 1 4 . 1 1 83 83 ASN HA H 373 4.348 4.348 4.836 -0.488 17490 2341 1 4 . 1 1 83 83 ASN C C 373 175.671 175.671 174.918 0.753 17490 2342 1 4 . 1 1 83 83 ASN CA C 373 55.793 55.793 54.163 1.630 17490 2343 1 4 . 1 1 83 83 ASN CB C 373 38.434 38.434 38.673 -0.240 17490 2344 1 4 . 1 1 83 83 ASN H H 373 7.058 7.058 8.177 -1.119 17490 2345 1 4 . 1 1 84 84 GLY N N 374 116.878 116.878 111.080 5.798 17490 2346 1 4 . 1 1 84 84 GLY C C 374 174.602 174.602 173.855 0.747 17490 2347 1 4 . 1 1 84 84 GLY CA C 374 45.842 45.842 45.629 0.213 17490 2348 1 4 . 1 1 84 84 GLY H H 374 9.053 9.053 8.366 0.687 17490 2349 1 4 . 1 1 85 85 SER N N 375 116.615 116.615 116.570 0.045 17490 2350 1 4 . 1 1 85 85 SER HA H 375 4.407 4.407 4.860 -0.453 17490 2351 1 4 . 1 1 85 85 SER C C 375 171.580 171.580 173.363 -1.783 17490 2352 1 4 . 1 1 85 85 SER CA C 375 59.280 59.280 56.682 2.598 17490 2353 1 4 . 1 1 85 85 SER CB C 375 64.303 64.303 64.969 -0.666 17490 2354 1 4 . 1 1 85 85 SER H H 375 7.666 7.666 8.236 -0.570 17490 2355 1 4 . 1 1 86 86 GLN N N 376 117.824 117.824 119.194 -1.370 17490 2356 1 4 . 1 1 86 86 GLN HA H 376 4.893 4.893 5.316 -0.423 17490 2357 1 4 . 1 1 86 86 GLN C C 376 175.033 175.033 175.088 -0.055 17490 2358 1 4 . 1 1 86 86 GLN CA C 376 54.885 54.885 54.937 -0.052 17490 2359 1 4 . 1 1 86 86 GLN CB C 376 30.733 30.733 32.336 -1.603 17490 2360 1 4 . 1 1 86 86 GLN H H 376 8.381 8.381 8.288 0.093 17490 2361 1 4 . 1 1 87 87 PHE N N 377 124.095 124.095 123.432 0.663 17490 2362 1 4 . 1 1 87 87 PHE HA H 377 4.472 4.472 4.660 -0.188 17490 2363 1 4 . 1 1 87 87 PHE C C 377 174.760 174.760 174.025 0.735 17490 2364 1 4 . 1 1 87 87 PHE CA C 377 56.009 56.009 58.519 -2.510 17490 2365 1 4 . 1 1 87 87 PHE CB C 377 41.519 41.519 41.867 -0.348 17490 2366 1 4 . 1 1 87 87 PHE H H 377 8.974 8.974 8.955 0.019 17490 2367 1 4 . 1 1 88 88 GLN N N 378 126.108 126.108 121.287 4.821 17490 2368 1 4 . 1 1 88 88 GLN HA H 378 3.505 3.505 4.111 -0.606 17490 2369 1 4 . 1 1 88 88 GLN C C 378 176.162 176.162 175.472 0.690 17490 2370 1 4 . 1 1 88 88 GLN CA C 378 56.570 56.570 56.846 -0.276 17490 2371 1 4 . 1 1 88 88 GLN CB C 378 26.070 26.070 27.575 -1.505 17490 2372 1 4 . 1 1 88 88 GLN H H 378 9.139 9.139 9.096 0.043 17490 2373 1 4 . 1 1 89 89 GLY N N 379 103.132 103.132 104.387 -1.255 17490 2374 1 4 . 1 1 89 89 GLY C C 379 173.587 173.587 173.465 0.122 17490 2375 1 4 . 1 1 89 89 GLY CA C 379 45.382 45.382 44.847 0.535 17490 2376 1 4 . 1 1 89 89 GLY H H 379 8.580 8.580 8.153 0.427 17490 2377 1 4 . 1 1 90 90 LYS N N 380 119.783 119.783 118.993 0.790 17490 2378 1 4 . 1 1 90 90 LYS HA H 380 4.697 4.697 4.669 0.028 17490 2379 1 4 . 1 1 90 90 LYS C C 380 174.500 174.500 174.750 -0.250 17490 2380 1 4 . 1 1 90 90 LYS CA C 380 54.019 54.019 55.120 -1.101 17490 2381 1 4 . 1 1 90 90 LYS CB C 380 35.919 35.919 35.558 0.361 17490 2382 1 4 . 1 1 90 90 LYS H H 380 7.457 7.457 7.880 -0.423 17490 2383 1 4 . 1 1 91 91 VAL N N 381 121.517 121.517 124.021 -2.504 17490 2384 1 4 . 1 1 91 91 VAL HA H 381 4.294 4.294 4.901 -0.607 17490 2385 1 4 . 1 1 91 91 VAL C C 381 176.729 176.729 175.463 1.266 17490 2386 1 4 . 1 1 91 91 VAL CA C 381 63.176 63.176 61.446 1.730 17490 2387 1 4 . 1 1 91 91 VAL CB C 381 32.073 32.073 32.526 -0.453 17490 2388 1 4 . 1 1 91 91 VAL H H 381 8.256 8.256 8.434 -0.178 17490 2389 1 4 . 1 1 92 92 ILE N N 382 124.746 124.746 125.940 -1.194 17490 2390 1 4 . 1 1 92 92 ILE HA H 382 4.533 4.533 4.731 -0.198 17490 2391 1 4 . 1 1 92 92 ILE C C 382 173.501 173.501 174.156 -0.655 17490 2392 1 4 . 1 1 92 92 ILE CA C 382 59.249 59.249 58.881 0.368 17490 2393 1 4 . 1 1 92 92 ILE CB C 382 41.995 41.995 37.964 4.031 17490 2394 1 4 . 1 1 92 92 ILE H H 382 8.788 8.788 8.406 0.382 17490 2395 1 4 . 1 1 93 93 ARG N N 383 119.723 119.723 124.744 -5.021 17490 2396 1 4 . 1 1 93 93 ARG HA H 383 4.608 4.608 4.964 -0.356 17490 2397 1 4 . 1 1 93 93 ARG C C 383 173.979 173.979 175.113 -1.134 17490 2398 1 4 . 1 1 93 93 ARG CA C 383 53.178 53.178 54.048 -0.870 17490 2399 1 4 . 1 1 93 93 ARG CB C 383 31.724 31.724 33.507 -1.783 17490 2400 1 4 . 1 1 93 93 ARG H H 383 8.500 8.500 8.667 -0.167 17490 2401 1 4 . 1 1 94 94 SER N N 384 110.386 110.386 113.604 -3.218 17490 2402 1 4 . 1 1 94 94 SER HA H 384 5.685 5.685 5.261 0.424 17490 2403 1 4 . 1 1 94 94 SER C C 384 174.791 174.791 173.121 1.670 17490 2404 1 4 . 1 1 94 94 SER CA C 384 54.419 54.419 56.612 -2.193 17490 2405 1 4 . 1 1 94 94 SER CB C 384 67.147 67.147 67.020 0.127 17490 2406 1 4 . 1 1 94 94 SER H H 384 7.700 7.700 8.366 -0.666 17490 2407 1 4 . 1 1 95 95 GLY N N 385 106.738 106.738 105.807 0.931 17490 2408 1 4 . 1 1 95 95 GLY C C 385 171.619 171.619 172.653 -1.034 17490 2409 1 4 . 1 1 95 95 GLY CA C 385 45.904 45.904 45.908 -0.004 17490 2410 1 4 . 1 1 95 95 GLY H H 385 8.360 8.360 8.266 0.094 17490 2411 1 4 . 1 1 96 96 THR N N 386 111.493 111.493 112.816 -1.323 17490 2412 1 4 . 1 1 96 96 THR HA H 386 4.604 4.604 4.710 -0.106 17490 2413 1 4 . 1 1 96 96 THR C C 386 175.600 175.600 175.949 -0.349 17490 2414 1 4 . 1 1 96 96 THR CA C 386 60.901 60.901 60.716 0.185 17490 2415 1 4 . 1 1 96 96 THR CB C 386 71.709 71.709 71.164 0.545 17490 2416 1 4 . 1 1 96 96 THR H H 386 9.274 9.274 8.161 1.113 17490 2417 1 4 . 1 1 97 97 ILE N N 387 121.293 121.293 116.983 4.310 17490 2418 1 4 . 1 1 97 97 ILE HA H 387 3.881 3.881 4.079 -0.198 17490 2419 1 4 . 1 1 97 97 ILE C C 387 178.109 178.109 177.123 0.986 17490 2420 1 4 . 1 1 97 97 ILE CA C 387 65.826 65.826 63.760 2.066 17490 2421 1 4 . 1 1 97 97 ILE CB C 387 37.717 37.717 37.805 -0.088 17490 2422 1 4 . 1 1 97 97 ILE H H 387 9.339 9.339 8.091 1.248 17490 2423 1 4 . 1 1 98 98 ASN N N 388 117.358 117.358 118.708 -1.350 17490 2424 1 4 . 1 1 98 98 ASN HA H 388 4.224 4.224 4.388 -0.164 17490 2425 1 4 . 1 1 98 98 ASN C C 388 178.040 178.040 176.826 1.214 17490 2426 1 4 . 1 1 98 98 ASN CA C 388 56.205 56.205 56.291 -0.086 17490 2427 1 4 . 1 1 98 98 ASN CB C 388 37.719 37.719 38.582 -0.863 17490 2428 1 4 . 1 1 98 98 ASN H H 388 8.162 8.162 7.972 0.190 17490 2429 1 4 . 1 1 99 99 ASP N N 389 121.336 121.336 120.231 1.105 17490 2430 1 4 . 1 1 99 99 ASP HA H 389 4.236 4.236 4.119 0.117 17490 2431 1 4 . 1 1 99 99 ASP C C 389 177.813 177.813 177.383 0.430 17490 2432 1 4 . 1 1 99 99 ASP CA C 389 57.639 57.639 56.248 1.391 17490 2433 1 4 . 1 1 99 99 ASP CB C 389 40.497 40.497 40.403 0.094 17490 2434 1 4 . 1 1 99 99 ASP H H 389 7.865 7.865 8.216 -0.351 17490 2435 1 4 . 1 1 100 100 MET N N 390 122.932 122.932 118.340 4.592 17490 2436 1 4 . 1 1 100 100 MET HA H 390 4.499 4.499 3.824 0.675 17490 2437 1 4 . 1 1 100 100 MET C C 390 178.081 178.081 177.811 0.270 17490 2438 1 4 . 1 1 100 100 MET CA C 390 58.402 58.402 59.052 -0.650 17490 2439 1 4 . 1 1 100 100 MET CB C 390 32.263 32.263 32.710 -0.447 17490 2440 1 4 . 1 1 100 100 MET H H 390 7.874 7.874 7.358 0.516 17490 2441 1 4 . 1 1 101 101 LYS N N 391 118.764 118.764 119.738 -0.974 17490 2442 1 4 . 1 1 101 101 LYS HA H 391 3.484 3.484 4.304 -0.820 17490 2443 1 4 . 1 1 101 101 LYS C C 391 178.102 178.102 179.517 -1.415 17490 2444 1 4 . 1 1 101 101 LYS CA C 391 60.070 60.070 59.228 0.842 17490 2445 1 4 . 1 1 101 101 LYS CB C 391 32.468 32.468 31.788 0.680 17490 2446 1 4 . 1 1 101 101 LYS H H 391 7.994 7.994 7.792 0.202 17490 2447 1 4 . 1 1 102 102 ARG N N 392 118.974 118.974 119.858 -0.884 17490 2448 1 4 . 1 1 102 102 ARG HA H 392 3.971 3.971 4.130 -0.159 17490 2449 1 4 . 1 1 102 102 ARG C C 392 178.433 178.433 178.829 -0.396 17490 2450 1 4 . 1 1 102 102 ARG CA C 392 59.485 59.485 58.899 0.586 17490 2451 1 4 . 1 1 102 102 ARG CB C 392 30.282 30.282 29.931 0.351 17490 2452 1 4 . 1 1 102 102 ARG H H 392 8.088 8.088 7.966 0.122 17490 2453 1 4 . 1 1 103 103 TYR N N 393 119.904 119.904 119.597 0.307 17490 2454 1 4 . 1 1 103 103 TYR HA H 393 4.017 4.017 4.179 -0.162 17490 2455 1 4 . 1 1 103 103 TYR C C 393 177.819 177.819 178.617 -0.798 17490 2456 1 4 . 1 1 103 103 TYR CA C 393 61.926 61.926 59.037 2.889 17490 2457 1 4 . 1 1 103 103 TYR CB C 393 39.373 39.373 37.388 1.985 17490 2458 1 4 . 1 1 103 103 TYR H H 393 8.058 8.058 8.092 -0.034 17490 2459 1 4 . 1 1 104 104 TYR N N 394 119.418 119.418 120.605 -1.187 17490 2460 1 4 . 1 1 104 104 TYR HA H 394 4.167 4.167 4.232 -0.065 17490 2461 1 4 . 1 1 104 104 TYR C C 394 177.920 177.920 177.436 0.484 17490 2462 1 4 . 1 1 104 104 TYR CA C 394 61.764 61.764 61.017 0.747 17490 2463 1 4 . 1 1 104 104 TYR CB C 394 39.162 39.162 38.400 0.762 17490 2464 1 4 . 1 1 104 104 TYR H H 394 7.846 7.846 8.857 -1.011 17490 2465 1 4 . 1 1 105 105 ASN N N 395 117.373 117.373 117.788 -0.415 17490 2466 1 4 . 1 1 105 105 ASN HA H 395 4.414 4.414 3.951 0.463 17490 2467 1 4 . 1 1 105 105 ASN C C 395 176.906 176.906 177.377 -0.471 17490 2468 1 4 . 1 1 105 105 ASN CA C 395 55.691 55.691 56.556 -0.865 17490 2469 1 4 . 1 1 105 105 ASN CB C 395 38.472 38.472 38.079 0.393 17490 2470 1 4 . 1 1 105 105 ASN H H 395 8.499 8.499 8.122 0.377 17490 2471 1 4 . 1 1 106 106 ASN N N 396 118.101 118.101 117.440 0.661 17490 2472 1 4 . 1 1 106 106 ASN HA H 396 4.531 4.531 4.504 0.027 17490 2473 1 4 . 1 1 106 106 ASN C C 396 176.450 176.450 177.537 -1.087 17490 2474 1 4 . 1 1 106 106 ASN CA C 396 54.775 54.775 55.452 -0.677 17490 2475 1 4 . 1 1 106 106 ASN CB C 396 38.543 38.543 38.575 -0.032 17490 2476 1 4 . 1 1 106 106 ASN H H 396 8.081 8.081 8.044 0.037 17490 2477 1 4 . 1 1 107 107 GLN N N 397 118.903 118.903 118.201 0.702 17490 2478 1 4 . 1 1 107 107 GLN HA H 397 3.977 3.977 4.152 -0.175 17490 2479 1 4 . 1 1 107 107 GLN C C 397 176.907 176.907 177.824 -0.917 17490 2480 1 4 . 1 1 107 107 GLN CA C 397 56.815 56.815 58.133 -1.318 17490 2481 1 4 . 1 1 107 107 GLN CB C 397 28.610 28.610 29.026 -0.416 17490 2482 1 4 . 1 1 107 107 GLN H H 397 7.772 7.772 7.864 -0.092 17490 2483 1 4 . 1 1 108 108 GLN N N 398 118.101 118.101 117.352 0.749 17490 2484 1 4 . 1 1 108 108 GLN HA H 398 3.920 3.920 4.041 -0.121 17490 2485 1 4 . 1 1 108 108 GLN C C 398 176.321 176.321 176.521 -0.200 17490 2486 1 4 . 1 1 108 108 GLN CA C 398 56.554 56.554 57.504 -0.950 17490 2487 1 4 . 1 1 108 108 GLN CB C 398 28.650 28.650 29.284 -0.634 17490 2488 1 4 . 1 1 108 108 GLN H H 398 7.854 7.854 8.039 -0.185 17490 2489 1 5 . 1 1 3 3 LEU N N 293 125.082 125.082 122.530 2.552 17490 2490 1 5 . 1 1 3 3 LEU HA H 293 4.292 4.292 4.555 -0.263 17490 2491 1 5 . 1 1 3 3 LEU C C 293 177.442 177.442 178.214 -0.772 17490 2492 1 5 . 1 1 3 3 LEU CA C 293 55.523 55.523 54.825 0.698 17490 2493 1 5 . 1 1 3 3 LEU CB C 293 42.516 42.516 43.189 -0.673 17490 2494 1 5 . 1 1 3 3 LEU H H 293 8.321 8.321 8.436 -0.115 17490 2495 1 5 . 1 1 4 4 GLU N N 294 122.906 122.906 125.033 -2.127 17490 2496 1 5 . 1 1 4 4 GLU HA H 294 4.069 4.069 3.919 0.150 17490 2497 1 5 . 1 1 4 4 GLU C C 294 177.158 177.158 178.756 -1.598 17490 2498 1 5 . 1 1 4 4 GLU CA C 294 58.307 58.307 60.806 -2.499 17490 2499 1 5 . 1 1 4 4 GLU CB C 294 29.676 29.676 28.882 0.794 17490 2500 1 5 . 1 1 4 4 GLU H H 294 8.521 8.521 9.074 -0.553 17490 2501 1 5 . 1 1 5 5 ARG N N 295 120.270 120.270 116.238 4.032 17490 2502 1 5 . 1 1 5 5 ARG HA H 295 4.131 4.131 4.009 0.122 17490 2503 1 5 . 1 1 5 5 ARG C C 295 177.768 177.768 178.713 -0.945 17490 2504 1 5 . 1 1 5 5 ARG CA C 295 58.082 58.082 59.586 -1.504 17490 2505 1 5 . 1 1 5 5 ARG CB C 295 30.192 30.192 29.480 0.712 17490 2506 1 5 . 1 1 5 5 ARG H H 295 8.327 8.327 8.664 -0.337 17490 2507 1 5 . 1 1 6 6 ASN N N 296 118.639 118.639 118.178 0.461 17490 2508 1 5 . 1 1 6 6 ASN HA H 296 4.554 4.554 4.604 -0.050 17490 2509 1 5 . 1 1 6 6 ASN C C 296 176.830 176.830 177.644 -0.814 17490 2510 1 5 . 1 1 6 6 ASN CA C 296 54.901 54.901 55.931 -1.030 17490 2511 1 5 . 1 1 6 6 ASN CB C 296 38.115 38.115 38.300 -0.185 17490 2512 1 5 . 1 1 6 6 ASN H H 296 8.257 8.257 8.078 0.179 17490 2513 1 5 . 1 1 7 7 GLU N N 297 123.935 123.935 121.730 2.205 17490 2514 1 5 . 1 1 7 7 GLU HA H 297 4.266 4.266 4.362 -0.096 17490 2515 1 5 . 1 1 7 7 GLU C C 297 178.102 178.102 178.972 -0.870 17490 2516 1 5 . 1 1 7 7 GLU CA C 297 58.897 58.897 59.337 -0.440 17490 2517 1 5 . 1 1 7 7 GLU CB C 297 29.814 29.814 30.046 -0.232 17490 2518 1 5 . 1 1 7 7 GLU H H 297 8.185 8.185 8.467 -0.282 17490 2519 1 5 . 1 1 8 8 VAL N N 298 118.916 118.916 119.810 -0.894 17490 2520 1 5 . 1 1 8 8 VAL HA H 298 3.399 3.399 3.545 -0.146 17490 2521 1 5 . 1 1 8 8 VAL C C 298 177.131 177.131 177.671 -0.540 17490 2522 1 5 . 1 1 8 8 VAL CA C 298 67.619 67.619 66.924 0.695 17490 2523 1 5 . 1 1 8 8 VAL CB C 298 32.041 32.041 31.670 0.371 17490 2524 1 5 . 1 1 8 8 VAL H H 298 8.095 8.095 8.957 -0.862 17490 2525 1 5 . 1 1 9 9 LYS N N 299 117.791 117.791 119.828 -2.037 17490 2526 1 5 . 1 1 9 9 LYS HA H 299 3.804 3.804 4.065 -0.261 17490 2527 1 5 . 1 1 9 9 LYS C C 299 179.259 179.259 178.418 0.841 17490 2528 1 5 . 1 1 9 9 LYS CA C 299 59.806 59.806 59.074 0.732 17490 2529 1 5 . 1 1 9 9 LYS CB C 299 32.290 32.290 31.968 0.322 17490 2530 1 5 . 1 1 9 9 LYS H H 299 7.771 7.771 7.816 -0.045 17490 2531 1 5 . 1 1 10 10 ARG N N 300 119.032 119.032 119.738 -0.706 17490 2532 1 5 . 1 1 10 10 ARG HA H 300 3.934 3.934 3.987 -0.053 17490 2533 1 5 . 1 1 10 10 ARG C C 300 179.680 179.680 178.655 1.025 17490 2534 1 5 . 1 1 10 10 ARG CA C 300 59.444 59.444 59.502 -0.058 17490 2535 1 5 . 1 1 10 10 ARG CB C 300 30.190 30.190 30.015 0.175 17490 2536 1 5 . 1 1 10 10 ARG H H 300 7.834 7.834 7.859 -0.025 17490 2537 1 5 . 1 1 11 11 LEU N N 301 120.881 120.881 119.974 0.907 17490 2538 1 5 . 1 1 11 11 LEU HA H 301 3.890 3.890 4.081 -0.191 17490 2539 1 5 . 1 1 11 11 LEU C C 301 178.937 178.937 179.293 -0.356 17490 2540 1 5 . 1 1 11 11 LEU CA C 301 58.067 58.067 58.004 0.063 17490 2541 1 5 . 1 1 11 11 LEU CB C 301 42.051 42.051 41.532 0.519 17490 2542 1 5 . 1 1 11 11 LEU H H 301 8.147 8.147 8.234 -0.087 17490 2543 1 5 . 1 1 12 12 LEU N N 302 116.294 116.294 117.074 -0.780 17490 2544 1 5 . 1 1 12 12 LEU HA H 302 3.874 3.874 3.939 -0.065 17490 2545 1 5 . 1 1 12 12 LEU C C 302 177.360 177.360 178.259 -0.899 17490 2546 1 5 . 1 1 12 12 LEU CA C 302 57.498 57.498 57.786 -0.288 17490 2547 1 5 . 1 1 12 12 LEU CB C 302 41.506 41.506 41.972 -0.466 17490 2548 1 5 . 1 1 12 12 LEU H H 302 8.331 8.331 7.768 0.563 17490 2549 1 5 . 1 1 13 13 ALA N N 303 117.998 117.998 117.478 0.520 17490 2550 1 5 . 1 1 13 13 ALA HA H 303 4.480 4.480 4.383 0.097 17490 2551 1 5 . 1 1 13 13 ALA C C 303 177.554 177.554 177.883 -0.329 17490 2552 1 5 . 1 1 13 13 ALA CA C 303 51.290 51.290 51.589 -0.299 17490 2553 1 5 . 1 1 13 13 ALA CB C 303 19.810 19.810 19.858 -0.048 17490 2554 1 5 . 1 1 13 13 ALA H H 303 7.109 7.109 7.602 -0.493 17490 2555 1 5 . 1 1 14 14 SER N N 304 114.833 114.833 115.454 -0.621 17490 2556 1 5 . 1 1 14 14 SER HA H 304 4.175 4.175 4.277 -0.102 17490 2557 1 5 . 1 1 14 14 SER C C 304 175.762 175.762 174.677 1.085 17490 2558 1 5 . 1 1 14 14 SER CA C 304 59.344 59.344 58.828 0.516 17490 2559 1 5 . 1 1 14 14 SER CB C 304 63.704 63.704 63.538 0.166 17490 2560 1 5 . 1 1 14 14 SER H H 304 7.265 7.265 7.894 -0.629 17490 2561 1 5 . 1 1 15 15 ARG N N 305 125.370 125.370 126.436 -1.066 17490 2562 1 5 . 1 1 15 15 ARG HA H 305 4.555 4.555 4.334 0.221 17490 2563 1 5 . 1 1 15 15 ARG C C 305 175.442 175.442 176.143 -0.701 17490 2564 1 5 . 1 1 15 15 ARG CA C 305 54.847 54.847 55.952 -1.105 17490 2565 1 5 . 1 1 15 15 ARG CB C 305 30.415 30.415 30.273 0.142 17490 2566 1 5 . 1 1 15 15 ARG H H 305 8.872 8.872 8.557 0.315 17490 2567 1 5 . 1 1 16 16 ASN N N 306 120.536 120.536 120.330 0.206 17490 2568 1 5 . 1 1 16 16 ASN HA H 306 4.774 4.774 4.628 0.146 17490 2569 1 5 . 1 1 16 16 ASN C C 306 175.146 175.146 176.399 -1.253 17490 2570 1 5 . 1 1 16 16 ASN CA C 306 52.434 52.434 53.458 -1.024 17490 2571 1 5 . 1 1 16 16 ASN CB C 306 38.294 38.294 38.161 0.133 17490 2572 1 5 . 1 1 16 16 ASN H H 306 8.367 8.367 7.809 0.558 17490 2573 1 5 . 1 1 17 17 SER N N 307 121.694 121.694 122.883 -1.189 17490 2574 1 5 . 1 1 17 17 SER HA H 307 4.090 4.090 4.377 -0.287 17490 2575 1 5 . 1 1 17 17 SER C C 307 175.970 175.970 174.894 1.076 17490 2576 1 5 . 1 1 17 17 SER CA C 307 61.484 61.484 60.107 1.377 17490 2577 1 5 . 1 1 17 17 SER CB C 307 62.850 62.850 62.884 -0.034 17490 2578 1 5 . 1 1 17 17 SER H H 307 8.656 8.656 8.654 0.002 17490 2579 1 5 . 1 1 18 18 LYS N N 308 120.961 120.961 122.030 -1.069 17490 2580 1 5 . 1 1 18 18 LYS HA H 308 4.115 4.115 4.159 -0.044 17490 2581 1 5 . 1 1 18 18 LYS C C 308 178.999 178.999 177.849 1.150 17490 2582 1 5 . 1 1 18 18 LYS CA C 308 58.606 58.606 58.911 -0.305 17490 2583 1 5 . 1 1 18 18 LYS CB C 308 31.614 31.614 32.639 -1.025 17490 2584 1 5 . 1 1 18 18 LYS H H 308 8.060 8.060 7.713 0.347 17490 2585 1 5 . 1 1 19 19 GLU N N 309 118.377 118.377 119.626 -1.249 17490 2586 1 5 . 1 1 19 19 GLU HA H 309 4.198 4.198 4.078 0.120 17490 2587 1 5 . 1 1 19 19 GLU C C 309 178.136 178.136 178.306 -0.170 17490 2588 1 5 . 1 1 19 19 GLU CA C 309 57.939 57.939 59.015 -1.076 17490 2589 1 5 . 1 1 19 19 GLU CB C 309 30.115 30.115 29.651 0.464 17490 2590 1 5 . 1 1 19 19 GLU H H 309 7.520 7.520 7.545 -0.025 17490 2591 1 5 . 1 1 20 20 LEU N N 310 118.101 118.101 116.940 1.161 17490 2592 1 5 . 1 1 20 20 LEU HA H 310 4.168 4.168 4.124 0.044 17490 2593 1 5 . 1 1 20 20 LEU C C 310 179.112 179.112 177.729 1.383 17490 2594 1 5 . 1 1 20 20 LEU CA C 310 56.583 56.583 56.868 -0.285 17490 2595 1 5 . 1 1 20 20 LEU CB C 310 41.611 41.611 41.450 0.161 17490 2596 1 5 . 1 1 20 20 LEU H H 310 7.741 7.741 7.511 0.230 17490 2597 1 5 . 1 1 21 21 GLU N N 311 116.130 116.130 116.722 -0.592 17490 2598 1 5 . 1 1 21 21 GLU HA H 311 4.342 4.342 4.285 0.057 17490 2599 1 5 . 1 1 21 21 GLU C C 311 176.928 176.928 178.635 -1.707 17490 2600 1 5 . 1 1 21 21 GLU CA C 311 58.216 58.216 58.339 -0.123 17490 2601 1 5 . 1 1 21 21 GLU CB C 311 29.608 29.608 29.998 -0.390 17490 2602 1 5 . 1 1 21 21 GLU H H 311 7.747 7.747 7.380 0.367 17490 2603 1 5 . 1 1 22 22 THR N N 312 106.131 106.131 116.160 -10.029 17490 2604 1 5 . 1 1 22 22 THR HA H 312 4.182 4.182 4.255 -0.073 17490 2605 1 5 . 1 1 22 22 THR C C 312 172.032 172.032 173.156 -1.124 17490 2606 1 5 . 1 1 22 22 THR CA C 312 61.539 61.539 63.876 -2.337 17490 2607 1 5 . 1 1 22 22 THR CB C 312 69.426 69.426 67.868 1.558 17490 2608 1 5 . 1 1 22 22 THR H H 312 7.446 7.446 8.034 -0.588 17490 2609 1 5 . 1 1 23 23 LEU N N 313 120.178 120.178 115.463 4.715 17490 2610 1 5 . 1 1 23 23 LEU HA H 313 5.869 5.869 5.106 0.763 17490 2611 1 5 . 1 1 23 23 LEU C C 313 175.604 175.604 174.101 1.503 17490 2612 1 5 . 1 1 23 23 LEU CA C 313 52.838 52.838 53.995 -1.157 17490 2613 1 5 . 1 1 23 23 LEU CB C 313 46.851 46.851 45.754 1.097 17490 2614 1 5 . 1 1 23 23 LEU H H 313 7.538 7.538 7.155 0.383 17490 2615 1 5 . 1 1 24 24 ILE N N 314 113.990 113.990 111.962 2.028 17490 2616 1 5 . 1 1 24 24 ILE HA H 314 4.717 4.717 4.638 0.079 17490 2617 1 5 . 1 1 24 24 ILE C C 314 173.530 173.530 173.488 0.042 17490 2618 1 5 . 1 1 24 24 ILE CA C 314 59.368 59.368 60.299 -0.931 17490 2619 1 5 . 1 1 24 24 ILE CB C 314 42.319 42.319 42.000 0.319 17490 2620 1 5 . 1 1 24 24 ILE H H 314 8.904 8.904 8.506 0.398 17490 2621 1 5 . 1 1 25 25 CYS N N 315 117.755 117.755 119.507 -1.752 17490 2622 1 5 . 1 1 25 25 CYS HA H 315 5.914 5.914 5.199 0.715 17490 2623 1 5 . 1 1 25 25 CYS C C 315 174.153 174.153 174.423 -0.270 17490 2624 1 5 . 1 1 25 25 CYS CA C 315 57.187 57.187 56.455 0.732 17490 2625 1 5 . 1 1 25 25 CYS CB C 315 31.754 31.754 27.809 3.945 17490 2626 1 5 . 1 1 25 25 CYS H H 315 9.021 9.021 8.808 0.213 17490 2627 1 5 . 1 1 26 26 LEU N N 316 119.952 119.952 125.710 -5.758 17490 2628 1 5 . 1 1 26 26 LEU HA H 316 5.363 5.363 4.274 1.089 17490 2629 1 5 . 1 1 26 26 LEU C C 316 176.015 176.015 175.749 0.266 17490 2630 1 5 . 1 1 26 26 LEU CA C 316 53.072 53.072 54.431 -1.359 17490 2631 1 5 . 1 1 26 26 LEU CB C 316 45.891 45.891 41.748 4.143 17490 2632 1 5 . 1 1 26 26 LEU H H 316 8.778 8.778 8.691 0.087 17490 2633 1 5 . 1 1 27 27 PHE N N 317 116.116 116.116 121.034 -4.918 17490 2634 1 5 . 1 1 27 27 PHE HA H 317 4.158 4.158 5.261 -1.103 17490 2635 1 5 . 1 1 27 27 PHE CA C 317 55.594 55.594 54.416 1.178 17490 2636 1 5 . 1 1 27 27 PHE CB C 317 37.765 37.765 38.989 -1.224 17490 2637 1 5 . 1 1 27 27 PHE H H 317 7.827 7.827 8.673 -0.846 17490 2638 1 5 . 1 1 28 28 PRO HA H 318 5.322 5.322 4.677 0.645 17490 2639 1 5 . 1 1 28 28 PRO C C 318 175.163 175.163 175.183 -0.020 17490 2640 1 5 . 1 1 28 28 PRO CA C 318 61.657 61.657 62.312 -0.654 17490 2641 1 5 . 1 1 28 28 PRO CB C 318 34.356 34.356 31.697 2.659 17490 2642 1 5 . 1 1 29 29 LEU N N 319 120.206 120.206 118.880 1.326 17490 2643 1 5 . 1 1 29 29 LEU HA H 319 4.674 4.674 4.640 0.034 17490 2644 1 5 . 1 1 29 29 LEU C C 319 176.806 176.806 175.907 0.899 17490 2645 1 5 . 1 1 29 29 LEU CA C 319 52.817 52.817 53.139 -0.321 17490 2646 1 5 . 1 1 29 29 LEU CB C 319 45.029 45.029 42.073 2.956 17490 2647 1 5 . 1 1 29 29 LEU H H 319 8.365 8.365 7.674 0.691 17490 2648 1 5 . 1 1 30 30 SER N N 320 117.220 117.220 118.448 -1.228 17490 2649 1 5 . 1 1 30 30 SER HA H 320 4.475 4.475 4.380 0.095 17490 2650 1 5 . 1 1 30 30 SER C C 320 174.677 174.677 174.921 -0.244 17490 2651 1 5 . 1 1 30 30 SER CA C 320 57.768 57.768 58.756 -0.988 17490 2652 1 5 . 1 1 30 30 SER CB C 320 64.118 64.118 63.860 0.258 17490 2653 1 5 . 1 1 30 30 SER H H 320 8.652 8.652 8.569 0.083 17490 2654 1 5 . 1 1 31 31 ASP N N 321 121.514 121.514 117.490 4.024 17490 2655 1 5 . 1 1 31 31 ASP HA H 321 4.471 4.471 4.584 -0.113 17490 2656 1 5 . 1 1 31 31 ASP C C 321 176.811 176.811 175.995 0.816 17490 2657 1 5 . 1 1 31 31 ASP CA C 321 55.388 55.388 55.430 -0.042 17490 2658 1 5 . 1 1 31 31 ASP CB C 321 40.060 40.060 40.643 -0.583 17490 2659 1 5 . 1 1 31 31 ASP H H 321 8.587 8.587 8.580 0.007 17490 2660 1 5 . 1 1 32 32 LYS N N 322 117.990 117.990 120.036 -2.046 17490 2661 1 5 . 1 1 32 32 LYS HA H 322 4.331 4.331 4.507 -0.176 17490 2662 1 5 . 1 1 32 32 LYS C C 322 176.804 176.804 175.396 1.408 17490 2663 1 5 . 1 1 32 32 LYS CA C 322 55.545 55.545 55.711 -0.166 17490 2664 1 5 . 1 1 32 32 LYS CB C 322 31.942 31.942 33.089 -1.147 17490 2665 1 5 . 1 1 32 32 LYS H H 322 8.053 8.053 8.202 -0.149 17490 2666 1 5 . 1 1 33 33 VAL N N 323 119.570 119.570 117.086 2.484 17490 2667 1 5 . 1 1 33 33 VAL HA H 323 3.922 3.922 4.365 -0.443 17490 2668 1 5 . 1 1 33 33 VAL C C 323 173.362 173.362 175.712 -2.350 17490 2669 1 5 . 1 1 33 33 VAL CA C 323 63.294 63.294 60.518 2.776 17490 2670 1 5 . 1 1 33 33 VAL CB C 323 32.410 32.410 32.923 -0.513 17490 2671 1 5 . 1 1 33 33 VAL H H 323 7.333 7.333 7.771 -0.438 17490 2672 1 5 . 1 1 34 34 SER N N 324 118.908 118.908 116.148 2.760 17490 2673 1 5 . 1 1 34 34 SER HA H 324 5.104 5.104 4.872 0.232 17490 2674 1 5 . 1 1 34 34 SER CA C 324 55.114 55.114 56.152 -1.038 17490 2675 1 5 . 1 1 34 34 SER CB C 324 64.522 64.522 65.436 -0.914 17490 2676 1 5 . 1 1 34 34 SER H H 324 7.099 7.099 8.138 -1.039 17490 2677 1 5 . 1 1 35 35 PRO HA H 325 4.038 4.038 4.134 -0.096 17490 2678 1 5 . 1 1 35 35 PRO C C 325 178.107 178.107 178.434 -0.327 17490 2679 1 5 . 1 1 35 35 PRO CA C 325 66.275 66.275 65.582 0.694 17490 2680 1 5 . 1 1 35 35 PRO CB C 325 31.873 31.873 31.886 -0.013 17490 2681 1 5 . 1 1 36 36 SER N N 326 111.480 111.480 114.274 -2.794 17490 2682 1 5 . 1 1 36 36 SER HA H 326 4.179 4.179 4.263 -0.084 17490 2683 1 5 . 1 1 36 36 SER C C 326 176.897 176.897 176.859 0.038 17490 2684 1 5 . 1 1 36 36 SER CA C 326 61.731 61.731 61.276 0.455 17490 2685 1 5 . 1 1 36 36 SER CB C 326 62.211 62.211 62.464 -0.253 17490 2686 1 5 . 1 1 36 36 SER H H 326 8.172 8.172 8.373 -0.201 17490 2687 1 5 . 1 1 37 37 LEU N N 327 123.898 123.898 122.681 1.217 17490 2688 1 5 . 1 1 37 37 LEU HA H 327 4.311 4.311 4.042 0.269 17490 2689 1 5 . 1 1 37 37 LEU C C 327 180.292 180.292 179.156 1.136 17490 2690 1 5 . 1 1 37 37 LEU CA C 327 57.921 57.921 57.550 0.371 17490 2691 1 5 . 1 1 37 37 LEU CB C 327 42.694 42.694 41.364 1.330 17490 2692 1 5 . 1 1 37 37 LEU H H 327 7.751 7.751 8.130 -0.379 17490 2693 1 5 . 1 1 38 38 ILE N N 328 119.411 119.411 119.874 -0.463 17490 2694 1 5 . 1 1 38 38 ILE HA H 328 3.627 3.627 3.696 -0.069 17490 2695 1 5 . 1 1 38 38 ILE C C 328 176.884 176.884 177.967 -1.083 17490 2696 1 5 . 1 1 38 38 ILE CA C 328 65.153 65.153 65.416 -0.263 17490 2697 1 5 . 1 1 38 38 ILE CB C 328 37.446 37.446 38.167 -0.721 17490 2698 1 5 . 1 1 38 38 ILE H H 328 7.636 7.636 7.743 -0.107 17490 2699 1 5 . 1 1 39 39 CYS N N 329 120.430 120.430 117.828 2.602 17490 2700 1 5 . 1 1 39 39 CYS HA H 329 3.743 3.743 3.946 -0.203 17490 2701 1 5 . 1 1 39 39 CYS C C 329 176.205 176.205 176.965 -0.760 17490 2702 1 5 . 1 1 39 39 CYS CA C 329 63.564 63.564 63.742 -0.178 17490 2703 1 5 . 1 1 39 39 CYS CB C 329 26.285 26.285 27.416 -1.131 17490 2704 1 5 . 1 1 39 39 CYS H H 329 8.640 8.640 7.623 1.017 17490 2705 1 5 . 1 1 40 40 GLN N N 330 118.263 118.263 119.218 -0.955 17490 2706 1 5 . 1 1 40 40 GLN HA H 330 4.099 4.099 3.941 0.158 17490 2707 1 5 . 1 1 40 40 GLN C C 330 177.445 177.445 178.587 -1.142 17490 2708 1 5 . 1 1 40 40 GLN CA C 330 59.496 59.496 58.643 0.853 17490 2709 1 5 . 1 1 40 40 GLN CB C 330 28.469 28.469 28.111 0.358 17490 2710 1 5 . 1 1 40 40 GLN H H 330 8.213 8.213 8.074 0.139 17490 2711 1 5 . 1 1 41 41 PHE N N 331 121.411 121.411 120.556 0.855 17490 2712 1 5 . 1 1 41 41 PHE HA H 331 4.661 4.661 4.162 0.499 17490 2713 1 5 . 1 1 41 41 PHE C C 331 177.475 177.475 177.455 0.020 17490 2714 1 5 . 1 1 41 41 PHE CA C 331 60.181 60.181 60.961 -0.780 17490 2715 1 5 . 1 1 41 41 PHE CB C 331 39.561 39.561 38.974 0.587 17490 2716 1 5 . 1 1 41 41 PHE H H 331 7.806 7.806 8.211 -0.405 17490 2717 1 5 . 1 1 42 42 LEU N N 332 119.016 119.016 119.786 -0.770 17490 2718 1 5 . 1 1 42 42 LEU HA H 332 3.508 3.508 3.625 -0.117 17490 2719 1 5 . 1 1 42 42 LEU C C 332 178.495 178.495 178.933 -0.438 17490 2720 1 5 . 1 1 42 42 LEU CA C 332 57.545 57.545 57.834 -0.289 17490 2721 1 5 . 1 1 42 42 LEU CB C 332 40.880 40.880 41.621 -0.741 17490 2722 1 5 . 1 1 42 42 LEU H H 332 8.436 8.436 7.889 0.547 17490 2723 1 5 . 1 1 43 43 GLN N N 333 116.210 116.210 116.869 -0.659 17490 2724 1 5 . 1 1 43 43 GLN HA H 333 4.590 4.590 4.136 0.454 17490 2725 1 5 . 1 1 43 43 GLN C C 333 178.499 178.499 178.578 -0.079 17490 2726 1 5 . 1 1 43 43 GLN CA C 333 58.875 58.875 58.820 0.055 17490 2727 1 5 . 1 1 43 43 GLN CB C 333 30.846 30.846 28.525 2.321 17490 2728 1 5 . 1 1 43 43 GLN H H 333 8.236 8.236 8.624 -0.388 17490 2729 1 5 . 1 1 44 44 GLU N N 334 117.050 117.050 119.793 -2.743 17490 2730 1 5 . 1 1 44 44 GLU HA H 334 4.116 4.116 4.083 0.033 17490 2731 1 5 . 1 1 44 44 GLU C C 334 177.407 177.407 177.658 -0.251 17490 2732 1 5 . 1 1 44 44 GLU CA C 334 58.756 58.756 58.983 -0.227 17490 2733 1 5 . 1 1 44 44 GLU CB C 334 30.518 30.518 29.687 0.831 17490 2734 1 5 . 1 1 44 44 GLU H H 334 8.926 8.926 8.279 0.647 17490 2735 1 5 . 1 1 45 45 GLU N N 335 114.950 114.950 115.893 -0.943 17490 2736 1 5 . 1 1 45 45 GLU HA H 335 4.354 4.354 4.040 0.314 17490 2737 1 5 . 1 1 45 45 GLU C C 335 176.873 176.873 177.701 -0.828 17490 2738 1 5 . 1 1 45 45 GLU CA C 335 57.018 57.018 56.962 0.056 17490 2739 1 5 . 1 1 45 45 GLU CB C 335 29.537 29.537 31.206 -1.669 17490 2740 1 5 . 1 1 45 45 GLU H H 335 8.054 8.054 7.763 0.291 17490 2741 1 5 . 1 1 46 46 ILE N N 336 115.649 115.649 115.108 0.541 17490 2742 1 5 . 1 1 46 46 ILE HA H 336 3.895 3.895 3.954 -0.059 17490 2743 1 5 . 1 1 46 46 ILE C C 336 175.873 175.873 175.603 0.270 17490 2744 1 5 . 1 1 46 46 ILE CA C 336 58.097 58.097 61.072 -2.974 17490 2745 1 5 . 1 1 46 46 ILE CB C 336 35.077 35.077 38.039 -2.962 17490 2746 1 5 . 1 1 46 46 ILE H H 336 6.749 6.749 7.562 -0.813 17490 2747 1 5 . 1 1 47 47 HIS N N 337 111.685 111.685 113.519 -1.834 17490 2748 1 5 . 1 1 47 47 HIS HA H 337 4.520 4.520 4.376 0.144 17490 2749 1 5 . 1 1 47 47 HIS C C 337 174.787 174.787 174.682 0.105 17490 2750 1 5 . 1 1 47 47 HIS CA C 337 56.387 56.387 56.923 -0.536 17490 2751 1 5 . 1 1 47 47 HIS CB C 337 24.947 24.947 26.366 -1.419 17490 2752 1 5 . 1 1 47 47 HIS H H 337 6.652 6.652 7.271 -0.619 17490 2753 1 5 . 1 1 48 48 ILE N N 338 118.069 118.069 119.725 -1.656 17490 2754 1 5 . 1 1 48 48 ILE HA H 338 4.433 4.433 4.039 0.394 17490 2755 1 5 . 1 1 48 48 ILE C C 338 175.031 175.031 175.163 -0.132 17490 2756 1 5 . 1 1 48 48 ILE CA C 338 60.737 60.737 63.190 -2.453 17490 2757 1 5 . 1 1 48 48 ILE CB C 338 38.861 38.861 38.842 0.019 17490 2758 1 5 . 1 1 48 48 ILE H H 338 7.963 7.963 7.330 0.633 17490 2759 1 5 . 1 1 49 49 ASN N N 339 123.991 123.991 122.493 1.498 17490 2760 1 5 . 1 1 49 49 ASN HA H 339 4.691 4.691 4.846 -0.155 17490 2761 1 5 . 1 1 49 49 ASN C C 339 176.381 176.381 175.255 1.126 17490 2762 1 5 . 1 1 49 49 ASN CA C 339 53.296 53.296 51.552 1.744 17490 2763 1 5 . 1 1 49 49 ASN CB C 339 40.570 40.570 40.804 -0.234 17490 2764 1 5 . 1 1 49 49 ASN H H 339 9.222 9.222 8.092 1.130 17490 2765 1 5 . 1 1 50 50 GLU N N 340 125.549 125.549 118.064 7.485 17490 2766 1 5 . 1 1 50 50 GLU HA H 340 3.792 3.792 4.029 -0.237 17490 2767 1 5 . 1 1 50 50 GLU C C 340 177.988 177.988 177.014 0.974 17490 2768 1 5 . 1 1 50 50 GLU CA C 340 59.807 59.807 58.719 1.088 17490 2769 1 5 . 1 1 50 50 GLU CB C 340 29.143 29.143 28.763 0.380 17490 2770 1 5 . 1 1 50 50 GLU H H 340 8.971 8.971 8.756 0.215 17490 2771 1 5 . 1 1 51 51 LYS N N 341 116.019 116.019 116.877 -0.858 17490 2772 1 5 . 1 1 51 51 LYS HA H 341 4.117 4.117 4.360 -0.243 17490 2773 1 5 . 1 1 51 51 LYS C C 341 177.283 177.283 178.167 -0.884 17490 2774 1 5 . 1 1 51 51 LYS CA C 341 57.718 57.718 57.796 -0.078 17490 2775 1 5 . 1 1 51 51 LYS CB C 341 31.650 31.650 33.471 -1.821 17490 2776 1 5 . 1 1 51 51 LYS H H 341 8.424 8.424 7.660 0.764 17490 2777 1 5 . 1 1 52 52 ASP N N 342 117.576 117.576 120.621 -3.045 17490 2778 1 5 . 1 1 52 52 ASP HA H 342 4.444 4.444 4.689 -0.245 17490 2779 1 5 . 1 1 52 52 ASP C C 342 175.454 175.454 175.143 0.311 17490 2780 1 5 . 1 1 52 52 ASP CA C 342 56.002 56.002 56.562 -0.561 17490 2781 1 5 . 1 1 52 52 ASP CB C 342 41.937 41.937 41.799 0.138 17490 2782 1 5 . 1 1 52 52 ASP H H 342 7.908 7.908 9.314 -1.406 17490 2783 1 5 . 1 1 53 53 ILE N N 343 120.515 120.515 117.953 2.562 17490 2784 1 5 . 1 1 53 53 ILE HA H 343 3.875 3.875 4.544 -0.669 17490 2785 1 5 . 1 1 53 53 ILE C C 343 174.966 174.966 174.667 0.299 17490 2786 1 5 . 1 1 53 53 ILE CA C 343 61.101 61.101 58.462 2.639 17490 2787 1 5 . 1 1 53 53 ILE CB C 343 39.931 39.931 40.461 -0.529 17490 2788 1 5 . 1 1 53 53 ILE H H 343 7.480 7.480 7.222 0.258 17490 2789 1 5 . 1 1 54 54 ARG N N 344 125.353 125.353 126.903 -1.550 17490 2790 1 5 . 1 1 54 54 ARG HA H 344 4.291 4.291 4.221 0.070 17490 2791 1 5 . 1 1 54 54 ARG C C 344 176.642 176.642 176.676 -0.034 17490 2792 1 5 . 1 1 54 54 ARG CA C 344 57.550 57.550 57.038 0.512 17490 2793 1 5 . 1 1 54 54 ARG CB C 344 30.848 30.848 30.974 -0.126 17490 2794 1 5 . 1 1 54 54 ARG H H 344 9.063 9.063 8.629 0.434 17490 2795 1 5 . 1 1 55 55 LYS N N 345 116.212 116.212 118.273 -2.061 17490 2796 1 5 . 1 1 55 55 LYS HA H 345 4.417 4.417 4.414 0.003 17490 2797 1 5 . 1 1 55 55 LYS C C 345 173.004 173.004 173.918 -0.914 17490 2798 1 5 . 1 1 55 55 LYS CA C 345 55.873 55.873 55.700 0.173 17490 2799 1 5 . 1 1 55 55 LYS CB C 345 36.582 36.582 35.009 1.573 17490 2800 1 5 . 1 1 55 55 LYS H H 345 7.569 7.569 7.902 -0.333 17490 2801 1 5 . 1 1 56 56 ILE N N 346 122.685 122.685 125.856 -3.171 17490 2802 1 5 . 1 1 56 56 ILE HA H 346 4.731 4.731 4.297 0.434 17490 2803 1 5 . 1 1 56 56 ILE C C 346 174.163 174.163 174.378 -0.215 17490 2804 1 5 . 1 1 56 56 ILE CA C 346 60.843 60.843 59.899 0.944 17490 2805 1 5 . 1 1 56 56 ILE CB C 346 40.816 40.816 38.339 2.478 17490 2806 1 5 . 1 1 56 56 ILE H H 346 8.229 8.229 8.463 -0.234 17490 2807 1 5 . 1 1 57 57 LEU N N 347 126.095 126.095 129.848 -3.753 17490 2808 1 5 . 1 1 57 57 LEU HA H 347 4.775 4.775 4.756 0.019 17490 2809 1 5 . 1 1 57 57 LEU C C 347 175.764 175.764 175.181 0.583 17490 2810 1 5 . 1 1 57 57 LEU CA C 347 52.746 52.746 53.308 -0.562 17490 2811 1 5 . 1 1 57 57 LEU CB C 347 45.364 45.364 43.419 1.945 17490 2812 1 5 . 1 1 57 57 LEU H H 347 9.279 9.279 8.432 0.847 17490 2813 1 5 . 1 1 58 58 LEU N N 348 122.946 122.946 125.214 -2.268 17490 2814 1 5 . 1 1 58 58 LEU HA H 348 4.338 4.338 4.526 -0.188 17490 2815 1 5 . 1 1 58 58 LEU C C 348 176.476 176.476 176.178 0.298 17490 2816 1 5 . 1 1 58 58 LEU CA C 348 55.221 55.221 54.668 0.553 17490 2817 1 5 . 1 1 58 58 LEU CB C 348 41.496 41.496 43.390 -1.894 17490 2818 1 5 . 1 1 58 58 LEU H H 348 8.925 8.925 8.577 0.348 17490 2819 1 5 . 1 1 59 59 VAL N N 349 123.378 123.378 127.224 -3.846 17490 2820 1 5 . 1 1 59 59 VAL HA H 349 4.385 4.385 4.601 -0.216 17490 2821 1 5 . 1 1 59 59 VAL C C 349 176.335 176.335 175.658 0.677 17490 2822 1 5 . 1 1 59 59 VAL CA C 349 59.595 59.595 60.708 -1.113 17490 2823 1 5 . 1 1 59 59 VAL CB C 349 31.100 31.100 31.502 -0.402 17490 2824 1 5 . 1 1 59 59 VAL H H 349 8.637 8.637 9.050 -0.413 17490 2825 1 5 . 1 1 60 60 SER N N 350 124.152 124.152 120.551 3.601 17490 2826 1 5 . 1 1 60 60 SER HA H 350 3.907 3.907 4.631 -0.724 17490 2827 1 5 . 1 1 60 60 SER C C 350 177.518 177.518 174.245 3.273 17490 2828 1 5 . 1 1 60 60 SER CA C 350 62.261 62.261 58.279 3.982 17490 2829 1 5 . 1 1 60 60 SER CB C 350 62.301 62.301 62.942 -0.641 17490 2830 1 5 . 1 1 60 60 SER H H 350 8.755 8.755 9.047 -0.292 17490 2831 1 5 . 1 1 61 61 ASP N N 351 119.224 119.224 118.958 0.266 17490 2832 1 5 . 1 1 61 61 ASP HA H 351 3.964 3.964 4.232 -0.268 17490 2833 1 5 . 1 1 61 61 ASP C C 351 174.721 174.721 174.024 0.697 17490 2834 1 5 . 1 1 61 61 ASP CA C 351 56.162 56.162 53.241 2.921 17490 2835 1 5 . 1 1 61 61 ASP CB C 351 40.102 40.102 40.704 -0.602 17490 2836 1 5 . 1 1 61 61 ASP H H 351 9.011 9.011 8.007 1.004 17490 2837 1 5 . 1 1 62 62 PHE N N 352 110.179 110.179 114.954 -4.775 17490 2838 1 5 . 1 1 62 62 PHE HA H 352 3.983 3.983 4.581 -0.598 17490 2839 1 5 . 1 1 62 62 PHE C C 352 173.268 173.268 173.654 -0.386 17490 2840 1 5 . 1 1 62 62 PHE CA C 352 56.221 56.221 55.446 0.775 17490 2841 1 5 . 1 1 62 62 PHE CB C 352 39.789 39.789 38.411 1.378 17490 2842 1 5 . 1 1 62 62 PHE H H 352 6.702 6.702 7.152 -0.450 17490 2843 1 5 . 1 1 63 63 ASN N N 353 114.980 114.980 119.645 -4.665 17490 2844 1 5 . 1 1 63 63 ASN HA H 353 4.665 4.665 4.522 0.143 17490 2845 1 5 . 1 1 63 63 ASN C C 353 174.360 174.360 175.238 -0.878 17490 2846 1 5 . 1 1 63 63 ASN CA C 353 54.158 54.158 54.173 -0.015 17490 2847 1 5 . 1 1 63 63 ASN CB C 353 37.889 37.889 37.268 0.621 17490 2848 1 5 . 1 1 63 63 ASN H H 353 7.708 7.708 8.342 -0.634 17490 2849 1 5 . 1 1 64 64 GLY N N 354 102.117 102.117 107.062 -4.945 17490 2850 1 5 . 1 1 64 64 GLY C C 354 173.093 173.093 171.619 1.474 17490 2851 1 5 . 1 1 64 64 GLY CA C 354 45.413 45.413 45.982 -0.569 17490 2852 1 5 . 1 1 64 64 GLY H H 354 7.722 7.722 8.633 -0.911 17490 2853 1 5 . 1 1 65 65 ALA N N 355 120.262 120.262 121.975 -1.713 17490 2854 1 5 . 1 1 65 65 ALA HA H 355 5.055 5.055 5.180 -0.125 17490 2855 1 5 . 1 1 65 65 ALA C C 355 174.731 174.731 174.902 -0.171 17490 2856 1 5 . 1 1 65 65 ALA CA C 355 51.429 51.429 50.892 0.537 17490 2857 1 5 . 1 1 65 65 ALA CB C 355 22.924 22.924 21.945 0.979 17490 2858 1 5 . 1 1 65 65 ALA H H 355 8.785 8.785 8.451 0.334 17490 2859 1 5 . 1 1 66 66 ILE N N 356 121.244 121.244 126.660 -5.416 17490 2860 1 5 . 1 1 66 66 ILE HA H 356 4.711 4.711 4.897 -0.186 17490 2861 1 5 . 1 1 66 66 ILE C C 356 174.154 174.154 173.623 0.531 17490 2862 1 5 . 1 1 66 66 ILE CA C 356 60.570 60.570 60.021 0.549 17490 2863 1 5 . 1 1 66 66 ILE CB C 356 41.943 41.943 39.467 2.476 17490 2864 1 5 . 1 1 66 66 ILE H H 356 9.390 9.390 8.321 1.069 17490 2865 1 5 . 1 1 67 67 ILE N N 357 127.255 127.255 127.239 0.016 17490 2866 1 5 . 1 1 67 67 ILE HA H 357 4.433 4.433 4.687 -0.254 17490 2867 1 5 . 1 1 67 67 ILE C C 357 174.004 174.004 174.196 -0.192 17490 2868 1 5 . 1 1 67 67 ILE CA C 357 59.826 59.826 59.296 0.530 17490 2869 1 5 . 1 1 67 67 ILE CB C 357 38.965 38.965 41.999 -3.034 17490 2870 1 5 . 1 1 67 67 ILE H H 357 9.291 9.291 8.570 0.721 17490 2871 1 5 . 1 1 68 68 ILE N N 358 124.623 124.623 123.558 1.065 17490 2872 1 5 . 1 1 68 68 ILE HA H 358 4.293 4.293 4.656 -0.363 17490 2873 1 5 . 1 1 68 68 ILE C C 358 176.052 176.052 176.266 -0.214 17490 2874 1 5 . 1 1 68 68 ILE CA C 358 61.079 61.079 60.616 0.463 17490 2875 1 5 . 1 1 68 68 ILE CB C 358 38.373 38.373 38.408 -0.035 17490 2876 1 5 . 1 1 68 68 ILE H H 358 8.681 8.681 8.556 0.125 17490 2877 1 5 . 1 1 69 69 PHE N N 359 126.100 126.100 126.791 -0.691 17490 2878 1 5 . 1 1 69 69 PHE HA H 359 5.130 5.130 4.350 0.780 17490 2879 1 5 . 1 1 69 69 PHE C C 359 175.355 175.355 177.383 -2.028 17490 2880 1 5 . 1 1 69 69 PHE CA C 359 58.156 58.156 62.217 -4.061 17490 2881 1 5 . 1 1 69 69 PHE CB C 359 41.592 41.592 39.433 2.159 17490 2882 1 5 . 1 1 69 69 PHE H H 359 9.086 9.086 9.057 0.029 17490 2883 1 5 . 1 1 70 70 ARG N N 360 115.935 115.935 114.008 1.927 17490 2884 1 5 . 1 1 70 70 ARG HA H 360 4.068 4.068 4.430 -0.362 17490 2885 1 5 . 1 1 70 70 ARG C C 360 175.099 175.099 174.217 0.882 17490 2886 1 5 . 1 1 70 70 ARG CA C 360 58.594 58.594 56.677 1.917 17490 2887 1 5 . 1 1 70 70 ARG CB C 360 30.664 30.664 32.585 -1.921 17490 2888 1 5 . 1 1 70 70 ARG H H 360 8.268 8.268 8.543 -0.275 17490 2889 1 5 . 1 1 71 71 ASP N N 361 113.892 113.892 117.977 -4.085 17490 2890 1 5 . 1 1 71 71 ASP HA H 361 4.880 4.880 4.886 -0.006 17490 2891 1 5 . 1 1 71 71 ASP C C 361 176.087 176.087 176.213 -0.126 17490 2892 1 5 . 1 1 71 71 ASP CA C 361 53.329 53.329 52.975 0.354 17490 2893 1 5 . 1 1 71 71 ASP CB C 361 44.131 44.131 43.784 0.347 17490 2894 1 5 . 1 1 71 71 ASP H H 361 7.673 7.673 7.827 -0.154 17490 2895 1 5 . 1 1 72 72 SER N N 362 118.590 118.590 120.017 -1.427 17490 2896 1 5 . 1 1 72 72 SER HA H 362 4.310 4.310 4.386 -0.076 17490 2897 1 5 . 1 1 72 72 SER C C 362 176.600 176.600 176.463 0.137 17490 2898 1 5 . 1 1 72 72 SER CA C 362 60.739 60.739 61.006 -0.267 17490 2899 1 5 . 1 1 72 72 SER CB C 362 62.872 62.872 63.364 -0.492 17490 2900 1 5 . 1 1 72 72 SER H H 362 9.103 9.103 8.973 0.130 17490 2901 1 5 . 1 1 73 73 LYS N N 363 125.872 125.872 121.348 4.524 17490 2902 1 5 . 1 1 73 73 LYS HA H 363 4.134 4.134 4.031 0.103 17490 2903 1 5 . 1 1 73 73 LYS C C 363 179.386 179.386 178.467 0.919 17490 2904 1 5 . 1 1 73 73 LYS CA C 363 59.283 59.283 59.345 -0.062 17490 2905 1 5 . 1 1 73 73 LYS CB C 363 31.491 31.491 32.390 -0.899 17490 2906 1 5 . 1 1 73 73 LYS H H 363 8.332 8.332 8.549 -0.217 17490 2907 1 5 . 1 1 74 74 PHE N N 364 123.145 123.145 120.090 3.055 17490 2908 1 5 . 1 1 74 74 PHE HA H 364 3.968 3.968 4.227 -0.259 17490 2909 1 5 . 1 1 74 74 PHE C C 364 177.819 177.819 176.456 1.363 17490 2910 1 5 . 1 1 74 74 PHE CA C 364 61.588 61.588 59.245 2.343 17490 2911 1 5 . 1 1 74 74 PHE CB C 364 39.963 39.963 38.968 0.995 17490 2912 1 5 . 1 1 74 74 PHE H H 364 8.482 8.482 7.699 0.783 17490 2913 1 5 . 1 1 75 75 ALA N N 365 119.451 119.451 121.893 -2.442 17490 2914 1 5 . 1 1 75 75 ALA HA H 365 3.396 3.396 3.397 -0.001 17490 2915 1 5 . 1 1 75 75 ALA C C 365 178.100 178.100 179.146 -1.046 17490 2916 1 5 . 1 1 75 75 ALA CA C 365 55.584 55.584 55.133 0.451 17490 2917 1 5 . 1 1 75 75 ALA CB C 365 18.265 18.265 17.993 0.272 17490 2918 1 5 . 1 1 75 75 ALA H H 365 7.835 7.835 8.028 -0.193 17490 2919 1 5 . 1 1 76 76 ALA N N 366 117.626 117.626 119.950 -2.324 17490 2920 1 5 . 1 1 76 76 ALA HA H 366 4.033 4.033 3.949 0.084 17490 2921 1 5 . 1 1 76 76 ALA C C 366 180.569 180.569 178.856 1.713 17490 2922 1 5 . 1 1 76 76 ALA CA C 366 54.996 54.996 54.733 0.263 17490 2923 1 5 . 1 1 76 76 ALA CB C 366 18.040 18.040 18.386 -0.346 17490 2924 1 5 . 1 1 76 76 ALA H H 366 7.680 7.680 7.601 0.079 17490 2925 1 5 . 1 1 77 77 LYS N N 367 118.273 118.273 119.713 -1.440 17490 2926 1 5 . 1 1 77 77 LYS HA H 367 3.998 3.998 4.044 -0.046 17490 2927 1 5 . 1 1 77 77 LYS C C 367 178.964 178.964 178.525 0.439 17490 2928 1 5 . 1 1 77 77 LYS CA C 367 58.803 58.803 58.932 -0.129 17490 2929 1 5 . 1 1 77 77 LYS CB C 367 32.106 32.106 32.460 -0.354 17490 2930 1 5 . 1 1 77 77 LYS H H 367 7.302 7.302 7.739 -0.437 17490 2931 1 5 . 1 1 78 78 MET N N 368 117.578 117.578 119.268 -1.690 17490 2932 1 5 . 1 1 78 78 MET HA H 368 4.273 4.273 4.081 0.192 17490 2933 1 5 . 1 1 78 78 MET C C 368 178.167 178.167 177.679 0.488 17490 2934 1 5 . 1 1 78 78 MET CA C 368 55.734 55.734 56.828 -1.093 17490 2935 1 5 . 1 1 78 78 MET CB C 368 32.382 32.382 31.622 0.760 17490 2936 1 5 . 1 1 78 78 MET H H 368 7.785 7.785 7.776 0.009 17490 2937 1 5 . 1 1 79 79 LEU N N 369 120.984 120.984 121.523 -0.539 17490 2938 1 5 . 1 1 79 79 LEU HA H 369 3.786 3.786 3.749 0.037 17490 2939 1 5 . 1 1 79 79 LEU C C 369 179.060 179.060 178.948 0.112 17490 2940 1 5 . 1 1 79 79 LEU CA C 369 59.377 59.377 58.314 1.063 17490 2941 1 5 . 1 1 79 79 LEU CB C 369 42.354 42.354 41.856 0.498 17490 2942 1 5 . 1 1 79 79 LEU H H 369 8.197 8.197 7.746 0.451 17490 2943 1 5 . 1 1 80 80 MET N N 370 114.071 114.071 114.347 -0.276 17490 2944 1 5 . 1 1 80 80 MET HA H 370 4.277 4.277 4.207 0.070 17490 2945 1 5 . 1 1 80 80 MET C C 370 178.184 178.184 178.249 -0.065 17490 2946 1 5 . 1 1 80 80 MET CA C 370 57.627 57.627 57.299 0.328 17490 2947 1 5 . 1 1 80 80 MET CB C 370 32.543 32.543 31.928 0.615 17490 2948 1 5 . 1 1 80 80 MET H H 370 7.018 7.018 7.824 -0.806 17490 2949 1 5 . 1 1 81 81 ILE N N 371 118.056 118.056 116.259 1.797 17490 2950 1 5 . 1 1 81 81 ILE HA H 371 3.885 3.885 4.023 -0.138 17490 2951 1 5 . 1 1 81 81 ILE C C 371 177.491 177.491 177.822 -0.331 17490 2952 1 5 . 1 1 81 81 ILE CA C 371 63.571 63.571 61.800 1.771 17490 2953 1 5 . 1 1 81 81 ILE CB C 371 38.716 38.716 37.663 1.053 17490 2954 1 5 . 1 1 81 81 ILE H H 371 7.615 7.615 7.797 -0.182 17490 2955 1 5 . 1 1 82 82 LEU N N 372 116.858 116.858 119.791 -2.933 17490 2956 1 5 . 1 1 82 82 LEU HA H 372 4.100 4.100 4.419 -0.319 17490 2957 1 5 . 1 1 82 82 LEU C C 372 178.360 178.360 176.347 2.013 17490 2958 1 5 . 1 1 82 82 LEU CA C 372 55.929 55.929 55.728 0.201 17490 2959 1 5 . 1 1 82 82 LEU CB C 372 42.309 42.309 43.455 -1.146 17490 2960 1 5 . 1 1 82 82 LEU H H 372 8.160 8.160 8.250 -0.090 17490 2961 1 5 . 1 1 83 83 ASN N N 373 117.015 117.015 116.224 0.791 17490 2962 1 5 . 1 1 83 83 ASN HA H 373 4.348 4.348 4.672 -0.324 17490 2963 1 5 . 1 1 83 83 ASN C C 373 175.671 175.671 174.917 0.754 17490 2964 1 5 . 1 1 83 83 ASN CA C 373 55.793 55.793 54.344 1.449 17490 2965 1 5 . 1 1 83 83 ASN CB C 373 38.434 38.434 38.764 -0.330 17490 2966 1 5 . 1 1 83 83 ASN H H 373 7.058 7.058 7.932 -0.874 17490 2967 1 5 . 1 1 84 84 GLY N N 374 116.878 116.878 111.900 4.978 17490 2968 1 5 . 1 1 84 84 GLY C C 374 174.602 174.602 173.828 0.774 17490 2969 1 5 . 1 1 84 84 GLY CA C 374 45.842 45.842 45.360 0.482 17490 2970 1 5 . 1 1 84 84 GLY H H 374 9.053 9.053 8.189 0.864 17490 2971 1 5 . 1 1 85 85 SER N N 375 116.615 116.615 116.215 0.400 17490 2972 1 5 . 1 1 85 85 SER HA H 375 4.407 4.407 4.842 -0.435 17490 2973 1 5 . 1 1 85 85 SER C C 375 171.580 171.580 173.346 -1.766 17490 2974 1 5 . 1 1 85 85 SER CA C 375 59.280 59.280 56.933 2.347 17490 2975 1 5 . 1 1 85 85 SER CB C 375 64.303 64.303 65.279 -0.976 17490 2976 1 5 . 1 1 85 85 SER H H 375 7.666 7.666 8.311 -0.645 17490 2977 1 5 . 1 1 86 86 GLN N N 376 117.824 117.824 119.848 -2.024 17490 2978 1 5 . 1 1 86 86 GLN HA H 376 4.893 4.893 5.213 -0.320 17490 2979 1 5 . 1 1 86 86 GLN C C 376 175.033 175.033 174.822 0.211 17490 2980 1 5 . 1 1 86 86 GLN CA C 376 54.885 54.885 55.205 -0.320 17490 2981 1 5 . 1 1 86 86 GLN CB C 376 30.733 30.733 31.700 -0.967 17490 2982 1 5 . 1 1 86 86 GLN H H 376 8.381 8.381 8.452 -0.071 17490 2983 1 5 . 1 1 87 87 PHE N N 377 124.095 124.095 122.891 1.204 17490 2984 1 5 . 1 1 87 87 PHE HA H 377 4.472 4.472 4.800 -0.328 17490 2985 1 5 . 1 1 87 87 PHE C C 377 174.760 174.760 175.192 -0.432 17490 2986 1 5 . 1 1 87 87 PHE CA C 377 56.009 56.009 58.122 -2.113 17490 2987 1 5 . 1 1 87 87 PHE CB C 377 41.519 41.519 43.087 -1.568 17490 2988 1 5 . 1 1 87 87 PHE H H 377 8.974 8.974 9.460 -0.486 17490 2989 1 5 . 1 1 88 88 GLN N N 378 126.108 126.108 122.719 3.389 17490 2990 1 5 . 1 1 88 88 GLN HA H 378 3.505 3.505 3.952 -0.447 17490 2991 1 5 . 1 1 88 88 GLN C C 378 176.162 176.162 175.862 0.300 17490 2992 1 5 . 1 1 88 88 GLN CA C 378 56.570 56.570 56.547 0.022 17490 2993 1 5 . 1 1 88 88 GLN CB C 378 26.070 26.070 27.556 -1.486 17490 2994 1 5 . 1 1 88 88 GLN H H 378 9.139 9.139 9.090 0.049 17490 2995 1 5 . 1 1 89 89 GLY N N 379 103.132 103.132 102.875 0.257 17490 2996 1 5 . 1 1 89 89 GLY C C 379 173.587 173.587 173.676 -0.089 17490 2997 1 5 . 1 1 89 89 GLY CA C 379 45.382 45.382 45.080 0.302 17490 2998 1 5 . 1 1 89 89 GLY H H 379 8.580 8.580 8.110 0.470 17490 2999 1 5 . 1 1 90 90 LYS N N 380 119.783 119.783 119.526 0.257 17490 3000 1 5 . 1 1 90 90 LYS HA H 380 4.697 4.697 4.786 -0.089 17490 3001 1 5 . 1 1 90 90 LYS C C 380 174.500 174.500 175.120 -0.620 17490 3002 1 5 . 1 1 90 90 LYS CA C 380 54.019 54.019 54.043 -0.024 17490 3003 1 5 . 1 1 90 90 LYS CB C 380 35.919 35.919 35.783 0.136 17490 3004 1 5 . 1 1 90 90 LYS H H 380 7.457 7.457 7.777 -0.320 17490 3005 1 5 . 1 1 91 91 VAL N N 381 121.517 121.517 122.176 -0.659 17490 3006 1 5 . 1 1 91 91 VAL HA H 381 4.294 4.294 4.673 -0.379 17490 3007 1 5 . 1 1 91 91 VAL C C 381 176.729 176.729 175.267 1.462 17490 3008 1 5 . 1 1 91 91 VAL CA C 381 63.176 63.176 61.779 1.397 17490 3009 1 5 . 1 1 91 91 VAL CB C 381 32.073 32.073 32.362 -0.289 17490 3010 1 5 . 1 1 91 91 VAL H H 381 8.256 8.256 8.479 -0.223 17490 3011 1 5 . 1 1 92 92 ILE N N 382 124.746 124.746 124.581 0.165 17490 3012 1 5 . 1 1 92 92 ILE HA H 382 4.533 4.533 4.668 -0.135 17490 3013 1 5 . 1 1 92 92 ILE C C 382 173.501 173.501 174.106 -0.605 17490 3014 1 5 . 1 1 92 92 ILE CA C 382 59.249 59.249 59.165 0.084 17490 3015 1 5 . 1 1 92 92 ILE CB C 382 41.995 41.995 38.392 3.603 17490 3016 1 5 . 1 1 92 92 ILE H H 382 8.788 8.788 8.140 0.648 17490 3017 1 5 . 1 1 93 93 ARG N N 383 119.723 119.723 124.169 -4.446 17490 3018 1 5 . 1 1 93 93 ARG HA H 383 4.608 4.608 4.776 -0.168 17490 3019 1 5 . 1 1 93 93 ARG C C 383 173.979 173.979 174.094 -0.115 17490 3020 1 5 . 1 1 93 93 ARG CA C 383 53.178 53.178 54.322 -1.144 17490 3021 1 5 . 1 1 93 93 ARG CB C 383 31.724 31.724 33.505 -1.781 17490 3022 1 5 . 1 1 93 93 ARG H H 383 8.500 8.500 8.565 -0.065 17490 3023 1 5 . 1 1 94 94 SER N N 384 110.386 110.386 114.689 -4.303 17490 3024 1 5 . 1 1 94 94 SER HA H 384 5.685 5.685 4.746 0.939 17490 3025 1 5 . 1 1 94 94 SER C C 384 174.791 174.791 173.647 1.144 17490 3026 1 5 . 1 1 94 94 SER CA C 384 54.419 54.419 56.351 -1.932 17490 3027 1 5 . 1 1 94 94 SER CB C 384 67.147 67.147 65.200 1.947 17490 3028 1 5 . 1 1 94 94 SER H H 384 7.700 7.700 8.342 -0.642 17490 3029 1 5 . 1 1 95 95 GLY N N 385 106.738 106.738 108.096 -1.358 17490 3030 1 5 . 1 1 95 95 GLY C C 385 171.619 171.619 172.869 -1.250 17490 3031 1 5 . 1 1 95 95 GLY CA C 385 45.904 45.904 45.846 0.058 17490 3032 1 5 . 1 1 95 95 GLY H H 385 8.360 8.360 8.132 0.228 17490 3033 1 5 . 1 1 96 96 THR N N 386 111.493 111.493 112.591 -1.098 17490 3034 1 5 . 1 1 96 96 THR HA H 386 4.604 4.604 4.884 -0.280 17490 3035 1 5 . 1 1 96 96 THR C C 386 175.600 175.600 176.027 -0.427 17490 3036 1 5 . 1 1 96 96 THR CA C 386 60.901 60.901 60.550 0.351 17490 3037 1 5 . 1 1 96 96 THR CB C 386 71.709 71.709 71.538 0.171 17490 3038 1 5 . 1 1 96 96 THR H H 386 9.274 9.274 9.282 -0.008 17490 3039 1 5 . 1 1 97 97 ILE N N 387 121.293 121.293 117.764 3.529 17490 3040 1 5 . 1 1 97 97 ILE HA H 387 3.881 3.881 3.995 -0.114 17490 3041 1 5 . 1 1 97 97 ILE C C 387 178.109 178.109 177.307 0.802 17490 3042 1 5 . 1 1 97 97 ILE CA C 387 65.826 65.826 63.191 2.635 17490 3043 1 5 . 1 1 97 97 ILE CB C 387 37.717 37.717 36.889 0.827 17490 3044 1 5 . 1 1 97 97 ILE H H 387 9.339 9.339 8.325 1.014 17490 3045 1 5 . 1 1 98 98 ASN N N 388 117.358 117.358 119.382 -2.024 17490 3046 1 5 . 1 1 98 98 ASN HA H 388 4.224 4.224 4.414 -0.190 17490 3047 1 5 . 1 1 98 98 ASN C C 388 178.040 178.040 176.522 1.518 17490 3048 1 5 . 1 1 98 98 ASN CA C 388 56.205 56.205 56.660 -0.455 17490 3049 1 5 . 1 1 98 98 ASN CB C 388 37.719 37.719 38.594 -0.875 17490 3050 1 5 . 1 1 98 98 ASN H H 388 8.162 8.162 8.243 -0.081 17490 3051 1 5 . 1 1 99 99 ASP N N 389 121.336 121.336 120.041 1.295 17490 3052 1 5 . 1 1 99 99 ASP HA H 389 4.236 4.236 4.451 -0.215 17490 3053 1 5 . 1 1 99 99 ASP C C 389 177.813 177.813 178.091 -0.278 17490 3054 1 5 . 1 1 99 99 ASP CA C 389 57.639 57.639 57.122 0.517 17490 3055 1 5 . 1 1 99 99 ASP CB C 389 40.497 40.497 40.808 -0.311 17490 3056 1 5 . 1 1 99 99 ASP H H 389 7.865 7.865 8.133 -0.268 17490 3057 1 5 . 1 1 100 100 MET N N 390 122.932 122.932 117.307 5.625 17490 3058 1 5 . 1 1 100 100 MET HA H 390 4.499 4.499 4.116 0.383 17490 3059 1 5 . 1 1 100 100 MET C C 390 178.081 178.081 177.986 0.095 17490 3060 1 5 . 1 1 100 100 MET CA C 390 58.402 58.402 58.774 -0.372 17490 3061 1 5 . 1 1 100 100 MET CB C 390 32.263 32.263 32.922 -0.659 17490 3062 1 5 . 1 1 100 100 MET H H 390 7.874 7.874 7.513 0.361 17490 3063 1 5 . 1 1 101 101 LYS N N 391 118.764 118.764 120.350 -1.586 17490 3064 1 5 . 1 1 101 101 LYS HA H 391 3.484 3.484 4.413 -0.929 17490 3065 1 5 . 1 1 101 101 LYS C C 391 178.102 178.102 179.481 -1.379 17490 3066 1 5 . 1 1 101 101 LYS CA C 391 60.070 60.070 59.321 0.749 17490 3067 1 5 . 1 1 101 101 LYS CB C 391 32.468 32.468 32.066 0.402 17490 3068 1 5 . 1 1 101 101 LYS H H 391 7.994 7.994 7.991 0.003 17490 3069 1 5 . 1 1 102 102 ARG N N 392 118.974 118.974 120.431 -1.457 17490 3070 1 5 . 1 1 102 102 ARG HA H 392 3.971 3.971 4.125 -0.154 17490 3071 1 5 . 1 1 102 102 ARG C C 392 178.433 178.433 178.834 -0.401 17490 3072 1 5 . 1 1 102 102 ARG CA C 392 59.485 59.485 58.619 0.866 17490 3073 1 5 . 1 1 102 102 ARG CB C 392 30.282 30.282 29.702 0.580 17490 3074 1 5 . 1 1 102 102 ARG H H 392 8.088 8.088 8.238 -0.150 17490 3075 1 5 . 1 1 103 103 TYR N N 393 119.904 119.904 119.665 0.239 17490 3076 1 5 . 1 1 103 103 TYR HA H 393 4.017 4.017 4.120 -0.103 17490 3077 1 5 . 1 1 103 103 TYR C C 393 177.819 177.819 178.120 -0.301 17490 3078 1 5 . 1 1 103 103 TYR CA C 393 61.926 61.926 61.061 0.865 17490 3079 1 5 . 1 1 103 103 TYR CB C 393 39.373 39.373 37.777 1.596 17490 3080 1 5 . 1 1 103 103 TYR H H 393 8.058 8.058 8.147 -0.089 17490 3081 1 5 . 1 1 104 104 TYR N N 394 119.418 119.418 119.915 -0.497 17490 3082 1 5 . 1 1 104 104 TYR HA H 394 4.167 4.167 4.026 0.141 17490 3083 1 5 . 1 1 104 104 TYR C C 394 177.920 177.920 177.304 0.616 17490 3084 1 5 . 1 1 104 104 TYR CA C 394 61.764 61.764 60.462 1.302 17490 3085 1 5 . 1 1 104 104 TYR CB C 394 39.162 39.162 38.148 1.014 17490 3086 1 5 . 1 1 104 104 TYR H H 394 7.846 7.846 8.326 -0.480 17490 3087 1 5 . 1 1 105 105 ASN N N 395 117.373 117.373 118.201 -0.828 17490 3088 1 5 . 1 1 105 105 ASN HA H 395 4.414 4.414 3.938 0.476 17490 3089 1 5 . 1 1 105 105 ASN C C 395 176.906 176.906 177.289 -0.383 17490 3090 1 5 . 1 1 105 105 ASN CA C 395 55.691 55.691 56.588 -0.897 17490 3091 1 5 . 1 1 105 105 ASN CB C 395 38.472 38.472 38.005 0.467 17490 3092 1 5 . 1 1 105 105 ASN H H 395 8.499 8.499 8.056 0.443 17490 3093 1 5 . 1 1 106 106 ASN N N 396 118.101 118.101 117.671 0.430 17490 3094 1 5 . 1 1 106 106 ASN HA H 396 4.531 4.531 4.470 0.061 17490 3095 1 5 . 1 1 106 106 ASN C C 396 176.450 176.450 177.524 -1.074 17490 3096 1 5 . 1 1 106 106 ASN CA C 396 54.775 54.775 55.523 -0.747 17490 3097 1 5 . 1 1 106 106 ASN CB C 396 38.543 38.543 38.520 0.023 17490 3098 1 5 . 1 1 106 106 ASN H H 396 8.081 8.081 8.031 0.050 17490 3099 1 5 . 1 1 107 107 GLN N N 397 118.903 118.903 118.789 0.114 17490 3100 1 5 . 1 1 107 107 GLN HA H 397 3.977 3.977 4.147 -0.170 17490 3101 1 5 . 1 1 107 107 GLN C C 397 176.907 176.907 177.797 -0.890 17490 3102 1 5 . 1 1 107 107 GLN CA C 397 56.815 56.815 58.022 -1.207 17490 3103 1 5 . 1 1 107 107 GLN CB C 397 28.610 28.610 28.499 0.111 17490 3104 1 5 . 1 1 107 107 GLN H H 397 7.772 7.772 7.732 0.040 17490 3105 1 5 . 1 1 108 108 GLN N N 398 118.101 118.101 116.651 1.450 17490 3106 1 5 . 1 1 108 108 GLN HA H 398 3.920 3.920 4.128 -0.208 17490 3107 1 5 . 1 1 108 108 GLN C C 398 176.321 176.321 176.120 0.201 17490 3108 1 5 . 1 1 108 108 GLN CA C 398 56.554 56.554 56.844 -0.290 17490 3109 1 5 . 1 1 108 108 GLN CB C 398 28.650 28.650 29.293 -0.643 17490 3110 1 5 . 1 1 108 108 GLN H H 398 7.854 7.854 7.974 -0.120 17490 3111 1 6 . 1 1 3 3 LEU N N 293 125.082 125.082 117.112 7.970 17490 3112 1 6 . 1 1 3 3 LEU HA H 293 4.292 4.292 4.826 -0.534 17490 3113 1 6 . 1 1 3 3 LEU C C 293 177.442 177.442 177.143 0.299 17490 3114 1 6 . 1 1 3 3 LEU CA C 293 55.523 55.523 54.518 1.005 17490 3115 1 6 . 1 1 3 3 LEU CB C 293 42.516 42.516 41.874 0.642 17490 3116 1 6 . 1 1 3 3 LEU H H 293 8.321 8.321 7.741 0.580 17490 3117 1 6 . 1 1 4 4 GLU N N 294 122.906 122.906 123.118 -0.212 17490 3118 1 6 . 1 1 4 4 GLU HA H 294 4.069 4.069 4.036 0.033 17490 3119 1 6 . 1 1 4 4 GLU C C 294 177.158 177.158 178.796 -1.638 17490 3120 1 6 . 1 1 4 4 GLU CA C 294 58.307 58.307 59.669 -1.362 17490 3121 1 6 . 1 1 4 4 GLU CB C 294 29.676 29.676 28.796 0.880 17490 3122 1 6 . 1 1 4 4 GLU H H 294 8.521 8.521 8.733 -0.212 17490 3123 1 6 . 1 1 5 5 ARG N N 295 120.270 120.270 117.967 2.303 17490 3124 1 6 . 1 1 5 5 ARG HA H 295 4.131 4.131 4.008 0.123 17490 3125 1 6 . 1 1 5 5 ARG C C 295 177.768 177.768 178.633 -0.865 17490 3126 1 6 . 1 1 5 5 ARG CA C 295 58.082 58.082 59.795 -1.713 17490 3127 1 6 . 1 1 5 5 ARG CB C 295 30.192 30.192 29.873 0.319 17490 3128 1 6 . 1 1 5 5 ARG H H 295 8.327 8.327 8.550 -0.223 17490 3129 1 6 . 1 1 6 6 ASN N N 296 118.639 118.639 118.088 0.551 17490 3130 1 6 . 1 1 6 6 ASN HA H 296 4.554 4.554 4.565 -0.011 17490 3131 1 6 . 1 1 6 6 ASN C C 296 176.830 176.830 177.382 -0.552 17490 3132 1 6 . 1 1 6 6 ASN CA C 296 54.901 54.901 55.988 -1.087 17490 3133 1 6 . 1 1 6 6 ASN CB C 296 38.115 38.115 38.235 -0.120 17490 3134 1 6 . 1 1 6 6 ASN H H 296 8.257 8.257 7.816 0.441 17490 3135 1 6 . 1 1 7 7 GLU N N 297 123.935 123.935 121.302 2.633 17490 3136 1 6 . 1 1 7 7 GLU HA H 297 4.266 4.266 4.104 0.162 17490 3137 1 6 . 1 1 7 7 GLU C C 297 178.102 178.102 179.050 -0.948 17490 3138 1 6 . 1 1 7 7 GLU CA C 297 58.897 58.897 59.409 -0.512 17490 3139 1 6 . 1 1 7 7 GLU CB C 297 29.814 29.814 29.559 0.255 17490 3140 1 6 . 1 1 7 7 GLU H H 297 8.185 8.185 7.527 0.658 17490 3141 1 6 . 1 1 8 8 VAL N N 298 118.916 118.916 120.527 -1.611 17490 3142 1 6 . 1 1 8 8 VAL HA H 298 3.399 3.399 3.496 -0.097 17490 3143 1 6 . 1 1 8 8 VAL C C 298 177.131 177.131 177.574 -0.443 17490 3144 1 6 . 1 1 8 8 VAL CA C 298 67.619 67.619 66.942 0.677 17490 3145 1 6 . 1 1 8 8 VAL CB C 298 32.041 32.041 31.407 0.635 17490 3146 1 6 . 1 1 8 8 VAL H H 298 8.095 8.095 8.558 -0.463 17490 3147 1 6 . 1 1 9 9 LYS N N 299 117.791 117.791 119.502 -1.711 17490 3148 1 6 . 1 1 9 9 LYS HA H 299 3.804 3.804 3.881 -0.077 17490 3149 1 6 . 1 1 9 9 LYS C C 299 179.259 179.259 178.904 0.355 17490 3150 1 6 . 1 1 9 9 LYS CA C 299 59.806 59.806 59.821 -0.015 17490 3151 1 6 . 1 1 9 9 LYS CB C 299 32.290 32.290 32.255 0.035 17490 3152 1 6 . 1 1 9 9 LYS H H 299 7.771 7.771 7.733 0.038 17490 3153 1 6 . 1 1 10 10 ARG N N 300 119.032 119.032 118.654 0.378 17490 3154 1 6 . 1 1 10 10 ARG HA H 300 3.934 3.934 4.115 -0.181 17490 3155 1 6 . 1 1 10 10 ARG C C 300 179.680 179.680 179.159 0.521 17490 3156 1 6 . 1 1 10 10 ARG CA C 300 59.444 59.444 58.526 0.918 17490 3157 1 6 . 1 1 10 10 ARG CB C 300 30.190 30.190 29.922 0.268 17490 3158 1 6 . 1 1 10 10 ARG H H 300 7.834 7.834 7.850 -0.016 17490 3159 1 6 . 1 1 11 11 LEU N N 301 120.881 120.881 118.873 2.008 17490 3160 1 6 . 1 1 11 11 LEU HA H 301 3.890 3.890 4.122 -0.232 17490 3161 1 6 . 1 1 11 11 LEU C C 301 178.937 178.937 177.713 1.224 17490 3162 1 6 . 1 1 11 11 LEU CA C 301 58.067 58.067 56.772 1.295 17490 3163 1 6 . 1 1 11 11 LEU CB C 301 42.051 42.051 42.232 -0.181 17490 3164 1 6 . 1 1 11 11 LEU H H 301 8.147 8.147 8.007 0.140 17490 3165 1 6 . 1 1 12 12 LEU N N 302 116.294 116.294 118.132 -1.838 17490 3166 1 6 . 1 1 12 12 LEU HA H 302 3.874 3.874 4.102 -0.228 17490 3167 1 6 . 1 1 12 12 LEU C C 302 177.360 177.360 177.877 -0.517 17490 3168 1 6 . 1 1 12 12 LEU CA C 302 57.498 57.498 56.328 1.170 17490 3169 1 6 . 1 1 12 12 LEU CB C 302 41.506 41.506 42.830 -1.324 17490 3170 1 6 . 1 1 12 12 LEU H H 302 8.331 8.331 7.802 0.529 17490 3171 1 6 . 1 1 13 13 ALA N N 303 117.998 117.998 119.491 -1.493 17490 3172 1 6 . 1 1 13 13 ALA HA H 303 4.480 4.480 4.239 0.241 17490 3173 1 6 . 1 1 13 13 ALA C C 303 177.554 177.554 177.699 -0.145 17490 3174 1 6 . 1 1 13 13 ALA CA C 303 51.290 51.290 52.549 -1.259 17490 3175 1 6 . 1 1 13 13 ALA CB C 303 19.810 19.810 19.203 0.607 17490 3176 1 6 . 1 1 13 13 ALA H H 303 7.109 7.109 7.580 -0.471 17490 3177 1 6 . 1 1 14 14 SER N N 304 114.833 114.833 114.154 0.679 17490 3178 1 6 . 1 1 14 14 SER HA H 304 4.175 4.175 4.191 -0.016 17490 3179 1 6 . 1 1 14 14 SER C C 304 175.762 175.762 175.091 0.671 17490 3180 1 6 . 1 1 14 14 SER CA C 304 59.344 59.344 58.829 0.515 17490 3181 1 6 . 1 1 14 14 SER CB C 304 63.704 63.704 63.626 0.078 17490 3182 1 6 . 1 1 14 14 SER H H 304 7.265 7.265 7.689 -0.424 17490 3183 1 6 . 1 1 15 15 ARG N N 305 125.370 125.370 125.357 0.013 17490 3184 1 6 . 1 1 15 15 ARG HA H 305 4.555 4.555 4.260 0.295 17490 3185 1 6 . 1 1 15 15 ARG C C 305 175.442 175.442 176.567 -1.125 17490 3186 1 6 . 1 1 15 15 ARG CA C 305 54.847 54.847 56.447 -1.600 17490 3187 1 6 . 1 1 15 15 ARG CB C 305 30.415 30.415 30.525 -0.110 17490 3188 1 6 . 1 1 15 15 ARG H H 305 8.872 8.872 8.542 0.330 17490 3189 1 6 . 1 1 16 16 ASN N N 306 120.536 120.536 120.074 0.462 17490 3190 1 6 . 1 1 16 16 ASN HA H 306 4.774 4.774 4.636 0.138 17490 3191 1 6 . 1 1 16 16 ASN C C 306 175.146 175.146 176.464 -1.318 17490 3192 1 6 . 1 1 16 16 ASN CA C 306 52.434 52.434 53.330 -0.896 17490 3193 1 6 . 1 1 16 16 ASN CB C 306 38.294 38.294 38.091 0.203 17490 3194 1 6 . 1 1 16 16 ASN H H 306 8.367 8.367 7.828 0.539 17490 3195 1 6 . 1 1 17 17 SER N N 307 121.694 121.694 122.885 -1.191 17490 3196 1 6 . 1 1 17 17 SER HA H 307 4.090 4.090 4.366 -0.276 17490 3197 1 6 . 1 1 17 17 SER C C 307 175.970 175.970 174.952 1.018 17490 3198 1 6 . 1 1 17 17 SER CA C 307 61.484 61.484 60.218 1.266 17490 3199 1 6 . 1 1 17 17 SER CB C 307 62.850 62.850 62.963 -0.113 17490 3200 1 6 . 1 1 17 17 SER H H 307 8.656 8.656 8.586 0.070 17490 3201 1 6 . 1 1 18 18 LYS N N 308 120.961 120.961 121.676 -0.715 17490 3202 1 6 . 1 1 18 18 LYS HA H 308 4.115 4.115 4.153 -0.038 17490 3203 1 6 . 1 1 18 18 LYS C C 308 178.999 178.999 177.848 1.151 17490 3204 1 6 . 1 1 18 18 LYS CA C 308 58.606 58.606 58.699 -0.093 17490 3205 1 6 . 1 1 18 18 LYS CB C 308 31.614 31.614 32.634 -1.020 17490 3206 1 6 . 1 1 18 18 LYS H H 308 8.060 8.060 7.784 0.276 17490 3207 1 6 . 1 1 19 19 GLU N N 309 118.377 118.377 119.706 -1.329 17490 3208 1 6 . 1 1 19 19 GLU HA H 309 4.198 4.198 4.112 0.086 17490 3209 1 6 . 1 1 19 19 GLU C C 309 178.136 178.136 178.097 0.039 17490 3210 1 6 . 1 1 19 19 GLU CA C 309 57.939 57.939 58.995 -1.056 17490 3211 1 6 . 1 1 19 19 GLU CB C 309 30.115 30.115 29.745 0.370 17490 3212 1 6 . 1 1 19 19 GLU H H 309 7.520 7.520 7.548 -0.028 17490 3213 1 6 . 1 1 20 20 LEU N N 310 118.101 118.101 118.277 -0.176 17490 3214 1 6 . 1 1 20 20 LEU HA H 310 4.168 4.168 4.110 0.058 17490 3215 1 6 . 1 1 20 20 LEU C C 310 179.112 179.112 177.844 1.268 17490 3216 1 6 . 1 1 20 20 LEU CA C 310 56.583 56.583 56.722 -0.139 17490 3217 1 6 . 1 1 20 20 LEU CB C 310 41.611 41.611 41.261 0.350 17490 3218 1 6 . 1 1 20 20 LEU H H 310 7.741 7.741 7.499 0.242 17490 3219 1 6 . 1 1 21 21 GLU N N 311 116.130 116.130 117.301 -1.171 17490 3220 1 6 . 1 1 21 21 GLU HA H 311 4.342 4.342 4.333 0.009 17490 3221 1 6 . 1 1 21 21 GLU C C 311 176.928 176.928 178.611 -1.683 17490 3222 1 6 . 1 1 21 21 GLU CA C 311 58.216 58.216 58.070 0.146 17490 3223 1 6 . 1 1 21 21 GLU CB C 311 29.608 29.608 30.018 -0.410 17490 3224 1 6 . 1 1 21 21 GLU H H 311 7.747 7.747 7.684 0.063 17490 3225 1 6 . 1 1 22 22 THR N N 312 106.131 106.131 117.237 -11.106 17490 3226 1 6 . 1 1 22 22 THR HA H 312 4.182 4.182 4.254 -0.072 17490 3227 1 6 . 1 1 22 22 THR C C 312 172.032 172.032 173.492 -1.460 17490 3228 1 6 . 1 1 22 22 THR CA C 312 61.539 61.539 63.514 -1.974 17490 3229 1 6 . 1 1 22 22 THR CB C 312 69.426 69.426 67.230 2.196 17490 3230 1 6 . 1 1 22 22 THR H H 312 7.446 7.446 8.013 -0.567 17490 3231 1 6 . 1 1 23 23 LEU N N 313 120.178 120.178 115.421 4.757 17490 3232 1 6 . 1 1 23 23 LEU HA H 313 5.869 5.869 5.406 0.463 17490 3233 1 6 . 1 1 23 23 LEU C C 313 175.604 175.604 174.085 1.519 17490 3234 1 6 . 1 1 23 23 LEU CA C 313 52.838 52.838 54.282 -1.444 17490 3235 1 6 . 1 1 23 23 LEU CB C 313 46.851 46.851 45.700 1.151 17490 3236 1 6 . 1 1 23 23 LEU H H 313 7.538 7.538 7.612 -0.074 17490 3237 1 6 . 1 1 24 24 ILE N N 314 113.990 113.990 112.315 1.675 17490 3238 1 6 . 1 1 24 24 ILE HA H 314 4.717 4.717 4.737 -0.020 17490 3239 1 6 . 1 1 24 24 ILE C C 314 173.530 173.530 173.449 0.081 17490 3240 1 6 . 1 1 24 24 ILE CA C 314 59.368 59.368 59.252 0.116 17490 3241 1 6 . 1 1 24 24 ILE CB C 314 42.319 42.319 42.192 0.127 17490 3242 1 6 . 1 1 24 24 ILE H H 314 8.904 8.904 8.514 0.390 17490 3243 1 6 . 1 1 25 25 CYS N N 315 117.755 117.755 119.056 -1.301 17490 3244 1 6 . 1 1 25 25 CYS HA H 315 5.914 5.914 5.380 0.534 17490 3245 1 6 . 1 1 25 25 CYS C C 315 174.153 174.153 174.346 -0.193 17490 3246 1 6 . 1 1 25 25 CYS CA C 315 57.187 57.187 55.492 1.695 17490 3247 1 6 . 1 1 25 25 CYS CB C 315 31.754 31.754 28.093 3.661 17490 3248 1 6 . 1 1 25 25 CYS H H 315 9.021 9.021 8.955 0.066 17490 3249 1 6 . 1 1 26 26 LEU N N 316 119.952 119.952 127.047 -7.095 17490 3250 1 6 . 1 1 26 26 LEU HA H 316 5.363 5.363 5.083 0.280 17490 3251 1 6 . 1 1 26 26 LEU C C 316 176.015 176.015 175.850 0.165 17490 3252 1 6 . 1 1 26 26 LEU CA C 316 53.072 53.072 55.044 -1.972 17490 3253 1 6 . 1 1 26 26 LEU CB C 316 45.891 45.891 43.277 2.614 17490 3254 1 6 . 1 1 26 26 LEU H H 316 8.778 8.778 9.025 -0.247 17490 3255 1 6 . 1 1 27 27 PHE N N 317 116.116 116.116 125.904 -9.788 17490 3256 1 6 . 1 1 27 27 PHE HA H 317 4.158 4.158 5.411 -1.253 17490 3257 1 6 . 1 1 27 27 PHE CA C 317 55.594 55.594 54.159 1.435 17490 3258 1 6 . 1 1 27 27 PHE CB C 317 37.765 37.765 40.497 -2.732 17490 3259 1 6 . 1 1 27 27 PHE H H 317 7.827 7.827 8.831 -1.004 17490 3260 1 6 . 1 1 28 28 PRO HA H 318 5.322 5.322 4.686 0.636 17490 3261 1 6 . 1 1 28 28 PRO C C 318 175.163 175.163 174.969 0.194 17490 3262 1 6 . 1 1 28 28 PRO CA C 318 61.657 61.657 62.306 -0.649 17490 3263 1 6 . 1 1 28 28 PRO CB C 318 34.356 34.356 31.073 3.283 17490 3264 1 6 . 1 1 29 29 LEU N N 319 120.206 120.206 117.491 2.715 17490 3265 1 6 . 1 1 29 29 LEU HA H 319 4.674 4.674 4.548 0.126 17490 3266 1 6 . 1 1 29 29 LEU C C 319 176.806 176.806 175.861 0.945 17490 3267 1 6 . 1 1 29 29 LEU CA C 319 52.817 52.817 53.815 -0.998 17490 3268 1 6 . 1 1 29 29 LEU CB C 319 45.029 45.029 43.759 1.270 17490 3269 1 6 . 1 1 29 29 LEU H H 319 8.365 8.365 7.271 1.094 17490 3270 1 6 . 1 1 30 30 SER N N 320 117.220 117.220 116.388 0.832 17490 3271 1 6 . 1 1 30 30 SER HA H 320 4.475 4.475 4.410 0.065 17490 3272 1 6 . 1 1 30 30 SER C C 320 174.677 174.677 174.946 -0.269 17490 3273 1 6 . 1 1 30 30 SER CA C 320 57.768 57.768 57.414 0.354 17490 3274 1 6 . 1 1 30 30 SER CB C 320 64.118 64.118 63.744 0.374 17490 3275 1 6 . 1 1 30 30 SER H H 320 8.652 8.652 8.350 0.302 17490 3276 1 6 . 1 1 31 31 ASP N N 321 121.514 121.514 119.708 1.806 17490 3277 1 6 . 1 1 31 31 ASP HA H 321 4.471 4.471 4.559 -0.088 17490 3278 1 6 . 1 1 31 31 ASP C C 321 176.811 176.811 176.442 0.369 17490 3279 1 6 . 1 1 31 31 ASP CA C 321 55.388 55.388 54.967 0.421 17490 3280 1 6 . 1 1 31 31 ASP CB C 321 40.060 40.060 40.948 -0.888 17490 3281 1 6 . 1 1 31 31 ASP H H 321 8.587 8.587 8.579 0.008 17490 3282 1 6 . 1 1 32 32 LYS N N 322 117.990 117.990 119.516 -1.526 17490 3283 1 6 . 1 1 32 32 LYS HA H 322 4.331 4.331 4.427 -0.096 17490 3284 1 6 . 1 1 32 32 LYS C C 322 176.804 176.804 175.434 1.370 17490 3285 1 6 . 1 1 32 32 LYS CA C 322 55.545 55.545 55.718 -0.173 17490 3286 1 6 . 1 1 32 32 LYS CB C 322 31.942 31.942 32.937 -0.995 17490 3287 1 6 . 1 1 32 32 LYS H H 322 8.053 8.053 8.164 -0.111 17490 3288 1 6 . 1 1 33 33 VAL N N 323 119.570 119.570 116.479 3.091 17490 3289 1 6 . 1 1 33 33 VAL HA H 323 3.922 3.922 4.455 -0.533 17490 3290 1 6 . 1 1 33 33 VAL C C 323 173.362 173.362 175.476 -2.114 17490 3291 1 6 . 1 1 33 33 VAL CA C 323 63.294 63.294 60.650 2.644 17490 3292 1 6 . 1 1 33 33 VAL CB C 323 32.410 32.410 33.059 -0.649 17490 3293 1 6 . 1 1 33 33 VAL H H 323 7.333 7.333 7.655 -0.322 17490 3294 1 6 . 1 1 34 34 SER N N 324 118.908 118.908 115.530 3.378 17490 3295 1 6 . 1 1 34 34 SER HA H 324 5.104 5.104 4.824 0.280 17490 3296 1 6 . 1 1 34 34 SER CA C 324 55.114 55.114 55.996 -0.882 17490 3297 1 6 . 1 1 34 34 SER CB C 324 64.522 64.522 65.258 -0.736 17490 3298 1 6 . 1 1 34 34 SER H H 324 7.099 7.099 8.173 -1.074 17490 3299 1 6 . 1 1 35 35 PRO HA H 325 4.038 4.038 4.113 -0.075 17490 3300 1 6 . 1 1 35 35 PRO C C 325 178.107 178.107 178.438 -0.331 17490 3301 1 6 . 1 1 35 35 PRO CA C 325 66.275 66.275 65.338 0.937 17490 3302 1 6 . 1 1 35 35 PRO CB C 325 31.873 31.873 31.752 0.121 17490 3303 1 6 . 1 1 36 36 SER N N 326 111.480 111.480 114.635 -3.155 17490 3304 1 6 . 1 1 36 36 SER HA H 326 4.179 4.179 4.264 -0.085 17490 3305 1 6 . 1 1 36 36 SER C C 326 176.897 176.897 176.890 0.007 17490 3306 1 6 . 1 1 36 36 SER CA C 326 61.731 61.731 60.919 0.812 17490 3307 1 6 . 1 1 36 36 SER CB C 326 62.211 62.211 62.463 -0.252 17490 3308 1 6 . 1 1 36 36 SER H H 326 8.172 8.172 8.331 -0.159 17490 3309 1 6 . 1 1 37 37 LEU N N 327 123.898 123.898 121.436 2.462 17490 3310 1 6 . 1 1 37 37 LEU HA H 327 4.311 4.311 4.070 0.241 17490 3311 1 6 . 1 1 37 37 LEU C C 327 180.292 180.292 178.986 1.306 17490 3312 1 6 . 1 1 37 37 LEU CA C 327 57.921 57.921 57.442 0.479 17490 3313 1 6 . 1 1 37 37 LEU CB C 327 42.694 42.694 41.360 1.334 17490 3314 1 6 . 1 1 37 37 LEU H H 327 7.751 7.751 8.279 -0.528 17490 3315 1 6 . 1 1 38 38 ILE N N 328 119.411 119.411 119.853 -0.442 17490 3316 1 6 . 1 1 38 38 ILE HA H 328 3.627 3.627 3.719 -0.092 17490 3317 1 6 . 1 1 38 38 ILE C C 328 176.884 176.884 178.059 -1.175 17490 3318 1 6 . 1 1 38 38 ILE CA C 328 65.153 65.153 66.007 -0.854 17490 3319 1 6 . 1 1 38 38 ILE CB C 328 37.446 37.446 37.939 -0.493 17490 3320 1 6 . 1 1 38 38 ILE H H 328 7.636 7.636 7.494 0.142 17490 3321 1 6 . 1 1 39 39 CYS N N 329 120.430 120.430 117.575 2.855 17490 3322 1 6 . 1 1 39 39 CYS HA H 329 3.743 3.743 3.935 -0.192 17490 3323 1 6 . 1 1 39 39 CYS C C 329 176.205 176.205 177.166 -0.961 17490 3324 1 6 . 1 1 39 39 CYS CA C 329 63.564 63.564 63.059 0.505 17490 3325 1 6 . 1 1 39 39 CYS CB C 329 26.285 26.285 26.893 -0.608 17490 3326 1 6 . 1 1 39 39 CYS H H 329 8.640 8.640 7.606 1.034 17490 3327 1 6 . 1 1 40 40 GLN N N 330 118.263 118.263 119.408 -1.145 17490 3328 1 6 . 1 1 40 40 GLN HA H 330 4.099 4.099 4.017 0.082 17490 3329 1 6 . 1 1 40 40 GLN C C 330 177.445 177.445 178.677 -1.232 17490 3330 1 6 . 1 1 40 40 GLN CA C 330 59.496 59.496 58.347 1.149 17490 3331 1 6 . 1 1 40 40 GLN CB C 330 28.469 28.469 27.956 0.513 17490 3332 1 6 . 1 1 40 40 GLN H H 330 8.213 8.213 8.064 0.149 17490 3333 1 6 . 1 1 41 41 PHE N N 331 121.411 121.411 120.016 1.395 17490 3334 1 6 . 1 1 41 41 PHE HA H 331 4.661 4.661 4.440 0.221 17490 3335 1 6 . 1 1 41 41 PHE C C 331 177.475 177.475 177.133 0.342 17490 3336 1 6 . 1 1 41 41 PHE CA C 331 60.181 60.181 60.456 -0.275 17490 3337 1 6 . 1 1 41 41 PHE CB C 331 39.561 39.561 39.066 0.494 17490 3338 1 6 . 1 1 41 41 PHE H H 331 7.806 7.806 8.122 -0.316 17490 3339 1 6 . 1 1 42 42 LEU N N 332 119.016 119.016 120.084 -1.068 17490 3340 1 6 . 1 1 42 42 LEU HA H 332 3.508 3.508 3.702 -0.194 17490 3341 1 6 . 1 1 42 42 LEU C C 332 178.495 178.495 179.122 -0.627 17490 3342 1 6 . 1 1 42 42 LEU CA C 332 57.545 57.545 57.716 -0.171 17490 3343 1 6 . 1 1 42 42 LEU CB C 332 40.880 40.880 41.502 -0.621 17490 3344 1 6 . 1 1 42 42 LEU H H 332 8.436 8.436 7.889 0.547 17490 3345 1 6 . 1 1 43 43 GLN N N 333 116.210 116.210 116.962 -0.752 17490 3346 1 6 . 1 1 43 43 GLN HA H 333 4.590 4.590 4.076 0.514 17490 3347 1 6 . 1 1 43 43 GLN C C 333 178.499 178.499 178.433 0.066 17490 3348 1 6 . 1 1 43 43 GLN CA C 333 58.875 58.875 58.402 0.473 17490 3349 1 6 . 1 1 43 43 GLN CB C 333 30.846 30.846 28.303 2.543 17490 3350 1 6 . 1 1 43 43 GLN H H 333 8.236 8.236 8.603 -0.367 17490 3351 1 6 . 1 1 44 44 GLU N N 334 117.050 117.050 119.972 -2.922 17490 3352 1 6 . 1 1 44 44 GLU HA H 334 4.116 4.116 3.875 0.241 17490 3353 1 6 . 1 1 44 44 GLU C C 334 177.407 177.407 177.326 0.081 17490 3354 1 6 . 1 1 44 44 GLU CA C 334 58.756 58.756 59.064 -0.308 17490 3355 1 6 . 1 1 44 44 GLU CB C 334 30.518 30.518 29.756 0.762 17490 3356 1 6 . 1 1 44 44 GLU H H 334 8.926 8.926 7.855 1.071 17490 3357 1 6 . 1 1 45 45 GLU N N 335 114.950 114.950 115.048 -0.098 17490 3358 1 6 . 1 1 45 45 GLU HA H 335 4.354 4.354 4.144 0.210 17490 3359 1 6 . 1 1 45 45 GLU C C 335 176.873 176.873 178.523 -1.650 17490 3360 1 6 . 1 1 45 45 GLU CA C 335 57.018 57.018 56.931 0.087 17490 3361 1 6 . 1 1 45 45 GLU CB C 335 29.537 29.537 30.516 -0.979 17490 3362 1 6 . 1 1 45 45 GLU H H 335 8.054 8.054 7.676 0.378 17490 3363 1 6 . 1 1 46 46 ILE N N 336 115.649 115.649 115.495 0.154 17490 3364 1 6 . 1 1 46 46 ILE HA H 336 3.895 3.895 4.095 -0.200 17490 3365 1 6 . 1 1 46 46 ILE C C 336 175.873 175.873 175.718 0.155 17490 3366 1 6 . 1 1 46 46 ILE CA C 336 58.097 58.097 61.717 -3.620 17490 3367 1 6 . 1 1 46 46 ILE CB C 336 35.077 35.077 38.012 -2.935 17490 3368 1 6 . 1 1 46 46 ILE H H 336 6.749 6.749 7.403 -0.654 17490 3369 1 6 . 1 1 47 47 HIS N N 337 111.685 111.685 114.020 -2.335 17490 3370 1 6 . 1 1 47 47 HIS HA H 337 4.520 4.520 4.320 0.200 17490 3371 1 6 . 1 1 47 47 HIS C C 337 174.787 174.787 174.415 0.372 17490 3372 1 6 . 1 1 47 47 HIS CA C 337 56.387 56.387 56.869 -0.482 17490 3373 1 6 . 1 1 47 47 HIS CB C 337 24.947 24.947 27.127 -2.180 17490 3374 1 6 . 1 1 47 47 HIS H H 337 6.652 6.652 7.518 -0.866 17490 3375 1 6 . 1 1 48 48 ILE N N 338 118.069 118.069 119.783 -1.714 17490 3376 1 6 . 1 1 48 48 ILE HA H 338 4.433 4.433 4.023 0.410 17490 3377 1 6 . 1 1 48 48 ILE C C 338 175.031 175.031 175.637 -0.606 17490 3378 1 6 . 1 1 48 48 ILE CA C 338 60.737 60.737 62.000 -1.263 17490 3379 1 6 . 1 1 48 48 ILE CB C 338 38.861 38.861 37.253 1.608 17490 3380 1 6 . 1 1 48 48 ILE H H 338 7.963 7.963 7.433 0.530 17490 3381 1 6 . 1 1 49 49 ASN N N 339 123.991 123.991 124.979 -0.988 17490 3382 1 6 . 1 1 49 49 ASN HA H 339 4.691 4.691 4.854 -0.163 17490 3383 1 6 . 1 1 49 49 ASN C C 339 176.381 176.381 175.180 1.201 17490 3384 1 6 . 1 1 49 49 ASN CA C 339 53.296 53.296 52.219 1.077 17490 3385 1 6 . 1 1 49 49 ASN CB C 339 40.570 40.570 41.458 -0.888 17490 3386 1 6 . 1 1 49 49 ASN H H 339 9.222 9.222 8.158 1.064 17490 3387 1 6 . 1 1 50 50 GLU N N 340 125.549 125.549 117.748 7.801 17490 3388 1 6 . 1 1 50 50 GLU HA H 340 3.792 3.792 4.178 -0.386 17490 3389 1 6 . 1 1 50 50 GLU C C 340 177.988 177.988 177.271 0.717 17490 3390 1 6 . 1 1 50 50 GLU CA C 340 59.807 59.807 58.654 1.153 17490 3391 1 6 . 1 1 50 50 GLU CB C 340 29.143 29.143 29.920 -0.777 17490 3392 1 6 . 1 1 50 50 GLU H H 340 8.971 8.971 8.925 0.046 17490 3393 1 6 . 1 1 51 51 LYS N N 341 116.019 116.019 115.496 0.523 17490 3394 1 6 . 1 1 51 51 LYS HA H 341 4.117 4.117 4.291 -0.174 17490 3395 1 6 . 1 1 51 51 LYS C C 341 177.283 177.283 175.951 1.332 17490 3396 1 6 . 1 1 51 51 LYS CA C 341 57.718 57.718 56.898 0.820 17490 3397 1 6 . 1 1 51 51 LYS CB C 341 31.650 31.650 31.841 -0.191 17490 3398 1 6 . 1 1 51 51 LYS H H 341 8.424 8.424 8.226 0.198 17490 3399 1 6 . 1 1 52 52 ASP N N 342 117.576 117.576 117.863 -0.287 17490 3400 1 6 . 1 1 52 52 ASP HA H 342 4.444 4.444 4.869 -0.425 17490 3401 1 6 . 1 1 52 52 ASP C C 342 175.454 175.454 175.377 0.077 17490 3402 1 6 . 1 1 52 52 ASP CA C 342 56.002 56.002 55.431 0.571 17490 3403 1 6 . 1 1 52 52 ASP CB C 342 41.937 41.937 42.895 -0.959 17490 3404 1 6 . 1 1 52 52 ASP H H 342 7.908 7.908 7.588 0.320 17490 3405 1 6 . 1 1 53 53 ILE N N 343 120.515 120.515 118.275 2.240 17490 3406 1 6 . 1 1 53 53 ILE HA H 343 3.875 3.875 4.900 -1.025 17490 3407 1 6 . 1 1 53 53 ILE C C 343 174.966 174.966 175.610 -0.644 17490 3408 1 6 . 1 1 53 53 ILE CA C 343 61.101 61.101 58.270 2.831 17490 3409 1 6 . 1 1 53 53 ILE CB C 343 39.931 39.931 40.185 -0.255 17490 3410 1 6 . 1 1 53 53 ILE H H 343 7.480 7.480 7.552 -0.072 17490 3411 1 6 . 1 1 54 54 ARG N N 344 125.353 125.353 123.636 1.717 17490 3412 1 6 . 1 1 54 54 ARG HA H 344 4.291 4.291 4.280 0.011 17490 3413 1 6 . 1 1 54 54 ARG C C 344 176.642 176.642 176.277 0.365 17490 3414 1 6 . 1 1 54 54 ARG CA C 344 57.550 57.550 57.467 0.083 17490 3415 1 6 . 1 1 54 54 ARG CB C 344 30.848 30.848 31.363 -0.515 17490 3416 1 6 . 1 1 54 54 ARG H H 344 9.063 9.063 8.993 0.070 17490 3417 1 6 . 1 1 55 55 LYS N N 345 116.212 116.212 117.053 -0.841 17490 3418 1 6 . 1 1 55 55 LYS HA H 345 4.417 4.417 4.369 0.048 17490 3419 1 6 . 1 1 55 55 LYS C C 345 173.004 173.004 173.735 -0.731 17490 3420 1 6 . 1 1 55 55 LYS CA C 345 55.873 55.873 56.174 -0.301 17490 3421 1 6 . 1 1 55 55 LYS CB C 345 36.582 36.582 35.241 1.341 17490 3422 1 6 . 1 1 55 55 LYS H H 345 7.569 7.569 7.539 0.030 17490 3423 1 6 . 1 1 56 56 ILE N N 346 122.685 122.685 123.989 -1.304 17490 3424 1 6 . 1 1 56 56 ILE HA H 346 4.731 4.731 5.258 -0.527 17490 3425 1 6 . 1 1 56 56 ILE C C 346 174.163 174.163 173.778 0.385 17490 3426 1 6 . 1 1 56 56 ILE CA C 346 60.843 60.843 58.726 2.117 17490 3427 1 6 . 1 1 56 56 ILE CB C 346 40.816 40.816 39.974 0.842 17490 3428 1 6 . 1 1 56 56 ILE H H 346 8.229 8.229 8.452 -0.223 17490 3429 1 6 . 1 1 57 57 LEU N N 347 126.095 126.095 128.339 -2.244 17490 3430 1 6 . 1 1 57 57 LEU HA H 347 4.775 4.775 4.721 0.054 17490 3431 1 6 . 1 1 57 57 LEU C C 347 175.764 175.764 175.145 0.619 17490 3432 1 6 . 1 1 57 57 LEU CA C 347 52.746 52.746 53.398 -0.652 17490 3433 1 6 . 1 1 57 57 LEU CB C 347 45.364 45.364 46.183 -0.819 17490 3434 1 6 . 1 1 57 57 LEU H H 347 9.279 9.279 8.752 0.527 17490 3435 1 6 . 1 1 58 58 LEU N N 348 122.946 122.946 122.125 0.821 17490 3436 1 6 . 1 1 58 58 LEU HA H 348 4.338 4.338 4.428 -0.090 17490 3437 1 6 . 1 1 58 58 LEU C C 348 176.476 176.476 176.552 -0.076 17490 3438 1 6 . 1 1 58 58 LEU CA C 348 55.221 55.221 54.544 0.677 17490 3439 1 6 . 1 1 58 58 LEU CB C 348 41.496 41.496 42.505 -1.009 17490 3440 1 6 . 1 1 58 58 LEU H H 348 8.925 8.925 8.312 0.613 17490 3441 1 6 . 1 1 59 59 VAL N N 349 123.378 123.378 125.380 -2.002 17490 3442 1 6 . 1 1 59 59 VAL HA H 349 4.385 4.385 4.468 -0.083 17490 3443 1 6 . 1 1 59 59 VAL C C 349 176.335 176.335 175.563 0.772 17490 3444 1 6 . 1 1 59 59 VAL CA C 349 59.595 59.595 61.782 -2.188 17490 3445 1 6 . 1 1 59 59 VAL CB C 349 31.100 31.100 30.736 0.364 17490 3446 1 6 . 1 1 59 59 VAL H H 349 8.637 8.637 8.578 0.059 17490 3447 1 6 . 1 1 60 60 SER N N 350 124.152 124.152 119.249 4.903 17490 3448 1 6 . 1 1 60 60 SER HA H 350 3.907 3.907 4.502 -0.595 17490 3449 1 6 . 1 1 60 60 SER C C 350 177.518 177.518 174.155 3.363 17490 3450 1 6 . 1 1 60 60 SER CA C 350 62.261 62.261 58.011 4.250 17490 3451 1 6 . 1 1 60 60 SER CB C 350 62.301 62.301 63.122 -0.821 17490 3452 1 6 . 1 1 60 60 SER H H 350 8.755 8.755 8.921 -0.166 17490 3453 1 6 . 1 1 61 61 ASP N N 351 119.224 119.224 119.873 -0.649 17490 3454 1 6 . 1 1 61 61 ASP HA H 351 3.964 3.964 4.396 -0.432 17490 3455 1 6 . 1 1 61 61 ASP C C 351 174.721 174.721 173.957 0.764 17490 3456 1 6 . 1 1 61 61 ASP CA C 351 56.162 56.162 53.467 2.695 17490 3457 1 6 . 1 1 61 61 ASP CB C 351 40.102 40.102 40.707 -0.605 17490 3458 1 6 . 1 1 61 61 ASP H H 351 9.011 9.011 8.045 0.966 17490 3459 1 6 . 1 1 62 62 PHE N N 352 110.179 110.179 115.318 -5.139 17490 3460 1 6 . 1 1 62 62 PHE HA H 352 3.983 3.983 4.721 -0.738 17490 3461 1 6 . 1 1 62 62 PHE C C 352 173.268 173.268 173.816 -0.548 17490 3462 1 6 . 1 1 62 62 PHE CA C 352 56.221 56.221 55.805 0.416 17490 3463 1 6 . 1 1 62 62 PHE CB C 352 39.789 39.789 38.133 1.656 17490 3464 1 6 . 1 1 62 62 PHE H H 352 6.702 6.702 7.186 -0.484 17490 3465 1 6 . 1 1 63 63 ASN N N 353 114.980 114.980 118.851 -3.871 17490 3466 1 6 . 1 1 63 63 ASN HA H 353 4.665 4.665 4.405 0.260 17490 3467 1 6 . 1 1 63 63 ASN C C 353 174.360 174.360 174.873 -0.513 17490 3468 1 6 . 1 1 63 63 ASN CA C 353 54.158 54.158 54.146 0.012 17490 3469 1 6 . 1 1 63 63 ASN CB C 353 37.889 37.889 36.775 1.114 17490 3470 1 6 . 1 1 63 63 ASN H H 353 7.708 7.708 8.434 -0.726 17490 3471 1 6 . 1 1 64 64 GLY N N 354 102.117 102.117 104.577 -2.460 17490 3472 1 6 . 1 1 64 64 GLY C C 354 173.093 173.093 171.627 1.466 17490 3473 1 6 . 1 1 64 64 GLY CA C 354 45.413 45.413 44.239 1.174 17490 3474 1 6 . 1 1 64 64 GLY H H 354 7.722 7.722 8.460 -0.738 17490 3475 1 6 . 1 1 65 65 ALA N N 355 120.262 120.262 120.818 -0.556 17490 3476 1 6 . 1 1 65 65 ALA HA H 355 5.055 5.055 5.073 -0.018 17490 3477 1 6 . 1 1 65 65 ALA C C 355 174.731 174.731 175.602 -0.871 17490 3478 1 6 . 1 1 65 65 ALA CA C 355 51.429 51.429 50.712 0.717 17490 3479 1 6 . 1 1 65 65 ALA CB C 355 22.924 22.924 22.038 0.886 17490 3480 1 6 . 1 1 65 65 ALA H H 355 8.785 8.785 8.286 0.499 17490 3481 1 6 . 1 1 66 66 ILE N N 356 121.244 121.244 126.434 -5.190 17490 3482 1 6 . 1 1 66 66 ILE HA H 356 4.711 4.711 4.551 0.160 17490 3483 1 6 . 1 1 66 66 ILE C C 356 174.154 174.154 174.575 -0.421 17490 3484 1 6 . 1 1 66 66 ILE CA C 356 60.570 60.570 61.079 -0.509 17490 3485 1 6 . 1 1 66 66 ILE CB C 356 41.943 41.943 39.192 2.751 17490 3486 1 6 . 1 1 66 66 ILE H H 356 9.390 9.390 8.285 1.105 17490 3487 1 6 . 1 1 67 67 ILE N N 357 127.255 127.255 128.693 -1.438 17490 3488 1 6 . 1 1 67 67 ILE HA H 357 4.433 4.433 4.513 -0.080 17490 3489 1 6 . 1 1 67 67 ILE C C 357 174.004 174.004 174.205 -0.201 17490 3490 1 6 . 1 1 67 67 ILE CA C 357 59.826 59.826 60.566 -0.740 17490 3491 1 6 . 1 1 67 67 ILE CB C 357 38.965 38.965 41.977 -3.012 17490 3492 1 6 . 1 1 67 67 ILE H H 357 9.291 9.291 8.666 0.625 17490 3493 1 6 . 1 1 68 68 ILE N N 358 124.623 124.623 128.512 -3.889 17490 3494 1 6 . 1 1 68 68 ILE HA H 358 4.293 4.293 4.704 -0.411 17490 3495 1 6 . 1 1 68 68 ILE C C 358 176.052 176.052 175.257 0.795 17490 3496 1 6 . 1 1 68 68 ILE CA C 358 61.079 61.079 59.985 1.094 17490 3497 1 6 . 1 1 68 68 ILE CB C 358 38.373 38.373 38.261 0.112 17490 3498 1 6 . 1 1 68 68 ILE H H 358 8.681 8.681 7.904 0.777 17490 3499 1 6 . 1 1 69 69 PHE N N 359 126.100 126.100 125.590 0.510 17490 3500 1 6 . 1 1 69 69 PHE HA H 359 5.130 5.130 4.881 0.249 17490 3501 1 6 . 1 1 69 69 PHE C C 359 175.355 175.355 176.870 -1.515 17490 3502 1 6 . 1 1 69 69 PHE CA C 359 58.156 58.156 58.995 -0.839 17490 3503 1 6 . 1 1 69 69 PHE CB C 359 41.592 41.592 39.463 2.129 17490 3504 1 6 . 1 1 69 69 PHE H H 359 9.086 9.086 8.400 0.686 17490 3505 1 6 . 1 1 70 70 ARG N N 360 115.935 115.935 118.169 -2.234 17490 3506 1 6 . 1 1 70 70 ARG HA H 360 4.068 4.068 4.296 -0.228 17490 3507 1 6 . 1 1 70 70 ARG C C 360 175.099 175.099 175.099 0.000 17490 3508 1 6 . 1 1 70 70 ARG CA C 360 58.594 58.594 56.507 2.087 17490 3509 1 6 . 1 1 70 70 ARG CB C 360 30.664 30.664 30.641 0.023 17490 3510 1 6 . 1 1 70 70 ARG H H 360 8.268 8.268 8.848 -0.580 17490 3511 1 6 . 1 1 71 71 ASP N N 361 113.892 113.892 114.984 -1.092 17490 3512 1 6 . 1 1 71 71 ASP HA H 361 4.880 4.880 4.706 0.174 17490 3513 1 6 . 1 1 71 71 ASP C C 361 176.087 176.087 176.035 0.052 17490 3514 1 6 . 1 1 71 71 ASP CA C 361 53.329 53.329 53.919 -0.590 17490 3515 1 6 . 1 1 71 71 ASP CB C 361 44.131 44.131 43.352 0.779 17490 3516 1 6 . 1 1 71 71 ASP H H 361 7.673 7.673 7.603 0.070 17490 3517 1 6 . 1 1 72 72 SER N N 362 118.590 118.590 120.407 -1.817 17490 3518 1 6 . 1 1 72 72 SER HA H 362 4.310 4.310 4.342 -0.032 17490 3519 1 6 . 1 1 72 72 SER C C 362 176.600 176.600 176.387 0.213 17490 3520 1 6 . 1 1 72 72 SER CA C 362 60.739 60.739 61.286 -0.547 17490 3521 1 6 . 1 1 72 72 SER CB C 362 62.872 62.872 63.348 -0.476 17490 3522 1 6 . 1 1 72 72 SER H H 362 9.103 9.103 8.887 0.216 17490 3523 1 6 . 1 1 73 73 LYS N N 363 125.872 125.872 121.072 4.800 17490 3524 1 6 . 1 1 73 73 LYS HA H 363 4.134 4.134 4.063 0.071 17490 3525 1 6 . 1 1 73 73 LYS C C 363 179.386 179.386 178.490 0.896 17490 3526 1 6 . 1 1 73 73 LYS CA C 363 59.283 59.283 59.150 0.133 17490 3527 1 6 . 1 1 73 73 LYS CB C 363 31.491 31.491 32.118 -0.628 17490 3528 1 6 . 1 1 73 73 LYS H H 363 8.332 8.332 8.828 -0.496 17490 3529 1 6 . 1 1 74 74 PHE N N 364 123.145 123.145 119.850 3.295 17490 3530 1 6 . 1 1 74 74 PHE HA H 364 3.968 3.968 4.264 -0.296 17490 3531 1 6 . 1 1 74 74 PHE C C 364 177.819 177.819 176.757 1.062 17490 3532 1 6 . 1 1 74 74 PHE CA C 364 61.588 61.588 59.302 2.286 17490 3533 1 6 . 1 1 74 74 PHE CB C 364 39.963 39.963 38.826 1.137 17490 3534 1 6 . 1 1 74 74 PHE H H 364 8.482 8.482 7.662 0.820 17490 3535 1 6 . 1 1 75 75 ALA N N 365 119.451 119.451 121.771 -2.320 17490 3536 1 6 . 1 1 75 75 ALA HA H 365 3.396 3.396 3.742 -0.346 17490 3537 1 6 . 1 1 75 75 ALA C C 365 178.100 178.100 179.325 -1.225 17490 3538 1 6 . 1 1 75 75 ALA CA C 365 55.584 55.584 55.224 0.360 17490 3539 1 6 . 1 1 75 75 ALA CB C 365 18.265 18.265 17.965 0.300 17490 3540 1 6 . 1 1 75 75 ALA H H 365 7.835 7.835 8.713 -0.878 17490 3541 1 6 . 1 1 76 76 ALA N N 366 117.626 117.626 120.300 -2.674 17490 3542 1 6 . 1 1 76 76 ALA HA H 366 4.033 4.033 4.169 -0.136 17490 3543 1 6 . 1 1 76 76 ALA C C 366 180.569 180.569 179.543 1.026 17490 3544 1 6 . 1 1 76 76 ALA CA C 366 54.996 54.996 54.642 0.353 17490 3545 1 6 . 1 1 76 76 ALA CB C 366 18.040 18.040 18.493 -0.453 17490 3546 1 6 . 1 1 76 76 ALA H H 366 7.680 7.680 7.690 -0.010 17490 3547 1 6 . 1 1 77 77 LYS N N 367 118.273 118.273 119.324 -1.051 17490 3548 1 6 . 1 1 77 77 LYS HA H 367 3.998 3.998 4.134 -0.136 17490 3549 1 6 . 1 1 77 77 LYS C C 367 178.964 178.964 178.604 0.360 17490 3550 1 6 . 1 1 77 77 LYS CA C 367 58.803 58.803 58.598 0.205 17490 3551 1 6 . 1 1 77 77 LYS CB C 367 32.106 32.106 31.692 0.414 17490 3552 1 6 . 1 1 77 77 LYS H H 367 7.302 7.302 7.876 -0.574 17490 3553 1 6 . 1 1 78 78 MET N N 368 117.578 117.578 119.242 -1.664 17490 3554 1 6 . 1 1 78 78 MET HA H 368 4.273 4.273 4.021 0.252 17490 3555 1 6 . 1 1 78 78 MET C C 368 178.167 178.167 177.801 0.366 17490 3556 1 6 . 1 1 78 78 MET CA C 368 55.734 55.734 56.291 -0.557 17490 3557 1 6 . 1 1 78 78 MET CB C 368 32.382 32.382 31.343 1.039 17490 3558 1 6 . 1 1 78 78 MET H H 368 7.785 7.785 7.898 -0.113 17490 3559 1 6 . 1 1 79 79 LEU N N 369 120.984 120.984 123.032 -2.048 17490 3560 1 6 . 1 1 79 79 LEU HA H 369 3.786 3.786 4.198 -0.412 17490 3561 1 6 . 1 1 79 79 LEU C C 369 179.060 179.060 179.240 -0.180 17490 3562 1 6 . 1 1 79 79 LEU CA C 369 59.377 59.377 58.212 1.165 17490 3563 1 6 . 1 1 79 79 LEU CB C 369 42.354 42.354 41.965 0.389 17490 3564 1 6 . 1 1 79 79 LEU H H 369 8.197 8.197 7.646 0.551 17490 3565 1 6 . 1 1 80 80 MET N N 370 114.071 114.071 116.118 -2.047 17490 3566 1 6 . 1 1 80 80 MET HA H 370 4.277 4.277 4.075 0.202 17490 3567 1 6 . 1 1 80 80 MET C C 370 178.184 178.184 178.167 0.017 17490 3568 1 6 . 1 1 80 80 MET CA C 370 57.627 57.627 59.244 -1.617 17490 3569 1 6 . 1 1 80 80 MET CB C 370 32.543 32.543 32.823 -0.280 17490 3570 1 6 . 1 1 80 80 MET H H 370 7.018 7.018 7.663 -0.645 17490 3571 1 6 . 1 1 81 81 ILE N N 371 118.056 118.056 116.815 1.241 17490 3572 1 6 . 1 1 81 81 ILE HA H 371 3.885 3.885 3.865 0.020 17490 3573 1 6 . 1 1 81 81 ILE C C 371 177.491 177.491 177.822 -0.331 17490 3574 1 6 . 1 1 81 81 ILE CA C 371 63.571 63.571 63.359 0.212 17490 3575 1 6 . 1 1 81 81 ILE CB C 371 38.716 38.716 38.221 0.495 17490 3576 1 6 . 1 1 81 81 ILE H H 371 7.615 7.615 7.518 0.097 17490 3577 1 6 . 1 1 82 82 LEU N N 372 116.858 116.858 119.337 -2.479 17490 3578 1 6 . 1 1 82 82 LEU HA H 372 4.100 4.100 4.245 -0.145 17490 3579 1 6 . 1 1 82 82 LEU C C 372 178.360 178.360 176.863 1.497 17490 3580 1 6 . 1 1 82 82 LEU CA C 372 55.929 55.929 56.412 -0.483 17490 3581 1 6 . 1 1 82 82 LEU CB C 372 42.309 42.309 42.371 -0.062 17490 3582 1 6 . 1 1 82 82 LEU H H 372 8.160 8.160 8.313 -0.153 17490 3583 1 6 . 1 1 83 83 ASN N N 373 117.015 117.015 115.670 1.345 17490 3584 1 6 . 1 1 83 83 ASN HA H 373 4.348 4.348 4.661 -0.313 17490 3585 1 6 . 1 1 83 83 ASN C C 373 175.671 175.671 175.683 -0.012 17490 3586 1 6 . 1 1 83 83 ASN CA C 373 55.793 55.793 54.829 0.964 17490 3587 1 6 . 1 1 83 83 ASN CB C 373 38.434 38.434 39.145 -0.712 17490 3588 1 6 . 1 1 83 83 ASN H H 373 7.058 7.058 7.855 -0.797 17490 3589 1 6 . 1 1 84 84 GLY N N 374 116.878 116.878 105.955 10.923 17490 3590 1 6 . 1 1 84 84 GLY C C 374 174.602 174.602 174.406 0.196 17490 3591 1 6 . 1 1 84 84 GLY CA C 374 45.842 45.842 45.510 0.332 17490 3592 1 6 . 1 1 84 84 GLY H H 374 9.053 9.053 8.180 0.873 17490 3593 1 6 . 1 1 85 85 SER N N 375 116.615 116.615 114.768 1.847 17490 3594 1 6 . 1 1 85 85 SER HA H 375 4.407 4.407 4.739 -0.332 17490 3595 1 6 . 1 1 85 85 SER C C 375 171.580 171.580 173.949 -2.369 17490 3596 1 6 . 1 1 85 85 SER CA C 375 59.280 59.280 57.422 1.857 17490 3597 1 6 . 1 1 85 85 SER CB C 375 64.303 64.303 65.924 -1.621 17490 3598 1 6 . 1 1 85 85 SER H H 375 7.666 7.666 7.810 -0.144 17490 3599 1 6 . 1 1 86 86 GLN N N 376 117.824 117.824 120.738 -2.914 17490 3600 1 6 . 1 1 86 86 GLN HA H 376 4.893 4.893 4.861 0.032 17490 3601 1 6 . 1 1 86 86 GLN C C 376 175.033 175.033 174.712 0.321 17490 3602 1 6 . 1 1 86 86 GLN CA C 376 54.885 54.885 55.292 -0.407 17490 3603 1 6 . 1 1 86 86 GLN CB C 376 30.733 30.733 30.627 0.106 17490 3604 1 6 . 1 1 86 86 GLN H H 376 8.381 8.381 8.599 -0.218 17490 3605 1 6 . 1 1 87 87 PHE N N 377 124.095 124.095 125.074 -0.979 17490 3606 1 6 . 1 1 87 87 PHE HA H 377 4.472 4.472 4.734 -0.262 17490 3607 1 6 . 1 1 87 87 PHE C C 377 174.760 174.760 174.413 0.347 17490 3608 1 6 . 1 1 87 87 PHE CA C 377 56.009 56.009 57.935 -1.926 17490 3609 1 6 . 1 1 87 87 PHE CB C 377 41.519 41.519 42.500 -0.981 17490 3610 1 6 . 1 1 87 87 PHE H H 377 8.974 8.974 9.321 -0.347 17490 3611 1 6 . 1 1 88 88 GLN N N 378 126.108 126.108 123.239 2.869 17490 3612 1 6 . 1 1 88 88 GLN HA H 378 3.505 3.505 3.609 -0.104 17490 3613 1 6 . 1 1 88 88 GLN C C 378 176.162 176.162 176.122 0.040 17490 3614 1 6 . 1 1 88 88 GLN CA C 378 56.570 56.570 56.246 0.324 17490 3615 1 6 . 1 1 88 88 GLN CB C 378 26.070 26.070 26.762 -0.692 17490 3616 1 6 . 1 1 88 88 GLN H H 378 9.139 9.139 8.645 0.494 17490 3617 1 6 . 1 1 89 89 GLY N N 379 103.132 103.132 101.503 1.629 17490 3618 1 6 . 1 1 89 89 GLY C C 379 173.587 173.587 173.849 -0.262 17490 3619 1 6 . 1 1 89 89 GLY CA C 379 45.382 45.382 45.231 0.151 17490 3620 1 6 . 1 1 89 89 GLY H H 379 8.580 8.580 8.449 0.131 17490 3621 1 6 . 1 1 90 90 LYS N N 380 119.783 119.783 119.315 0.468 17490 3622 1 6 . 1 1 90 90 LYS HA H 380 4.697 4.697 4.649 0.048 17490 3623 1 6 . 1 1 90 90 LYS C C 380 174.500 174.500 174.990 -0.490 17490 3624 1 6 . 1 1 90 90 LYS CA C 380 54.019 54.019 54.708 -0.689 17490 3625 1 6 . 1 1 90 90 LYS CB C 380 35.919 35.919 36.444 -0.525 17490 3626 1 6 . 1 1 90 90 LYS H H 380 7.457 7.457 7.597 -0.140 17490 3627 1 6 . 1 1 91 91 VAL N N 381 121.517 121.517 122.348 -0.831 17490 3628 1 6 . 1 1 91 91 VAL HA H 381 4.294 4.294 4.802 -0.508 17490 3629 1 6 . 1 1 91 91 VAL C C 381 176.729 176.729 176.080 0.649 17490 3630 1 6 . 1 1 91 91 VAL CA C 381 63.176 63.176 61.885 1.291 17490 3631 1 6 . 1 1 91 91 VAL CB C 381 32.073 32.073 32.458 -0.385 17490 3632 1 6 . 1 1 91 91 VAL H H 381 8.256 8.256 8.404 -0.148 17490 3633 1 6 . 1 1 92 92 ILE N N 382 124.746 124.746 123.571 1.175 17490 3634 1 6 . 1 1 92 92 ILE HA H 382 4.533 4.533 4.696 -0.163 17490 3635 1 6 . 1 1 92 92 ILE C C 382 173.501 173.501 174.251 -0.750 17490 3636 1 6 . 1 1 92 92 ILE CA C 382 59.249 59.249 59.543 -0.294 17490 3637 1 6 . 1 1 92 92 ILE CB C 382 41.995 41.995 39.787 2.208 17490 3638 1 6 . 1 1 92 92 ILE H H 382 8.788 8.788 8.619 0.169 17490 3639 1 6 . 1 1 93 93 ARG N N 383 119.723 119.723 121.867 -2.144 17490 3640 1 6 . 1 1 93 93 ARG HA H 383 4.608 4.608 4.924 -0.316 17490 3641 1 6 . 1 1 93 93 ARG C C 383 173.979 173.979 174.340 -0.361 17490 3642 1 6 . 1 1 93 93 ARG CA C 383 53.178 53.178 54.244 -1.066 17490 3643 1 6 . 1 1 93 93 ARG CB C 383 31.724 31.724 32.877 -1.153 17490 3644 1 6 . 1 1 93 93 ARG H H 383 8.500 8.500 8.446 0.054 17490 3645 1 6 . 1 1 94 94 SER N N 384 110.386 110.386 113.901 -3.515 17490 3646 1 6 . 1 1 94 94 SER HA H 384 5.685 5.685 5.061 0.624 17490 3647 1 6 . 1 1 94 94 SER C C 384 174.791 174.791 172.874 1.917 17490 3648 1 6 . 1 1 94 94 SER CA C 384 54.419 54.419 56.501 -2.082 17490 3649 1 6 . 1 1 94 94 SER CB C 384 67.147 67.147 65.122 2.025 17490 3650 1 6 . 1 1 94 94 SER H H 384 7.700 7.700 8.563 -0.863 17490 3651 1 6 . 1 1 95 95 GLY N N 385 106.738 106.738 107.983 -1.245 17490 3652 1 6 . 1 1 95 95 GLY C C 385 171.619 171.619 172.183 -0.564 17490 3653 1 6 . 1 1 95 95 GLY CA C 385 45.904 45.904 45.596 0.308 17490 3654 1 6 . 1 1 95 95 GLY H H 385 8.360 8.360 8.526 -0.166 17490 3655 1 6 . 1 1 96 96 THR N N 386 111.493 111.493 112.384 -0.891 17490 3656 1 6 . 1 1 96 96 THR HA H 386 4.604 4.604 4.702 -0.098 17490 3657 1 6 . 1 1 96 96 THR C C 386 175.600 175.600 175.799 -0.199 17490 3658 1 6 . 1 1 96 96 THR CA C 386 60.901 60.901 60.729 0.172 17490 3659 1 6 . 1 1 96 96 THR CB C 386 71.709 71.709 71.333 0.376 17490 3660 1 6 . 1 1 96 96 THR H H 386 9.274 9.274 8.083 1.191 17490 3661 1 6 . 1 1 97 97 ILE N N 387 121.293 121.293 117.803 3.490 17490 3662 1 6 . 1 1 97 97 ILE HA H 387 3.881 3.881 3.958 -0.077 17490 3663 1 6 . 1 1 97 97 ILE C C 387 178.109 178.109 176.702 1.407 17490 3664 1 6 . 1 1 97 97 ILE CA C 387 65.826 65.826 63.516 2.310 17490 3665 1 6 . 1 1 97 97 ILE CB C 387 37.717 37.717 37.919 -0.202 17490 3666 1 6 . 1 1 97 97 ILE H H 387 9.339 9.339 8.258 1.081 17490 3667 1 6 . 1 1 98 98 ASN N N 388 117.358 117.358 118.926 -1.568 17490 3668 1 6 . 1 1 98 98 ASN HA H 388 4.224 4.224 4.414 -0.190 17490 3669 1 6 . 1 1 98 98 ASN C C 388 178.040 178.040 176.585 1.455 17490 3670 1 6 . 1 1 98 98 ASN CA C 388 56.205 56.205 56.329 -0.124 17490 3671 1 6 . 1 1 98 98 ASN CB C 388 37.719 37.719 38.665 -0.946 17490 3672 1 6 . 1 1 98 98 ASN H H 388 8.162 8.162 7.789 0.373 17490 3673 1 6 . 1 1 99 99 ASP N N 389 121.336 121.336 121.196 0.140 17490 3674 1 6 . 1 1 99 99 ASP HA H 389 4.236 4.236 4.117 0.119 17490 3675 1 6 . 1 1 99 99 ASP C C 389 177.813 177.813 177.725 0.088 17490 3676 1 6 . 1 1 99 99 ASP CA C 389 57.639 57.639 56.333 1.306 17490 3677 1 6 . 1 1 99 99 ASP CB C 389 40.497 40.497 40.505 -0.008 17490 3678 1 6 . 1 1 99 99 ASP H H 389 7.865 7.865 8.238 -0.373 17490 3679 1 6 . 1 1 100 100 MET N N 390 122.932 122.932 116.598 6.334 17490 3680 1 6 . 1 1 100 100 MET HA H 390 4.499 4.499 4.359 0.140 17490 3681 1 6 . 1 1 100 100 MET C C 390 178.081 178.081 177.982 0.099 17490 3682 1 6 . 1 1 100 100 MET CA C 390 58.402 58.402 59.254 -0.852 17490 3683 1 6 . 1 1 100 100 MET CB C 390 32.263 32.263 32.419 -0.156 17490 3684 1 6 . 1 1 100 100 MET H H 390 7.874 7.874 7.846 0.028 17490 3685 1 6 . 1 1 101 101 LYS N N 391 118.764 118.764 120.834 -2.070 17490 3686 1 6 . 1 1 101 101 LYS HA H 391 3.484 3.484 4.320 -0.836 17490 3687 1 6 . 1 1 101 101 LYS C C 391 178.102 178.102 179.311 -1.209 17490 3688 1 6 . 1 1 101 101 LYS CA C 391 60.070 60.070 59.763 0.307 17490 3689 1 6 . 1 1 101 101 LYS CB C 391 32.468 32.468 31.766 0.702 17490 3690 1 6 . 1 1 101 101 LYS H H 391 7.994 7.994 7.646 0.348 17490 3691 1 6 . 1 1 102 102 ARG N N 392 118.974 118.974 120.314 -1.340 17490 3692 1 6 . 1 1 102 102 ARG HA H 392 3.971 3.971 4.110 -0.139 17490 3693 1 6 . 1 1 102 102 ARG C C 392 178.433 178.433 179.100 -0.667 17490 3694 1 6 . 1 1 102 102 ARG CA C 392 59.485 59.485 58.963 0.522 17490 3695 1 6 . 1 1 102 102 ARG CB C 392 30.282 30.282 29.794 0.487 17490 3696 1 6 . 1 1 102 102 ARG H H 392 8.088 8.088 7.749 0.339 17490 3697 1 6 . 1 1 103 103 TYR N N 393 119.904 119.904 119.345 0.559 17490 3698 1 6 . 1 1 103 103 TYR HA H 393 4.017 4.017 4.013 0.004 17490 3699 1 6 . 1 1 103 103 TYR C C 393 177.819 177.819 178.464 -0.645 17490 3700 1 6 . 1 1 103 103 TYR CA C 393 61.926 61.926 59.051 2.875 17490 3701 1 6 . 1 1 103 103 TYR CB C 393 39.373 39.373 36.965 2.408 17490 3702 1 6 . 1 1 103 103 TYR H H 393 8.058 8.058 7.919 0.139 17490 3703 1 6 . 1 1 104 104 TYR N N 394 119.418 119.418 120.907 -1.489 17490 3704 1 6 . 1 1 104 104 TYR HA H 394 4.167 4.167 4.224 -0.057 17490 3705 1 6 . 1 1 104 104 TYR C C 394 177.920 177.920 177.367 0.553 17490 3706 1 6 . 1 1 104 104 TYR CA C 394 61.764 61.764 60.380 1.384 17490 3707 1 6 . 1 1 104 104 TYR CB C 394 39.162 39.162 38.330 0.832 17490 3708 1 6 . 1 1 104 104 TYR H H 394 7.846 7.846 8.720 -0.874 17490 3709 1 6 . 1 1 105 105 ASN N N 395 117.373 117.373 118.664 -1.291 17490 3710 1 6 . 1 1 105 105 ASN HA H 395 4.414 4.414 3.954 0.460 17490 3711 1 6 . 1 1 105 105 ASN C C 395 176.906 176.906 177.222 -0.316 17490 3712 1 6 . 1 1 105 105 ASN CA C 395 55.691 55.691 56.566 -0.875 17490 3713 1 6 . 1 1 105 105 ASN CB C 395 38.472 38.472 38.018 0.454 17490 3714 1 6 . 1 1 105 105 ASN H H 395 8.499 8.499 8.125 0.374 17490 3715 1 6 . 1 1 106 106 ASN N N 396 118.101 118.101 118.388 -0.287 17490 3716 1 6 . 1 1 106 106 ASN HA H 396 4.531 4.531 4.455 0.076 17490 3717 1 6 . 1 1 106 106 ASN C C 396 176.450 176.450 177.343 -0.893 17490 3718 1 6 . 1 1 106 106 ASN CA C 396 54.775 54.775 55.258 -0.483 17490 3719 1 6 . 1 1 106 106 ASN CB C 396 38.543 38.543 38.471 0.072 17490 3720 1 6 . 1 1 106 106 ASN H H 396 8.081 8.081 8.039 0.042 17490 3721 1 6 . 1 1 107 107 GLN N N 397 118.903 118.903 119.099 -0.196 17490 3722 1 6 . 1 1 107 107 GLN HA H 397 3.977 3.977 4.218 -0.241 17490 3723 1 6 . 1 1 107 107 GLN C C 397 176.907 176.907 177.786 -0.879 17490 3724 1 6 . 1 1 107 107 GLN CA C 397 56.815 56.815 58.091 -1.276 17490 3725 1 6 . 1 1 107 107 GLN CB C 397 28.610 28.610 28.582 0.028 17490 3726 1 6 . 1 1 107 107 GLN H H 397 7.772 7.772 7.847 -0.075 17490 3727 1 6 . 1 1 108 108 GLN N N 398 118.101 118.101 117.555 0.546 17490 3728 1 6 . 1 1 108 108 GLN HA H 398 3.920 3.920 4.071 -0.151 17490 3729 1 6 . 1 1 108 108 GLN C C 398 176.321 176.321 176.453 -0.132 17490 3730 1 6 . 1 1 108 108 GLN CA C 398 56.554 56.554 57.707 -1.153 17490 3731 1 6 . 1 1 108 108 GLN CB C 398 28.650 28.650 29.247 -0.597 17490 3732 1 6 . 1 1 108 108 GLN H H 398 7.854 7.854 8.134 -0.280 17490 3733 1 7 . 1 1 3 3 LEU N N 293 125.082 125.082 123.822 1.260 17490 3734 1 7 . 1 1 3 3 LEU HA H 293 4.292 4.292 4.677 -0.385 17490 3735 1 7 . 1 1 3 3 LEU C C 293 177.442 177.442 177.216 0.226 17490 3736 1 7 . 1 1 3 3 LEU CA C 293 55.523 55.523 54.172 1.351 17490 3737 1 7 . 1 1 3 3 LEU CB C 293 42.516 42.516 43.448 -0.932 17490 3738 1 7 . 1 1 3 3 LEU H H 293 8.321 8.321 8.042 0.279 17490 3739 1 7 . 1 1 4 4 GLU N N 294 122.906 122.906 127.043 -4.137 17490 3740 1 7 . 1 1 4 4 GLU HA H 294 4.069 4.069 3.872 0.197 17490 3741 1 7 . 1 1 4 4 GLU C C 294 177.158 177.158 178.105 -0.947 17490 3742 1 7 . 1 1 4 4 GLU CA C 294 58.307 58.307 59.872 -1.565 17490 3743 1 7 . 1 1 4 4 GLU CB C 294 29.676 29.676 29.019 0.657 17490 3744 1 7 . 1 1 4 4 GLU H H 294 8.521 8.521 9.063 -0.542 17490 3745 1 7 . 1 1 5 5 ARG N N 295 120.270 120.270 117.650 2.620 17490 3746 1 7 . 1 1 5 5 ARG HA H 295 4.131 4.131 4.091 0.040 17490 3747 1 7 . 1 1 5 5 ARG C C 295 177.768 177.768 178.897 -1.129 17490 3748 1 7 . 1 1 5 5 ARG CA C 295 58.082 58.082 58.778 -0.696 17490 3749 1 7 . 1 1 5 5 ARG CB C 295 30.192 30.192 29.376 0.816 17490 3750 1 7 . 1 1 5 5 ARG H H 295 8.327 8.327 8.725 -0.398 17490 3751 1 7 . 1 1 6 6 ASN N N 296 118.639 118.639 118.835 -0.196 17490 3752 1 7 . 1 1 6 6 ASN HA H 296 4.554 4.554 4.567 -0.013 17490 3753 1 7 . 1 1 6 6 ASN C C 296 176.830 176.830 177.322 -0.492 17490 3754 1 7 . 1 1 6 6 ASN CA C 296 54.901 54.901 56.183 -1.282 17490 3755 1 7 . 1 1 6 6 ASN CB C 296 38.115 38.115 38.586 -0.471 17490 3756 1 7 . 1 1 6 6 ASN H H 296 8.257 8.257 7.951 0.306 17490 3757 1 7 . 1 1 7 7 GLU N N 297 123.935 123.935 120.982 2.953 17490 3758 1 7 . 1 1 7 7 GLU HA H 297 4.266 4.266 4.041 0.225 17490 3759 1 7 . 1 1 7 7 GLU C C 297 178.102 178.102 179.301 -1.199 17490 3760 1 7 . 1 1 7 7 GLU CA C 297 58.897 58.897 59.917 -1.020 17490 3761 1 7 . 1 1 7 7 GLU CB C 297 29.814 29.814 29.606 0.208 17490 3762 1 7 . 1 1 7 7 GLU H H 297 8.185 8.185 8.514 -0.329 17490 3763 1 7 . 1 1 8 8 VAL N N 298 118.916 118.916 120.011 -1.095 17490 3764 1 7 . 1 1 8 8 VAL HA H 298 3.399 3.399 3.621 -0.222 17490 3765 1 7 . 1 1 8 8 VAL C C 298 177.131 177.131 177.857 -0.726 17490 3766 1 7 . 1 1 8 8 VAL CA C 298 67.619 67.619 66.758 0.861 17490 3767 1 7 . 1 1 8 8 VAL CB C 298 32.041 32.041 31.129 0.912 17490 3768 1 7 . 1 1 8 8 VAL H H 298 8.095 8.095 8.764 -0.669 17490 3769 1 7 . 1 1 9 9 LYS N N 299 117.791 117.791 119.787 -1.996 17490 3770 1 7 . 1 1 9 9 LYS HA H 299 3.804 3.804 4.007 -0.203 17490 3771 1 7 . 1 1 9 9 LYS C C 299 179.259 179.259 178.854 0.405 17490 3772 1 7 . 1 1 9 9 LYS CA C 299 59.806 59.806 59.672 0.134 17490 3773 1 7 . 1 1 9 9 LYS CB C 299 32.290 32.290 32.209 0.081 17490 3774 1 7 . 1 1 9 9 LYS H H 299 7.771 7.771 7.840 -0.069 17490 3775 1 7 . 1 1 10 10 ARG N N 300 119.032 119.032 119.272 -0.240 17490 3776 1 7 . 1 1 10 10 ARG HA H 300 3.934 3.934 4.106 -0.172 17490 3777 1 7 . 1 1 10 10 ARG C C 300 179.680 179.680 178.950 0.730 17490 3778 1 7 . 1 1 10 10 ARG CA C 300 59.444 59.444 58.879 0.565 17490 3779 1 7 . 1 1 10 10 ARG CB C 300 30.190 30.190 29.981 0.209 17490 3780 1 7 . 1 1 10 10 ARG H H 300 7.834 7.834 8.171 -0.337 17490 3781 1 7 . 1 1 11 11 LEU N N 301 120.881 120.881 118.901 1.980 17490 3782 1 7 . 1 1 11 11 LEU HA H 301 3.890 3.890 4.083 -0.193 17490 3783 1 7 . 1 1 11 11 LEU C C 301 178.937 178.937 177.528 1.409 17490 3784 1 7 . 1 1 11 11 LEU CA C 301 58.067 58.067 56.983 1.084 17490 3785 1 7 . 1 1 11 11 LEU CB C 301 42.051 42.051 42.072 -0.021 17490 3786 1 7 . 1 1 11 11 LEU H H 301 8.147 8.147 8.162 -0.015 17490 3787 1 7 . 1 1 12 12 LEU N N 302 116.294 116.294 118.027 -1.733 17490 3788 1 7 . 1 1 12 12 LEU HA H 302 3.874 3.874 4.138 -0.264 17490 3789 1 7 . 1 1 12 12 LEU C C 302 177.360 177.360 177.986 -0.626 17490 3790 1 7 . 1 1 12 12 LEU CA C 302 57.498 57.498 56.753 0.745 17490 3791 1 7 . 1 1 12 12 LEU CB C 302 41.506 41.506 42.941 -1.435 17490 3792 1 7 . 1 1 12 12 LEU H H 302 8.331 8.331 7.660 0.671 17490 3793 1 7 . 1 1 13 13 ALA N N 303 117.998 117.998 120.005 -2.007 17490 3794 1 7 . 1 1 13 13 ALA HA H 303 4.480 4.480 4.154 0.326 17490 3795 1 7 . 1 1 13 13 ALA C C 303 177.554 177.554 177.469 0.085 17490 3796 1 7 . 1 1 13 13 ALA CA C 303 51.290 51.290 52.951 -1.661 17490 3797 1 7 . 1 1 13 13 ALA CB C 303 19.810 19.810 18.997 0.813 17490 3798 1 7 . 1 1 13 13 ALA H H 303 7.109 7.109 7.656 -0.547 17490 3799 1 7 . 1 1 14 14 SER N N 304 114.833 114.833 113.952 0.881 17490 3800 1 7 . 1 1 14 14 SER HA H 304 4.175 4.175 4.203 -0.028 17490 3801 1 7 . 1 1 14 14 SER C C 304 175.762 175.762 174.900 0.862 17490 3802 1 7 . 1 1 14 14 SER CA C 304 59.344 59.344 58.831 0.513 17490 3803 1 7 . 1 1 14 14 SER CB C 304 63.704 63.704 63.780 -0.076 17490 3804 1 7 . 1 1 14 14 SER H H 304 7.265 7.265 7.852 -0.587 17490 3805 1 7 . 1 1 15 15 ARG N N 305 125.370 125.370 125.046 0.324 17490 3806 1 7 . 1 1 15 15 ARG HA H 305 4.555 4.555 4.333 0.222 17490 3807 1 7 . 1 1 15 15 ARG C C 305 175.442 175.442 176.195 -0.753 17490 3808 1 7 . 1 1 15 15 ARG CA C 305 54.847 54.847 55.657 -0.810 17490 3809 1 7 . 1 1 15 15 ARG CB C 305 30.415 30.415 30.469 -0.054 17490 3810 1 7 . 1 1 15 15 ARG H H 305 8.872 8.872 8.614 0.258 17490 3811 1 7 . 1 1 16 16 ASN N N 306 120.536 120.536 120.214 0.322 17490 3812 1 7 . 1 1 16 16 ASN HA H 306 4.774 4.774 4.629 0.145 17490 3813 1 7 . 1 1 16 16 ASN C C 306 175.146 175.146 175.802 -0.656 17490 3814 1 7 . 1 1 16 16 ASN CA C 306 52.434 52.434 53.238 -0.804 17490 3815 1 7 . 1 1 16 16 ASN CB C 306 38.294 38.294 38.116 0.178 17490 3816 1 7 . 1 1 16 16 ASN H H 306 8.367 8.367 7.702 0.665 17490 3817 1 7 . 1 1 17 17 SER N N 307 121.694 121.694 122.084 -0.390 17490 3818 1 7 . 1 1 17 17 SER HA H 307 4.090 4.090 4.265 -0.175 17490 3819 1 7 . 1 1 17 17 SER C C 307 175.970 175.970 175.059 0.911 17490 3820 1 7 . 1 1 17 17 SER CA C 307 61.484 61.484 60.108 1.376 17490 3821 1 7 . 1 1 17 17 SER CB C 307 62.850 62.850 63.140 -0.290 17490 3822 1 7 . 1 1 17 17 SER H H 307 8.656 8.656 8.510 0.146 17490 3823 1 7 . 1 1 18 18 LYS N N 308 120.961 120.961 122.052 -1.091 17490 3824 1 7 . 1 1 18 18 LYS HA H 308 4.115 4.115 4.172 -0.057 17490 3825 1 7 . 1 1 18 18 LYS C C 308 178.999 178.999 178.267 0.732 17490 3826 1 7 . 1 1 18 18 LYS CA C 308 58.606 58.606 59.002 -0.396 17490 3827 1 7 . 1 1 18 18 LYS CB C 308 31.614 31.614 32.464 -0.850 17490 3828 1 7 . 1 1 18 18 LYS H H 308 8.060 8.060 7.754 0.306 17490 3829 1 7 . 1 1 19 19 GLU N N 309 118.377 118.377 120.190 -1.813 17490 3830 1 7 . 1 1 19 19 GLU HA H 309 4.198 4.198 4.188 0.010 17490 3831 1 7 . 1 1 19 19 GLU C C 309 178.136 178.136 178.316 -0.180 17490 3832 1 7 . 1 1 19 19 GLU CA C 309 57.939 57.939 59.144 -1.205 17490 3833 1 7 . 1 1 19 19 GLU CB C 309 30.115 30.115 29.772 0.343 17490 3834 1 7 . 1 1 19 19 GLU H H 309 7.520 7.520 7.632 -0.112 17490 3835 1 7 . 1 1 20 20 LEU N N 310 118.101 118.101 116.884 1.217 17490 3836 1 7 . 1 1 20 20 LEU HA H 310 4.168 4.168 4.182 -0.014 17490 3837 1 7 . 1 1 20 20 LEU C C 310 179.112 179.112 178.059 1.053 17490 3838 1 7 . 1 1 20 20 LEU CA C 310 56.583 56.583 56.476 0.107 17490 3839 1 7 . 1 1 20 20 LEU CB C 310 41.611 41.611 41.105 0.506 17490 3840 1 7 . 1 1 20 20 LEU H H 310 7.741 7.741 7.493 0.248 17490 3841 1 7 . 1 1 21 21 GLU N N 311 116.130 116.130 119.715 -3.585 17490 3842 1 7 . 1 1 21 21 GLU HA H 311 4.342 4.342 4.166 0.176 17490 3843 1 7 . 1 1 21 21 GLU C C 311 176.928 176.928 178.810 -1.882 17490 3844 1 7 . 1 1 21 21 GLU CA C 311 58.216 58.216 58.416 -0.200 17490 3845 1 7 . 1 1 21 21 GLU CB C 311 29.608 29.608 29.852 -0.244 17490 3846 1 7 . 1 1 21 21 GLU H H 311 7.747 7.747 7.895 -0.148 17490 3847 1 7 . 1 1 22 22 THR N N 312 106.131 106.131 117.809 -11.678 17490 3848 1 7 . 1 1 22 22 THR HA H 312 4.182 4.182 4.185 -0.003 17490 3849 1 7 . 1 1 22 22 THR C C 312 172.032 172.032 176.005 -3.973 17490 3850 1 7 . 1 1 22 22 THR CA C 312 61.539 61.539 65.653 -4.114 17490 3851 1 7 . 1 1 22 22 THR CB C 312 69.426 69.426 69.137 0.289 17490 3852 1 7 . 1 1 22 22 THR H H 312 7.446 7.446 7.813 -0.367 17490 3853 1 7 . 1 1 23 23 LEU N N 313 120.178 120.178 118.097 2.081 17490 3854 1 7 . 1 1 23 23 LEU HA H 313 5.869 5.869 5.151 0.718 17490 3855 1 7 . 1 1 23 23 LEU C C 313 175.604 175.604 174.997 0.607 17490 3856 1 7 . 1 1 23 23 LEU CA C 313 52.838 52.838 53.951 -1.113 17490 3857 1 7 . 1 1 23 23 LEU CB C 313 46.851 46.851 44.938 1.913 17490 3858 1 7 . 1 1 23 23 LEU H H 313 7.538 7.538 8.120 -0.582 17490 3859 1 7 . 1 1 24 24 ILE N N 314 113.990 113.990 110.284 3.706 17490 3860 1 7 . 1 1 24 24 ILE HA H 314 4.717 4.717 4.577 0.140 17490 3861 1 7 . 1 1 24 24 ILE C C 314 173.530 173.530 173.641 -0.111 17490 3862 1 7 . 1 1 24 24 ILE CA C 314 59.368 59.368 59.694 -0.327 17490 3863 1 7 . 1 1 24 24 ILE CB C 314 42.319 42.319 41.207 1.112 17490 3864 1 7 . 1 1 24 24 ILE H H 314 8.904 8.904 8.278 0.626 17490 3865 1 7 . 1 1 25 25 CYS N N 315 117.755 117.755 120.177 -2.422 17490 3866 1 7 . 1 1 25 25 CYS HA H 315 5.914 5.914 5.558 0.356 17490 3867 1 7 . 1 1 25 25 CYS C C 315 174.153 174.153 174.734 -0.581 17490 3868 1 7 . 1 1 25 25 CYS CA C 315 57.187 57.187 57.102 0.085 17490 3869 1 7 . 1 1 25 25 CYS CB C 315 31.754 31.754 29.347 2.407 17490 3870 1 7 . 1 1 25 25 CYS H H 315 9.021 9.021 8.844 0.177 17490 3871 1 7 . 1 1 26 26 LEU N N 316 119.952 119.952 125.170 -5.218 17490 3872 1 7 . 1 1 26 26 LEU HA H 316 5.363 5.363 4.721 0.642 17490 3873 1 7 . 1 1 26 26 LEU C C 316 176.015 176.015 175.943 0.072 17490 3874 1 7 . 1 1 26 26 LEU CA C 316 53.072 53.072 54.671 -1.599 17490 3875 1 7 . 1 1 26 26 LEU CB C 316 45.891 45.891 41.950 3.942 17490 3876 1 7 . 1 1 26 26 LEU H H 316 8.778 8.778 8.888 -0.110 17490 3877 1 7 . 1 1 27 27 PHE N N 317 116.116 116.116 122.877 -6.761 17490 3878 1 7 . 1 1 27 27 PHE HA H 317 4.158 4.158 5.052 -0.894 17490 3879 1 7 . 1 1 27 27 PHE CA C 317 55.594 55.594 54.226 1.368 17490 3880 1 7 . 1 1 27 27 PHE CB C 317 37.765 37.765 39.941 -2.176 17490 3881 1 7 . 1 1 27 27 PHE H H 317 7.827 7.827 9.035 -1.208 17490 3882 1 7 . 1 1 28 28 PRO HA H 318 5.322 5.322 4.683 0.639 17490 3883 1 7 . 1 1 28 28 PRO C C 318 175.163 175.163 175.224 -0.061 17490 3884 1 7 . 1 1 28 28 PRO CA C 318 61.657 61.657 61.878 -0.221 17490 3885 1 7 . 1 1 28 28 PRO CB C 318 34.356 34.356 30.976 3.380 17490 3886 1 7 . 1 1 29 29 LEU N N 319 120.206 120.206 118.383 1.823 17490 3887 1 7 . 1 1 29 29 LEU HA H 319 4.674 4.674 4.569 0.105 17490 3888 1 7 . 1 1 29 29 LEU C C 319 176.806 176.806 176.267 0.539 17490 3889 1 7 . 1 1 29 29 LEU CA C 319 52.817 52.817 53.489 -0.672 17490 3890 1 7 . 1 1 29 29 LEU CB C 319 45.029 45.029 43.552 1.477 17490 3891 1 7 . 1 1 29 29 LEU H H 319 8.365 8.365 7.322 1.043 17490 3892 1 7 . 1 1 30 30 SER N N 320 117.220 117.220 117.470 -0.250 17490 3893 1 7 . 1 1 30 30 SER HA H 320 4.475 4.475 4.356 0.119 17490 3894 1 7 . 1 1 30 30 SER C C 320 174.677 174.677 175.166 -0.489 17490 3895 1 7 . 1 1 30 30 SER CA C 320 57.768 57.768 58.717 -0.949 17490 3896 1 7 . 1 1 30 30 SER CB C 320 64.118 64.118 63.773 0.345 17490 3897 1 7 . 1 1 30 30 SER H H 320 8.652 8.652 8.357 0.295 17490 3898 1 7 . 1 1 31 31 ASP N N 321 121.514 121.514 119.197 2.317 17490 3899 1 7 . 1 1 31 31 ASP HA H 321 4.471 4.471 4.571 -0.100 17490 3900 1 7 . 1 1 31 31 ASP C C 321 176.811 176.811 176.165 0.646 17490 3901 1 7 . 1 1 31 31 ASP CA C 321 55.388 55.388 55.278 0.110 17490 3902 1 7 . 1 1 31 31 ASP CB C 321 40.060 40.060 40.896 -0.836 17490 3903 1 7 . 1 1 31 31 ASP H H 321 8.587 8.587 8.757 -0.170 17490 3904 1 7 . 1 1 32 32 LYS N N 322 117.990 117.990 119.759 -1.769 17490 3905 1 7 . 1 1 32 32 LYS HA H 322 4.331 4.331 4.466 -0.135 17490 3906 1 7 . 1 1 32 32 LYS C C 322 176.804 176.804 175.236 1.568 17490 3907 1 7 . 1 1 32 32 LYS CA C 322 55.545 55.545 56.018 -0.473 17490 3908 1 7 . 1 1 32 32 LYS CB C 322 31.942 31.942 32.221 -0.279 17490 3909 1 7 . 1 1 32 32 LYS H H 322 8.053 8.053 8.161 -0.108 17490 3910 1 7 . 1 1 33 33 VAL N N 323 119.570 119.570 116.094 3.476 17490 3911 1 7 . 1 1 33 33 VAL HA H 323 3.922 3.922 4.286 -0.364 17490 3912 1 7 . 1 1 33 33 VAL C C 323 173.362 173.362 174.777 -1.415 17490 3913 1 7 . 1 1 33 33 VAL CA C 323 63.294 63.294 60.090 3.204 17490 3914 1 7 . 1 1 33 33 VAL CB C 323 32.410 32.410 33.691 -1.281 17490 3915 1 7 . 1 1 33 33 VAL H H 323 7.333 7.333 7.589 -0.256 17490 3916 1 7 . 1 1 34 34 SER N N 324 118.908 118.908 115.334 3.574 17490 3917 1 7 . 1 1 34 34 SER HA H 324 5.104 5.104 4.865 0.239 17490 3918 1 7 . 1 1 34 34 SER CA C 324 55.114 55.114 56.114 -1.000 17490 3919 1 7 . 1 1 34 34 SER CB C 324 64.522 64.522 64.133 0.389 17490 3920 1 7 . 1 1 34 34 SER H H 324 7.099 7.099 7.794 -0.695 17490 3921 1 7 . 1 1 35 35 PRO HA H 325 4.038 4.038 4.190 -0.152 17490 3922 1 7 . 1 1 35 35 PRO C C 325 178.107 178.107 178.574 -0.467 17490 3923 1 7 . 1 1 35 35 PRO CA C 325 66.275 66.275 65.746 0.529 17490 3924 1 7 . 1 1 35 35 PRO CB C 325 31.873 31.873 31.984 -0.111 17490 3925 1 7 . 1 1 36 36 SER N N 326 111.480 111.480 114.084 -2.604 17490 3926 1 7 . 1 1 36 36 SER HA H 326 4.179 4.179 4.231 -0.052 17490 3927 1 7 . 1 1 36 36 SER C C 326 176.897 176.897 176.608 0.289 17490 3928 1 7 . 1 1 36 36 SER CA C 326 61.731 61.731 61.254 0.477 17490 3929 1 7 . 1 1 36 36 SER CB C 326 62.211 62.211 62.521 -0.310 17490 3930 1 7 . 1 1 36 36 SER H H 326 8.172 8.172 8.303 -0.131 17490 3931 1 7 . 1 1 37 37 LEU N N 327 123.898 123.898 122.548 1.350 17490 3932 1 7 . 1 1 37 37 LEU HA H 327 4.311 4.311 4.053 0.258 17490 3933 1 7 . 1 1 37 37 LEU C C 327 180.292 180.292 178.895 1.397 17490 3934 1 7 . 1 1 37 37 LEU CA C 327 57.921 57.921 57.725 0.196 17490 3935 1 7 . 1 1 37 37 LEU CB C 327 42.694 42.694 41.529 1.165 17490 3936 1 7 . 1 1 37 37 LEU H H 327 7.751 7.751 8.059 -0.308 17490 3937 1 7 . 1 1 38 38 ILE N N 328 119.411 119.411 120.459 -1.048 17490 3938 1 7 . 1 1 38 38 ILE HA H 328 3.627 3.627 3.733 -0.106 17490 3939 1 7 . 1 1 38 38 ILE C C 328 176.884 176.884 178.137 -1.253 17490 3940 1 7 . 1 1 38 38 ILE CA C 328 65.153 65.153 65.296 -0.143 17490 3941 1 7 . 1 1 38 38 ILE CB C 328 37.446 37.446 38.265 -0.819 17490 3942 1 7 . 1 1 38 38 ILE H H 328 7.636 7.636 7.815 -0.179 17490 3943 1 7 . 1 1 39 39 CYS N N 329 120.430 120.430 118.255 2.175 17490 3944 1 7 . 1 1 39 39 CYS HA H 329 3.743 3.743 3.927 -0.184 17490 3945 1 7 . 1 1 39 39 CYS C C 329 176.205 176.205 176.891 -0.686 17490 3946 1 7 . 1 1 39 39 CYS CA C 329 63.564 63.564 64.150 -0.585 17490 3947 1 7 . 1 1 39 39 CYS CB C 329 26.285 26.285 27.586 -1.301 17490 3948 1 7 . 1 1 39 39 CYS H H 329 8.640 8.640 7.667 0.973 17490 3949 1 7 . 1 1 40 40 GLN N N 330 118.263 118.263 119.309 -1.046 17490 3950 1 7 . 1 1 40 40 GLN HA H 330 4.099 4.099 3.954 0.145 17490 3951 1 7 . 1 1 40 40 GLN C C 330 177.445 177.445 178.680 -1.235 17490 3952 1 7 . 1 1 40 40 GLN CA C 330 59.496 59.496 58.571 0.925 17490 3953 1 7 . 1 1 40 40 GLN CB C 330 28.469 28.469 28.069 0.400 17490 3954 1 7 . 1 1 40 40 GLN H H 330 8.213 8.213 8.075 0.138 17490 3955 1 7 . 1 1 41 41 PHE N N 331 121.411 121.411 120.440 0.971 17490 3956 1 7 . 1 1 41 41 PHE HA H 331 4.661 4.661 4.209 0.452 17490 3957 1 7 . 1 1 41 41 PHE C C 331 177.475 177.475 177.380 0.095 17490 3958 1 7 . 1 1 41 41 PHE CA C 331 60.181 60.181 60.910 -0.729 17490 3959 1 7 . 1 1 41 41 PHE CB C 331 39.561 39.561 38.936 0.625 17490 3960 1 7 . 1 1 41 41 PHE H H 331 7.806 7.806 8.099 -0.293 17490 3961 1 7 . 1 1 42 42 LEU N N 332 119.016 119.016 119.942 -0.926 17490 3962 1 7 . 1 1 42 42 LEU HA H 332 3.508 3.508 3.592 -0.084 17490 3963 1 7 . 1 1 42 42 LEU C C 332 178.495 178.495 179.008 -0.513 17490 3964 1 7 . 1 1 42 42 LEU CA C 332 57.545 57.545 57.854 -0.309 17490 3965 1 7 . 1 1 42 42 LEU CB C 332 40.880 40.880 41.531 -0.651 17490 3966 1 7 . 1 1 42 42 LEU H H 332 8.436 8.436 7.895 0.541 17490 3967 1 7 . 1 1 43 43 GLN N N 333 116.210 116.210 116.538 -0.328 17490 3968 1 7 . 1 1 43 43 GLN HA H 333 4.590 4.590 4.118 0.472 17490 3969 1 7 . 1 1 43 43 GLN C C 333 178.499 178.499 178.652 -0.153 17490 3970 1 7 . 1 1 43 43 GLN CA C 333 58.875 58.875 58.824 0.051 17490 3971 1 7 . 1 1 43 43 GLN CB C 333 30.846 30.846 28.305 2.541 17490 3972 1 7 . 1 1 43 43 GLN H H 333 8.236 8.236 8.689 -0.453 17490 3973 1 7 . 1 1 44 44 GLU N N 334 117.050 117.050 119.856 -2.806 17490 3974 1 7 . 1 1 44 44 GLU HA H 334 4.116 4.116 4.191 -0.075 17490 3975 1 7 . 1 1 44 44 GLU C C 334 177.407 177.407 177.903 -0.496 17490 3976 1 7 . 1 1 44 44 GLU CA C 334 58.756 58.756 59.071 -0.315 17490 3977 1 7 . 1 1 44 44 GLU CB C 334 30.518 30.518 29.848 0.670 17490 3978 1 7 . 1 1 44 44 GLU H H 334 8.926 8.926 8.157 0.769 17490 3979 1 7 . 1 1 45 45 GLU N N 335 114.950 114.950 117.495 -2.545 17490 3980 1 7 . 1 1 45 45 GLU HA H 335 4.354 4.354 4.255 0.099 17490 3981 1 7 . 1 1 45 45 GLU C C 335 176.873 176.873 178.487 -1.614 17490 3982 1 7 . 1 1 45 45 GLU CA C 335 57.018 57.018 57.208 -0.190 17490 3983 1 7 . 1 1 45 45 GLU CB C 335 29.537 29.537 30.983 -1.446 17490 3984 1 7 . 1 1 45 45 GLU H H 335 8.054 8.054 7.922 0.132 17490 3985 1 7 . 1 1 46 46 ILE N N 336 115.649 115.649 116.236 -0.587 17490 3986 1 7 . 1 1 46 46 ILE HA H 336 3.895 3.895 4.173 -0.278 17490 3987 1 7 . 1 1 46 46 ILE C C 336 175.873 175.873 176.204 -0.331 17490 3988 1 7 . 1 1 46 46 ILE CA C 336 58.097 58.097 61.111 -3.014 17490 3989 1 7 . 1 1 46 46 ILE CB C 336 35.077 35.077 37.538 -2.461 17490 3990 1 7 . 1 1 46 46 ILE H H 336 6.749 6.749 7.693 -0.944 17490 3991 1 7 . 1 1 47 47 HIS N N 337 111.685 111.685 116.756 -5.071 17490 3992 1 7 . 1 1 47 47 HIS HA H 337 4.520 4.520 4.290 0.230 17490 3993 1 7 . 1 1 47 47 HIS C C 337 174.787 174.787 173.893 0.894 17490 3994 1 7 . 1 1 47 47 HIS CA C 337 56.387 56.387 56.362 0.025 17490 3995 1 7 . 1 1 47 47 HIS CB C 337 24.947 24.947 28.136 -3.189 17490 3996 1 7 . 1 1 47 47 HIS H H 337 6.652 6.652 7.686 -1.034 17490 3997 1 7 . 1 1 48 48 ILE N N 338 118.069 118.069 119.931 -1.862 17490 3998 1 7 . 1 1 48 48 ILE HA H 338 4.433 4.433 3.998 0.435 17490 3999 1 7 . 1 1 48 48 ILE C C 338 175.031 175.031 175.497 -0.466 17490 4000 1 7 . 1 1 48 48 ILE CA C 338 60.737 60.737 62.063 -1.327 17490 4001 1 7 . 1 1 48 48 ILE CB C 338 38.861 38.861 37.812 1.050 17490 4002 1 7 . 1 1 48 48 ILE H H 338 7.963 7.963 7.478 0.485 17490 4003 1 7 . 1 1 49 49 ASN N N 339 123.991 123.991 124.752 -0.761 17490 4004 1 7 . 1 1 49 49 ASN HA H 339 4.691 4.691 4.879 -0.188 17490 4005 1 7 . 1 1 49 49 ASN C C 339 176.381 176.381 175.921 0.460 17490 4006 1 7 . 1 1 49 49 ASN CA C 339 53.296 53.296 51.788 1.508 17490 4007 1 7 . 1 1 49 49 ASN CB C 339 40.570 40.570 39.659 0.911 17490 4008 1 7 . 1 1 49 49 ASN H H 339 9.222 9.222 7.620 1.602 17490 4009 1 7 . 1 1 50 50 GLU N N 340 125.549 125.549 117.248 8.301 17490 4010 1 7 . 1 1 50 50 GLU HA H 340 3.792 3.792 3.995 -0.203 17490 4011 1 7 . 1 1 50 50 GLU C C 340 177.988 177.988 176.801 1.187 17490 4012 1 7 . 1 1 50 50 GLU CA C 340 59.807 59.807 59.098 0.709 17490 4013 1 7 . 1 1 50 50 GLU CB C 340 29.143 29.143 29.454 -0.311 17490 4014 1 7 . 1 1 50 50 GLU H H 340 8.971 8.971 8.763 0.208 17490 4015 1 7 . 1 1 51 51 LYS N N 341 116.019 116.019 115.432 0.587 17490 4016 1 7 . 1 1 51 51 LYS HA H 341 4.117 4.117 4.344 -0.227 17490 4017 1 7 . 1 1 51 51 LYS C C 341 177.283 177.283 176.079 1.204 17490 4018 1 7 . 1 1 51 51 LYS CA C 341 57.718 57.718 56.659 1.059 17490 4019 1 7 . 1 1 51 51 LYS CB C 341 31.650 31.650 32.365 -0.715 17490 4020 1 7 . 1 1 51 51 LYS H H 341 8.424 8.424 7.837 0.587 17490 4021 1 7 . 1 1 52 52 ASP N N 342 117.576 117.576 119.170 -1.594 17490 4022 1 7 . 1 1 52 52 ASP HA H 342 4.444 4.444 4.770 -0.326 17490 4023 1 7 . 1 1 52 52 ASP C C 342 175.454 175.454 175.079 0.375 17490 4024 1 7 . 1 1 52 52 ASP CA C 342 56.002 56.002 56.125 -0.123 17490 4025 1 7 . 1 1 52 52 ASP CB C 342 41.937 41.937 44.093 -2.156 17490 4026 1 7 . 1 1 52 52 ASP H H 342 7.908 7.908 7.554 0.354 17490 4027 1 7 . 1 1 53 53 ILE N N 343 120.515 120.515 120.015 0.500 17490 4028 1 7 . 1 1 53 53 ILE HA H 343 3.875 3.875 4.081 -0.206 17490 4029 1 7 . 1 1 53 53 ILE C C 343 174.966 174.966 175.330 -0.364 17490 4030 1 7 . 1 1 53 53 ILE CA C 343 61.101 61.101 61.052 0.049 17490 4031 1 7 . 1 1 53 53 ILE CB C 343 39.931 39.931 39.277 0.654 17490 4032 1 7 . 1 1 53 53 ILE H H 343 7.480 7.480 8.086 -0.606 17490 4033 1 7 . 1 1 54 54 ARG N N 344 125.353 125.353 126.263 -0.910 17490 4034 1 7 . 1 1 54 54 ARG HA H 344 4.291 4.291 4.243 0.048 17490 4035 1 7 . 1 1 54 54 ARG C C 344 176.642 176.642 176.633 0.009 17490 4036 1 7 . 1 1 54 54 ARG CA C 344 57.550 57.550 58.032 -0.482 17490 4037 1 7 . 1 1 54 54 ARG CB C 344 30.848 30.848 31.442 -0.594 17490 4038 1 7 . 1 1 54 54 ARG H H 344 9.063 9.063 8.930 0.134 17490 4039 1 7 . 1 1 55 55 LYS N N 345 116.212 116.212 117.158 -0.946 17490 4040 1 7 . 1 1 55 55 LYS HA H 345 4.417 4.417 4.447 -0.030 17490 4041 1 7 . 1 1 55 55 LYS C C 345 173.004 173.004 173.849 -0.845 17490 4042 1 7 . 1 1 55 55 LYS CA C 345 55.873 55.873 55.937 -0.064 17490 4043 1 7 . 1 1 55 55 LYS CB C 345 36.582 36.582 36.422 0.160 17490 4044 1 7 . 1 1 55 55 LYS H H 345 7.569 7.569 7.531 0.038 17490 4045 1 7 . 1 1 56 56 ILE N N 346 122.685 122.685 124.398 -1.713 17490 4046 1 7 . 1 1 56 56 ILE HA H 346 4.731 4.731 5.086 -0.355 17490 4047 1 7 . 1 1 56 56 ILE C C 346 174.163 174.163 173.635 0.528 17490 4048 1 7 . 1 1 56 56 ILE CA C 346 60.843 60.843 59.450 1.393 17490 4049 1 7 . 1 1 56 56 ILE CB C 346 40.816 40.816 40.297 0.519 17490 4050 1 7 . 1 1 56 56 ILE H H 346 8.229 8.229 8.388 -0.159 17490 4051 1 7 . 1 1 57 57 LEU N N 347 126.095 126.095 128.942 -2.847 17490 4052 1 7 . 1 1 57 57 LEU HA H 347 4.775 4.775 4.740 0.035 17490 4053 1 7 . 1 1 57 57 LEU C C 347 175.764 175.764 175.196 0.568 17490 4054 1 7 . 1 1 57 57 LEU CA C 347 52.746 52.746 53.624 -0.878 17490 4055 1 7 . 1 1 57 57 LEU CB C 347 45.364 45.364 45.761 -0.397 17490 4056 1 7 . 1 1 57 57 LEU H H 347 9.279 9.279 8.786 0.493 17490 4057 1 7 . 1 1 58 58 LEU N N 348 122.946 122.946 122.076 0.870 17490 4058 1 7 . 1 1 58 58 LEU HA H 348 4.338 4.338 4.494 -0.156 17490 4059 1 7 . 1 1 58 58 LEU C C 348 176.476 176.476 176.114 0.362 17490 4060 1 7 . 1 1 58 58 LEU CA C 348 55.221 55.221 53.765 1.456 17490 4061 1 7 . 1 1 58 58 LEU CB C 348 41.496 41.496 41.496 0.000 17490 4062 1 7 . 1 1 58 58 LEU H H 348 8.925 8.925 8.732 0.193 17490 4063 1 7 . 1 1 59 59 VAL N N 349 123.378 123.378 125.670 -2.292 17490 4064 1 7 . 1 1 59 59 VAL HA H 349 4.385 4.385 4.375 0.010 17490 4065 1 7 . 1 1 59 59 VAL C C 349 176.335 176.335 175.219 1.116 17490 4066 1 7 . 1 1 59 59 VAL CA C 349 59.595 59.595 61.921 -2.326 17490 4067 1 7 . 1 1 59 59 VAL CB C 349 31.100 31.100 31.041 0.059 17490 4068 1 7 . 1 1 59 59 VAL H H 349 8.637 8.637 7.989 0.648 17490 4069 1 7 . 1 1 60 60 SER N N 350 124.152 124.152 118.841 5.311 17490 4070 1 7 . 1 1 60 60 SER HA H 350 3.907 3.907 4.573 -0.666 17490 4071 1 7 . 1 1 60 60 SER C C 350 177.518 177.518 174.484 3.034 17490 4072 1 7 . 1 1 60 60 SER CA C 350 62.261 62.261 58.884 3.377 17490 4073 1 7 . 1 1 60 60 SER CB C 350 62.301 62.301 63.478 -1.177 17490 4074 1 7 . 1 1 60 60 SER H H 350 8.755 8.755 8.455 0.300 17490 4075 1 7 . 1 1 61 61 ASP N N 351 119.224 119.224 120.785 -1.561 17490 4076 1 7 . 1 1 61 61 ASP HA H 351 3.964 3.964 4.613 -0.649 17490 4077 1 7 . 1 1 61 61 ASP C C 351 174.721 174.721 173.641 1.080 17490 4078 1 7 . 1 1 61 61 ASP CA C 351 56.162 56.162 53.029 3.133 17490 4079 1 7 . 1 1 61 61 ASP CB C 351 40.102 40.102 40.203 -0.101 17490 4080 1 7 . 1 1 61 61 ASP H H 351 9.011 9.011 7.993 1.018 17490 4081 1 7 . 1 1 62 62 PHE N N 352 110.179 110.179 112.604 -2.425 17490 4082 1 7 . 1 1 62 62 PHE HA H 352 3.983 3.983 4.512 -0.529 17490 4083 1 7 . 1 1 62 62 PHE C C 352 173.268 173.268 173.465 -0.197 17490 4084 1 7 . 1 1 62 62 PHE CA C 352 56.221 56.221 55.296 0.925 17490 4085 1 7 . 1 1 62 62 PHE CB C 352 39.789 39.789 36.748 3.041 17490 4086 1 7 . 1 1 62 62 PHE H H 352 6.702 6.702 7.361 -0.659 17490 4087 1 7 . 1 1 63 63 ASN N N 353 114.980 114.980 118.733 -3.753 17490 4088 1 7 . 1 1 63 63 ASN HA H 353 4.665 4.665 4.337 0.328 17490 4089 1 7 . 1 1 63 63 ASN C C 353 174.360 174.360 174.376 -0.016 17490 4090 1 7 . 1 1 63 63 ASN CA C 353 54.158 54.158 54.459 -0.301 17490 4091 1 7 . 1 1 63 63 ASN CB C 353 37.889 37.889 37.496 0.393 17490 4092 1 7 . 1 1 63 63 ASN H H 353 7.708 7.708 8.448 -0.740 17490 4093 1 7 . 1 1 64 64 GLY N N 354 102.117 102.117 106.335 -4.218 17490 4094 1 7 . 1 1 64 64 GLY C C 354 173.093 173.093 171.573 1.520 17490 4095 1 7 . 1 1 64 64 GLY CA C 354 45.413 45.413 45.107 0.306 17490 4096 1 7 . 1 1 64 64 GLY H H 354 7.722 7.722 8.176 -0.454 17490 4097 1 7 . 1 1 65 65 ALA N N 355 120.262 120.262 121.372 -1.110 17490 4098 1 7 . 1 1 65 65 ALA HA H 355 5.055 5.055 4.860 0.195 17490 4099 1 7 . 1 1 65 65 ALA C C 355 174.731 174.731 174.663 0.068 17490 4100 1 7 . 1 1 65 65 ALA CA C 355 51.429 51.429 51.190 0.239 17490 4101 1 7 . 1 1 65 65 ALA CB C 355 22.924 22.924 22.362 0.562 17490 4102 1 7 . 1 1 65 65 ALA H H 355 8.785 8.785 8.470 0.315 17490 4103 1 7 . 1 1 66 66 ILE N N 356 121.244 121.244 125.561 -4.317 17490 4104 1 7 . 1 1 66 66 ILE HA H 356 4.711 4.711 4.917 -0.206 17490 4105 1 7 . 1 1 66 66 ILE C C 356 174.154 174.154 173.574 0.580 17490 4106 1 7 . 1 1 66 66 ILE CA C 356 60.570 60.570 59.741 0.829 17490 4107 1 7 . 1 1 66 66 ILE CB C 356 41.943 41.943 39.774 2.169 17490 4108 1 7 . 1 1 66 66 ILE H H 356 9.390 9.390 8.252 1.138 17490 4109 1 7 . 1 1 67 67 ILE N N 357 127.255 127.255 129.823 -2.568 17490 4110 1 7 . 1 1 67 67 ILE HA H 357 4.433 4.433 4.720 -0.287 17490 4111 1 7 . 1 1 67 67 ILE C C 357 174.004 174.004 174.543 -0.539 17490 4112 1 7 . 1 1 67 67 ILE CA C 357 59.826 59.826 59.902 -0.076 17490 4113 1 7 . 1 1 67 67 ILE CB C 357 38.965 38.965 42.046 -3.081 17490 4114 1 7 . 1 1 67 67 ILE H H 357 9.291 9.291 8.662 0.629 17490 4115 1 7 . 1 1 68 68 ILE N N 358 124.623 124.623 128.021 -3.398 17490 4116 1 7 . 1 1 68 68 ILE HA H 358 4.293 4.293 4.421 -0.128 17490 4117 1 7 . 1 1 68 68 ILE C C 358 176.052 176.052 175.019 1.033 17490 4118 1 7 . 1 1 68 68 ILE CA C 358 61.079 61.079 60.359 0.720 17490 4119 1 7 . 1 1 68 68 ILE CB C 358 38.373 38.373 37.460 0.913 17490 4120 1 7 . 1 1 68 68 ILE H H 358 8.681 8.681 8.299 0.382 17490 4121 1 7 . 1 1 69 69 PHE N N 359 126.100 126.100 124.819 1.281 17490 4122 1 7 . 1 1 69 69 PHE HA H 359 5.130 5.130 4.721 0.409 17490 4123 1 7 . 1 1 69 69 PHE C C 359 175.355 175.355 177.326 -1.971 17490 4124 1 7 . 1 1 69 69 PHE CA C 359 58.156 58.156 59.260 -1.104 17490 4125 1 7 . 1 1 69 69 PHE CB C 359 41.592 41.592 39.274 2.318 17490 4126 1 7 . 1 1 69 69 PHE H H 359 9.086 9.086 8.367 0.719 17490 4127 1 7 . 1 1 70 70 ARG N N 360 115.935 115.935 118.827 -2.892 17490 4128 1 7 . 1 1 70 70 ARG HA H 360 4.068 4.068 4.126 -0.058 17490 4129 1 7 . 1 1 70 70 ARG C C 360 175.099 175.099 175.592 -0.493 17490 4130 1 7 . 1 1 70 70 ARG CA C 360 58.594 58.594 58.705 -0.111 17490 4131 1 7 . 1 1 70 70 ARG CB C 360 30.664 30.664 30.781 -0.117 17490 4132 1 7 . 1 1 70 70 ARG H H 360 8.268 8.268 8.324 -0.056 17490 4133 1 7 . 1 1 71 71 ASP N N 361 113.892 113.892 114.713 -0.821 17490 4134 1 7 . 1 1 71 71 ASP HA H 361 4.880 4.880 4.710 0.170 17490 4135 1 7 . 1 1 71 71 ASP C C 361 176.087 176.087 176.480 -0.393 17490 4136 1 7 . 1 1 71 71 ASP CA C 361 53.329 53.329 53.166 0.163 17490 4137 1 7 . 1 1 71 71 ASP CB C 361 44.131 44.131 43.589 0.542 17490 4138 1 7 . 1 1 71 71 ASP H H 361 7.673 7.673 7.797 -0.124 17490 4139 1 7 . 1 1 72 72 SER N N 362 118.590 118.590 118.327 0.263 17490 4140 1 7 . 1 1 72 72 SER HA H 362 4.310 4.310 4.394 -0.084 17490 4141 1 7 . 1 1 72 72 SER C C 362 176.600 176.600 176.327 0.273 17490 4142 1 7 . 1 1 72 72 SER CA C 362 60.739 60.739 61.130 -0.391 17490 4143 1 7 . 1 1 72 72 SER CB C 362 62.872 62.872 63.383 -0.510 17490 4144 1 7 . 1 1 72 72 SER H H 362 9.103 9.103 8.815 0.288 17490 4145 1 7 . 1 1 73 73 LYS N N 363 125.872 125.872 122.002 3.870 17490 4146 1 7 . 1 1 73 73 LYS HA H 363 4.134 4.134 4.054 0.080 17490 4147 1 7 . 1 1 73 73 LYS C C 363 179.386 179.386 178.470 0.916 17490 4148 1 7 . 1 1 73 73 LYS CA C 363 59.283 59.283 59.139 0.144 17490 4149 1 7 . 1 1 73 73 LYS CB C 363 31.491 31.491 32.167 -0.676 17490 4150 1 7 . 1 1 73 73 LYS H H 363 8.332 8.332 8.998 -0.666 17490 4151 1 7 . 1 1 74 74 PHE N N 364 123.145 123.145 118.793 4.352 17490 4152 1 7 . 1 1 74 74 PHE HA H 364 3.968 3.968 4.306 -0.338 17490 4153 1 7 . 1 1 74 74 PHE C C 364 177.819 177.819 176.597 1.222 17490 4154 1 7 . 1 1 74 74 PHE CA C 364 61.588 61.588 59.383 2.205 17490 4155 1 7 . 1 1 74 74 PHE CB C 364 39.963 39.963 38.759 1.204 17490 4156 1 7 . 1 1 74 74 PHE H H 364 8.482 8.482 7.936 0.546 17490 4157 1 7 . 1 1 75 75 ALA N N 365 119.451 119.451 122.727 -3.276 17490 4158 1 7 . 1 1 75 75 ALA HA H 365 3.396 3.396 3.557 -0.161 17490 4159 1 7 . 1 1 75 75 ALA C C 365 178.100 178.100 179.130 -1.030 17490 4160 1 7 . 1 1 75 75 ALA CA C 365 55.584 55.584 55.131 0.453 17490 4161 1 7 . 1 1 75 75 ALA CB C 365 18.265 18.265 17.862 0.403 17490 4162 1 7 . 1 1 75 75 ALA H H 365 7.835 7.835 7.987 -0.151 17490 4163 1 7 . 1 1 76 76 ALA N N 366 117.626 117.626 120.032 -2.406 17490 4164 1 7 . 1 1 76 76 ALA HA H 366 4.033 4.033 4.034 -0.001 17490 4165 1 7 . 1 1 76 76 ALA C C 366 180.569 180.569 179.251 1.318 17490 4166 1 7 . 1 1 76 76 ALA CA C 366 54.996 54.996 54.709 0.287 17490 4167 1 7 . 1 1 76 76 ALA CB C 366 18.040 18.040 18.193 -0.153 17490 4168 1 7 . 1 1 76 76 ALA H H 366 7.680 7.680 7.712 -0.032 17490 4169 1 7 . 1 1 77 77 LYS N N 367 118.273 118.273 119.802 -1.529 17490 4170 1 7 . 1 1 77 77 LYS HA H 367 3.998 3.998 3.997 0.001 17490 4171 1 7 . 1 1 77 77 LYS C C 367 178.964 178.964 178.509 0.455 17490 4172 1 7 . 1 1 77 77 LYS CA C 367 58.803 58.803 59.007 -0.204 17490 4173 1 7 . 1 1 77 77 LYS CB C 367 32.106 32.106 32.426 -0.320 17490 4174 1 7 . 1 1 77 77 LYS H H 367 7.302 7.302 7.759 -0.457 17490 4175 1 7 . 1 1 78 78 MET N N 368 117.578 117.578 117.953 -0.375 17490 4176 1 7 . 1 1 78 78 MET HA H 368 4.273 4.273 4.098 0.175 17490 4177 1 7 . 1 1 78 78 MET C C 368 178.167 178.167 178.011 0.156 17490 4178 1 7 . 1 1 78 78 MET CA C 368 55.734 55.734 55.427 0.307 17490 4179 1 7 . 1 1 78 78 MET CB C 368 32.382 32.382 31.408 0.974 17490 4180 1 7 . 1 1 78 78 MET H H 368 7.785 7.785 7.757 0.028 17490 4181 1 7 . 1 1 79 79 LEU N N 369 120.984 120.984 123.473 -2.489 17490 4182 1 7 . 1 1 79 79 LEU HA H 369 3.786 3.786 3.940 -0.154 17490 4183 1 7 . 1 1 79 79 LEU C C 369 179.060 179.060 178.435 0.625 17490 4184 1 7 . 1 1 79 79 LEU CA C 369 59.377 59.377 58.577 0.800 17490 4185 1 7 . 1 1 79 79 LEU CB C 369 42.354 42.354 41.977 0.377 17490 4186 1 7 . 1 1 79 79 LEU H H 369 8.197 8.197 7.771 0.426 17490 4187 1 7 . 1 1 80 80 MET N N 370 114.071 114.071 115.243 -1.172 17490 4188 1 7 . 1 1 80 80 MET HA H 370 4.277 4.277 4.193 0.084 17490 4189 1 7 . 1 1 80 80 MET C C 370 178.184 178.184 177.957 0.227 17490 4190 1 7 . 1 1 80 80 MET CA C 370 57.627 57.627 57.612 0.015 17490 4191 1 7 . 1 1 80 80 MET CB C 370 32.543 32.543 32.050 0.493 17490 4192 1 7 . 1 1 80 80 MET H H 370 7.018 7.018 7.915 -0.897 17490 4193 1 7 . 1 1 81 81 ILE N N 371 118.056 118.056 116.257 1.799 17490 4194 1 7 . 1 1 81 81 ILE HA H 371 3.885 3.885 4.027 -0.142 17490 4195 1 7 . 1 1 81 81 ILE C C 371 177.491 177.491 177.674 -0.183 17490 4196 1 7 . 1 1 81 81 ILE CA C 371 63.571 63.571 61.883 1.688 17490 4197 1 7 . 1 1 81 81 ILE CB C 371 38.716 38.716 37.846 0.870 17490 4198 1 7 . 1 1 81 81 ILE H H 371 7.615 7.615 7.655 -0.040 17490 4199 1 7 . 1 1 82 82 LEU N N 372 116.858 116.858 120.165 -3.307 17490 4200 1 7 . 1 1 82 82 LEU HA H 372 4.100 4.100 4.373 -0.273 17490 4201 1 7 . 1 1 82 82 LEU C C 372 178.360 178.360 176.156 2.204 17490 4202 1 7 . 1 1 82 82 LEU CA C 372 55.929 55.929 55.824 0.105 17490 4203 1 7 . 1 1 82 82 LEU CB C 372 42.309 42.309 43.443 -1.134 17490 4204 1 7 . 1 1 82 82 LEU H H 372 8.160 8.160 8.020 0.140 17490 4205 1 7 . 1 1 83 83 ASN N N 373 117.015 117.015 116.547 0.468 17490 4206 1 7 . 1 1 83 83 ASN HA H 373 4.348 4.348 4.673 -0.325 17490 4207 1 7 . 1 1 83 83 ASN C C 373 175.671 175.671 174.825 0.846 17490 4208 1 7 . 1 1 83 83 ASN CA C 373 55.793 55.793 54.091 1.702 17490 4209 1 7 . 1 1 83 83 ASN CB C 373 38.434 38.434 38.869 -0.435 17490 4210 1 7 . 1 1 83 83 ASN H H 373 7.058 7.058 7.948 -0.890 17490 4211 1 7 . 1 1 84 84 GLY N N 374 116.878 116.878 112.321 4.557 17490 4212 1 7 . 1 1 84 84 GLY C C 374 174.602 174.602 173.828 0.774 17490 4213 1 7 . 1 1 84 84 GLY CA C 374 45.842 45.842 45.270 0.572 17490 4214 1 7 . 1 1 84 84 GLY H H 374 9.053 9.053 8.425 0.628 17490 4215 1 7 . 1 1 85 85 SER N N 375 116.615 116.615 116.112 0.503 17490 4216 1 7 . 1 1 85 85 SER HA H 375 4.407 4.407 4.784 -0.377 17490 4217 1 7 . 1 1 85 85 SER C C 375 171.580 171.580 173.595 -2.015 17490 4218 1 7 . 1 1 85 85 SER CA C 375 59.280 59.280 57.068 2.212 17490 4219 1 7 . 1 1 85 85 SER CB C 375 64.303 64.303 65.113 -0.810 17490 4220 1 7 . 1 1 85 85 SER H H 375 7.666 7.666 8.248 -0.582 17490 4221 1 7 . 1 1 86 86 GLN N N 376 117.824 117.824 119.176 -1.352 17490 4222 1 7 . 1 1 86 86 GLN HA H 376 4.893 4.893 5.280 -0.387 17490 4223 1 7 . 1 1 86 86 GLN C C 376 175.033 175.033 174.982 0.051 17490 4224 1 7 . 1 1 86 86 GLN CA C 376 54.885 54.885 55.050 -0.165 17490 4225 1 7 . 1 1 86 86 GLN CB C 376 30.733 30.733 32.704 -1.971 17490 4226 1 7 . 1 1 86 86 GLN H H 376 8.381 8.381 8.456 -0.075 17490 4227 1 7 . 1 1 87 87 PHE N N 377 124.095 124.095 123.399 0.696 17490 4228 1 7 . 1 1 87 87 PHE HA H 377 4.472 4.472 4.678 -0.206 17490 4229 1 7 . 1 1 87 87 PHE C C 377 174.760 174.760 174.370 0.390 17490 4230 1 7 . 1 1 87 87 PHE CA C 377 56.009 56.009 58.871 -2.862 17490 4231 1 7 . 1 1 87 87 PHE CB C 377 41.519 41.519 42.334 -0.815 17490 4232 1 7 . 1 1 87 87 PHE H H 377 8.974 8.974 9.037 -0.063 17490 4233 1 7 . 1 1 88 88 GLN N N 378 126.108 126.108 124.286 1.822 17490 4234 1 7 . 1 1 88 88 GLN HA H 378 3.505 3.505 3.783 -0.278 17490 4235 1 7 . 1 1 88 88 GLN C C 378 176.162 176.162 175.394 0.768 17490 4236 1 7 . 1 1 88 88 GLN CA C 378 56.570 56.570 56.832 -0.262 17490 4237 1 7 . 1 1 88 88 GLN CB C 378 26.070 26.070 27.058 -0.989 17490 4238 1 7 . 1 1 88 88 GLN H H 378 9.139 9.139 8.784 0.355 17490 4239 1 7 . 1 1 89 89 GLY N N 379 103.132 103.132 101.299 1.833 17490 4240 1 7 . 1 1 89 89 GLY C C 379 173.587 173.587 174.022 -0.435 17490 4241 1 7 . 1 1 89 89 GLY CA C 379 45.382 45.382 44.964 0.418 17490 4242 1 7 . 1 1 89 89 GLY H H 379 8.580 8.580 8.276 0.304 17490 4243 1 7 . 1 1 90 90 LYS N N 380 119.783 119.783 119.535 0.248 17490 4244 1 7 . 1 1 90 90 LYS HA H 380 4.697 4.697 4.742 -0.045 17490 4245 1 7 . 1 1 90 90 LYS C C 380 174.500 174.500 174.956 -0.456 17490 4246 1 7 . 1 1 90 90 LYS CA C 380 54.019 54.019 54.217 -0.197 17490 4247 1 7 . 1 1 90 90 LYS CB C 380 35.919 35.919 35.865 0.054 17490 4248 1 7 . 1 1 90 90 LYS H H 380 7.457 7.457 7.696 -0.239 17490 4249 1 7 . 1 1 91 91 VAL N N 381 121.517 121.517 121.766 -0.249 17490 4250 1 7 . 1 1 91 91 VAL HA H 381 4.294 4.294 4.762 -0.468 17490 4251 1 7 . 1 1 91 91 VAL C C 381 176.729 176.729 175.046 1.683 17490 4252 1 7 . 1 1 91 91 VAL CA C 381 63.176 63.176 61.521 1.655 17490 4253 1 7 . 1 1 91 91 VAL CB C 381 32.073 32.073 32.864 -0.791 17490 4254 1 7 . 1 1 91 91 VAL H H 381 8.256 8.256 8.396 -0.140 17490 4255 1 7 . 1 1 92 92 ILE N N 382 124.746 124.746 123.756 0.990 17490 4256 1 7 . 1 1 92 92 ILE HA H 382 4.533 4.533 4.818 -0.285 17490 4257 1 7 . 1 1 92 92 ILE C C 382 173.501 173.501 174.251 -0.750 17490 4258 1 7 . 1 1 92 92 ILE CA C 382 59.249 59.249 59.824 -0.575 17490 4259 1 7 . 1 1 92 92 ILE CB C 382 41.995 41.995 38.452 3.543 17490 4260 1 7 . 1 1 92 92 ILE H H 382 8.788 8.788 8.288 0.500 17490 4261 1 7 . 1 1 93 93 ARG N N 383 119.723 119.723 124.444 -4.721 17490 4262 1 7 . 1 1 93 93 ARG HA H 383 4.608 4.608 4.941 -0.333 17490 4263 1 7 . 1 1 93 93 ARG C C 383 173.979 173.979 174.316 -0.337 17490 4264 1 7 . 1 1 93 93 ARG CA C 383 53.178 53.178 53.985 -0.807 17490 4265 1 7 . 1 1 93 93 ARG CB C 383 31.724 31.724 33.932 -2.208 17490 4266 1 7 . 1 1 93 93 ARG H H 383 8.500 8.500 8.611 -0.111 17490 4267 1 7 . 1 1 94 94 SER N N 384 110.386 110.386 113.878 -3.492 17490 4268 1 7 . 1 1 94 94 SER HA H 384 5.685 5.685 5.120 0.565 17490 4269 1 7 . 1 1 94 94 SER C C 384 174.791 174.791 173.026 1.765 17490 4270 1 7 . 1 1 94 94 SER CA C 384 54.419 54.419 56.634 -2.215 17490 4271 1 7 . 1 1 94 94 SER CB C 384 67.147 67.147 66.327 0.820 17490 4272 1 7 . 1 1 94 94 SER H H 384 7.700 7.700 8.210 -0.510 17490 4273 1 7 . 1 1 95 95 GLY N N 385 106.738 106.738 105.588 1.150 17490 4274 1 7 . 1 1 95 95 GLY C C 385 171.619 171.619 172.313 -0.694 17490 4275 1 7 . 1 1 95 95 GLY CA C 385 45.904 45.904 45.943 -0.039 17490 4276 1 7 . 1 1 95 95 GLY H H 385 8.360 8.360 8.048 0.312 17490 4277 1 7 . 1 1 96 96 THR N N 386 111.493 111.493 112.070 -0.577 17490 4278 1 7 . 1 1 96 96 THR HA H 386 4.604 4.604 4.591 0.013 17490 4279 1 7 . 1 1 96 96 THR C C 386 175.600 175.600 175.800 -0.200 17490 4280 1 7 . 1 1 96 96 THR CA C 386 60.901 60.901 61.553 -0.652 17490 4281 1 7 . 1 1 96 96 THR CB C 386 71.709 71.709 70.850 0.859 17490 4282 1 7 . 1 1 96 96 THR H H 386 9.274 9.274 8.076 1.198 17490 4283 1 7 . 1 1 97 97 ILE N N 387 121.293 121.293 118.146 3.147 17490 4284 1 7 . 1 1 97 97 ILE HA H 387 3.881 3.881 3.947 -0.066 17490 4285 1 7 . 1 1 97 97 ILE C C 387 178.109 178.109 177.150 0.959 17490 4286 1 7 . 1 1 97 97 ILE CA C 387 65.826 65.826 64.022 1.804 17490 4287 1 7 . 1 1 97 97 ILE CB C 387 37.717 37.717 37.728 -0.011 17490 4288 1 7 . 1 1 97 97 ILE H H 387 9.339 9.339 8.008 1.331 17490 4289 1 7 . 1 1 98 98 ASN N N 388 117.358 117.358 118.606 -1.248 17490 4290 1 7 . 1 1 98 98 ASN HA H 388 4.224 4.224 4.326 -0.102 17490 4291 1 7 . 1 1 98 98 ASN C C 388 178.040 178.040 176.842 1.198 17490 4292 1 7 . 1 1 98 98 ASN CA C 388 56.205 56.205 56.375 -0.170 17490 4293 1 7 . 1 1 98 98 ASN CB C 388 37.719 37.719 38.343 -0.624 17490 4294 1 7 . 1 1 98 98 ASN H H 388 8.162 8.162 8.155 0.007 17490 4295 1 7 . 1 1 99 99 ASP N N 389 121.336 121.336 119.931 1.405 17490 4296 1 7 . 1 1 99 99 ASP HA H 389 4.236 4.236 4.044 0.192 17490 4297 1 7 . 1 1 99 99 ASP C C 389 177.813 177.813 177.425 0.388 17490 4298 1 7 . 1 1 99 99 ASP CA C 389 57.639 57.639 56.473 1.166 17490 4299 1 7 . 1 1 99 99 ASP CB C 389 40.497 40.497 40.420 0.077 17490 4300 1 7 . 1 1 99 99 ASP H H 389 7.865 7.865 8.286 -0.421 17490 4301 1 7 . 1 1 100 100 MET N N 390 122.932 122.932 117.321 5.611 17490 4302 1 7 . 1 1 100 100 MET HA H 390 4.499 4.499 3.329 1.170 17490 4303 1 7 . 1 1 100 100 MET C C 390 178.081 178.081 177.524 0.557 17490 4304 1 7 . 1 1 100 100 MET CA C 390 58.402 58.402 58.593 -0.191 17490 4305 1 7 . 1 1 100 100 MET CB C 390 32.263 32.263 32.283 -0.020 17490 4306 1 7 . 1 1 100 100 MET H H 390 7.874 7.874 7.263 0.611 17490 4307 1 7 . 1 1 101 101 LYS N N 391 118.764 118.764 120.391 -1.627 17490 4308 1 7 . 1 1 101 101 LYS HA H 391 3.484 3.484 4.189 -0.705 17490 4309 1 7 . 1 1 101 101 LYS C C 391 178.102 178.102 179.569 -1.467 17490 4310 1 7 . 1 1 101 101 LYS CA C 391 60.070 60.070 59.038 1.032 17490 4311 1 7 . 1 1 101 101 LYS CB C 391 32.468 32.468 31.680 0.788 17490 4312 1 7 . 1 1 101 101 LYS H H 391 7.994 7.994 7.854 0.140 17490 4313 1 7 . 1 1 102 102 ARG N N 392 118.974 118.974 119.780 -0.806 17490 4314 1 7 . 1 1 102 102 ARG HA H 392 3.971 3.971 4.119 -0.148 17490 4315 1 7 . 1 1 102 102 ARG C C 392 178.433 178.433 178.849 -0.416 17490 4316 1 7 . 1 1 102 102 ARG CA C 392 59.485 59.485 58.645 0.840 17490 4317 1 7 . 1 1 102 102 ARG CB C 392 30.282 30.282 29.734 0.548 17490 4318 1 7 . 1 1 102 102 ARG H H 392 8.088 8.088 7.923 0.165 17490 4319 1 7 . 1 1 103 103 TYR N N 393 119.904 119.904 119.652 0.252 17490 4320 1 7 . 1 1 103 103 TYR HA H 393 4.017 4.017 4.288 -0.271 17490 4321 1 7 . 1 1 103 103 TYR C C 393 177.819 177.819 178.690 -0.871 17490 4322 1 7 . 1 1 103 103 TYR CA C 393 61.926 61.926 58.894 3.032 17490 4323 1 7 . 1 1 103 103 TYR CB C 393 39.373 39.373 37.564 1.809 17490 4324 1 7 . 1 1 103 103 TYR H H 393 8.058 8.058 7.830 0.228 17490 4325 1 7 . 1 1 104 104 TYR N N 394 119.418 119.418 120.849 -1.431 17490 4326 1 7 . 1 1 104 104 TYR HA H 394 4.167 4.167 4.320 -0.153 17490 4327 1 7 . 1 1 104 104 TYR C C 394 177.920 177.920 177.219 0.701 17490 4328 1 7 . 1 1 104 104 TYR CA C 394 61.764 61.764 60.397 1.367 17490 4329 1 7 . 1 1 104 104 TYR CB C 394 39.162 39.162 38.269 0.893 17490 4330 1 7 . 1 1 104 104 TYR H H 394 7.846 7.846 8.872 -1.026 17490 4331 1 7 . 1 1 105 105 ASN N N 395 117.373 117.373 118.034 -0.661 17490 4332 1 7 . 1 1 105 105 ASN HA H 395 4.414 4.414 3.980 0.434 17490 4333 1 7 . 1 1 105 105 ASN C C 395 176.906 176.906 177.329 -0.423 17490 4334 1 7 . 1 1 105 105 ASN CA C 395 55.691 55.691 56.741 -1.050 17490 4335 1 7 . 1 1 105 105 ASN CB C 395 38.472 38.472 38.112 0.360 17490 4336 1 7 . 1 1 105 105 ASN H H 395 8.499 8.499 8.150 0.349 17490 4337 1 7 . 1 1 106 106 ASN N N 396 118.101 118.101 118.472 -0.371 17490 4338 1 7 . 1 1 106 106 ASN HA H 396 4.531 4.531 4.642 -0.111 17490 4339 1 7 . 1 1 106 106 ASN C C 396 176.450 176.450 177.425 -0.975 17490 4340 1 7 . 1 1 106 106 ASN CA C 396 54.775 54.775 55.208 -0.433 17490 4341 1 7 . 1 1 106 106 ASN CB C 396 38.543 38.543 38.576 -0.033 17490 4342 1 7 . 1 1 106 106 ASN H H 396 8.081 8.081 8.148 -0.067 17490 4343 1 7 . 1 1 107 107 GLN N N 397 118.903 118.903 118.629 0.274 17490 4344 1 7 . 1 1 107 107 GLN HA H 397 3.977 3.977 4.166 -0.189 17490 4345 1 7 . 1 1 107 107 GLN C C 397 176.907 176.907 178.234 -1.327 17490 4346 1 7 . 1 1 107 107 GLN CA C 397 56.815 56.815 58.086 -1.271 17490 4347 1 7 . 1 1 107 107 GLN CB C 397 28.610 28.610 28.864 -0.254 17490 4348 1 7 . 1 1 107 107 GLN H H 397 7.772 7.772 7.937 -0.165 17490 4349 1 7 . 1 1 108 108 GLN N N 398 118.101 118.101 117.149 0.952 17490 4350 1 7 . 1 1 108 108 GLN HA H 398 3.920 3.920 4.074 -0.154 17490 4351 1 7 . 1 1 108 108 GLN C C 398 176.321 176.321 176.487 -0.166 17490 4352 1 7 . 1 1 108 108 GLN CA C 398 56.554 56.554 58.073 -1.519 17490 4353 1 7 . 1 1 108 108 GLN CB C 398 28.650 28.650 29.477 -0.827 17490 4354 1 7 . 1 1 108 108 GLN H H 398 7.854 7.854 7.995 -0.141 17490 4355 1 8 . 1 1 3 3 LEU N N 293 125.082 125.082 125.485 -0.403 17490 4356 1 8 . 1 1 3 3 LEU HA H 293 4.292 4.292 4.821 -0.529 17490 4357 1 8 . 1 1 3 3 LEU C C 293 177.442 177.442 176.822 0.620 17490 4358 1 8 . 1 1 3 3 LEU CA C 293 55.523 55.523 54.686 0.837 17490 4359 1 8 . 1 1 3 3 LEU CB C 293 42.516 42.516 43.283 -0.767 17490 4360 1 8 . 1 1 3 3 LEU H H 293 8.321 8.321 8.672 -0.351 17490 4361 1 8 . 1 1 4 4 GLU N N 294 122.906 122.906 127.377 -4.471 17490 4362 1 8 . 1 1 4 4 GLU HA H 294 4.069 4.069 3.967 0.102 17490 4363 1 8 . 1 1 4 4 GLU C C 294 177.158 177.158 178.650 -1.492 17490 4364 1 8 . 1 1 4 4 GLU CA C 294 58.307 58.307 60.481 -2.174 17490 4365 1 8 . 1 1 4 4 GLU CB C 294 29.676 29.676 29.264 0.412 17490 4366 1 8 . 1 1 4 4 GLU H H 294 8.521 8.521 9.153 -0.632 17490 4367 1 8 . 1 1 5 5 ARG N N 295 120.270 120.270 116.711 3.559 17490 4368 1 8 . 1 1 5 5 ARG HA H 295 4.131 4.131 4.045 0.086 17490 4369 1 8 . 1 1 5 5 ARG C C 295 177.768 177.768 178.836 -1.068 17490 4370 1 8 . 1 1 5 5 ARG CA C 295 58.082 58.082 59.535 -1.452 17490 4371 1 8 . 1 1 5 5 ARG CB C 295 30.192 30.192 29.770 0.421 17490 4372 1 8 . 1 1 5 5 ARG H H 295 8.327 8.327 8.645 -0.318 17490 4373 1 8 . 1 1 6 6 ASN N N 296 118.639 118.639 118.467 0.172 17490 4374 1 8 . 1 1 6 6 ASN HA H 296 4.554 4.554 4.651 -0.097 17490 4375 1 8 . 1 1 6 6 ASN C C 296 176.830 176.830 176.995 -0.165 17490 4376 1 8 . 1 1 6 6 ASN CA C 296 54.901 54.901 56.045 -1.144 17490 4377 1 8 . 1 1 6 6 ASN CB C 296 38.115 38.115 38.544 -0.429 17490 4378 1 8 . 1 1 6 6 ASN H H 296 8.257 8.257 8.013 0.244 17490 4379 1 8 . 1 1 7 7 GLU N N 297 123.935 123.935 120.755 3.180 17490 4380 1 8 . 1 1 7 7 GLU HA H 297 4.266 4.266 4.083 0.183 17490 4381 1 8 . 1 1 7 7 GLU C C 297 178.102 178.102 179.245 -1.143 17490 4382 1 8 . 1 1 7 7 GLU CA C 297 58.897 58.897 59.592 -0.695 17490 4383 1 8 . 1 1 7 7 GLU CB C 297 29.814 29.814 29.552 0.262 17490 4384 1 8 . 1 1 7 7 GLU H H 297 8.185 8.185 8.300 -0.115 17490 4385 1 8 . 1 1 8 8 VAL N N 298 118.916 118.916 120.216 -1.300 17490 4386 1 8 . 1 1 8 8 VAL HA H 298 3.399 3.399 3.601 -0.202 17490 4387 1 8 . 1 1 8 8 VAL C C 298 177.131 177.131 177.926 -0.795 17490 4388 1 8 . 1 1 8 8 VAL CA C 298 67.619 67.619 66.261 1.358 17490 4389 1 8 . 1 1 8 8 VAL CB C 298 32.041 32.041 31.148 0.893 17490 4390 1 8 . 1 1 8 8 VAL H H 298 8.095 8.095 8.651 -0.556 17490 4391 1 8 . 1 1 9 9 LYS N N 299 117.791 117.791 119.506 -1.715 17490 4392 1 8 . 1 1 9 9 LYS HA H 299 3.804 3.804 3.975 -0.171 17490 4393 1 8 . 1 1 9 9 LYS C C 299 179.259 179.259 178.852 0.407 17490 4394 1 8 . 1 1 9 9 LYS CA C 299 59.806 59.806 59.628 0.178 17490 4395 1 8 . 1 1 9 9 LYS CB C 299 32.290 32.290 32.272 0.018 17490 4396 1 8 . 1 1 9 9 LYS H H 299 7.771 7.771 7.813 -0.042 17490 4397 1 8 . 1 1 10 10 ARG N N 300 119.032 119.032 119.015 0.017 17490 4398 1 8 . 1 1 10 10 ARG HA H 300 3.934 3.934 4.108 -0.174 17490 4399 1 8 . 1 1 10 10 ARG C C 300 179.680 179.680 179.012 0.668 17490 4400 1 8 . 1 1 10 10 ARG CA C 300 59.444 59.444 59.299 0.145 17490 4401 1 8 . 1 1 10 10 ARG CB C 300 30.190 30.190 30.100 0.090 17490 4402 1 8 . 1 1 10 10 ARG H H 300 7.834 7.834 8.186 -0.352 17490 4403 1 8 . 1 1 11 11 LEU N N 301 120.881 120.881 117.947 2.934 17490 4404 1 8 . 1 1 11 11 LEU HA H 301 3.890 3.890 4.165 -0.275 17490 4405 1 8 . 1 1 11 11 LEU C C 301 178.937 178.937 177.485 1.452 17490 4406 1 8 . 1 1 11 11 LEU CA C 301 58.067 58.067 56.627 1.440 17490 4407 1 8 . 1 1 11 11 LEU CB C 301 42.051 42.051 42.246 -0.195 17490 4408 1 8 . 1 1 11 11 LEU H H 301 8.147 8.147 7.847 0.300 17490 4409 1 8 . 1 1 12 12 LEU N N 302 116.294 116.294 117.340 -1.046 17490 4410 1 8 . 1 1 12 12 LEU HA H 302 3.874 3.874 4.107 -0.233 17490 4411 1 8 . 1 1 12 12 LEU C C 302 177.360 177.360 178.253 -0.893 17490 4412 1 8 . 1 1 12 12 LEU CA C 302 57.498 57.498 56.372 1.126 17490 4413 1 8 . 1 1 12 12 LEU CB C 302 41.506 41.506 42.477 -0.971 17490 4414 1 8 . 1 1 12 12 LEU H H 302 8.331 8.331 7.650 0.681 17490 4415 1 8 . 1 1 13 13 ALA N N 303 117.998 117.998 119.604 -1.606 17490 4416 1 8 . 1 1 13 13 ALA HA H 303 4.480 4.480 4.264 0.216 17490 4417 1 8 . 1 1 13 13 ALA C C 303 177.554 177.554 177.849 -0.295 17490 4418 1 8 . 1 1 13 13 ALA CA C 303 51.290 51.290 52.445 -1.155 17490 4419 1 8 . 1 1 13 13 ALA CB C 303 19.810 19.810 19.734 0.076 17490 4420 1 8 . 1 1 13 13 ALA H H 303 7.109 7.109 7.710 -0.601 17490 4421 1 8 . 1 1 14 14 SER N N 304 114.833 114.833 114.275 0.558 17490 4422 1 8 . 1 1 14 14 SER HA H 304 4.175 4.175 4.172 0.003 17490 4423 1 8 . 1 1 14 14 SER C C 304 175.762 175.762 174.992 0.770 17490 4424 1 8 . 1 1 14 14 SER CA C 304 59.344 59.344 58.599 0.745 17490 4425 1 8 . 1 1 14 14 SER CB C 304 63.704 63.704 63.760 -0.056 17490 4426 1 8 . 1 1 14 14 SER H H 304 7.265 7.265 7.803 -0.538 17490 4427 1 8 . 1 1 15 15 ARG N N 305 125.370 125.370 125.123 0.247 17490 4428 1 8 . 1 1 15 15 ARG HA H 305 4.555 4.555 4.282 0.273 17490 4429 1 8 . 1 1 15 15 ARG C C 305 175.442 175.442 176.399 -0.957 17490 4430 1 8 . 1 1 15 15 ARG CA C 305 54.847 54.847 55.960 -1.113 17490 4431 1 8 . 1 1 15 15 ARG CB C 305 30.415 30.415 30.367 0.048 17490 4432 1 8 . 1 1 15 15 ARG H H 305 8.872 8.872 8.602 0.270 17490 4433 1 8 . 1 1 16 16 ASN N N 306 120.536 120.536 119.671 0.865 17490 4434 1 8 . 1 1 16 16 ASN HA H 306 4.774 4.774 4.659 0.115 17490 4435 1 8 . 1 1 16 16 ASN C C 306 175.146 175.146 176.443 -1.297 17490 4436 1 8 . 1 1 16 16 ASN CA C 306 52.434 52.434 53.249 -0.816 17490 4437 1 8 . 1 1 16 16 ASN CB C 306 38.294 38.294 38.214 0.080 17490 4438 1 8 . 1 1 16 16 ASN H H 306 8.367 8.367 7.743 0.624 17490 4439 1 8 . 1 1 17 17 SER N N 307 121.694 121.694 122.904 -1.210 17490 4440 1 8 . 1 1 17 17 SER HA H 307 4.090 4.090 4.286 -0.196 17490 4441 1 8 . 1 1 17 17 SER C C 307 175.970 175.970 175.027 0.943 17490 4442 1 8 . 1 1 17 17 SER CA C 307 61.484 61.484 60.332 1.152 17490 4443 1 8 . 1 1 17 17 SER CB C 307 62.850 62.850 63.088 -0.238 17490 4444 1 8 . 1 1 17 17 SER H H 307 8.656 8.656 8.623 0.033 17490 4445 1 8 . 1 1 18 18 LYS N N 308 120.961 120.961 122.345 -1.384 17490 4446 1 8 . 1 1 18 18 LYS HA H 308 4.115 4.115 4.458 -0.343 17490 4447 1 8 . 1 1 18 18 LYS C C 308 178.999 178.999 178.211 0.788 17490 4448 1 8 . 1 1 18 18 LYS CA C 308 58.606 58.606 58.837 -0.231 17490 4449 1 8 . 1 1 18 18 LYS CB C 308 31.614 31.614 32.302 -0.688 17490 4450 1 8 . 1 1 18 18 LYS H H 308 8.060 8.060 7.743 0.317 17490 4451 1 8 . 1 1 19 19 GLU N N 309 118.377 118.377 119.751 -1.374 17490 4452 1 8 . 1 1 19 19 GLU HA H 309 4.198 4.198 4.149 0.049 17490 4453 1 8 . 1 1 19 19 GLU C C 309 178.136 178.136 178.430 -0.294 17490 4454 1 8 . 1 1 19 19 GLU CA C 309 57.939 57.939 59.467 -1.528 17490 4455 1 8 . 1 1 19 19 GLU CB C 309 30.115 30.115 29.814 0.301 17490 4456 1 8 . 1 1 19 19 GLU H H 309 7.520 7.520 7.697 -0.177 17490 4457 1 8 . 1 1 20 20 LEU N N 310 118.101 118.101 117.441 0.660 17490 4458 1 8 . 1 1 20 20 LEU HA H 310 4.168 4.168 4.086 0.082 17490 4459 1 8 . 1 1 20 20 LEU C C 310 179.112 179.112 178.223 0.889 17490 4460 1 8 . 1 1 20 20 LEU CA C 310 56.583 56.583 57.649 -1.066 17490 4461 1 8 . 1 1 20 20 LEU CB C 310 41.611 41.611 41.551 0.060 17490 4462 1 8 . 1 1 20 20 LEU H H 310 7.741 7.741 7.553 0.188 17490 4463 1 8 . 1 1 21 21 GLU N N 311 116.130 116.130 118.867 -2.737 17490 4464 1 8 . 1 1 21 21 GLU HA H 311 4.342 4.342 4.093 0.249 17490 4465 1 8 . 1 1 21 21 GLU C C 311 176.928 176.928 178.683 -1.755 17490 4466 1 8 . 1 1 21 21 GLU CA C 311 58.216 58.216 58.646 -0.430 17490 4467 1 8 . 1 1 21 21 GLU CB C 311 29.608 29.608 29.410 0.198 17490 4468 1 8 . 1 1 21 21 GLU H H 311 7.747 7.747 7.724 0.023 17490 4469 1 8 . 1 1 22 22 THR N N 312 106.131 106.131 117.531 -11.400 17490 4470 1 8 . 1 1 22 22 THR HA H 312 4.182 4.182 4.084 0.098 17490 4471 1 8 . 1 1 22 22 THR C C 312 172.032 172.032 176.116 -4.084 17490 4472 1 8 . 1 1 22 22 THR CA C 312 61.539 61.539 65.497 -3.958 17490 4473 1 8 . 1 1 22 22 THR CB C 312 69.426 69.426 68.972 0.454 17490 4474 1 8 . 1 1 22 22 THR H H 312 7.446 7.446 7.865 -0.419 17490 4475 1 8 . 1 1 23 23 LEU N N 313 120.178 120.178 117.234 2.944 17490 4476 1 8 . 1 1 23 23 LEU HA H 313 5.869 5.869 4.867 1.002 17490 4477 1 8 . 1 1 23 23 LEU C C 313 175.604 175.604 175.261 0.343 17490 4478 1 8 . 1 1 23 23 LEU CA C 313 52.838 52.838 54.215 -1.377 17490 4479 1 8 . 1 1 23 23 LEU CB C 313 46.851 46.851 44.531 2.320 17490 4480 1 8 . 1 1 23 23 LEU H H 313 7.538 7.538 7.794 -0.256 17490 4481 1 8 . 1 1 24 24 ILE N N 314 113.990 113.990 109.576 4.414 17490 4482 1 8 . 1 1 24 24 ILE HA H 314 4.717 4.717 4.609 0.108 17490 4483 1 8 . 1 1 24 24 ILE C C 314 173.530 173.530 173.759 -0.229 17490 4484 1 8 . 1 1 24 24 ILE CA C 314 59.368 59.368 59.095 0.273 17490 4485 1 8 . 1 1 24 24 ILE CB C 314 42.319 42.319 41.618 0.701 17490 4486 1 8 . 1 1 24 24 ILE H H 314 8.904 8.904 8.207 0.697 17490 4487 1 8 . 1 1 25 25 CYS N N 315 117.755 117.755 119.494 -1.739 17490 4488 1 8 . 1 1 25 25 CYS HA H 315 5.914 5.914 5.172 0.742 17490 4489 1 8 . 1 1 25 25 CYS C C 315 174.153 174.153 175.377 -1.224 17490 4490 1 8 . 1 1 25 25 CYS CA C 315 57.187 57.187 57.000 0.187 17490 4491 1 8 . 1 1 25 25 CYS CB C 315 31.754 31.754 27.536 4.218 17490 4492 1 8 . 1 1 25 25 CYS H H 315 9.021 9.021 8.907 0.114 17490 4493 1 8 . 1 1 26 26 LEU N N 316 119.952 119.952 126.227 -6.275 17490 4494 1 8 . 1 1 26 26 LEU HA H 316 5.363 5.363 4.616 0.747 17490 4495 1 8 . 1 1 26 26 LEU C C 316 176.015 176.015 175.830 0.185 17490 4496 1 8 . 1 1 26 26 LEU CA C 316 53.072 53.072 54.869 -1.797 17490 4497 1 8 . 1 1 26 26 LEU CB C 316 45.891 45.891 41.707 4.184 17490 4498 1 8 . 1 1 26 26 LEU H H 316 8.778 8.778 9.397 -0.619 17490 4499 1 8 . 1 1 27 27 PHE N N 317 116.116 116.116 125.351 -9.235 17490 4500 1 8 . 1 1 27 27 PHE HA H 317 4.158 4.158 5.287 -1.129 17490 4501 1 8 . 1 1 27 27 PHE CA C 317 55.594 55.594 54.504 1.090 17490 4502 1 8 . 1 1 27 27 PHE CB C 317 37.765 37.765 40.375 -2.610 17490 4503 1 8 . 1 1 27 27 PHE H H 317 7.827 7.827 8.856 -1.029 17490 4504 1 8 . 1 1 28 28 PRO HA H 318 5.322 5.322 4.447 0.875 17490 4505 1 8 . 1 1 28 28 PRO C C 318 175.163 175.163 175.296 -0.133 17490 4506 1 8 . 1 1 28 28 PRO CA C 318 61.657 61.657 62.674 -1.017 17490 4507 1 8 . 1 1 28 28 PRO CB C 318 34.356 34.356 32.587 1.769 17490 4508 1 8 . 1 1 29 29 LEU N N 319 120.206 120.206 119.104 1.102 17490 4509 1 8 . 1 1 29 29 LEU HA H 319 4.674 4.674 4.306 0.368 17490 4510 1 8 . 1 1 29 29 LEU C C 319 176.806 176.806 176.146 0.660 17490 4511 1 8 . 1 1 29 29 LEU CA C 319 52.817 52.817 54.588 -1.771 17490 4512 1 8 . 1 1 29 29 LEU CB C 319 45.029 45.029 40.748 4.281 17490 4513 1 8 . 1 1 29 29 LEU H H 319 8.365 8.365 7.491 0.874 17490 4514 1 8 . 1 1 30 30 SER N N 320 117.220 117.220 118.847 -1.627 17490 4515 1 8 . 1 1 30 30 SER HA H 320 4.475 4.475 4.354 0.121 17490 4516 1 8 . 1 1 30 30 SER C C 320 174.677 174.677 175.607 -0.930 17490 4517 1 8 . 1 1 30 30 SER CA C 320 57.768 57.768 58.078 -0.310 17490 4518 1 8 . 1 1 30 30 SER CB C 320 64.118 64.118 65.155 -1.037 17490 4519 1 8 . 1 1 30 30 SER H H 320 8.652 8.652 7.909 0.744 17490 4520 1 8 . 1 1 31 31 ASP N N 321 121.514 121.514 119.962 1.552 17490 4521 1 8 . 1 1 31 31 ASP HA H 321 4.471 4.471 4.535 -0.064 17490 4522 1 8 . 1 1 31 31 ASP C C 321 176.811 176.811 176.108 0.703 17490 4523 1 8 . 1 1 31 31 ASP CA C 321 55.388 55.388 56.040 -0.652 17490 4524 1 8 . 1 1 31 31 ASP CB C 321 40.060 40.060 40.245 -0.185 17490 4525 1 8 . 1 1 31 31 ASP H H 321 8.587 8.587 8.705 -0.118 17490 4526 1 8 . 1 1 32 32 LYS N N 322 117.990 117.990 118.784 -0.794 17490 4527 1 8 . 1 1 32 32 LYS HA H 322 4.331 4.331 4.435 -0.104 17490 4528 1 8 . 1 1 32 32 LYS C C 322 176.804 176.804 175.421 1.383 17490 4529 1 8 . 1 1 32 32 LYS CA C 322 55.545 55.545 55.855 -0.310 17490 4530 1 8 . 1 1 32 32 LYS CB C 322 31.942 31.942 33.280 -1.338 17490 4531 1 8 . 1 1 32 32 LYS H H 322 8.053 8.053 8.104 -0.051 17490 4532 1 8 . 1 1 33 33 VAL N N 323 119.570 119.570 118.224 1.346 17490 4533 1 8 . 1 1 33 33 VAL HA H 323 3.922 3.922 4.204 -0.282 17490 4534 1 8 . 1 1 33 33 VAL C C 323 173.362 173.362 174.565 -1.203 17490 4535 1 8 . 1 1 33 33 VAL CA C 323 63.294 63.294 60.329 2.965 17490 4536 1 8 . 1 1 33 33 VAL CB C 323 32.410 32.410 33.936 -1.526 17490 4537 1 8 . 1 1 33 33 VAL H H 323 7.333 7.333 7.371 -0.038 17490 4538 1 8 . 1 1 34 34 SER N N 324 118.908 118.908 114.637 4.271 17490 4539 1 8 . 1 1 34 34 SER HA H 324 5.104 5.104 4.864 0.240 17490 4540 1 8 . 1 1 34 34 SER CA C 324 55.114 55.114 56.553 -1.438 17490 4541 1 8 . 1 1 34 34 SER CB C 324 64.522 64.522 64.873 -0.351 17490 4542 1 8 . 1 1 34 34 SER H H 324 7.099 7.099 8.091 -0.992 17490 4543 1 8 . 1 1 35 35 PRO HA H 325 4.038 4.038 4.140 -0.102 17490 4544 1 8 . 1 1 35 35 PRO C C 325 178.107 178.107 178.403 -0.296 17490 4545 1 8 . 1 1 35 35 PRO CA C 325 66.275 66.275 65.637 0.638 17490 4546 1 8 . 1 1 35 35 PRO CB C 325 31.873 31.873 31.963 -0.090 17490 4547 1 8 . 1 1 36 36 SER N N 326 111.480 111.480 114.133 -2.653 17490 4548 1 8 . 1 1 36 36 SER HA H 326 4.179 4.179 4.232 -0.053 17490 4549 1 8 . 1 1 36 36 SER C C 326 176.897 176.897 176.726 0.171 17490 4550 1 8 . 1 1 36 36 SER CA C 326 61.731 61.731 61.139 0.592 17490 4551 1 8 . 1 1 36 36 SER CB C 326 62.211 62.211 62.592 -0.381 17490 4552 1 8 . 1 1 36 36 SER H H 326 8.172 8.172 8.264 -0.092 17490 4553 1 8 . 1 1 37 37 LEU N N 327 123.898 123.898 122.194 1.704 17490 4554 1 8 . 1 1 37 37 LEU HA H 327 4.311 4.311 4.032 0.279 17490 4555 1 8 . 1 1 37 37 LEU C C 327 180.292 180.292 178.717 1.575 17490 4556 1 8 . 1 1 37 37 LEU CA C 327 57.921 57.921 57.642 0.279 17490 4557 1 8 . 1 1 37 37 LEU CB C 327 42.694 42.694 41.452 1.242 17490 4558 1 8 . 1 1 37 37 LEU H H 327 7.751 7.751 8.097 -0.346 17490 4559 1 8 . 1 1 38 38 ILE N N 328 119.411 119.411 119.884 -0.473 17490 4560 1 8 . 1 1 38 38 ILE HA H 328 3.627 3.627 3.724 -0.097 17490 4561 1 8 . 1 1 38 38 ILE C C 328 176.884 176.884 177.821 -0.937 17490 4562 1 8 . 1 1 38 38 ILE CA C 328 65.153 65.153 64.783 0.370 17490 4563 1 8 . 1 1 38 38 ILE CB C 328 37.446 37.446 38.085 -0.639 17490 4564 1 8 . 1 1 38 38 ILE H H 328 7.636 7.636 7.701 -0.065 17490 4565 1 8 . 1 1 39 39 CYS N N 329 120.430 120.430 118.803 1.627 17490 4566 1 8 . 1 1 39 39 CYS HA H 329 3.743 3.743 3.939 -0.196 17490 4567 1 8 . 1 1 39 39 CYS C C 329 176.205 176.205 177.004 -0.799 17490 4568 1 8 . 1 1 39 39 CYS CA C 329 63.564 63.564 63.514 0.050 17490 4569 1 8 . 1 1 39 39 CYS CB C 329 26.285 26.285 27.034 -0.749 17490 4570 1 8 . 1 1 39 39 CYS H H 329 8.640 8.640 7.565 1.075 17490 4571 1 8 . 1 1 40 40 GLN N N 330 118.263 118.263 119.396 -1.133 17490 4572 1 8 . 1 1 40 40 GLN HA H 330 4.099 4.099 3.938 0.161 17490 4573 1 8 . 1 1 40 40 GLN C C 330 177.445 177.445 178.512 -1.067 17490 4574 1 8 . 1 1 40 40 GLN CA C 330 59.496 59.496 58.772 0.724 17490 4575 1 8 . 1 1 40 40 GLN CB C 330 28.469 28.469 28.090 0.379 17490 4576 1 8 . 1 1 40 40 GLN H H 330 8.213 8.213 8.072 0.141 17490 4577 1 8 . 1 1 41 41 PHE N N 331 121.411 121.411 120.440 0.971 17490 4578 1 8 . 1 1 41 41 PHE HA H 331 4.661 4.661 4.159 0.502 17490 4579 1 8 . 1 1 41 41 PHE C C 331 177.475 177.475 177.389 0.086 17490 4580 1 8 . 1 1 41 41 PHE CA C 331 60.181 60.181 60.925 -0.744 17490 4581 1 8 . 1 1 41 41 PHE CB C 331 39.561 39.561 38.884 0.677 17490 4582 1 8 . 1 1 41 41 PHE H H 331 7.806 7.806 8.041 -0.235 17490 4583 1 8 . 1 1 42 42 LEU N N 332 119.016 119.016 119.413 -0.397 17490 4584 1 8 . 1 1 42 42 LEU HA H 332 3.508 3.508 3.623 -0.115 17490 4585 1 8 . 1 1 42 42 LEU C C 332 178.495 178.495 179.086 -0.591 17490 4586 1 8 . 1 1 42 42 LEU CA C 332 57.545 57.545 57.732 -0.187 17490 4587 1 8 . 1 1 42 42 LEU CB C 332 40.880 40.880 41.513 -0.633 17490 4588 1 8 . 1 1 42 42 LEU H H 332 8.436 8.436 7.790 0.646 17490 4589 1 8 . 1 1 43 43 GLN N N 333 116.210 116.210 117.033 -0.823 17490 4590 1 8 . 1 1 43 43 GLN HA H 333 4.590 4.590 4.226 0.364 17490 4591 1 8 . 1 1 43 43 GLN C C 333 178.499 178.499 178.601 -0.102 17490 4592 1 8 . 1 1 43 43 GLN CA C 333 58.875 58.875 58.410 0.465 17490 4593 1 8 . 1 1 43 43 GLN CB C 333 30.846 30.846 28.425 2.421 17490 4594 1 8 . 1 1 43 43 GLN H H 333 8.236 8.236 8.371 -0.135 17490 4595 1 8 . 1 1 44 44 GLU N N 334 117.050 117.050 119.630 -2.580 17490 4596 1 8 . 1 1 44 44 GLU HA H 334 4.116 4.116 4.087 0.029 17490 4597 1 8 . 1 1 44 44 GLU C C 334 177.407 177.407 178.006 -0.599 17490 4598 1 8 . 1 1 44 44 GLU CA C 334 58.756 58.756 58.960 -0.204 17490 4599 1 8 . 1 1 44 44 GLU CB C 334 30.518 30.518 29.743 0.775 17490 4600 1 8 . 1 1 44 44 GLU H H 334 8.926 8.926 8.171 0.755 17490 4601 1 8 . 1 1 45 45 GLU N N 335 114.950 114.950 117.131 -2.181 17490 4602 1 8 . 1 1 45 45 GLU HA H 335 4.354 4.354 4.258 0.096 17490 4603 1 8 . 1 1 45 45 GLU C C 335 176.873 176.873 178.444 -1.571 17490 4604 1 8 . 1 1 45 45 GLU CA C 335 57.018 57.018 56.988 0.030 17490 4605 1 8 . 1 1 45 45 GLU CB C 335 29.537 29.537 30.870 -1.333 17490 4606 1 8 . 1 1 45 45 GLU H H 335 8.054 8.054 7.793 0.261 17490 4607 1 8 . 1 1 46 46 ILE N N 336 115.649 115.649 117.531 -1.882 17490 4608 1 8 . 1 1 46 46 ILE HA H 336 3.895 3.895 4.073 -0.178 17490 4609 1 8 . 1 1 46 46 ILE C C 336 175.873 175.873 176.187 -0.314 17490 4610 1 8 . 1 1 46 46 ILE CA C 336 58.097 58.097 61.088 -2.991 17490 4611 1 8 . 1 1 46 46 ILE CB C 336 35.077 35.077 37.589 -2.512 17490 4612 1 8 . 1 1 46 46 ILE H H 336 6.749 6.749 7.500 -0.751 17490 4613 1 8 . 1 1 47 47 HIS N N 337 111.685 111.685 114.791 -3.106 17490 4614 1 8 . 1 1 47 47 HIS HA H 337 4.520 4.520 4.285 0.235 17490 4615 1 8 . 1 1 47 47 HIS C C 337 174.787 174.787 174.070 0.717 17490 4616 1 8 . 1 1 47 47 HIS CA C 337 56.387 56.387 56.725 -0.338 17490 4617 1 8 . 1 1 47 47 HIS CB C 337 24.947 24.947 27.643 -2.696 17490 4618 1 8 . 1 1 47 47 HIS H H 337 6.652 6.652 7.603 -0.951 17490 4619 1 8 . 1 1 48 48 ILE N N 338 118.069 118.069 119.225 -1.156 17490 4620 1 8 . 1 1 48 48 ILE HA H 338 4.433 4.433 3.964 0.469 17490 4621 1 8 . 1 1 48 48 ILE C C 338 175.031 175.031 175.080 -0.049 17490 4622 1 8 . 1 1 48 48 ILE CA C 338 60.737 60.737 63.175 -2.438 17490 4623 1 8 . 1 1 48 48 ILE CB C 338 38.861 38.861 38.160 0.701 17490 4624 1 8 . 1 1 48 48 ILE H H 338 7.963 7.963 7.360 0.603 17490 4625 1 8 . 1 1 49 49 ASN N N 339 123.991 123.991 123.238 0.753 17490 4626 1 8 . 1 1 49 49 ASN HA H 339 4.691 4.691 4.817 -0.126 17490 4627 1 8 . 1 1 49 49 ASN C C 339 176.381 176.381 175.735 0.646 17490 4628 1 8 . 1 1 49 49 ASN CA C 339 53.296 53.296 51.380 1.916 17490 4629 1 8 . 1 1 49 49 ASN CB C 339 40.570 40.570 39.923 0.647 17490 4630 1 8 . 1 1 49 49 ASN H H 339 9.222 9.222 7.846 1.376 17490 4631 1 8 . 1 1 50 50 GLU N N 340 125.549 125.549 118.810 6.739 17490 4632 1 8 . 1 1 50 50 GLU HA H 340 3.792 3.792 4.006 -0.214 17490 4633 1 8 . 1 1 50 50 GLU C C 340 177.988 177.988 177.155 0.833 17490 4634 1 8 . 1 1 50 50 GLU CA C 340 59.807 59.807 59.320 0.487 17490 4635 1 8 . 1 1 50 50 GLU CB C 340 29.143 29.143 28.590 0.553 17490 4636 1 8 . 1 1 50 50 GLU H H 340 8.971 8.971 8.943 0.028 17490 4637 1 8 . 1 1 51 51 LYS N N 341 116.019 116.019 116.705 -0.686 17490 4638 1 8 . 1 1 51 51 LYS HA H 341 4.117 4.117 4.372 -0.255 17490 4639 1 8 . 1 1 51 51 LYS C C 341 177.283 177.283 177.513 -0.230 17490 4640 1 8 . 1 1 51 51 LYS CA C 341 57.718 57.718 57.185 0.533 17490 4641 1 8 . 1 1 51 51 LYS CB C 341 31.650 31.650 32.977 -1.327 17490 4642 1 8 . 1 1 51 51 LYS H H 341 8.424 8.424 7.633 0.791 17490 4643 1 8 . 1 1 52 52 ASP N N 342 117.576 117.576 119.238 -1.662 17490 4644 1 8 . 1 1 52 52 ASP HA H 342 4.444 4.444 4.664 -0.220 17490 4645 1 8 . 1 1 52 52 ASP C C 342 175.454 175.454 176.399 -0.945 17490 4646 1 8 . 1 1 52 52 ASP CA C 342 56.002 56.002 56.365 -0.363 17490 4647 1 8 . 1 1 52 52 ASP CB C 342 41.937 41.937 42.332 -0.395 17490 4648 1 8 . 1 1 52 52 ASP H H 342 7.908 7.908 8.614 -0.706 17490 4649 1 8 . 1 1 53 53 ILE N N 343 120.515 120.515 118.877 1.638 17490 4650 1 8 . 1 1 53 53 ILE HA H 343 3.875 3.875 4.586 -0.711 17490 4651 1 8 . 1 1 53 53 ILE C C 343 174.966 174.966 174.843 0.123 17490 4652 1 8 . 1 1 53 53 ILE CA C 343 61.101 61.101 59.794 1.307 17490 4653 1 8 . 1 1 53 53 ILE CB C 343 39.931 39.931 39.546 0.385 17490 4654 1 8 . 1 1 53 53 ILE H H 343 7.480 7.480 7.561 -0.081 17490 4655 1 8 . 1 1 54 54 ARG N N 344 125.353 125.353 125.601 -0.248 17490 4656 1 8 . 1 1 54 54 ARG HA H 344 4.291 4.291 4.256 0.035 17490 4657 1 8 . 1 1 54 54 ARG C C 344 176.642 176.642 176.493 0.149 17490 4658 1 8 . 1 1 54 54 ARG CA C 344 57.550 57.550 57.880 -0.330 17490 4659 1 8 . 1 1 54 54 ARG CB C 344 30.848 30.848 31.554 -0.706 17490 4660 1 8 . 1 1 54 54 ARG H H 344 9.063 9.063 8.960 0.103 17490 4661 1 8 . 1 1 55 55 LYS N N 345 116.212 116.212 117.207 -0.995 17490 4662 1 8 . 1 1 55 55 LYS HA H 345 4.417 4.417 4.410 0.007 17490 4663 1 8 . 1 1 55 55 LYS C C 345 173.004 173.004 173.815 -0.811 17490 4664 1 8 . 1 1 55 55 LYS CA C 345 55.873 55.873 56.058 -0.185 17490 4665 1 8 . 1 1 55 55 LYS CB C 345 36.582 36.582 36.108 0.474 17490 4666 1 8 . 1 1 55 55 LYS H H 345 7.569 7.569 7.452 0.117 17490 4667 1 8 . 1 1 56 56 ILE N N 346 122.685 122.685 122.060 0.625 17490 4668 1 8 . 1 1 56 56 ILE HA H 346 4.731 4.731 4.994 -0.263 17490 4669 1 8 . 1 1 56 56 ILE C C 346 174.163 174.163 173.421 0.742 17490 4670 1 8 . 1 1 56 56 ILE CA C 346 60.843 60.843 59.833 1.010 17490 4671 1 8 . 1 1 56 56 ILE CB C 346 40.816 40.816 40.262 0.554 17490 4672 1 8 . 1 1 56 56 ILE H H 346 8.229 8.229 8.464 -0.235 17490 4673 1 8 . 1 1 57 57 LEU N N 347 126.095 126.095 127.069 -0.974 17490 4674 1 8 . 1 1 57 57 LEU HA H 347 4.775 4.775 4.800 -0.025 17490 4675 1 8 . 1 1 57 57 LEU C C 347 175.764 175.764 174.626 1.138 17490 4676 1 8 . 1 1 57 57 LEU CA C 347 52.746 52.746 54.018 -1.272 17490 4677 1 8 . 1 1 57 57 LEU CB C 347 45.364 45.364 46.430 -1.066 17490 4678 1 8 . 1 1 57 57 LEU H H 347 9.279 9.279 9.041 0.238 17490 4679 1 8 . 1 1 58 58 LEU N N 348 122.946 122.946 121.652 1.294 17490 4680 1 8 . 1 1 58 58 LEU HA H 348 4.338 4.338 4.893 -0.555 17490 4681 1 8 . 1 1 58 58 LEU C C 348 176.476 176.476 176.313 0.163 17490 4682 1 8 . 1 1 58 58 LEU CA C 348 55.221 55.221 53.239 1.982 17490 4683 1 8 . 1 1 58 58 LEU CB C 348 41.496 41.496 43.150 -1.653 17490 4684 1 8 . 1 1 58 58 LEU H H 348 8.925 8.925 8.276 0.649 17490 4685 1 8 . 1 1 59 59 VAL N N 349 123.378 123.378 121.531 1.847 17490 4686 1 8 . 1 1 59 59 VAL HA H 349 4.385 4.385 4.474 -0.089 17490 4687 1 8 . 1 1 59 59 VAL C C 349 176.335 176.335 175.359 0.976 17490 4688 1 8 . 1 1 59 59 VAL CA C 349 59.595 59.595 60.343 -0.748 17490 4689 1 8 . 1 1 59 59 VAL CB C 349 31.100 31.100 35.310 -4.210 17490 4690 1 8 . 1 1 59 59 VAL H H 349 8.637 8.637 8.960 -0.323 17490 4691 1 8 . 1 1 60 60 SER N N 350 124.152 124.152 120.906 3.246 17490 4692 1 8 . 1 1 60 60 SER HA H 350 3.907 3.907 4.579 -0.672 17490 4693 1 8 . 1 1 60 60 SER C C 350 177.518 177.518 173.940 3.578 17490 4694 1 8 . 1 1 60 60 SER CA C 350 62.261 62.261 58.405 3.856 17490 4695 1 8 . 1 1 60 60 SER CB C 350 62.301 62.301 63.446 -1.145 17490 4696 1 8 . 1 1 60 60 SER H H 350 8.755 8.755 8.755 -0.000 17490 4697 1 8 . 1 1 61 61 ASP N N 351 119.224 119.224 120.409 -1.185 17490 4698 1 8 . 1 1 61 61 ASP HA H 351 3.964 3.964 4.390 -0.426 17490 4699 1 8 . 1 1 61 61 ASP C C 351 174.721 174.721 176.443 -1.722 17490 4700 1 8 . 1 1 61 61 ASP CA C 351 56.162 56.162 54.675 1.487 17490 4701 1 8 . 1 1 61 61 ASP CB C 351 40.102 40.102 41.117 -1.015 17490 4702 1 8 . 1 1 61 61 ASP H H 351 9.011 9.011 7.790 1.221 17490 4703 1 8 . 1 1 62 62 PHE N N 352 110.179 110.179 115.991 -5.812 17490 4704 1 8 . 1 1 62 62 PHE HA H 352 3.983 3.983 3.961 0.022 17490 4705 1 8 . 1 1 62 62 PHE C C 352 173.268 173.268 175.199 -1.931 17490 4706 1 8 . 1 1 62 62 PHE CA C 352 56.221 56.221 56.764 -0.543 17490 4707 1 8 . 1 1 62 62 PHE CB C 352 39.789 39.789 37.638 2.151 17490 4708 1 8 . 1 1 62 62 PHE H H 352 6.702 6.702 6.612 0.090 17490 4709 1 8 . 1 1 63 63 ASN N N 353 114.980 114.980 115.705 -0.725 17490 4710 1 8 . 1 1 63 63 ASN HA H 353 4.665 4.665 4.677 -0.012 17490 4711 1 8 . 1 1 63 63 ASN C C 353 174.360 174.360 174.842 -0.482 17490 4712 1 8 . 1 1 63 63 ASN CA C 353 54.158 54.158 53.839 0.319 17490 4713 1 8 . 1 1 63 63 ASN CB C 353 37.889 37.889 37.127 0.762 17490 4714 1 8 . 1 1 63 63 ASN H H 353 7.708 7.708 8.296 -0.588 17490 4715 1 8 . 1 1 64 64 GLY N N 354 102.117 102.117 102.786 -0.669 17490 4716 1 8 . 1 1 64 64 GLY C C 354 173.093 173.093 171.943 1.150 17490 4717 1 8 . 1 1 64 64 GLY CA C 354 45.413 45.413 43.691 1.722 17490 4718 1 8 . 1 1 64 64 GLY H H 354 7.722 7.722 8.178 -0.456 17490 4719 1 8 . 1 1 65 65 ALA N N 355 120.262 120.262 123.855 -3.593 17490 4720 1 8 . 1 1 65 65 ALA HA H 355 5.055 5.055 5.086 -0.031 17490 4721 1 8 . 1 1 65 65 ALA C C 355 174.731 174.731 175.694 -0.963 17490 4722 1 8 . 1 1 65 65 ALA CA C 355 51.429 51.429 50.177 1.252 17490 4723 1 8 . 1 1 65 65 ALA CB C 355 22.924 22.924 20.850 2.074 17490 4724 1 8 . 1 1 65 65 ALA H H 355 8.785 8.785 9.049 -0.264 17490 4725 1 8 . 1 1 66 66 ILE N N 356 121.244 121.244 126.979 -5.735 17490 4726 1 8 . 1 1 66 66 ILE HA H 356 4.711 4.711 5.088 -0.377 17490 4727 1 8 . 1 1 66 66 ILE C C 356 174.154 174.154 174.002 0.152 17490 4728 1 8 . 1 1 66 66 ILE CA C 356 60.570 60.570 60.648 -0.077 17490 4729 1 8 . 1 1 66 66 ILE CB C 356 41.943 41.943 39.804 2.139 17490 4730 1 8 . 1 1 66 66 ILE H H 356 9.390 9.390 8.362 1.028 17490 4731 1 8 . 1 1 67 67 ILE N N 357 127.255 127.255 129.206 -1.951 17490 4732 1 8 . 1 1 67 67 ILE HA H 357 4.433 4.433 4.781 -0.348 17490 4733 1 8 . 1 1 67 67 ILE C C 357 174.004 174.004 174.639 -0.635 17490 4734 1 8 . 1 1 67 67 ILE CA C 357 59.826 59.826 60.372 -0.546 17490 4735 1 8 . 1 1 67 67 ILE CB C 357 38.965 38.965 42.581 -3.616 17490 4736 1 8 . 1 1 67 67 ILE H H 357 9.291 9.291 8.773 0.518 17490 4737 1 8 . 1 1 68 68 ILE N N 358 124.623 124.623 126.926 -2.303 17490 4738 1 8 . 1 1 68 68 ILE HA H 358 4.293 4.293 4.429 -0.137 17490 4739 1 8 . 1 1 68 68 ILE C C 358 176.052 176.052 175.932 0.120 17490 4740 1 8 . 1 1 68 68 ILE CA C 358 61.079 61.079 60.579 0.500 17490 4741 1 8 . 1 1 68 68 ILE CB C 358 38.373 38.373 37.312 1.061 17490 4742 1 8 . 1 1 68 68 ILE H H 358 8.681 8.681 8.715 -0.034 17490 4743 1 8 . 1 1 69 69 PHE N N 359 126.100 126.100 125.954 0.146 17490 4744 1 8 . 1 1 69 69 PHE HA H 359 5.130 5.130 4.241 0.889 17490 4745 1 8 . 1 1 69 69 PHE C C 359 175.355 175.355 177.394 -2.039 17490 4746 1 8 . 1 1 69 69 PHE CA C 359 58.156 58.156 62.978 -4.822 17490 4747 1 8 . 1 1 69 69 PHE CB C 359 41.592 41.592 39.212 2.380 17490 4748 1 8 . 1 1 69 69 PHE H H 359 9.086 9.086 8.857 0.229 17490 4749 1 8 . 1 1 70 70 ARG N N 360 115.935 115.935 113.842 2.093 17490 4750 1 8 . 1 1 70 70 ARG HA H 360 4.068 4.068 4.506 -0.438 17490 4751 1 8 . 1 1 70 70 ARG C C 360 175.099 175.099 174.423 0.676 17490 4752 1 8 . 1 1 70 70 ARG CA C 360 58.594 58.594 57.230 1.365 17490 4753 1 8 . 1 1 70 70 ARG CB C 360 30.664 30.664 33.483 -2.819 17490 4754 1 8 . 1 1 70 70 ARG H H 360 8.268 8.268 8.665 -0.397 17490 4755 1 8 . 1 1 71 71 ASP N N 361 113.892 113.892 115.768 -1.876 17490 4756 1 8 . 1 1 71 71 ASP HA H 361 4.880 4.880 4.675 0.205 17490 4757 1 8 . 1 1 71 71 ASP C C 361 176.087 176.087 176.240 -0.153 17490 4758 1 8 . 1 1 71 71 ASP CA C 361 53.329 53.329 51.862 1.467 17490 4759 1 8 . 1 1 71 71 ASP CB C 361 44.131 44.131 43.384 0.747 17490 4760 1 8 . 1 1 71 71 ASP H H 361 7.673 7.673 8.042 -0.369 17490 4761 1 8 . 1 1 72 72 SER N N 362 118.590 118.590 118.903 -0.313 17490 4762 1 8 . 1 1 72 72 SER HA H 362 4.310 4.310 4.290 0.020 17490 4763 1 8 . 1 1 72 72 SER C C 362 176.600 176.600 175.980 0.620 17490 4764 1 8 . 1 1 72 72 SER CA C 362 60.739 60.739 61.444 -0.706 17490 4765 1 8 . 1 1 72 72 SER CB C 362 62.872 62.872 63.130 -0.258 17490 4766 1 8 . 1 1 72 72 SER H H 362 9.103 9.103 8.650 0.453 17490 4767 1 8 . 1 1 73 73 LYS N N 363 125.872 125.872 121.644 4.228 17490 4768 1 8 . 1 1 73 73 LYS HA H 363 4.134 4.134 4.010 0.124 17490 4769 1 8 . 1 1 73 73 LYS C C 363 179.386 179.386 178.692 0.694 17490 4770 1 8 . 1 1 73 73 LYS CA C 363 59.283 59.283 58.535 0.748 17490 4771 1 8 . 1 1 73 73 LYS CB C 363 31.491 31.491 31.792 -0.301 17490 4772 1 8 . 1 1 73 73 LYS H H 363 8.332 8.332 8.209 0.123 17490 4773 1 8 . 1 1 74 74 PHE N N 364 123.145 123.145 118.180 4.965 17490 4774 1 8 . 1 1 74 74 PHE HA H 364 3.968 3.968 4.307 -0.339 17490 4775 1 8 . 1 1 74 74 PHE C C 364 177.819 177.819 177.537 0.282 17490 4776 1 8 . 1 1 74 74 PHE CA C 364 61.588 61.588 58.597 2.991 17490 4777 1 8 . 1 1 74 74 PHE CB C 364 39.963 39.963 37.551 2.412 17490 4778 1 8 . 1 1 74 74 PHE H H 364 8.482 8.482 6.999 1.483 17490 4779 1 8 . 1 1 75 75 ALA N N 365 119.451 119.451 122.126 -2.675 17490 4780 1 8 . 1 1 75 75 ALA HA H 365 3.396 3.396 3.728 -0.332 17490 4781 1 8 . 1 1 75 75 ALA C C 365 178.100 178.100 179.325 -1.225 17490 4782 1 8 . 1 1 75 75 ALA CA C 365 55.584 55.584 55.020 0.563 17490 4783 1 8 . 1 1 75 75 ALA CB C 365 18.265 18.265 17.778 0.487 17490 4784 1 8 . 1 1 75 75 ALA H H 365 7.835 7.835 8.058 -0.223 17490 4785 1 8 . 1 1 76 76 ALA N N 366 117.626 117.626 120.194 -2.568 17490 4786 1 8 . 1 1 76 76 ALA HA H 366 4.033 4.033 4.163 -0.130 17490 4787 1 8 . 1 1 76 76 ALA C C 366 180.569 180.569 179.637 0.932 17490 4788 1 8 . 1 1 76 76 ALA CA C 366 54.996 54.996 54.629 0.367 17490 4789 1 8 . 1 1 76 76 ALA CB C 366 18.040 18.040 18.455 -0.415 17490 4790 1 8 . 1 1 76 76 ALA H H 366 7.680 7.680 7.599 0.081 17490 4791 1 8 . 1 1 77 77 LYS N N 367 118.273 118.273 119.259 -0.986 17490 4792 1 8 . 1 1 77 77 LYS HA H 367 3.998 3.998 4.099 -0.101 17490 4793 1 8 . 1 1 77 77 LYS C C 367 178.964 178.964 178.771 0.193 17490 4794 1 8 . 1 1 77 77 LYS CA C 367 58.803 58.803 58.653 0.150 17490 4795 1 8 . 1 1 77 77 LYS CB C 367 32.106 32.106 32.099 0.007 17490 4796 1 8 . 1 1 77 77 LYS H H 367 7.302 7.302 7.942 -0.640 17490 4797 1 8 . 1 1 78 78 MET N N 368 117.578 117.578 119.424 -1.846 17490 4798 1 8 . 1 1 78 78 MET HA H 368 4.273 4.273 4.340 -0.067 17490 4799 1 8 . 1 1 78 78 MET C C 368 178.167 178.167 177.792 0.375 17490 4800 1 8 . 1 1 78 78 MET CA C 368 55.734 55.734 56.259 -0.525 17490 4801 1 8 . 1 1 78 78 MET CB C 368 32.382 32.382 32.133 0.249 17490 4802 1 8 . 1 1 78 78 MET H H 368 7.785 7.785 7.956 -0.171 17490 4803 1 8 . 1 1 79 79 LEU N N 369 120.984 120.984 122.017 -1.033 17490 4804 1 8 . 1 1 79 79 LEU HA H 369 3.786 3.786 3.969 -0.183 17490 4805 1 8 . 1 1 79 79 LEU C C 369 179.060 179.060 178.867 0.193 17490 4806 1 8 . 1 1 79 79 LEU CA C 369 59.377 59.377 58.390 0.987 17490 4807 1 8 . 1 1 79 79 LEU CB C 369 42.354 42.354 41.955 0.399 17490 4808 1 8 . 1 1 79 79 LEU H H 369 8.197 8.197 7.902 0.295 17490 4809 1 8 . 1 1 80 80 MET N N 370 114.071 114.071 114.629 -0.558 17490 4810 1 8 . 1 1 80 80 MET HA H 370 4.277 4.277 4.303 -0.026 17490 4811 1 8 . 1 1 80 80 MET C C 370 178.184 178.184 178.072 0.112 17490 4812 1 8 . 1 1 80 80 MET CA C 370 57.627 57.627 56.680 0.947 17490 4813 1 8 . 1 1 80 80 MET CB C 370 32.543 32.543 31.740 0.803 17490 4814 1 8 . 1 1 80 80 MET H H 370 7.018 7.018 7.900 -0.882 17490 4815 1 8 . 1 1 81 81 ILE N N 371 118.056 118.056 117.110 0.946 17490 4816 1 8 . 1 1 81 81 ILE HA H 371 3.885 3.885 4.035 -0.150 17490 4817 1 8 . 1 1 81 81 ILE C C 371 177.491 177.491 177.806 -0.315 17490 4818 1 8 . 1 1 81 81 ILE CA C 371 63.571 63.571 61.910 1.661 17490 4819 1 8 . 1 1 81 81 ILE CB C 371 38.716 38.716 37.783 0.932 17490 4820 1 8 . 1 1 81 81 ILE H H 371 7.615 7.615 7.734 -0.119 17490 4821 1 8 . 1 1 82 82 LEU N N 372 116.858 116.858 119.710 -2.852 17490 4822 1 8 . 1 1 82 82 LEU HA H 372 4.100 4.100 4.458 -0.358 17490 4823 1 8 . 1 1 82 82 LEU C C 372 178.360 178.360 176.429 1.931 17490 4824 1 8 . 1 1 82 82 LEU CA C 372 55.929 55.929 55.595 0.334 17490 4825 1 8 . 1 1 82 82 LEU CB C 372 42.309 42.309 43.585 -1.276 17490 4826 1 8 . 1 1 82 82 LEU H H 372 8.160 8.160 8.189 -0.029 17490 4827 1 8 . 1 1 83 83 ASN N N 373 117.015 117.015 116.347 0.668 17490 4828 1 8 . 1 1 83 83 ASN HA H 373 4.348 4.348 4.686 -0.338 17490 4829 1 8 . 1 1 83 83 ASN C C 373 175.671 175.671 175.025 0.646 17490 4830 1 8 . 1 1 83 83 ASN CA C 373 55.793 55.793 54.117 1.676 17490 4831 1 8 . 1 1 83 83 ASN CB C 373 38.434 38.434 38.989 -0.555 17490 4832 1 8 . 1 1 83 83 ASN H H 373 7.058 7.058 7.992 -0.934 17490 4833 1 8 . 1 1 84 84 GLY N N 374 116.878 116.878 113.163 3.715 17490 4834 1 8 . 1 1 84 84 GLY C C 374 174.602 174.602 173.865 0.737 17490 4835 1 8 . 1 1 84 84 GLY CA C 374 45.842 45.842 45.105 0.737 17490 4836 1 8 . 1 1 84 84 GLY H H 374 9.053 9.053 8.304 0.749 17490 4837 1 8 . 1 1 85 85 SER N N 375 116.615 116.615 115.907 0.708 17490 4838 1 8 . 1 1 85 85 SER HA H 375 4.407 4.407 4.821 -0.414 17490 4839 1 8 . 1 1 85 85 SER C C 375 171.580 171.580 173.242 -1.662 17490 4840 1 8 . 1 1 85 85 SER CA C 375 59.280 59.280 57.021 2.259 17490 4841 1 8 . 1 1 85 85 SER CB C 375 64.303 64.303 65.352 -1.049 17490 4842 1 8 . 1 1 85 85 SER H H 375 7.666 7.666 8.249 -0.583 17490 4843 1 8 . 1 1 86 86 GLN N N 376 117.824 117.824 119.641 -1.817 17490 4844 1 8 . 1 1 86 86 GLN HA H 376 4.893 4.893 5.494 -0.601 17490 4845 1 8 . 1 1 86 86 GLN C C 376 175.033 175.033 174.896 0.137 17490 4846 1 8 . 1 1 86 86 GLN CA C 376 54.885 54.885 55.064 -0.179 17490 4847 1 8 . 1 1 86 86 GLN CB C 376 30.733 30.733 32.230 -1.496 17490 4848 1 8 . 1 1 86 86 GLN H H 376 8.381 8.381 8.441 -0.060 17490 4849 1 8 . 1 1 87 87 PHE N N 377 124.095 124.095 124.132 -0.037 17490 4850 1 8 . 1 1 87 87 PHE HA H 377 4.472 4.472 4.623 -0.151 17490 4851 1 8 . 1 1 87 87 PHE C C 377 174.760 174.760 174.065 0.695 17490 4852 1 8 . 1 1 87 87 PHE CA C 377 56.009 56.009 58.129 -2.120 17490 4853 1 8 . 1 1 87 87 PHE CB C 377 41.519 41.519 42.071 -0.552 17490 4854 1 8 . 1 1 87 87 PHE H H 377 8.974 8.974 9.234 -0.260 17490 4855 1 8 . 1 1 88 88 GLN N N 378 126.108 126.108 120.765 5.343 17490 4856 1 8 . 1 1 88 88 GLN HA H 378 3.505 3.505 3.978 -0.473 17490 4857 1 8 . 1 1 88 88 GLN C C 378 176.162 176.162 175.576 0.586 17490 4858 1 8 . 1 1 88 88 GLN CA C 378 56.570 56.570 56.417 0.153 17490 4859 1 8 . 1 1 88 88 GLN CB C 378 26.070 26.070 28.174 -2.104 17490 4860 1 8 . 1 1 88 88 GLN H H 378 9.139 9.139 8.634 0.505 17490 4861 1 8 . 1 1 89 89 GLY N N 379 103.132 103.132 104.016 -0.884 17490 4862 1 8 . 1 1 89 89 GLY C C 379 173.587 173.587 173.472 0.115 17490 4863 1 8 . 1 1 89 89 GLY CA C 379 45.382 45.382 44.857 0.525 17490 4864 1 8 . 1 1 89 89 GLY H H 379 8.580 8.580 8.075 0.505 17490 4865 1 8 . 1 1 90 90 LYS N N 380 119.783 119.783 119.074 0.709 17490 4866 1 8 . 1 1 90 90 LYS HA H 380 4.697 4.697 4.566 0.131 17490 4867 1 8 . 1 1 90 90 LYS C C 380 174.500 174.500 174.790 -0.290 17490 4868 1 8 . 1 1 90 90 LYS CA C 380 54.019 54.019 54.988 -0.969 17490 4869 1 8 . 1 1 90 90 LYS CB C 380 35.919 35.919 35.690 0.230 17490 4870 1 8 . 1 1 90 90 LYS H H 380 7.457 7.457 7.671 -0.214 17490 4871 1 8 . 1 1 91 91 VAL N N 381 121.517 121.517 123.825 -2.308 17490 4872 1 8 . 1 1 91 91 VAL HA H 381 4.294 4.294 4.996 -0.702 17490 4873 1 8 . 1 1 91 91 VAL C C 381 176.729 176.729 175.365 1.364 17490 4874 1 8 . 1 1 91 91 VAL CA C 381 63.176 63.176 61.555 1.621 17490 4875 1 8 . 1 1 91 91 VAL CB C 381 32.073 32.073 32.001 0.073 17490 4876 1 8 . 1 1 91 91 VAL H H 381 8.256 8.256 8.542 -0.286 17490 4877 1 8 . 1 1 92 92 ILE N N 382 124.746 124.746 125.376 -0.630 17490 4878 1 8 . 1 1 92 92 ILE HA H 382 4.533 4.533 4.627 -0.094 17490 4879 1 8 . 1 1 92 92 ILE C C 382 173.501 173.501 174.187 -0.686 17490 4880 1 8 . 1 1 92 92 ILE CA C 382 59.249 59.249 59.301 -0.052 17490 4881 1 8 . 1 1 92 92 ILE CB C 382 41.995 41.995 38.680 3.315 17490 4882 1 8 . 1 1 92 92 ILE H H 382 8.788 8.788 8.280 0.508 17490 4883 1 8 . 1 1 93 93 ARG N N 383 119.723 119.723 123.378 -3.655 17490 4884 1 8 . 1 1 93 93 ARG HA H 383 4.608 4.608 4.820 -0.212 17490 4885 1 8 . 1 1 93 93 ARG C C 383 173.979 173.979 174.182 -0.203 17490 4886 1 8 . 1 1 93 93 ARG CA C 383 53.178 53.178 54.231 -1.053 17490 4887 1 8 . 1 1 93 93 ARG CB C 383 31.724 31.724 33.465 -1.741 17490 4888 1 8 . 1 1 93 93 ARG H H 383 8.500 8.500 8.479 0.021 17490 4889 1 8 . 1 1 94 94 SER N N 384 110.386 110.386 113.696 -3.310 17490 4890 1 8 . 1 1 94 94 SER HA H 384 5.685 5.685 5.093 0.592 17490 4891 1 8 . 1 1 94 94 SER C C 384 174.791 174.791 173.326 1.465 17490 4892 1 8 . 1 1 94 94 SER CA C 384 54.419 54.419 56.343 -1.924 17490 4893 1 8 . 1 1 94 94 SER CB C 384 67.147 67.147 65.314 1.833 17490 4894 1 8 . 1 1 94 94 SER H H 384 7.700 7.700 8.578 -0.878 17490 4895 1 8 . 1 1 95 95 GLY N N 385 106.738 106.738 108.465 -1.727 17490 4896 1 8 . 1 1 95 95 GLY C C 385 171.619 171.619 172.404 -0.785 17490 4897 1 8 . 1 1 95 95 GLY CA C 385 45.904 45.904 45.394 0.510 17490 4898 1 8 . 1 1 95 95 GLY H H 385 8.360 8.360 8.460 -0.100 17490 4899 1 8 . 1 1 96 96 THR N N 386 111.493 111.493 113.192 -1.699 17490 4900 1 8 . 1 1 96 96 THR HA H 386 4.604 4.604 4.805 -0.201 17490 4901 1 8 . 1 1 96 96 THR C C 386 175.600 175.600 175.635 -0.035 17490 4902 1 8 . 1 1 96 96 THR CA C 386 60.901 60.901 60.661 0.240 17490 4903 1 8 . 1 1 96 96 THR CB C 386 71.709 71.709 71.123 0.586 17490 4904 1 8 . 1 1 96 96 THR H H 386 9.274 9.274 8.066 1.208 17490 4905 1 8 . 1 1 97 97 ILE N N 387 121.293 121.293 119.536 1.757 17490 4906 1 8 . 1 1 97 97 ILE HA H 387 3.881 3.881 3.811 0.070 17490 4907 1 8 . 1 1 97 97 ILE C C 387 178.109 178.109 177.646 0.463 17490 4908 1 8 . 1 1 97 97 ILE CA C 387 65.826 65.826 63.794 2.032 17490 4909 1 8 . 1 1 97 97 ILE CB C 387 37.717 37.717 36.800 0.917 17490 4910 1 8 . 1 1 97 97 ILE H H 387 9.339 9.339 8.191 1.148 17490 4911 1 8 . 1 1 98 98 ASN N N 388 117.358 117.358 119.107 -1.749 17490 4912 1 8 . 1 1 98 98 ASN HA H 388 4.224 4.224 4.276 -0.052 17490 4913 1 8 . 1 1 98 98 ASN C C 388 178.040 178.040 176.724 1.316 17490 4914 1 8 . 1 1 98 98 ASN CA C 388 56.205 56.205 56.689 -0.484 17490 4915 1 8 . 1 1 98 98 ASN CB C 388 37.719 37.719 38.303 -0.584 17490 4916 1 8 . 1 1 98 98 ASN H H 388 8.162 8.162 8.242 -0.080 17490 4917 1 8 . 1 1 99 99 ASP N N 389 121.336 121.336 120.145 1.191 17490 4918 1 8 . 1 1 99 99 ASP HA H 389 4.236 4.236 4.074 0.162 17490 4919 1 8 . 1 1 99 99 ASP C C 389 177.813 177.813 177.473 0.340 17490 4920 1 8 . 1 1 99 99 ASP CA C 389 57.639 57.639 56.462 1.177 17490 4921 1 8 . 1 1 99 99 ASP CB C 389 40.497 40.497 40.482 0.015 17490 4922 1 8 . 1 1 99 99 ASP H H 389 7.865 7.865 8.334 -0.469 17490 4923 1 8 . 1 1 100 100 MET N N 390 122.932 122.932 116.722 6.210 17490 4924 1 8 . 1 1 100 100 MET HA H 390 4.499 4.499 4.072 0.427 17490 4925 1 8 . 1 1 100 100 MET C C 390 178.081 178.081 177.847 0.234 17490 4926 1 8 . 1 1 100 100 MET CA C 390 58.402 58.402 58.471 -0.069 17490 4927 1 8 . 1 1 100 100 MET CB C 390 32.263 32.263 32.480 -0.216 17490 4928 1 8 . 1 1 100 100 MET H H 390 7.874 7.874 7.289 0.585 17490 4929 1 8 . 1 1 101 101 LYS N N 391 118.764 118.764 120.137 -1.373 17490 4930 1 8 . 1 1 101 101 LYS HA H 391 3.484 3.484 4.081 -0.597 17490 4931 1 8 . 1 1 101 101 LYS C C 391 178.102 178.102 179.415 -1.313 17490 4932 1 8 . 1 1 101 101 LYS CA C 391 60.070 60.070 58.941 1.129 17490 4933 1 8 . 1 1 101 101 LYS CB C 391 32.468 32.468 31.550 0.918 17490 4934 1 8 . 1 1 101 101 LYS H H 391 7.994 7.994 8.070 -0.076 17490 4935 1 8 . 1 1 102 102 ARG N N 392 118.974 118.974 120.352 -1.378 17490 4936 1 8 . 1 1 102 102 ARG HA H 392 3.971 3.971 4.495 -0.524 17490 4937 1 8 . 1 1 102 102 ARG C C 392 178.433 178.433 179.166 -0.733 17490 4938 1 8 . 1 1 102 102 ARG CA C 392 59.485 59.485 58.761 0.724 17490 4939 1 8 . 1 1 102 102 ARG CB C 392 30.282 30.282 29.933 0.349 17490 4940 1 8 . 1 1 102 102 ARG H H 392 8.088 8.088 7.724 0.364 17490 4941 1 8 . 1 1 103 103 TYR N N 393 119.904 119.904 119.157 0.747 17490 4942 1 8 . 1 1 103 103 TYR HA H 393 4.017 4.017 4.030 -0.013 17490 4943 1 8 . 1 1 103 103 TYR C C 393 177.819 177.819 178.442 -0.623 17490 4944 1 8 . 1 1 103 103 TYR CA C 393 61.926 61.926 59.093 2.833 17490 4945 1 8 . 1 1 103 103 TYR CB C 393 39.373 39.373 36.783 2.590 17490 4946 1 8 . 1 1 103 103 TYR H H 393 8.058 8.058 7.581 0.477 17490 4947 1 8 . 1 1 104 104 TYR N N 394 119.418 119.418 120.775 -1.357 17490 4948 1 8 . 1 1 104 104 TYR HA H 394 4.167 4.167 4.229 -0.062 17490 4949 1 8 . 1 1 104 104 TYR C C 394 177.920 177.920 177.230 0.690 17490 4950 1 8 . 1 1 104 104 TYR CA C 394 61.764 61.764 60.097 1.667 17490 4951 1 8 . 1 1 104 104 TYR CB C 394 39.162 39.162 38.493 0.669 17490 4952 1 8 . 1 1 104 104 TYR H H 394 7.846 7.846 8.259 -0.413 17490 4953 1 8 . 1 1 105 105 ASN N N 395 117.373 117.373 117.209 0.164 17490 4954 1 8 . 1 1 105 105 ASN HA H 395 4.414 4.414 3.980 0.434 17490 4955 1 8 . 1 1 105 105 ASN C C 395 176.906 176.906 177.686 -0.780 17490 4956 1 8 . 1 1 105 105 ASN CA C 395 55.691 55.691 56.395 -0.704 17490 4957 1 8 . 1 1 105 105 ASN CB C 395 38.472 38.472 37.444 1.028 17490 4958 1 8 . 1 1 105 105 ASN H H 395 8.499 8.499 8.283 0.216 17490 4959 1 8 . 1 1 106 106 ASN N N 396 118.101 118.101 118.377 -0.276 17490 4960 1 8 . 1 1 106 106 ASN HA H 396 4.531 4.531 4.527 0.004 17490 4961 1 8 . 1 1 106 106 ASN C C 396 176.450 176.450 177.462 -1.012 17490 4962 1 8 . 1 1 106 106 ASN CA C 396 54.775 54.775 55.575 -0.800 17490 4963 1 8 . 1 1 106 106 ASN CB C 396 38.543 38.543 38.717 -0.174 17490 4964 1 8 . 1 1 106 106 ASN H H 396 8.081 8.081 8.089 -0.008 17490 4965 1 8 . 1 1 107 107 GLN N N 397 118.903 118.903 118.878 0.025 17490 4966 1 8 . 1 1 107 107 GLN HA H 397 3.977 3.977 4.216 -0.239 17490 4967 1 8 . 1 1 107 107 GLN C C 397 176.907 176.907 178.116 -1.209 17490 4968 1 8 . 1 1 107 107 GLN CA C 397 56.815 56.815 58.069 -1.254 17490 4969 1 8 . 1 1 107 107 GLN CB C 397 28.610 28.610 28.995 -0.385 17490 4970 1 8 . 1 1 107 107 GLN H H 397 7.772 7.772 7.888 -0.116 17490 4971 1 8 . 1 1 108 108 GLN N N 398 118.101 118.101 117.462 0.639 17490 4972 1 8 . 1 1 108 108 GLN HA H 398 3.920 3.920 4.064 -0.144 17490 4973 1 8 . 1 1 108 108 GLN C C 398 176.321 176.321 176.692 -0.371 17490 4974 1 8 . 1 1 108 108 GLN CA C 398 56.554 56.554 57.628 -1.074 17490 4975 1 8 . 1 1 108 108 GLN CB C 398 28.650 28.650 29.156 -0.506 17490 4976 1 8 . 1 1 108 108 GLN H H 398 7.854 7.854 8.131 -0.277 17490 4977 1 9 . 1 1 3 3 LEU N N 293 125.082 125.082 125.679 -0.597 17490 4978 1 9 . 1 1 3 3 LEU HA H 293 4.292 4.292 4.730 -0.438 17490 4979 1 9 . 1 1 3 3 LEU C C 293 177.442 177.442 177.147 0.295 17490 4980 1 9 . 1 1 3 3 LEU CA C 293 55.523 55.523 54.170 1.353 17490 4981 1 9 . 1 1 3 3 LEU CB C 293 42.516 42.516 43.710 -1.194 17490 4982 1 9 . 1 1 3 3 LEU H H 293 8.321 8.321 7.527 0.794 17490 4983 1 9 . 1 1 4 4 GLU N N 294 122.906 122.906 128.159 -5.253 17490 4984 1 9 . 1 1 4 4 GLU HA H 294 4.069 4.069 3.816 0.253 17490 4985 1 9 . 1 1 4 4 GLU C C 294 177.158 177.158 177.994 -0.836 17490 4986 1 9 . 1 1 4 4 GLU CA C 294 58.307 58.307 59.778 -1.471 17490 4987 1 9 . 1 1 4 4 GLU CB C 294 29.676 29.676 28.677 0.999 17490 4988 1 9 . 1 1 4 4 GLU H H 294 8.521 8.521 9.047 -0.526 17490 4989 1 9 . 1 1 5 5 ARG N N 295 120.270 120.270 117.828 2.442 17490 4990 1 9 . 1 1 5 5 ARG HA H 295 4.131 4.131 4.058 0.073 17490 4991 1 9 . 1 1 5 5 ARG C C 295 177.768 177.768 178.987 -1.219 17490 4992 1 9 . 1 1 5 5 ARG CA C 295 58.082 58.082 58.741 -0.659 17490 4993 1 9 . 1 1 5 5 ARG CB C 295 30.192 30.192 29.403 0.789 17490 4994 1 9 . 1 1 5 5 ARG H H 295 8.327 8.327 8.537 -0.210 17490 4995 1 9 . 1 1 6 6 ASN N N 296 118.639 118.639 118.496 0.143 17490 4996 1 9 . 1 1 6 6 ASN HA H 296 4.554 4.554 4.549 0.005 17490 4997 1 9 . 1 1 6 6 ASN C C 296 176.830 176.830 177.826 -0.996 17490 4998 1 9 . 1 1 6 6 ASN CA C 296 54.901 54.901 55.871 -0.970 17490 4999 1 9 . 1 1 6 6 ASN CB C 296 38.115 38.115 38.252 -0.137 17490 5000 1 9 . 1 1 6 6 ASN H H 296 8.257 8.257 8.104 0.153 17490 5001 1 9 . 1 1 7 7 GLU N N 297 123.935 123.935 120.925 3.010 17490 5002 1 9 . 1 1 7 7 GLU HA H 297 4.266 4.266 4.159 0.107 17490 5003 1 9 . 1 1 7 7 GLU C C 297 178.102 178.102 179.080 -0.978 17490 5004 1 9 . 1 1 7 7 GLU CA C 297 58.897 58.897 59.437 -0.540 17490 5005 1 9 . 1 1 7 7 GLU CB C 297 29.814 29.814 29.688 0.126 17490 5006 1 9 . 1 1 7 7 GLU H H 297 8.185 8.185 7.891 0.294 17490 5007 1 9 . 1 1 8 8 VAL N N 298 118.916 118.916 119.585 -0.669 17490 5008 1 9 . 1 1 8 8 VAL HA H 298 3.399 3.399 3.505 -0.106 17490 5009 1 9 . 1 1 8 8 VAL C C 298 177.131 177.131 177.618 -0.487 17490 5010 1 9 . 1 1 8 8 VAL CA C 298 67.619 67.619 66.873 0.746 17490 5011 1 9 . 1 1 8 8 VAL CB C 298 32.041 32.041 31.026 1.015 17490 5012 1 9 . 1 1 8 8 VAL H H 298 8.095 8.095 8.798 -0.703 17490 5013 1 9 . 1 1 9 9 LYS N N 299 117.791 117.791 120.118 -2.327 17490 5014 1 9 . 1 1 9 9 LYS HA H 299 3.804 3.804 4.035 -0.231 17490 5015 1 9 . 1 1 9 9 LYS C C 299 179.259 179.259 178.891 0.368 17490 5016 1 9 . 1 1 9 9 LYS CA C 299 59.806 59.806 59.338 0.468 17490 5017 1 9 . 1 1 9 9 LYS CB C 299 32.290 32.290 32.275 0.015 17490 5018 1 9 . 1 1 9 9 LYS H H 299 7.771 7.771 7.847 -0.076 17490 5019 1 9 . 1 1 10 10 ARG N N 300 119.032 119.032 119.439 -0.407 17490 5020 1 9 . 1 1 10 10 ARG HA H 300 3.934 3.934 4.103 -0.169 17490 5021 1 9 . 1 1 10 10 ARG C C 300 179.680 179.680 179.202 0.478 17490 5022 1 9 . 1 1 10 10 ARG CA C 300 59.444 59.444 58.052 1.392 17490 5023 1 9 . 1 1 10 10 ARG CB C 300 30.190 30.190 29.657 0.533 17490 5024 1 9 . 1 1 10 10 ARG H H 300 7.834 7.834 7.866 -0.032 17490 5025 1 9 . 1 1 11 11 LEU N N 301 120.881 120.881 119.048 1.833 17490 5026 1 9 . 1 1 11 11 LEU HA H 301 3.890 3.890 4.139 -0.249 17490 5027 1 9 . 1 1 11 11 LEU C C 301 178.937 178.937 177.933 1.004 17490 5028 1 9 . 1 1 11 11 LEU CA C 301 58.067 58.067 56.430 1.637 17490 5029 1 9 . 1 1 11 11 LEU CB C 301 42.051 42.051 42.122 -0.071 17490 5030 1 9 . 1 1 11 11 LEU H H 301 8.147 8.147 8.004 0.143 17490 5031 1 9 . 1 1 12 12 LEU N N 302 116.294 116.294 117.508 -1.214 17490 5032 1 9 . 1 1 12 12 LEU HA H 302 3.874 3.874 3.954 -0.080 17490 5033 1 9 . 1 1 12 12 LEU C C 302 177.360 177.360 178.201 -0.841 17490 5034 1 9 . 1 1 12 12 LEU CA C 302 57.498 57.498 56.834 0.664 17490 5035 1 9 . 1 1 12 12 LEU CB C 302 41.506 41.506 42.262 -0.756 17490 5036 1 9 . 1 1 12 12 LEU H H 302 8.331 8.331 7.613 0.718 17490 5037 1 9 . 1 1 13 13 ALA N N 303 117.998 117.998 118.195 -0.197 17490 5038 1 9 . 1 1 13 13 ALA HA H 303 4.480 4.480 4.364 0.116 17490 5039 1 9 . 1 1 13 13 ALA C C 303 177.554 177.554 177.517 0.037 17490 5040 1 9 . 1 1 13 13 ALA CA C 303 51.290 51.290 51.657 -0.367 17490 5041 1 9 . 1 1 13 13 ALA CB C 303 19.810 19.810 19.937 -0.127 17490 5042 1 9 . 1 1 13 13 ALA H H 303 7.109 7.109 7.568 -0.459 17490 5043 1 9 . 1 1 14 14 SER N N 304 114.833 114.833 114.478 0.355 17490 5044 1 9 . 1 1 14 14 SER HA H 304 4.175 4.175 4.155 0.020 17490 5045 1 9 . 1 1 14 14 SER C C 304 175.762 175.762 175.460 0.302 17490 5046 1 9 . 1 1 14 14 SER CA C 304 59.344 59.344 59.343 0.001 17490 5047 1 9 . 1 1 14 14 SER CB C 304 63.704 63.704 63.397 0.307 17490 5048 1 9 . 1 1 14 14 SER H H 304 7.265 7.265 7.550 -0.285 17490 5049 1 9 . 1 1 15 15 ARG N N 305 125.370 125.370 126.526 -1.156 17490 5050 1 9 . 1 1 15 15 ARG HA H 305 4.555 4.555 4.367 0.188 17490 5051 1 9 . 1 1 15 15 ARG C C 305 175.442 175.442 176.232 -0.790 17490 5052 1 9 . 1 1 15 15 ARG CA C 305 54.847 54.847 56.065 -1.218 17490 5053 1 9 . 1 1 15 15 ARG CB C 305 30.415 30.415 30.520 -0.105 17490 5054 1 9 . 1 1 15 15 ARG H H 305 8.872 8.872 8.669 0.203 17490 5055 1 9 . 1 1 16 16 ASN N N 306 120.536 120.536 120.542 -0.006 17490 5056 1 9 . 1 1 16 16 ASN HA H 306 4.774 4.774 4.687 0.087 17490 5057 1 9 . 1 1 16 16 ASN C C 306 175.146 175.146 176.197 -1.051 17490 5058 1 9 . 1 1 16 16 ASN CA C 306 52.434 52.434 52.977 -0.543 17490 5059 1 9 . 1 1 16 16 ASN CB C 306 38.294 38.294 38.005 0.289 17490 5060 1 9 . 1 1 16 16 ASN H H 306 8.367 8.367 7.748 0.619 17490 5061 1 9 . 1 1 17 17 SER N N 307 121.694 121.694 122.825 -1.131 17490 5062 1 9 . 1 1 17 17 SER HA H 307 4.090 4.090 4.353 -0.263 17490 5063 1 9 . 1 1 17 17 SER C C 307 175.970 175.970 174.910 1.060 17490 5064 1 9 . 1 1 17 17 SER CA C 307 61.484 61.484 59.657 1.827 17490 5065 1 9 . 1 1 17 17 SER CB C 307 62.850 62.850 62.839 0.011 17490 5066 1 9 . 1 1 17 17 SER H H 307 8.656 8.656 8.548 0.108 17490 5067 1 9 . 1 1 18 18 LYS N N 308 120.961 120.961 121.625 -0.664 17490 5068 1 9 . 1 1 18 18 LYS HA H 308 4.115 4.115 4.056 0.059 17490 5069 1 9 . 1 1 18 18 LYS C C 308 178.999 178.999 177.915 1.084 17490 5070 1 9 . 1 1 18 18 LYS CA C 308 58.606 58.606 58.717 -0.111 17490 5071 1 9 . 1 1 18 18 LYS CB C 308 31.614 31.614 32.473 -0.859 17490 5072 1 9 . 1 1 18 18 LYS H H 308 8.060 8.060 7.633 0.427 17490 5073 1 9 . 1 1 19 19 GLU N N 309 118.377 118.377 120.187 -1.810 17490 5074 1 9 . 1 1 19 19 GLU HA H 309 4.198 4.198 4.097 0.101 17490 5075 1 9 . 1 1 19 19 GLU C C 309 178.136 178.136 178.105 0.031 17490 5076 1 9 . 1 1 19 19 GLU CA C 309 57.939 57.939 59.408 -1.470 17490 5077 1 9 . 1 1 19 19 GLU CB C 309 30.115 30.115 29.746 0.369 17490 5078 1 9 . 1 1 19 19 GLU H H 309 7.520 7.520 7.595 -0.075 17490 5079 1 9 . 1 1 20 20 LEU N N 310 118.101 118.101 116.934 1.167 17490 5080 1 9 . 1 1 20 20 LEU HA H 310 4.168 4.168 4.242 -0.074 17490 5081 1 9 . 1 1 20 20 LEU C C 310 179.112 179.112 177.771 1.341 17490 5082 1 9 . 1 1 20 20 LEU CA C 310 56.583 56.583 56.239 0.344 17490 5083 1 9 . 1 1 20 20 LEU CB C 310 41.611 41.611 41.493 0.118 17490 5084 1 9 . 1 1 20 20 LEU H H 310 7.741 7.741 7.360 0.381 17490 5085 1 9 . 1 1 21 21 GLU N N 311 116.130 116.130 117.432 -1.302 17490 5086 1 9 . 1 1 21 21 GLU HA H 311 4.342 4.342 4.316 0.026 17490 5087 1 9 . 1 1 21 21 GLU C C 311 176.928 176.928 178.359 -1.431 17490 5088 1 9 . 1 1 21 21 GLU CA C 311 58.216 58.216 57.854 0.362 17490 5089 1 9 . 1 1 21 21 GLU CB C 311 29.608 29.608 30.053 -0.445 17490 5090 1 9 . 1 1 21 21 GLU H H 311 7.747 7.747 7.640 0.107 17490 5091 1 9 . 1 1 22 22 THR N N 312 106.131 106.131 116.062 -9.931 17490 5092 1 9 . 1 1 22 22 THR HA H 312 4.182 4.182 4.215 -0.033 17490 5093 1 9 . 1 1 22 22 THR C C 312 172.032 172.032 172.791 -0.759 17490 5094 1 9 . 1 1 22 22 THR CA C 312 61.539 61.539 64.082 -2.543 17490 5095 1 9 . 1 1 22 22 THR CB C 312 69.426 69.426 68.526 0.900 17490 5096 1 9 . 1 1 22 22 THR H H 312 7.446 7.446 7.867 -0.421 17490 5097 1 9 . 1 1 23 23 LEU N N 313 120.178 120.178 116.976 3.202 17490 5098 1 9 . 1 1 23 23 LEU HA H 313 5.869 5.869 5.713 0.156 17490 5099 1 9 . 1 1 23 23 LEU C C 313 175.604 175.604 174.176 1.428 17490 5100 1 9 . 1 1 23 23 LEU CA C 313 52.838 52.838 53.667 -0.829 17490 5101 1 9 . 1 1 23 23 LEU CB C 313 46.851 46.851 45.675 1.176 17490 5102 1 9 . 1 1 23 23 LEU H H 313 7.538 7.538 7.240 0.298 17490 5103 1 9 . 1 1 24 24 ILE N N 314 113.990 113.990 113.919 0.071 17490 5104 1 9 . 1 1 24 24 ILE HA H 314 4.717 4.717 4.715 0.002 17490 5105 1 9 . 1 1 24 24 ILE C C 314 173.530 173.530 173.571 -0.041 17490 5106 1 9 . 1 1 24 24 ILE CA C 314 59.368 59.368 60.396 -1.028 17490 5107 1 9 . 1 1 24 24 ILE CB C 314 42.319 42.319 42.267 0.052 17490 5108 1 9 . 1 1 24 24 ILE H H 314 8.904 8.904 8.789 0.115 17490 5109 1 9 . 1 1 25 25 CYS N N 315 117.755 117.755 119.642 -1.887 17490 5110 1 9 . 1 1 25 25 CYS HA H 315 5.914 5.914 5.527 0.387 17490 5111 1 9 . 1 1 25 25 CYS C C 315 174.153 174.153 174.382 -0.229 17490 5112 1 9 . 1 1 25 25 CYS CA C 315 57.187 57.187 56.781 0.406 17490 5113 1 9 . 1 1 25 25 CYS CB C 315 31.754 31.754 28.954 2.800 17490 5114 1 9 . 1 1 25 25 CYS H H 315 9.021 9.021 9.031 -0.010 17490 5115 1 9 . 1 1 26 26 LEU N N 316 119.952 119.952 124.571 -4.619 17490 5116 1 9 . 1 1 26 26 LEU HA H 316 5.363 5.363 4.820 0.543 17490 5117 1 9 . 1 1 26 26 LEU C C 316 176.015 176.015 175.961 0.054 17490 5118 1 9 . 1 1 26 26 LEU CA C 316 53.072 53.072 54.792 -1.720 17490 5119 1 9 . 1 1 26 26 LEU CB C 316 45.891 45.891 41.983 3.908 17490 5120 1 9 . 1 1 26 26 LEU H H 316 8.778 8.778 8.981 -0.203 17490 5121 1 9 . 1 1 27 27 PHE N N 317 116.116 116.116 124.857 -8.741 17490 5122 1 9 . 1 1 27 27 PHE HA H 317 4.158 4.158 5.347 -1.189 17490 5123 1 9 . 1 1 27 27 PHE CA C 317 55.594 55.594 54.463 1.131 17490 5124 1 9 . 1 1 27 27 PHE CB C 317 37.765 37.765 41.054 -3.289 17490 5125 1 9 . 1 1 27 27 PHE H H 317 7.827 7.827 8.921 -1.094 17490 5126 1 9 . 1 1 28 28 PRO HA H 318 5.322 5.322 4.613 0.709 17490 5127 1 9 . 1 1 28 28 PRO C C 318 175.163 175.163 175.064 0.099 17490 5128 1 9 . 1 1 28 28 PRO CA C 318 61.657 61.657 62.252 -0.595 17490 5129 1 9 . 1 1 28 28 PRO CB C 318 34.356 34.356 30.599 3.757 17490 5130 1 9 . 1 1 29 29 LEU N N 319 120.206 120.206 115.994 4.212 17490 5131 1 9 . 1 1 29 29 LEU HA H 319 4.674 4.674 4.585 0.089 17490 5132 1 9 . 1 1 29 29 LEU C C 319 176.806 176.806 175.283 1.523 17490 5133 1 9 . 1 1 29 29 LEU CA C 319 52.817 52.817 53.912 -1.095 17490 5134 1 9 . 1 1 29 29 LEU CB C 319 45.029 45.029 43.988 1.041 17490 5135 1 9 . 1 1 29 29 LEU H H 319 8.365 8.365 7.391 0.974 17490 5136 1 9 . 1 1 30 30 SER N N 320 117.220 117.220 116.766 0.454 17490 5137 1 9 . 1 1 30 30 SER HA H 320 4.475 4.475 4.469 0.006 17490 5138 1 9 . 1 1 30 30 SER C C 320 174.677 174.677 175.420 -0.743 17490 5139 1 9 . 1 1 30 30 SER CA C 320 57.768 57.768 57.877 -0.109 17490 5140 1 9 . 1 1 30 30 SER CB C 320 64.118 64.118 64.132 -0.014 17490 5141 1 9 . 1 1 30 30 SER H H 320 8.652 8.652 8.527 0.125 17490 5142 1 9 . 1 1 31 31 ASP N N 321 121.514 121.514 118.409 3.105 17490 5143 1 9 . 1 1 31 31 ASP HA H 321 4.471 4.471 4.541 -0.070 17490 5144 1 9 . 1 1 31 31 ASP C C 321 176.811 176.811 176.004 0.807 17490 5145 1 9 . 1 1 31 31 ASP CA C 321 55.388 55.388 55.187 0.201 17490 5146 1 9 . 1 1 31 31 ASP CB C 321 40.060 40.060 40.504 -0.444 17490 5147 1 9 . 1 1 31 31 ASP H H 321 8.587 8.587 8.690 -0.103 17490 5148 1 9 . 1 1 32 32 LYS N N 322 117.990 117.990 119.111 -1.121 17490 5149 1 9 . 1 1 32 32 LYS HA H 322 4.331 4.331 4.512 -0.181 17490 5150 1 9 . 1 1 32 32 LYS C C 322 176.804 176.804 175.989 0.815 17490 5151 1 9 . 1 1 32 32 LYS CA C 322 55.545 55.545 55.512 0.033 17490 5152 1 9 . 1 1 32 32 LYS CB C 322 31.942 31.942 32.672 -0.730 17490 5153 1 9 . 1 1 32 32 LYS H H 322 8.053 8.053 7.964 0.089 17490 5154 1 9 . 1 1 33 33 VAL N N 323 119.570 119.570 116.533 3.037 17490 5155 1 9 . 1 1 33 33 VAL HA H 323 3.922 3.922 4.381 -0.459 17490 5156 1 9 . 1 1 33 33 VAL C C 323 173.362 173.362 175.511 -2.149 17490 5157 1 9 . 1 1 33 33 VAL CA C 323 63.294 63.294 61.042 2.252 17490 5158 1 9 . 1 1 33 33 VAL CB C 323 32.410 32.410 32.254 0.156 17490 5159 1 9 . 1 1 33 33 VAL H H 323 7.333 7.333 7.488 -0.155 17490 5160 1 9 . 1 1 34 34 SER N N 324 118.908 118.908 115.669 3.239 17490 5161 1 9 . 1 1 34 34 SER HA H 324 5.104 5.104 4.923 0.181 17490 5162 1 9 . 1 1 34 34 SER CA C 324 55.114 55.114 55.744 -0.630 17490 5163 1 9 . 1 1 34 34 SER CB C 324 64.522 64.522 64.665 -0.143 17490 5164 1 9 . 1 1 34 34 SER H H 324 7.099 7.099 8.132 -1.033 17490 5165 1 9 . 1 1 35 35 PRO HA H 325 4.038 4.038 4.078 -0.040 17490 5166 1 9 . 1 1 35 35 PRO C C 325 178.107 178.107 178.446 -0.339 17490 5167 1 9 . 1 1 35 35 PRO CA C 325 66.275 66.275 65.545 0.730 17490 5168 1 9 . 1 1 35 35 PRO CB C 325 31.873 31.873 31.836 0.037 17490 5169 1 9 . 1 1 36 36 SER N N 326 111.480 111.480 113.249 -1.769 17490 5170 1 9 . 1 1 36 36 SER HA H 326 4.179 4.179 4.252 -0.073 17490 5171 1 9 . 1 1 36 36 SER C C 326 176.897 176.897 176.811 0.086 17490 5172 1 9 . 1 1 36 36 SER CA C 326 61.731 61.731 61.390 0.341 17490 5173 1 9 . 1 1 36 36 SER CB C 326 62.211 62.211 62.521 -0.310 17490 5174 1 9 . 1 1 36 36 SER H H 326 8.172 8.172 8.479 -0.307 17490 5175 1 9 . 1 1 37 37 LEU N N 327 123.898 123.898 122.145 1.753 17490 5176 1 9 . 1 1 37 37 LEU HA H 327 4.311 4.311 4.071 0.240 17490 5177 1 9 . 1 1 37 37 LEU C C 327 180.292 180.292 178.840 1.452 17490 5178 1 9 . 1 1 37 37 LEU CA C 327 57.921 57.921 57.442 0.479 17490 5179 1 9 . 1 1 37 37 LEU CB C 327 42.694 42.694 41.593 1.101 17490 5180 1 9 . 1 1 37 37 LEU H H 327 7.751 7.751 7.351 0.400 17490 5181 1 9 . 1 1 38 38 ILE N N 328 119.411 119.411 119.536 -0.125 17490 5182 1 9 . 1 1 38 38 ILE HA H 328 3.627 3.627 3.674 -0.047 17490 5183 1 9 . 1 1 38 38 ILE C C 328 176.884 176.884 178.077 -1.193 17490 5184 1 9 . 1 1 38 38 ILE CA C 328 65.153 65.153 65.683 -0.530 17490 5185 1 9 . 1 1 38 38 ILE CB C 328 37.446 37.446 37.984 -0.538 17490 5186 1 9 . 1 1 38 38 ILE H H 328 7.636 7.636 7.532 0.104 17490 5187 1 9 . 1 1 39 39 CYS N N 329 120.430 120.430 117.864 2.566 17490 5188 1 9 . 1 1 39 39 CYS HA H 329 3.743 3.743 4.059 -0.316 17490 5189 1 9 . 1 1 39 39 CYS C C 329 176.205 176.205 177.260 -1.055 17490 5190 1 9 . 1 1 39 39 CYS CA C 329 63.564 63.564 62.822 0.742 17490 5191 1 9 . 1 1 39 39 CYS CB C 329 26.285 26.285 26.362 -0.077 17490 5192 1 9 . 1 1 39 39 CYS H H 329 8.640 8.640 7.711 0.929 17490 5193 1 9 . 1 1 40 40 GLN N N 330 118.263 118.263 119.413 -1.150 17490 5194 1 9 . 1 1 40 40 GLN HA H 330 4.099 4.099 4.005 0.094 17490 5195 1 9 . 1 1 40 40 GLN C C 330 177.445 177.445 178.754 -1.309 17490 5196 1 9 . 1 1 40 40 GLN CA C 330 59.496 59.496 58.652 0.844 17490 5197 1 9 . 1 1 40 40 GLN CB C 330 28.469 28.469 27.891 0.578 17490 5198 1 9 . 1 1 40 40 GLN H H 330 8.213 8.213 8.044 0.169 17490 5199 1 9 . 1 1 41 41 PHE N N 331 121.411 121.411 120.795 0.616 17490 5200 1 9 . 1 1 41 41 PHE HA H 331 4.661 4.661 4.169 0.492 17490 5201 1 9 . 1 1 41 41 PHE C C 331 177.475 177.475 177.716 -0.241 17490 5202 1 9 . 1 1 41 41 PHE CA C 331 60.181 60.181 61.214 -1.033 17490 5203 1 9 . 1 1 41 41 PHE CB C 331 39.561 39.561 38.991 0.570 17490 5204 1 9 . 1 1 41 41 PHE H H 331 7.806 7.806 8.275 -0.469 17490 5205 1 9 . 1 1 42 42 LEU N N 332 119.016 119.016 118.995 0.021 17490 5206 1 9 . 1 1 42 42 LEU HA H 332 3.508 3.508 3.949 -0.441 17490 5207 1 9 . 1 1 42 42 LEU C C 332 178.495 178.495 179.164 -0.669 17490 5208 1 9 . 1 1 42 42 LEU CA C 332 57.545 57.545 57.761 -0.216 17490 5209 1 9 . 1 1 42 42 LEU CB C 332 40.880 40.880 41.518 -0.638 17490 5210 1 9 . 1 1 42 42 LEU H H 332 8.436 8.436 7.922 0.514 17490 5211 1 9 . 1 1 43 43 GLN N N 333 116.210 116.210 118.318 -2.108 17490 5212 1 9 . 1 1 43 43 GLN HA H 333 4.590 4.590 4.348 0.242 17490 5213 1 9 . 1 1 43 43 GLN C C 333 178.499 178.499 178.871 -0.372 17490 5214 1 9 . 1 1 43 43 GLN CA C 333 58.875 58.875 58.783 0.092 17490 5215 1 9 . 1 1 43 43 GLN CB C 333 30.846 30.846 28.616 2.230 17490 5216 1 9 . 1 1 43 43 GLN H H 333 8.236 8.236 8.428 -0.192 17490 5217 1 9 . 1 1 44 44 GLU N N 334 117.050 117.050 120.027 -2.977 17490 5218 1 9 . 1 1 44 44 GLU HA H 334 4.116 4.116 4.129 -0.013 17490 5219 1 9 . 1 1 44 44 GLU C C 334 177.407 177.407 178.486 -1.079 17490 5220 1 9 . 1 1 44 44 GLU CA C 334 58.756 58.756 59.420 -0.664 17490 5221 1 9 . 1 1 44 44 GLU CB C 334 30.518 30.518 29.781 0.737 17490 5222 1 9 . 1 1 44 44 GLU H H 334 8.926 8.926 8.469 0.457 17490 5223 1 9 . 1 1 45 45 GLU N N 335 114.950 114.950 116.628 -1.678 17490 5224 1 9 . 1 1 45 45 GLU HA H 335 4.354 4.354 4.060 0.294 17490 5225 1 9 . 1 1 45 45 GLU C C 335 176.873 176.873 178.425 -1.552 17490 5226 1 9 . 1 1 45 45 GLU CA C 335 57.018 57.018 57.239 -0.220 17490 5227 1 9 . 1 1 45 45 GLU CB C 335 29.537 29.537 29.916 -0.379 17490 5228 1 9 . 1 1 45 45 GLU H H 335 8.054 8.054 7.888 0.166 17490 5229 1 9 . 1 1 46 46 ILE N N 336 115.649 115.649 115.906 -0.257 17490 5230 1 9 . 1 1 46 46 ILE HA H 336 3.895 3.895 3.909 -0.014 17490 5231 1 9 . 1 1 46 46 ILE C C 336 175.873 175.873 176.264 -0.391 17490 5232 1 9 . 1 1 46 46 ILE CA C 336 58.097 58.097 61.731 -3.634 17490 5233 1 9 . 1 1 46 46 ILE CB C 336 35.077 35.077 37.832 -2.755 17490 5234 1 9 . 1 1 46 46 ILE H H 336 6.749 6.749 7.490 -0.741 17490 5235 1 9 . 1 1 47 47 HIS N N 337 111.685 111.685 112.995 -1.310 17490 5236 1 9 . 1 1 47 47 HIS HA H 337 4.520 4.520 4.327 0.193 17490 5237 1 9 . 1 1 47 47 HIS C C 337 174.787 174.787 174.183 0.604 17490 5238 1 9 . 1 1 47 47 HIS CA C 337 56.387 56.387 55.907 0.480 17490 5239 1 9 . 1 1 47 47 HIS CB C 337 24.947 24.947 27.108 -2.161 17490 5240 1 9 . 1 1 47 47 HIS H H 337 6.652 6.652 7.638 -0.986 17490 5241 1 9 . 1 1 48 48 ILE N N 338 118.069 118.069 119.165 -1.096 17490 5242 1 9 . 1 1 48 48 ILE HA H 338 4.433 4.433 4.037 0.396 17490 5243 1 9 . 1 1 48 48 ILE C C 338 175.031 175.031 175.395 -0.364 17490 5244 1 9 . 1 1 48 48 ILE CA C 338 60.737 60.737 62.360 -1.623 17490 5245 1 9 . 1 1 48 48 ILE CB C 338 38.861 38.861 38.477 0.384 17490 5246 1 9 . 1 1 48 48 ILE H H 338 7.963 7.963 7.339 0.624 17490 5247 1 9 . 1 1 49 49 ASN N N 339 123.991 123.991 122.692 1.299 17490 5248 1 9 . 1 1 49 49 ASN HA H 339 4.691 4.691 4.765 -0.074 17490 5249 1 9 . 1 1 49 49 ASN C C 339 176.381 176.381 175.136 1.245 17490 5250 1 9 . 1 1 49 49 ASN CA C 339 53.296 53.296 52.138 1.158 17490 5251 1 9 . 1 1 49 49 ASN CB C 339 40.570 40.570 40.623 -0.053 17490 5252 1 9 . 1 1 49 49 ASN H H 339 9.222 9.222 7.950 1.272 17490 5253 1 9 . 1 1 50 50 GLU N N 340 125.549 125.549 121.103 4.446 17490 5254 1 9 . 1 1 50 50 GLU HA H 340 3.792 3.792 3.915 -0.123 17490 5255 1 9 . 1 1 50 50 GLU C C 340 177.988 177.988 177.304 0.684 17490 5256 1 9 . 1 1 50 50 GLU CA C 340 59.807 59.807 59.726 0.081 17490 5257 1 9 . 1 1 50 50 GLU CB C 340 29.143 29.143 29.566 -0.423 17490 5258 1 9 . 1 1 50 50 GLU H H 340 8.971 8.971 8.877 0.094 17490 5259 1 9 . 1 1 51 51 LYS N N 341 116.019 116.019 114.867 1.152 17490 5260 1 9 . 1 1 51 51 LYS HA H 341 4.117 4.117 4.240 -0.123 17490 5261 1 9 . 1 1 51 51 LYS C C 341 177.283 177.283 177.341 -0.058 17490 5262 1 9 . 1 1 51 51 LYS CA C 341 57.718 57.718 57.528 0.190 17490 5263 1 9 . 1 1 51 51 LYS CB C 341 31.650 31.650 32.175 -0.525 17490 5264 1 9 . 1 1 51 51 LYS H H 341 8.424 8.424 7.781 0.643 17490 5265 1 9 . 1 1 52 52 ASP N N 342 117.576 117.576 119.175 -1.599 17490 5266 1 9 . 1 1 52 52 ASP HA H 342 4.444 4.444 4.545 -0.101 17490 5267 1 9 . 1 1 52 52 ASP C C 342 175.454 175.454 175.893 -0.439 17490 5268 1 9 . 1 1 52 52 ASP CA C 342 56.002 56.002 56.782 -0.780 17490 5269 1 9 . 1 1 52 52 ASP CB C 342 41.937 41.937 42.070 -0.133 17490 5270 1 9 . 1 1 52 52 ASP H H 342 7.908 7.908 8.309 -0.401 17490 5271 1 9 . 1 1 53 53 ILE N N 343 120.515 120.515 118.463 2.052 17490 5272 1 9 . 1 1 53 53 ILE HA H 343 3.875 3.875 4.137 -0.262 17490 5273 1 9 . 1 1 53 53 ILE C C 343 174.966 174.966 174.760 0.206 17490 5274 1 9 . 1 1 53 53 ILE CA C 343 61.101 61.101 60.245 0.856 17490 5275 1 9 . 1 1 53 53 ILE CB C 343 39.931 39.931 39.501 0.430 17490 5276 1 9 . 1 1 53 53 ILE H H 343 7.480 7.480 7.381 0.099 17490 5277 1 9 . 1 1 54 54 ARG N N 344 125.353 125.353 126.706 -1.353 17490 5278 1 9 . 1 1 54 54 ARG HA H 344 4.291 4.291 4.262 0.029 17490 5279 1 9 . 1 1 54 54 ARG C C 344 176.642 176.642 176.536 0.106 17490 5280 1 9 . 1 1 54 54 ARG CA C 344 57.550 57.550 57.924 -0.374 17490 5281 1 9 . 1 1 54 54 ARG CB C 344 30.848 30.848 31.568 -0.720 17490 5282 1 9 . 1 1 54 54 ARG H H 344 9.063 9.063 8.983 0.080 17490 5283 1 9 . 1 1 55 55 LYS N N 345 116.212 116.212 117.094 -0.882 17490 5284 1 9 . 1 1 55 55 LYS HA H 345 4.417 4.417 4.464 -0.047 17490 5285 1 9 . 1 1 55 55 LYS C C 345 173.004 173.004 173.825 -0.821 17490 5286 1 9 . 1 1 55 55 LYS CA C 345 55.873 55.873 55.904 -0.031 17490 5287 1 9 . 1 1 55 55 LYS CB C 345 36.582 36.582 36.562 0.020 17490 5288 1 9 . 1 1 55 55 LYS H H 345 7.569 7.569 7.649 -0.080 17490 5289 1 9 . 1 1 56 56 ILE N N 346 122.685 122.685 123.727 -1.042 17490 5290 1 9 . 1 1 56 56 ILE HA H 346 4.731 4.731 5.209 -0.478 17490 5291 1 9 . 1 1 56 56 ILE C C 346 174.163 174.163 173.634 0.529 17490 5292 1 9 . 1 1 56 56 ILE CA C 346 60.843 60.843 59.164 1.679 17490 5293 1 9 . 1 1 56 56 ILE CB C 346 40.816 40.816 40.986 -0.170 17490 5294 1 9 . 1 1 56 56 ILE H H 346 8.229 8.229 8.384 -0.155 17490 5295 1 9 . 1 1 57 57 LEU N N 347 126.095 126.095 126.655 -0.560 17490 5296 1 9 . 1 1 57 57 LEU HA H 347 4.775 4.775 4.744 0.031 17490 5297 1 9 . 1 1 57 57 LEU C C 347 175.764 175.764 174.722 1.042 17490 5298 1 9 . 1 1 57 57 LEU CA C 347 52.746 52.746 54.111 -1.365 17490 5299 1 9 . 1 1 57 57 LEU CB C 347 45.364 45.364 46.094 -0.730 17490 5300 1 9 . 1 1 57 57 LEU H H 347 9.279 9.279 8.923 0.356 17490 5301 1 9 . 1 1 58 58 LEU N N 348 122.946 122.946 123.535 -0.589 17490 5302 1 9 . 1 1 58 58 LEU HA H 348 4.338 4.338 4.464 -0.126 17490 5303 1 9 . 1 1 58 58 LEU C C 348 176.476 176.476 176.340 0.136 17490 5304 1 9 . 1 1 58 58 LEU CA C 348 55.221 55.221 55.002 0.219 17490 5305 1 9 . 1 1 58 58 LEU CB C 348 41.496 41.496 43.261 -1.765 17490 5306 1 9 . 1 1 58 58 LEU H H 348 8.925 8.925 8.515 0.410 17490 5307 1 9 . 1 1 59 59 VAL N N 349 123.378 123.378 127.470 -4.092 17490 5308 1 9 . 1 1 59 59 VAL HA H 349 4.385 4.385 4.553 -0.168 17490 5309 1 9 . 1 1 59 59 VAL C C 349 176.335 176.335 175.369 0.966 17490 5310 1 9 . 1 1 59 59 VAL CA C 349 59.595 59.595 61.674 -2.079 17490 5311 1 9 . 1 1 59 59 VAL CB C 349 31.100 31.100 30.406 0.694 17490 5312 1 9 . 1 1 59 59 VAL H H 349 8.637 8.637 8.659 -0.022 17490 5313 1 9 . 1 1 60 60 SER N N 350 124.152 124.152 119.325 4.827 17490 5314 1 9 . 1 1 60 60 SER HA H 350 3.907 3.907 4.595 -0.688 17490 5315 1 9 . 1 1 60 60 SER C C 350 177.518 177.518 174.204 3.314 17490 5316 1 9 . 1 1 60 60 SER CA C 350 62.261 62.261 59.477 2.784 17490 5317 1 9 . 1 1 60 60 SER CB C 350 62.301 62.301 63.453 -1.152 17490 5318 1 9 . 1 1 60 60 SER H H 350 8.755 8.755 8.646 0.109 17490 5319 1 9 . 1 1 61 61 ASP N N 351 119.224 119.224 120.902 -1.678 17490 5320 1 9 . 1 1 61 61 ASP HA H 351 3.964 3.964 4.304 -0.340 17490 5321 1 9 . 1 1 61 61 ASP C C 351 174.721 174.721 173.520 1.201 17490 5322 1 9 . 1 1 61 61 ASP CA C 351 56.162 56.162 52.774 3.388 17490 5323 1 9 . 1 1 61 61 ASP CB C 351 40.102 40.102 40.903 -0.801 17490 5324 1 9 . 1 1 61 61 ASP H H 351 9.011 9.011 8.283 0.728 17490 5325 1 9 . 1 1 62 62 PHE N N 352 110.179 110.179 115.126 -4.947 17490 5326 1 9 . 1 1 62 62 PHE HA H 352 3.983 3.983 4.596 -0.613 17490 5327 1 9 . 1 1 62 62 PHE C C 352 173.268 173.268 173.801 -0.533 17490 5328 1 9 . 1 1 62 62 PHE CA C 352 56.221 56.221 55.740 0.480 17490 5329 1 9 . 1 1 62 62 PHE CB C 352 39.789 39.789 37.997 1.792 17490 5330 1 9 . 1 1 62 62 PHE H H 352 6.702 6.702 7.129 -0.427 17490 5331 1 9 . 1 1 63 63 ASN N N 353 114.980 114.980 119.112 -4.132 17490 5332 1 9 . 1 1 63 63 ASN HA H 353 4.665 4.665 4.313 0.352 17490 5333 1 9 . 1 1 63 63 ASN C C 353 174.360 174.360 174.605 -0.245 17490 5334 1 9 . 1 1 63 63 ASN CA C 353 54.158 54.158 54.201 -0.043 17490 5335 1 9 . 1 1 63 63 ASN CB C 353 37.889 37.889 36.776 1.113 17490 5336 1 9 . 1 1 63 63 ASN H H 353 7.708 7.708 8.470 -0.762 17490 5337 1 9 . 1 1 64 64 GLY N N 354 102.117 102.117 103.979 -1.862 17490 5338 1 9 . 1 1 64 64 GLY C C 354 173.093 173.093 171.698 1.395 17490 5339 1 9 . 1 1 64 64 GLY CA C 354 45.413 45.413 44.286 1.127 17490 5340 1 9 . 1 1 64 64 GLY H H 354 7.722 7.722 8.423 -0.701 17490 5341 1 9 . 1 1 65 65 ALA N N 355 120.262 120.262 121.618 -1.356 17490 5342 1 9 . 1 1 65 65 ALA HA H 355 5.055 5.055 5.028 0.027 17490 5343 1 9 . 1 1 65 65 ALA C C 355 174.731 174.731 175.155 -0.424 17490 5344 1 9 . 1 1 65 65 ALA CA C 355 51.429 51.429 50.781 0.649 17490 5345 1 9 . 1 1 65 65 ALA CB C 355 22.924 22.924 21.737 1.187 17490 5346 1 9 . 1 1 65 65 ALA H H 355 8.785 8.785 8.522 0.263 17490 5347 1 9 . 1 1 66 66 ILE N N 356 121.244 121.244 126.153 -4.909 17490 5348 1 9 . 1 1 66 66 ILE HA H 356 4.711 4.711 5.004 -0.293 17490 5349 1 9 . 1 1 66 66 ILE C C 356 174.154 174.154 173.769 0.385 17490 5350 1 9 . 1 1 66 66 ILE CA C 356 60.570 60.570 60.309 0.261 17490 5351 1 9 . 1 1 66 66 ILE CB C 356 41.943 41.943 39.939 2.004 17490 5352 1 9 . 1 1 66 66 ILE H H 356 9.390 9.390 8.273 1.117 17490 5353 1 9 . 1 1 67 67 ILE N N 357 127.255 127.255 129.010 -1.755 17490 5354 1 9 . 1 1 67 67 ILE HA H 357 4.433 4.433 4.807 -0.374 17490 5355 1 9 . 1 1 67 67 ILE C C 357 174.004 174.004 174.388 -0.384 17490 5356 1 9 . 1 1 67 67 ILE CA C 357 59.826 59.826 60.145 -0.319 17490 5357 1 9 . 1 1 67 67 ILE CB C 357 38.965 38.965 42.314 -3.349 17490 5358 1 9 . 1 1 67 67 ILE H H 357 9.291 9.291 8.865 0.426 17490 5359 1 9 . 1 1 68 68 ILE N N 358 124.623 124.623 127.753 -3.130 17490 5360 1 9 . 1 1 68 68 ILE HA H 358 4.293 4.293 4.788 -0.495 17490 5361 1 9 . 1 1 68 68 ILE C C 358 176.052 176.052 175.293 0.759 17490 5362 1 9 . 1 1 68 68 ILE CA C 358 61.079 61.079 60.145 0.934 17490 5363 1 9 . 1 1 68 68 ILE CB C 358 38.373 38.373 38.145 0.228 17490 5364 1 9 . 1 1 68 68 ILE H H 358 8.681 8.681 8.726 -0.045 17490 5365 1 9 . 1 1 69 69 PHE N N 359 126.100 126.100 125.202 0.898 17490 5366 1 9 . 1 1 69 69 PHE HA H 359 5.130 5.130 4.528 0.602 17490 5367 1 9 . 1 1 69 69 PHE C C 359 175.355 175.355 176.995 -1.640 17490 5368 1 9 . 1 1 69 69 PHE CA C 359 58.156 58.156 59.765 -1.609 17490 5369 1 9 . 1 1 69 69 PHE CB C 359 41.592 41.592 39.291 2.301 17490 5370 1 9 . 1 1 69 69 PHE H H 359 9.086 9.086 8.357 0.729 17490 5371 1 9 . 1 1 70 70 ARG N N 360 115.935 115.935 118.234 -2.299 17490 5372 1 9 . 1 1 70 70 ARG HA H 360 4.068 4.068 4.211 -0.143 17490 5373 1 9 . 1 1 70 70 ARG C C 360 175.099 175.099 175.441 -0.342 17490 5374 1 9 . 1 1 70 70 ARG CA C 360 58.594 58.594 59.206 -0.612 17490 5375 1 9 . 1 1 70 70 ARG CB C 360 30.664 30.664 31.168 -0.504 17490 5376 1 9 . 1 1 70 70 ARG H H 360 8.268 8.268 8.859 -0.591 17490 5377 1 9 . 1 1 71 71 ASP N N 361 113.892 113.892 112.759 1.133 17490 5378 1 9 . 1 1 71 71 ASP HA H 361 4.880 4.880 4.741 0.139 17490 5379 1 9 . 1 1 71 71 ASP C C 361 176.087 176.087 176.044 0.043 17490 5380 1 9 . 1 1 71 71 ASP CA C 361 53.329 53.329 53.031 0.298 17490 5381 1 9 . 1 1 71 71 ASP CB C 361 44.131 44.131 43.935 0.196 17490 5382 1 9 . 1 1 71 71 ASP H H 361 7.673 7.673 7.894 -0.221 17490 5383 1 9 . 1 1 72 72 SER N N 362 118.590 118.590 118.327 0.263 17490 5384 1 9 . 1 1 72 72 SER HA H 362 4.310 4.310 4.226 0.084 17490 5385 1 9 . 1 1 72 72 SER C C 362 176.600 176.600 176.350 0.250 17490 5386 1 9 . 1 1 72 72 SER CA C 362 60.739 60.739 61.794 -1.055 17490 5387 1 9 . 1 1 72 72 SER CB C 362 62.872 62.872 62.699 0.173 17490 5388 1 9 . 1 1 72 72 SER H H 362 9.103 9.103 8.608 0.495 17490 5389 1 9 . 1 1 73 73 LYS N N 363 125.872 125.872 121.308 4.564 17490 5390 1 9 . 1 1 73 73 LYS HA H 363 4.134 4.134 3.934 0.200 17490 5391 1 9 . 1 1 73 73 LYS C C 363 179.386 179.386 178.747 0.639 17490 5392 1 9 . 1 1 73 73 LYS CA C 363 59.283 59.283 58.605 0.678 17490 5393 1 9 . 1 1 73 73 LYS CB C 363 31.491 31.491 31.592 -0.101 17490 5394 1 9 . 1 1 73 73 LYS H H 363 8.332 8.332 7.503 0.829 17490 5395 1 9 . 1 1 74 74 PHE N N 364 123.145 123.145 117.906 5.239 17490 5396 1 9 . 1 1 74 74 PHE HA H 364 3.968 3.968 4.341 -0.373 17490 5397 1 9 . 1 1 74 74 PHE C C 364 177.819 177.819 177.406 0.413 17490 5398 1 9 . 1 1 74 74 PHE CA C 364 61.588 61.588 58.678 2.910 17490 5399 1 9 . 1 1 74 74 PHE CB C 364 39.963 39.963 37.784 2.179 17490 5400 1 9 . 1 1 74 74 PHE H H 364 8.482 8.482 7.178 1.304 17490 5401 1 9 . 1 1 75 75 ALA N N 365 119.451 119.451 122.089 -2.638 17490 5402 1 9 . 1 1 75 75 ALA HA H 365 3.396 3.396 3.310 0.086 17490 5403 1 9 . 1 1 75 75 ALA C C 365 178.100 178.100 179.225 -1.125 17490 5404 1 9 . 1 1 75 75 ALA CA C 365 55.584 55.584 54.807 0.777 17490 5405 1 9 . 1 1 75 75 ALA CB C 365 18.265 18.265 17.948 0.317 17490 5406 1 9 . 1 1 75 75 ALA H H 365 7.835 7.835 8.121 -0.286 17490 5407 1 9 . 1 1 76 76 ALA N N 366 117.626 117.626 120.189 -2.563 17490 5408 1 9 . 1 1 76 76 ALA HA H 366 4.033 4.033 3.979 0.054 17490 5409 1 9 . 1 1 76 76 ALA C C 366 180.569 180.569 178.778 1.791 17490 5410 1 9 . 1 1 76 76 ALA CA C 366 54.996 54.996 54.783 0.213 17490 5411 1 9 . 1 1 76 76 ALA CB C 366 18.040 18.040 18.382 -0.342 17490 5412 1 9 . 1 1 76 76 ALA H H 366 7.680 7.680 7.624 0.056 17490 5413 1 9 . 1 1 77 77 LYS N N 367 118.273 118.273 119.498 -1.225 17490 5414 1 9 . 1 1 77 77 LYS HA H 367 3.998 3.998 4.081 -0.083 17490 5415 1 9 . 1 1 77 77 LYS C C 367 178.964 178.964 178.577 0.387 17490 5416 1 9 . 1 1 77 77 LYS CA C 367 58.803 58.803 59.078 -0.275 17490 5417 1 9 . 1 1 77 77 LYS CB C 367 32.106 32.106 32.504 -0.398 17490 5418 1 9 . 1 1 77 77 LYS H H 367 7.302 7.302 7.825 -0.523 17490 5419 1 9 . 1 1 78 78 MET N N 368 117.578 117.578 118.731 -1.153 17490 5420 1 9 . 1 1 78 78 MET HA H 368 4.273 4.273 4.250 0.023 17490 5421 1 9 . 1 1 78 78 MET C C 368 178.167 178.167 178.043 0.124 17490 5422 1 9 . 1 1 78 78 MET CA C 368 55.734 55.734 56.289 -0.555 17490 5423 1 9 . 1 1 78 78 MET CB C 368 32.382 32.382 32.099 0.284 17490 5424 1 9 . 1 1 78 78 MET H H 368 7.785 7.785 7.695 0.090 17490 5425 1 9 . 1 1 79 79 LEU N N 369 120.984 120.984 123.355 -2.371 17490 5426 1 9 . 1 1 79 79 LEU HA H 369 3.786 3.786 4.006 -0.220 17490 5427 1 9 . 1 1 79 79 LEU C C 369 179.060 179.060 178.745 0.315 17490 5428 1 9 . 1 1 79 79 LEU CA C 369 59.377 59.377 58.273 1.104 17490 5429 1 9 . 1 1 79 79 LEU CB C 369 42.354 42.354 42.005 0.348 17490 5430 1 9 . 1 1 79 79 LEU H H 369 8.197 8.197 7.917 0.280 17490 5431 1 9 . 1 1 80 80 MET N N 370 114.071 114.071 115.033 -0.962 17490 5432 1 9 . 1 1 80 80 MET HA H 370 4.277 4.277 4.222 0.055 17490 5433 1 9 . 1 1 80 80 MET C C 370 178.184 178.184 178.217 -0.033 17490 5434 1 9 . 1 1 80 80 MET CA C 370 57.627 57.627 57.289 0.338 17490 5435 1 9 . 1 1 80 80 MET CB C 370 32.543 32.543 31.940 0.603 17490 5436 1 9 . 1 1 80 80 MET H H 370 7.018 7.018 7.813 -0.795 17490 5437 1 9 . 1 1 81 81 ILE N N 371 118.056 118.056 116.606 1.450 17490 5438 1 9 . 1 1 81 81 ILE HA H 371 3.885 3.885 3.996 -0.111 17490 5439 1 9 . 1 1 81 81 ILE C C 371 177.491 177.491 177.564 -0.073 17490 5440 1 9 . 1 1 81 81 ILE CA C 371 63.571 63.571 61.786 1.785 17490 5441 1 9 . 1 1 81 81 ILE CB C 371 38.716 38.716 37.606 1.110 17490 5442 1 9 . 1 1 81 81 ILE H H 371 7.615 7.615 7.818 -0.203 17490 5443 1 9 . 1 1 82 82 LEU N N 372 116.858 116.858 119.034 -2.176 17490 5444 1 9 . 1 1 82 82 LEU HA H 372 4.100 4.100 4.380 -0.280 17490 5445 1 9 . 1 1 82 82 LEU C C 372 178.360 178.360 177.070 1.290 17490 5446 1 9 . 1 1 82 82 LEU CA C 372 55.929 55.929 55.849 0.080 17490 5447 1 9 . 1 1 82 82 LEU CB C 372 42.309 42.309 43.332 -1.023 17490 5448 1 9 . 1 1 82 82 LEU H H 372 8.160 8.160 8.111 0.049 17490 5449 1 9 . 1 1 83 83 ASN N N 373 117.015 117.015 118.335 -1.320 17490 5450 1 9 . 1 1 83 83 ASN HA H 373 4.348 4.348 4.713 -0.365 17490 5451 1 9 . 1 1 83 83 ASN C C 373 175.671 175.671 174.226 1.445 17490 5452 1 9 . 1 1 83 83 ASN CA C 373 55.793 55.793 53.880 1.913 17490 5453 1 9 . 1 1 83 83 ASN CB C 373 38.434 38.434 38.673 -0.239 17490 5454 1 9 . 1 1 83 83 ASN H H 373 7.058 7.058 7.980 -0.922 17490 5455 1 9 . 1 1 84 84 GLY N N 374 116.878 116.878 111.655 5.223 17490 5456 1 9 . 1 1 84 84 GLY C C 374 174.602 174.602 173.653 0.949 17490 5457 1 9 . 1 1 84 84 GLY CA C 374 45.842 45.842 45.391 0.451 17490 5458 1 9 . 1 1 84 84 GLY H H 374 9.053 9.053 8.058 0.995 17490 5459 1 9 . 1 1 85 85 SER N N 375 116.615 116.615 115.686 0.929 17490 5460 1 9 . 1 1 85 85 SER HA H 375 4.407 4.407 4.925 -0.518 17490 5461 1 9 . 1 1 85 85 SER C C 375 171.580 171.580 173.343 -1.763 17490 5462 1 9 . 1 1 85 85 SER CA C 375 59.280 59.280 56.289 2.991 17490 5463 1 9 . 1 1 85 85 SER CB C 375 64.303 64.303 65.768 -1.465 17490 5464 1 9 . 1 1 85 85 SER H H 375 7.666 7.666 8.195 -0.529 17490 5465 1 9 . 1 1 86 86 GLN N N 376 117.824 117.824 119.886 -2.062 17490 5466 1 9 . 1 1 86 86 GLN HA H 376 4.893 4.893 4.962 -0.069 17490 5467 1 9 . 1 1 86 86 GLN C C 376 175.033 175.033 175.002 0.031 17490 5468 1 9 . 1 1 86 86 GLN CA C 376 54.885 54.885 55.329 -0.444 17490 5469 1 9 . 1 1 86 86 GLN CB C 376 30.733 30.733 30.416 0.317 17490 5470 1 9 . 1 1 86 86 GLN H H 376 8.381 8.381 8.551 -0.170 17490 5471 1 9 . 1 1 87 87 PHE N N 377 124.095 124.095 123.951 0.144 17490 5472 1 9 . 1 1 87 87 PHE HA H 377 4.472 4.472 4.800 -0.328 17490 5473 1 9 . 1 1 87 87 PHE C C 377 174.760 174.760 174.664 0.096 17490 5474 1 9 . 1 1 87 87 PHE CA C 377 56.009 56.009 57.965 -1.956 17490 5475 1 9 . 1 1 87 87 PHE CB C 377 41.519 41.519 42.930 -1.411 17490 5476 1 9 . 1 1 87 87 PHE H H 377 8.974 8.974 9.499 -0.525 17490 5477 1 9 . 1 1 88 88 GLN N N 378 126.108 126.108 122.951 3.157 17490 5478 1 9 . 1 1 88 88 GLN HA H 378 3.505 3.505 3.710 -0.205 17490 5479 1 9 . 1 1 88 88 GLN C C 378 176.162 176.162 175.891 0.271 17490 5480 1 9 . 1 1 88 88 GLN CA C 378 56.570 56.570 56.479 0.091 17490 5481 1 9 . 1 1 88 88 GLN CB C 378 26.070 26.070 27.362 -1.292 17490 5482 1 9 . 1 1 88 88 GLN H H 378 9.139 9.139 8.754 0.385 17490 5483 1 9 . 1 1 89 89 GLY N N 379 103.132 103.132 101.508 1.624 17490 5484 1 9 . 1 1 89 89 GLY C C 379 173.587 173.587 173.854 -0.267 17490 5485 1 9 . 1 1 89 89 GLY CA C 379 45.382 45.382 44.933 0.449 17490 5486 1 9 . 1 1 89 89 GLY H H 379 8.580 8.580 8.452 0.128 17490 5487 1 9 . 1 1 90 90 LYS N N 380 119.783 119.783 119.279 0.504 17490 5488 1 9 . 1 1 90 90 LYS HA H 380 4.697 4.697 4.693 0.004 17490 5489 1 9 . 1 1 90 90 LYS C C 380 174.500 174.500 174.881 -0.381 17490 5490 1 9 . 1 1 90 90 LYS CA C 380 54.019 54.019 54.685 -0.666 17490 5491 1 9 . 1 1 90 90 LYS CB C 380 35.919 35.919 36.268 -0.349 17490 5492 1 9 . 1 1 90 90 LYS H H 380 7.457 7.457 7.841 -0.384 17490 5493 1 9 . 1 1 91 91 VAL N N 381 121.517 121.517 122.014 -0.497 17490 5494 1 9 . 1 1 91 91 VAL HA H 381 4.294 4.294 4.972 -0.678 17490 5495 1 9 . 1 1 91 91 VAL C C 381 176.729 176.729 175.788 0.941 17490 5496 1 9 . 1 1 91 91 VAL CA C 381 63.176 63.176 61.484 1.692 17490 5497 1 9 . 1 1 91 91 VAL CB C 381 32.073 32.073 32.403 -0.330 17490 5498 1 9 . 1 1 91 91 VAL H H 381 8.256 8.256 8.523 -0.267 17490 5499 1 9 . 1 1 92 92 ILE N N 382 124.746 124.746 123.900 0.846 17490 5500 1 9 . 1 1 92 92 ILE HA H 382 4.533 4.533 4.773 -0.240 17490 5501 1 9 . 1 1 92 92 ILE C C 382 173.501 173.501 174.723 -1.222 17490 5502 1 9 . 1 1 92 92 ILE CA C 382 59.249 59.249 59.928 -0.679 17490 5503 1 9 . 1 1 92 92 ILE CB C 382 41.995 41.995 39.423 2.572 17490 5504 1 9 . 1 1 92 92 ILE H H 382 8.788 8.788 8.539 0.249 17490 5505 1 9 . 1 1 93 93 ARG N N 383 119.723 119.723 122.484 -2.761 17490 5506 1 9 . 1 1 93 93 ARG HA H 383 4.608 4.608 4.920 -0.312 17490 5507 1 9 . 1 1 93 93 ARG C C 383 173.979 173.979 174.462 -0.483 17490 5508 1 9 . 1 1 93 93 ARG CA C 383 53.178 53.178 54.097 -0.919 17490 5509 1 9 . 1 1 93 93 ARG CB C 383 31.724 31.724 33.633 -1.909 17490 5510 1 9 . 1 1 93 93 ARG H H 383 8.500 8.500 8.592 -0.092 17490 5511 1 9 . 1 1 94 94 SER N N 384 110.386 110.386 113.814 -3.428 17490 5512 1 9 . 1 1 94 94 SER HA H 384 5.685 5.685 5.200 0.485 17490 5513 1 9 . 1 1 94 94 SER C C 384 174.791 174.791 173.343 1.448 17490 5514 1 9 . 1 1 94 94 SER CA C 384 54.419 54.419 56.722 -2.303 17490 5515 1 9 . 1 1 94 94 SER CB C 384 67.147 67.147 66.552 0.595 17490 5516 1 9 . 1 1 94 94 SER H H 384 7.700 7.700 8.285 -0.585 17490 5517 1 9 . 1 1 95 95 GLY N N 385 106.738 106.738 106.552 0.186 17490 5518 1 9 . 1 1 95 95 GLY C C 385 171.619 171.619 172.495 -0.876 17490 5519 1 9 . 1 1 95 95 GLY CA C 385 45.904 45.904 46.206 -0.302 17490 5520 1 9 . 1 1 95 95 GLY H H 385 8.360 8.360 8.472 -0.112 17490 5521 1 9 . 1 1 96 96 THR N N 386 111.493 111.493 113.603 -2.110 17490 5522 1 9 . 1 1 96 96 THR HA H 386 4.604 4.604 4.845 -0.241 17490 5523 1 9 . 1 1 96 96 THR C C 386 175.600 175.600 176.149 -0.549 17490 5524 1 9 . 1 1 96 96 THR CA C 386 60.901 60.901 60.896 0.005 17490 5525 1 9 . 1 1 96 96 THR CB C 386 71.709 71.709 71.211 0.498 17490 5526 1 9 . 1 1 96 96 THR H H 386 9.274 9.274 8.038 1.236 17490 5527 1 9 . 1 1 97 97 ILE N N 387 121.293 121.293 117.864 3.429 17490 5528 1 9 . 1 1 97 97 ILE HA H 387 3.881 3.881 3.923 -0.042 17490 5529 1 9 . 1 1 97 97 ILE C C 387 178.109 178.109 177.258 0.851 17490 5530 1 9 . 1 1 97 97 ILE CA C 387 65.826 65.826 64.156 1.670 17490 5531 1 9 . 1 1 97 97 ILE CB C 387 37.717 37.717 37.717 -0.000 17490 5532 1 9 . 1 1 97 97 ILE H H 387 9.339 9.339 8.174 1.165 17490 5533 1 9 . 1 1 98 98 ASN N N 388 117.358 117.358 118.735 -1.377 17490 5534 1 9 . 1 1 98 98 ASN HA H 388 4.224 4.224 4.335 -0.111 17490 5535 1 9 . 1 1 98 98 ASN C C 388 178.040 178.040 176.821 1.219 17490 5536 1 9 . 1 1 98 98 ASN CA C 388 56.205 56.205 56.161 0.044 17490 5537 1 9 . 1 1 98 98 ASN CB C 388 37.719 37.719 38.190 -0.471 17490 5538 1 9 . 1 1 98 98 ASN H H 388 8.162 8.162 8.520 -0.358 17490 5539 1 9 . 1 1 99 99 ASP N N 389 121.336 121.336 119.787 1.549 17490 5540 1 9 . 1 1 99 99 ASP HA H 389 4.236 4.236 3.998 0.238 17490 5541 1 9 . 1 1 99 99 ASP C C 389 177.813 177.813 177.483 0.330 17490 5542 1 9 . 1 1 99 99 ASP CA C 389 57.639 57.639 57.550 0.089 17490 5543 1 9 . 1 1 99 99 ASP CB C 389 40.497 40.497 40.554 -0.057 17490 5544 1 9 . 1 1 99 99 ASP H H 389 7.865 7.865 8.311 -0.446 17490 5545 1 9 . 1 1 100 100 MET N N 390 122.932 122.932 116.751 6.181 17490 5546 1 9 . 1 1 100 100 MET HA H 390 4.499 4.499 4.289 0.210 17490 5547 1 9 . 1 1 100 100 MET C C 390 178.081 178.081 177.860 0.221 17490 5548 1 9 . 1 1 100 100 MET CA C 390 58.402 58.402 58.882 -0.479 17490 5549 1 9 . 1 1 100 100 MET CB C 390 32.263 32.263 32.660 -0.397 17490 5550 1 9 . 1 1 100 100 MET H H 390 7.874 7.874 7.335 0.539 17490 5551 1 9 . 1 1 101 101 LYS N N 391 118.764 118.764 120.163 -1.399 17490 5552 1 9 . 1 1 101 101 LYS HA H 391 3.484 3.484 4.339 -0.855 17490 5553 1 9 . 1 1 101 101 LYS C C 391 178.102 178.102 179.422 -1.320 17490 5554 1 9 . 1 1 101 101 LYS CA C 391 60.070 60.070 59.094 0.976 17490 5555 1 9 . 1 1 101 101 LYS CB C 391 32.468 32.468 31.706 0.762 17490 5556 1 9 . 1 1 101 101 LYS H H 391 7.994 7.994 7.637 0.357 17490 5557 1 9 . 1 1 102 102 ARG N N 392 118.974 118.974 119.953 -0.979 17490 5558 1 9 . 1 1 102 102 ARG HA H 392 3.971 3.971 4.083 -0.112 17490 5559 1 9 . 1 1 102 102 ARG C C 392 178.433 178.433 178.798 -0.365 17490 5560 1 9 . 1 1 102 102 ARG CA C 392 59.485 59.485 58.585 0.900 17490 5561 1 9 . 1 1 102 102 ARG CB C 392 30.282 30.282 29.583 0.699 17490 5562 1 9 . 1 1 102 102 ARG H H 392 8.088 8.088 7.913 0.175 17490 5563 1 9 . 1 1 103 103 TYR N N 393 119.904 119.904 119.232 0.672 17490 5564 1 9 . 1 1 103 103 TYR HA H 393 4.017 4.017 4.048 -0.031 17490 5565 1 9 . 1 1 103 103 TYR C C 393 177.819 177.819 178.438 -0.619 17490 5566 1 9 . 1 1 103 103 TYR CA C 393 61.926 61.926 58.942 2.984 17490 5567 1 9 . 1 1 103 103 TYR CB C 393 39.373 39.373 36.865 2.508 17490 5568 1 9 . 1 1 103 103 TYR H H 393 8.058 8.058 7.674 0.384 17490 5569 1 9 . 1 1 104 104 TYR N N 394 119.418 119.418 120.814 -1.396 17490 5570 1 9 . 1 1 104 104 TYR HA H 394 4.167 4.167 4.255 -0.088 17490 5571 1 9 . 1 1 104 104 TYR C C 394 177.920 177.920 177.122 0.798 17490 5572 1 9 . 1 1 104 104 TYR CA C 394 61.764 61.764 60.613 1.151 17490 5573 1 9 . 1 1 104 104 TYR CB C 394 39.162 39.162 38.340 0.821 17490 5574 1 9 . 1 1 104 104 TYR H H 394 7.846 7.846 8.718 -0.872 17490 5575 1 9 . 1 1 105 105 ASN N N 395 117.373 117.373 118.063 -0.690 17490 5576 1 9 . 1 1 105 105 ASN HA H 395 4.414 4.414 3.918 0.496 17490 5577 1 9 . 1 1 105 105 ASN C C 395 176.906 176.906 177.356 -0.450 17490 5578 1 9 . 1 1 105 105 ASN CA C 395 55.691 55.691 56.547 -0.856 17490 5579 1 9 . 1 1 105 105 ASN CB C 395 38.472 38.472 38.054 0.418 17490 5580 1 9 . 1 1 105 105 ASN H H 395 8.499 8.499 8.146 0.353 17490 5581 1 9 . 1 1 106 106 ASN N N 396 118.101 118.101 118.124 -0.023 17490 5582 1 9 . 1 1 106 106 ASN HA H 396 4.531 4.531 4.417 0.114 17490 5583 1 9 . 1 1 106 106 ASN C C 396 176.450 176.450 176.445 0.005 17490 5584 1 9 . 1 1 106 106 ASN CA C 396 54.775 54.775 55.965 -1.190 17490 5585 1 9 . 1 1 106 106 ASN CB C 396 38.543 38.543 38.410 0.133 17490 5586 1 9 . 1 1 106 106 ASN H H 396 8.081 8.081 8.208 -0.127 17490 5587 1 9 . 1 1 107 107 GLN N N 397 118.903 118.903 119.061 -0.158 17490 5588 1 9 . 1 1 107 107 GLN HA H 397 3.977 3.977 4.291 -0.314 17490 5589 1 9 . 1 1 107 107 GLN C C 397 176.907 176.907 177.209 -0.302 17490 5590 1 9 . 1 1 107 107 GLN CA C 397 56.815 56.815 57.802 -0.987 17490 5591 1 9 . 1 1 107 107 GLN CB C 397 28.610 28.610 29.109 -0.499 17490 5592 1 9 . 1 1 107 107 GLN H H 397 7.772 7.772 7.448 0.324 17490 5593 1 9 . 1 1 108 108 GLN N N 398 118.101 118.101 118.568 -0.467 17490 5594 1 9 . 1 1 108 108 GLN HA H 398 3.920 3.920 4.080 -0.160 17490 5595 1 9 . 1 1 108 108 GLN C C 398 176.321 176.321 176.347 -0.026 17490 5596 1 9 . 1 1 108 108 GLN CA C 398 56.554 56.554 57.302 -0.748 17490 5597 1 9 . 1 1 108 108 GLN CB C 398 28.650 28.650 29.375 -0.725 17490 5598 1 9 . 1 1 108 108 GLN H H 398 7.854 7.854 7.925 -0.071 17490 5599 1 10 . 1 1 3 3 LEU N N 293 125.082 125.082 125.389 -0.307 17490 5600 1 10 . 1 1 3 3 LEU HA H 293 4.292 4.292 4.658 -0.366 17490 5601 1 10 . 1 1 3 3 LEU C C 293 177.442 177.442 177.225 0.217 17490 5602 1 10 . 1 1 3 3 LEU CA C 293 55.523 55.523 54.364 1.159 17490 5603 1 10 . 1 1 3 3 LEU CB C 293 42.516 42.516 43.684 -1.168 17490 5604 1 10 . 1 1 3 3 LEU H H 293 8.321 8.321 8.525 -0.204 17490 5605 1 10 . 1 1 4 4 GLU N N 294 122.906 122.906 126.225 -3.319 17490 5606 1 10 . 1 1 4 4 GLU HA H 294 4.069 4.069 3.871 0.198 17490 5607 1 10 . 1 1 4 4 GLU C C 294 177.158 177.158 178.417 -1.259 17490 5608 1 10 . 1 1 4 4 GLU CA C 294 58.307 58.307 59.802 -1.495 17490 5609 1 10 . 1 1 4 4 GLU CB C 294 29.676 29.676 29.110 0.566 17490 5610 1 10 . 1 1 4 4 GLU H H 294 8.521 8.521 9.003 -0.482 17490 5611 1 10 . 1 1 5 5 ARG N N 295 120.270 120.270 118.178 2.092 17490 5612 1 10 . 1 1 5 5 ARG HA H 295 4.131 4.131 4.017 0.114 17490 5613 1 10 . 1 1 5 5 ARG C C 295 177.768 177.768 178.860 -1.092 17490 5614 1 10 . 1 1 5 5 ARG CA C 295 58.082 58.082 59.775 -1.693 17490 5615 1 10 . 1 1 5 5 ARG CB C 295 30.192 30.192 29.886 0.306 17490 5616 1 10 . 1 1 5 5 ARG H H 295 8.327 8.327 8.620 -0.293 17490 5617 1 10 . 1 1 6 6 ASN N N 296 118.639 118.639 117.976 0.663 17490 5618 1 10 . 1 1 6 6 ASN HA H 296 4.554 4.554 4.617 -0.063 17490 5619 1 10 . 1 1 6 6 ASN C C 296 176.830 176.830 177.232 -0.402 17490 5620 1 10 . 1 1 6 6 ASN CA C 296 54.901 54.901 55.943 -1.042 17490 5621 1 10 . 1 1 6 6 ASN CB C 296 38.115 38.115 38.484 -0.369 17490 5622 1 10 . 1 1 6 6 ASN H H 296 8.257 8.257 7.895 0.362 17490 5623 1 10 . 1 1 7 7 GLU N N 297 123.935 123.935 120.668 3.267 17490 5624 1 10 . 1 1 7 7 GLU HA H 297 4.266 4.266 4.182 0.084 17490 5625 1 10 . 1 1 7 7 GLU C C 297 178.102 178.102 179.257 -1.155 17490 5626 1 10 . 1 1 7 7 GLU CA C 297 58.897 58.897 59.517 -0.620 17490 5627 1 10 . 1 1 7 7 GLU CB C 297 29.814 29.814 29.594 0.220 17490 5628 1 10 . 1 1 7 7 GLU H H 297 8.185 8.185 8.475 -0.290 17490 5629 1 10 . 1 1 8 8 VAL N N 298 118.916 118.916 120.673 -1.757 17490 5630 1 10 . 1 1 8 8 VAL HA H 298 3.399 3.399 3.627 -0.228 17490 5631 1 10 . 1 1 8 8 VAL C C 298 177.131 177.131 177.916 -0.785 17490 5632 1 10 . 1 1 8 8 VAL CA C 298 67.619 67.619 66.836 0.783 17490 5633 1 10 . 1 1 8 8 VAL CB C 298 32.041 32.041 31.513 0.528 17490 5634 1 10 . 1 1 8 8 VAL H H 298 8.095 8.095 8.769 -0.674 17490 5635 1 10 . 1 1 9 9 LYS N N 299 117.791 117.791 119.936 -2.145 17490 5636 1 10 . 1 1 9 9 LYS HA H 299 3.804 3.804 4.071 -0.267 17490 5637 1 10 . 1 1 9 9 LYS C C 299 179.259 179.259 178.568 0.691 17490 5638 1 10 . 1 1 9 9 LYS CA C 299 59.806 59.806 59.492 0.314 17490 5639 1 10 . 1 1 9 9 LYS CB C 299 32.290 32.290 32.344 -0.054 17490 5640 1 10 . 1 1 9 9 LYS H H 299 7.771 7.771 7.795 -0.024 17490 5641 1 10 . 1 1 10 10 ARG N N 300 119.032 119.032 119.540 -0.508 17490 5642 1 10 . 1 1 10 10 ARG HA H 300 3.934 3.934 4.109 -0.175 17490 5643 1 10 . 1 1 10 10 ARG C C 300 179.680 179.680 178.975 0.705 17490 5644 1 10 . 1 1 10 10 ARG CA C 300 59.444 59.444 59.256 0.188 17490 5645 1 10 . 1 1 10 10 ARG CB C 300 30.190 30.190 30.069 0.121 17490 5646 1 10 . 1 1 10 10 ARG H H 300 7.834 7.834 8.340 -0.506 17490 5647 1 10 . 1 1 11 11 LEU N N 301 120.881 120.881 118.404 2.477 17490 5648 1 10 . 1 1 11 11 LEU HA H 301 3.890 3.890 4.148 -0.258 17490 5649 1 10 . 1 1 11 11 LEU C C 301 178.937 178.937 178.194 0.743 17490 5650 1 10 . 1 1 11 11 LEU CA C 301 58.067 58.067 56.300 1.767 17490 5651 1 10 . 1 1 11 11 LEU CB C 301 42.051 42.051 42.182 -0.131 17490 5652 1 10 . 1 1 11 11 LEU H H 301 8.147 8.147 7.925 0.222 17490 5653 1 10 . 1 1 12 12 LEU N N 302 116.294 116.294 118.407 -2.113 17490 5654 1 10 . 1 1 12 12 LEU HA H 302 3.874 3.874 3.960 -0.086 17490 5655 1 10 . 1 1 12 12 LEU C C 302 177.360 177.360 178.693 -1.333 17490 5656 1 10 . 1 1 12 12 LEU CA C 302 57.498 57.498 57.329 0.169 17490 5657 1 10 . 1 1 12 12 LEU CB C 302 41.506 41.506 42.160 -0.654 17490 5658 1 10 . 1 1 12 12 LEU H H 302 8.331 8.331 7.597 0.734 17490 5659 1 10 . 1 1 13 13 ALA N N 303 117.998 117.998 118.838 -0.840 17490 5660 1 10 . 1 1 13 13 ALA HA H 303 4.480 4.480 4.285 0.195 17490 5661 1 10 . 1 1 13 13 ALA C C 303 177.554 177.554 177.769 -0.215 17490 5662 1 10 . 1 1 13 13 ALA CA C 303 51.290 51.290 52.190 -0.900 17490 5663 1 10 . 1 1 13 13 ALA CB C 303 19.810 19.810 19.549 0.261 17490 5664 1 10 . 1 1 13 13 ALA H H 303 7.109 7.109 7.796 -0.687 17490 5665 1 10 . 1 1 14 14 SER N N 304 114.833 114.833 115.016 -0.183 17490 5666 1 10 . 1 1 14 14 SER HA H 304 4.175 4.175 4.115 0.060 17490 5667 1 10 . 1 1 14 14 SER C C 304 175.762 175.762 175.093 0.669 17490 5668 1 10 . 1 1 14 14 SER CA C 304 59.344 59.344 59.476 -0.132 17490 5669 1 10 . 1 1 14 14 SER CB C 304 63.704 63.704 63.408 0.296 17490 5670 1 10 . 1 1 14 14 SER H H 304 7.265 7.265 7.901 -0.636 17490 5671 1 10 . 1 1 15 15 ARG N N 305 125.370 125.370 126.550 -1.180 17490 5672 1 10 . 1 1 15 15 ARG HA H 305 4.555 4.555 4.394 0.162 17490 5673 1 10 . 1 1 15 15 ARG C C 305 175.442 175.442 176.633 -1.191 17490 5674 1 10 . 1 1 15 15 ARG CA C 305 54.847 54.847 56.082 -1.235 17490 5675 1 10 . 1 1 15 15 ARG CB C 305 30.415 30.415 30.669 -0.254 17490 5676 1 10 . 1 1 15 15 ARG H H 305 8.872 8.872 8.655 0.217 17490 5677 1 10 . 1 1 16 16 ASN N N 306 120.536 120.536 119.716 0.820 17490 5678 1 10 . 1 1 16 16 ASN HA H 306 4.774 4.774 4.720 0.054 17490 5679 1 10 . 1 1 16 16 ASN C C 306 175.146 175.146 176.137 -0.991 17490 5680 1 10 . 1 1 16 16 ASN CA C 306 52.434 52.434 52.647 -0.213 17490 5681 1 10 . 1 1 16 16 ASN CB C 306 38.294 38.294 37.908 0.386 17490 5682 1 10 . 1 1 16 16 ASN H H 306 8.367 8.367 8.030 0.337 17490 5683 1 10 . 1 1 17 17 SER N N 307 121.694 121.694 122.388 -0.694 17490 5684 1 10 . 1 1 17 17 SER HA H 307 4.090 4.090 4.193 -0.103 17490 5685 1 10 . 1 1 17 17 SER C C 307 175.970 175.970 175.369 0.601 17490 5686 1 10 . 1 1 17 17 SER CA C 307 61.484 61.484 60.800 0.684 17490 5687 1 10 . 1 1 17 17 SER CB C 307 62.850 62.850 63.130 -0.280 17490 5688 1 10 . 1 1 17 17 SER H H 307 8.656 8.656 8.484 0.172 17490 5689 1 10 . 1 1 18 18 LYS N N 308 120.961 120.961 122.048 -1.087 17490 5690 1 10 . 1 1 18 18 LYS HA H 308 4.115 4.115 4.020 0.095 17490 5691 1 10 . 1 1 18 18 LYS C C 308 178.999 178.999 178.399 0.600 17490 5692 1 10 . 1 1 18 18 LYS CA C 308 58.606 58.606 59.098 -0.492 17490 5693 1 10 . 1 1 18 18 LYS CB C 308 31.614 31.614 32.473 -0.859 17490 5694 1 10 . 1 1 18 18 LYS H H 308 8.060 8.060 7.736 0.324 17490 5695 1 10 . 1 1 19 19 GLU N N 309 118.377 118.377 118.983 -0.606 17490 5696 1 10 . 1 1 19 19 GLU HA H 309 4.198 4.198 4.313 -0.115 17490 5697 1 10 . 1 1 19 19 GLU C C 309 178.136 178.136 178.367 -0.231 17490 5698 1 10 . 1 1 19 19 GLU CA C 309 57.939 57.939 58.734 -0.795 17490 5699 1 10 . 1 1 19 19 GLU CB C 309 30.115 30.115 29.900 0.215 17490 5700 1 10 . 1 1 19 19 GLU H H 309 7.520 7.520 7.622 -0.102 17490 5701 1 10 . 1 1 20 20 LEU N N 310 118.101 118.101 117.693 0.408 17490 5702 1 10 . 1 1 20 20 LEU HA H 310 4.168 4.168 4.219 -0.051 17490 5703 1 10 . 1 1 20 20 LEU C C 310 179.112 179.112 177.877 1.235 17490 5704 1 10 . 1 1 20 20 LEU CA C 310 56.583 56.583 56.393 0.190 17490 5705 1 10 . 1 1 20 20 LEU CB C 310 41.611 41.611 41.122 0.489 17490 5706 1 10 . 1 1 20 20 LEU H H 310 7.741 7.741 7.386 0.355 17490 5707 1 10 . 1 1 21 21 GLU N N 311 116.130 116.130 119.230 -3.100 17490 5708 1 10 . 1 1 21 21 GLU HA H 311 4.342 4.342 4.187 0.155 17490 5709 1 10 . 1 1 21 21 GLU C C 311 176.928 176.928 179.415 -2.487 17490 5710 1 10 . 1 1 21 21 GLU CA C 311 58.216 58.216 58.538 -0.322 17490 5711 1 10 . 1 1 21 21 GLU CB C 311 29.608 29.608 29.559 0.049 17490 5712 1 10 . 1 1 21 21 GLU H H 311 7.747 7.747 7.757 -0.010 17490 5713 1 10 . 1 1 22 22 THR N N 312 106.131 106.131 117.190 -11.059 17490 5714 1 10 . 1 1 22 22 THR HA H 312 4.182 4.182 4.005 0.177 17490 5715 1 10 . 1 1 22 22 THR C C 312 172.032 172.032 175.615 -3.583 17490 5716 1 10 . 1 1 22 22 THR CA C 312 61.539 61.539 65.779 -4.240 17490 5717 1 10 . 1 1 22 22 THR CB C 312 69.426 69.426 69.209 0.217 17490 5718 1 10 . 1 1 22 22 THR H H 312 7.446 7.446 7.900 -0.454 17490 5719 1 10 . 1 1 23 23 LEU N N 313 120.178 120.178 116.532 3.646 17490 5720 1 10 . 1 1 23 23 LEU HA H 313 5.869 5.869 5.043 0.826 17490 5721 1 10 . 1 1 23 23 LEU C C 313 175.604 175.604 175.198 0.406 17490 5722 1 10 . 1 1 23 23 LEU CA C 313 52.838 52.838 54.093 -1.256 17490 5723 1 10 . 1 1 23 23 LEU CB C 313 46.851 46.851 44.656 2.195 17490 5724 1 10 . 1 1 23 23 LEU H H 313 7.538 7.538 7.997 -0.459 17490 5725 1 10 . 1 1 24 24 ILE N N 314 113.990 113.990 110.023 3.967 17490 5726 1 10 . 1 1 24 24 ILE HA H 314 4.717 4.717 4.605 0.112 17490 5727 1 10 . 1 1 24 24 ILE C C 314 173.530 173.530 173.742 -0.212 17490 5728 1 10 . 1 1 24 24 ILE CA C 314 59.368 59.368 59.367 0.001 17490 5729 1 10 . 1 1 24 24 ILE CB C 314 42.319 42.319 41.223 1.096 17490 5730 1 10 . 1 1 24 24 ILE H H 314 8.904 8.904 8.268 0.635 17490 5731 1 10 . 1 1 25 25 CYS N N 315 117.755 117.755 119.885 -2.130 17490 5732 1 10 . 1 1 25 25 CYS HA H 315 5.914 5.914 4.905 1.009 17490 5733 1 10 . 1 1 25 25 CYS C C 315 174.153 174.153 174.344 -0.191 17490 5734 1 10 . 1 1 25 25 CYS CA C 315 57.187 57.187 57.817 -0.630 17490 5735 1 10 . 1 1 25 25 CYS CB C 315 31.754 31.754 28.500 3.254 17490 5736 1 10 . 1 1 25 25 CYS H H 315 9.021 9.021 8.903 0.118 17490 5737 1 10 . 1 1 26 26 LEU N N 316 119.952 119.952 126.500 -6.548 17490 5738 1 10 . 1 1 26 26 LEU HA H 316 5.363 5.363 4.842 0.521 17490 5739 1 10 . 1 1 26 26 LEU C C 316 176.015 176.015 175.603 0.412 17490 5740 1 10 . 1 1 26 26 LEU CA C 316 53.072 53.072 55.065 -1.993 17490 5741 1 10 . 1 1 26 26 LEU CB C 316 45.891 45.891 43.342 2.549 17490 5742 1 10 . 1 1 26 26 LEU H H 316 8.778 8.778 9.139 -0.361 17490 5743 1 10 . 1 1 27 27 PHE N N 317 116.116 116.116 124.532 -8.416 17490 5744 1 10 . 1 1 27 27 PHE HA H 317 4.158 4.158 4.976 -0.818 17490 5745 1 10 . 1 1 27 27 PHE CA C 317 55.594 55.594 54.721 0.873 17490 5746 1 10 . 1 1 27 27 PHE CB C 317 37.765 37.765 40.845 -3.080 17490 5747 1 10 . 1 1 27 27 PHE H H 317 7.827 7.827 8.883 -1.056 17490 5748 1 10 . 1 1 28 28 PRO HA H 318 5.322 5.322 4.694 0.628 17490 5749 1 10 . 1 1 28 28 PRO C C 318 175.163 175.163 174.872 0.291 17490 5750 1 10 . 1 1 28 28 PRO CA C 318 61.657 61.657 62.114 -0.457 17490 5751 1 10 . 1 1 28 28 PRO CB C 318 34.356 34.356 31.422 2.934 17490 5752 1 10 . 1 1 29 29 LEU N N 319 120.206 120.206 118.766 1.440 17490 5753 1 10 . 1 1 29 29 LEU HA H 319 4.674 4.674 4.550 0.124 17490 5754 1 10 . 1 1 29 29 LEU C C 319 176.806 176.806 176.303 0.503 17490 5755 1 10 . 1 1 29 29 LEU CA C 319 52.817 52.817 53.516 -0.699 17490 5756 1 10 . 1 1 29 29 LEU CB C 319 45.029 45.029 43.539 1.490 17490 5757 1 10 . 1 1 29 29 LEU H H 319 8.365 8.365 7.533 0.832 17490 5758 1 10 . 1 1 30 30 SER N N 320 117.220 117.220 117.987 -0.767 17490 5759 1 10 . 1 1 30 30 SER HA H 320 4.475 4.475 4.340 0.135 17490 5760 1 10 . 1 1 30 30 SER C C 320 174.677 174.677 175.015 -0.338 17490 5761 1 10 . 1 1 30 30 SER CA C 320 57.768 57.768 58.212 -0.443 17490 5762 1 10 . 1 1 30 30 SER CB C 320 64.118 64.118 63.752 0.366 17490 5763 1 10 . 1 1 30 30 SER H H 320 8.652 8.652 8.253 0.399 17490 5764 1 10 . 1 1 31 31 ASP N N 321 121.514 121.514 119.177 2.337 17490 5765 1 10 . 1 1 31 31 ASP HA H 321 4.471 4.471 4.618 -0.147 17490 5766 1 10 . 1 1 31 31 ASP C C 321 176.811 176.811 176.322 0.489 17490 5767 1 10 . 1 1 31 31 ASP CA C 321 55.388 55.388 55.358 0.030 17490 5768 1 10 . 1 1 31 31 ASP CB C 321 40.060 40.060 41.010 -0.950 17490 5769 1 10 . 1 1 31 31 ASP H H 321 8.587 8.587 8.623 -0.036 17490 5770 1 10 . 1 1 32 32 LYS N N 322 117.990 117.990 119.498 -1.508 17490 5771 1 10 . 1 1 32 32 LYS HA H 322 4.331 4.331 4.495 -0.164 17490 5772 1 10 . 1 1 32 32 LYS C C 322 176.804 176.804 175.272 1.532 17490 5773 1 10 . 1 1 32 32 LYS CA C 322 55.545 55.545 54.780 0.765 17490 5774 1 10 . 1 1 32 32 LYS CB C 322 31.942 31.942 32.919 -0.977 17490 5775 1 10 . 1 1 32 32 LYS H H 322 8.053 8.053 7.921 0.132 17490 5776 1 10 . 1 1 33 33 VAL N N 323 119.570 119.570 116.099 3.471 17490 5777 1 10 . 1 1 33 33 VAL HA H 323 3.922 3.922 4.309 -0.387 17490 5778 1 10 . 1 1 33 33 VAL C C 323 173.362 173.362 175.730 -2.368 17490 5779 1 10 . 1 1 33 33 VAL CA C 323 63.294 63.294 60.797 2.497 17490 5780 1 10 . 1 1 33 33 VAL CB C 323 32.410 32.410 33.093 -0.683 17490 5781 1 10 . 1 1 33 33 VAL H H 323 7.333 7.333 7.658 -0.325 17490 5782 1 10 . 1 1 34 34 SER N N 324 118.908 118.908 117.855 1.053 17490 5783 1 10 . 1 1 34 34 SER HA H 324 5.104 5.104 4.835 0.269 17490 5784 1 10 . 1 1 34 34 SER CA C 324 55.114 55.114 54.857 0.257 17490 5785 1 10 . 1 1 34 34 SER CB C 324 64.522 64.522 65.073 -0.551 17490 5786 1 10 . 1 1 34 34 SER H H 324 7.099 7.099 7.800 -0.701 17490 5787 1 10 . 1 1 35 35 PRO HA H 325 4.038 4.038 4.176 -0.138 17490 5788 1 10 . 1 1 35 35 PRO C C 325 178.107 178.107 178.309 -0.202 17490 5789 1 10 . 1 1 35 35 PRO CA C 325 66.275 66.275 65.408 0.867 17490 5790 1 10 . 1 1 35 35 PRO CB C 325 31.873 31.873 31.766 0.107 17490 5791 1 10 . 1 1 36 36 SER N N 326 111.480 111.480 115.015 -3.535 17490 5792 1 10 . 1 1 36 36 SER HA H 326 4.179 4.179 4.277 -0.098 17490 5793 1 10 . 1 1 36 36 SER C C 326 176.897 176.897 176.926 -0.029 17490 5794 1 10 . 1 1 36 36 SER CA C 326 61.731 61.731 61.134 0.597 17490 5795 1 10 . 1 1 36 36 SER CB C 326 62.211 62.211 62.366 -0.155 17490 5796 1 10 . 1 1 36 36 SER H H 326 8.172 8.172 8.381 -0.209 17490 5797 1 10 . 1 1 37 37 LEU N N 327 123.898 123.898 122.749 1.149 17490 5798 1 10 . 1 1 37 37 LEU HA H 327 4.311 4.311 3.977 0.334 17490 5799 1 10 . 1 1 37 37 LEU C C 327 180.292 180.292 178.944 1.348 17490 5800 1 10 . 1 1 37 37 LEU CA C 327 57.921 57.921 57.770 0.151 17490 5801 1 10 . 1 1 37 37 LEU CB C 327 42.694 42.694 41.289 1.405 17490 5802 1 10 . 1 1 37 37 LEU H H 327 7.751 7.751 8.001 -0.250 17490 5803 1 10 . 1 1 38 38 ILE N N 328 119.411 119.411 119.888 -0.477 17490 5804 1 10 . 1 1 38 38 ILE HA H 328 3.627 3.627 3.645 -0.018 17490 5805 1 10 . 1 1 38 38 ILE C C 328 176.884 176.884 178.148 -1.264 17490 5806 1 10 . 1 1 38 38 ILE CA C 328 65.153 65.153 65.377 -0.224 17490 5807 1 10 . 1 1 38 38 ILE CB C 328 37.446 37.446 38.132 -0.686 17490 5808 1 10 . 1 1 38 38 ILE H H 328 7.636 7.636 7.720 -0.084 17490 5809 1 10 . 1 1 39 39 CYS N N 329 120.430 120.430 117.919 2.511 17490 5810 1 10 . 1 1 39 39 CYS HA H 329 3.743 3.743 4.038 -0.295 17490 5811 1 10 . 1 1 39 39 CYS C C 329 176.205 176.205 177.201 -0.996 17490 5812 1 10 . 1 1 39 39 CYS CA C 329 63.564 63.564 62.758 0.806 17490 5813 1 10 . 1 1 39 39 CYS CB C 329 26.285 26.285 26.536 -0.251 17490 5814 1 10 . 1 1 39 39 CYS H H 329 8.640 8.640 7.669 0.971 17490 5815 1 10 . 1 1 40 40 GLN N N 330 118.263 118.263 119.191 -0.928 17490 5816 1 10 . 1 1 40 40 GLN HA H 330 4.099 4.099 3.930 0.169 17490 5817 1 10 . 1 1 40 40 GLN C C 330 177.445 177.445 178.804 -1.359 17490 5818 1 10 . 1 1 40 40 GLN CA C 330 59.496 59.496 58.801 0.695 17490 5819 1 10 . 1 1 40 40 GLN CB C 330 28.469 28.469 28.070 0.399 17490 5820 1 10 . 1 1 40 40 GLN H H 330 8.213 8.213 8.048 0.165 17490 5821 1 10 . 1 1 41 41 PHE N N 331 121.411 121.411 120.294 1.117 17490 5822 1 10 . 1 1 41 41 PHE HA H 331 4.661 4.661 4.194 0.467 17490 5823 1 10 . 1 1 41 41 PHE C C 331 177.475 177.475 176.967 0.508 17490 5824 1 10 . 1 1 41 41 PHE CA C 331 60.181 60.181 60.639 -0.458 17490 5825 1 10 . 1 1 41 41 PHE CB C 331 39.561 39.561 39.092 0.469 17490 5826 1 10 . 1 1 41 41 PHE H H 331 7.806 7.806 8.033 -0.227 17490 5827 1 10 . 1 1 42 42 LEU N N 332 119.016 119.016 120.562 -1.546 17490 5828 1 10 . 1 1 42 42 LEU HA H 332 3.508 3.508 3.695 -0.187 17490 5829 1 10 . 1 1 42 42 LEU C C 332 178.495 178.495 179.006 -0.511 17490 5830 1 10 . 1 1 42 42 LEU CA C 332 57.545 57.545 57.947 -0.402 17490 5831 1 10 . 1 1 42 42 LEU CB C 332 40.880 40.880 41.540 -0.660 17490 5832 1 10 . 1 1 42 42 LEU H H 332 8.436 8.436 7.927 0.509 17490 5833 1 10 . 1 1 43 43 GLN N N 333 116.210 116.210 116.483 -0.273 17490 5834 1 10 . 1 1 43 43 GLN HA H 333 4.590 4.590 4.070 0.520 17490 5835 1 10 . 1 1 43 43 GLN C C 333 178.499 178.499 178.256 0.243 17490 5836 1 10 . 1 1 43 43 GLN CA C 333 58.875 58.875 58.547 0.328 17490 5837 1 10 . 1 1 43 43 GLN CB C 333 30.846 30.846 28.338 2.508 17490 5838 1 10 . 1 1 43 43 GLN H H 333 8.236 8.236 8.651 -0.415 17490 5839 1 10 . 1 1 44 44 GLU N N 334 117.050 117.050 120.073 -3.023 17490 5840 1 10 . 1 1 44 44 GLU HA H 334 4.116 4.116 3.837 0.279 17490 5841 1 10 . 1 1 44 44 GLU C C 334 177.407 177.407 177.910 -0.503 17490 5842 1 10 . 1 1 44 44 GLU CA C 334 58.756 58.756 59.271 -0.515 17490 5843 1 10 . 1 1 44 44 GLU CB C 334 30.518 30.518 29.678 0.840 17490 5844 1 10 . 1 1 44 44 GLU H H 334 8.926 8.926 7.849 1.077 17490 5845 1 10 . 1 1 45 45 GLU N N 335 114.950 114.950 115.495 -0.545 17490 5846 1 10 . 1 1 45 45 GLU HA H 335 4.354 4.354 4.210 0.144 17490 5847 1 10 . 1 1 45 45 GLU C C 335 176.873 176.873 178.456 -1.583 17490 5848 1 10 . 1 1 45 45 GLU CA C 335 57.018 57.018 57.049 -0.031 17490 5849 1 10 . 1 1 45 45 GLU CB C 335 29.537 29.537 30.147 -0.610 17490 5850 1 10 . 1 1 45 45 GLU H H 335 8.054 8.054 7.755 0.299 17490 5851 1 10 . 1 1 46 46 ILE N N 336 115.649 115.649 116.903 -1.254 17490 5852 1 10 . 1 1 46 46 ILE HA H 336 3.895 3.895 4.139 -0.244 17490 5853 1 10 . 1 1 46 46 ILE C C 336 175.873 175.873 176.262 -0.389 17490 5854 1 10 . 1 1 46 46 ILE CA C 336 58.097 58.097 61.518 -3.421 17490 5855 1 10 . 1 1 46 46 ILE CB C 336 35.077 35.077 37.713 -2.636 17490 5856 1 10 . 1 1 46 46 ILE H H 336 6.749 6.749 7.599 -0.850 17490 5857 1 10 . 1 1 47 47 HIS N N 337 111.685 111.685 113.983 -2.298 17490 5858 1 10 . 1 1 47 47 HIS HA H 337 4.520 4.520 4.378 0.142 17490 5859 1 10 . 1 1 47 47 HIS C C 337 174.787 174.787 174.329 0.458 17490 5860 1 10 . 1 1 47 47 HIS CA C 337 56.387 56.387 56.915 -0.528 17490 5861 1 10 . 1 1 47 47 HIS CB C 337 24.947 24.947 26.735 -1.788 17490 5862 1 10 . 1 1 47 47 HIS H H 337 6.652 6.652 7.591 -0.939 17490 5863 1 10 . 1 1 48 48 ILE N N 338 118.069 118.069 119.306 -1.237 17490 5864 1 10 . 1 1 48 48 ILE HA H 338 4.433 4.433 3.858 0.575 17490 5865 1 10 . 1 1 48 48 ILE C C 338 175.031 175.031 175.095 -0.064 17490 5866 1 10 . 1 1 48 48 ILE CA C 338 60.737 60.737 63.144 -2.406 17490 5867 1 10 . 1 1 48 48 ILE CB C 338 38.861 38.861 37.824 1.037 17490 5868 1 10 . 1 1 48 48 ILE H H 338 7.963 7.963 7.265 0.698 17490 5869 1 10 . 1 1 49 49 ASN N N 339 123.991 123.991 123.373 0.618 17490 5870 1 10 . 1 1 49 49 ASN HA H 339 4.691 4.691 4.875 -0.184 17490 5871 1 10 . 1 1 49 49 ASN C C 339 176.381 176.381 175.421 0.960 17490 5872 1 10 . 1 1 49 49 ASN CA C 339 53.296 53.296 52.322 0.974 17490 5873 1 10 . 1 1 49 49 ASN CB C 339 40.570 40.570 41.721 -1.151 17490 5874 1 10 . 1 1 49 49 ASN H H 339 9.222 9.222 7.912 1.310 17490 5875 1 10 . 1 1 50 50 GLU N N 340 125.549 125.549 119.349 6.200 17490 5876 1 10 . 1 1 50 50 GLU HA H 340 3.792 3.792 4.127 -0.335 17490 5877 1 10 . 1 1 50 50 GLU C C 340 177.988 177.988 176.938 1.050 17490 5878 1 10 . 1 1 50 50 GLU CA C 340 59.807 59.807 58.818 0.989 17490 5879 1 10 . 1 1 50 50 GLU CB C 340 29.143 29.143 29.733 -0.590 17490 5880 1 10 . 1 1 50 50 GLU H H 340 8.971 8.971 8.945 0.026 17490 5881 1 10 . 1 1 51 51 LYS N N 341 116.019 116.019 115.238 0.781 17490 5882 1 10 . 1 1 51 51 LYS HA H 341 4.117 4.117 4.438 -0.321 17490 5883 1 10 . 1 1 51 51 LYS C C 341 177.283 177.283 176.635 0.648 17490 5884 1 10 . 1 1 51 51 LYS CA C 341 57.718 57.718 56.930 0.788 17490 5885 1 10 . 1 1 51 51 LYS CB C 341 31.650 31.650 32.208 -0.558 17490 5886 1 10 . 1 1 51 51 LYS H H 341 8.424 8.424 7.992 0.432 17490 5887 1 10 . 1 1 52 52 ASP N N 342 117.576 117.576 119.251 -1.675 17490 5888 1 10 . 1 1 52 52 ASP HA H 342 4.444 4.444 4.864 -0.420 17490 5889 1 10 . 1 1 52 52 ASP C C 342 175.454 175.454 174.901 0.553 17490 5890 1 10 . 1 1 52 52 ASP CA C 342 56.002 56.002 55.404 0.598 17490 5891 1 10 . 1 1 52 52 ASP CB C 342 41.937 41.937 43.814 -1.877 17490 5892 1 10 . 1 1 52 52 ASP H H 342 7.908 7.908 7.510 0.398 17490 5893 1 10 . 1 1 53 53 ILE N N 343 120.515 120.515 119.506 1.009 17490 5894 1 10 . 1 1 53 53 ILE HA H 343 3.875 3.875 4.237 -0.362 17490 5895 1 10 . 1 1 53 53 ILE C C 343 174.966 174.966 175.380 -0.414 17490 5896 1 10 . 1 1 53 53 ILE CA C 343 61.101 61.101 58.654 2.447 17490 5897 1 10 . 1 1 53 53 ILE CB C 343 39.931 39.931 39.255 0.676 17490 5898 1 10 . 1 1 53 53 ILE H H 343 7.480 7.480 8.143 -0.663 17490 5899 1 10 . 1 1 54 54 ARG N N 344 125.353 125.353 127.015 -1.662 17490 5900 1 10 . 1 1 54 54 ARG HA H 344 4.291 4.291 4.212 0.079 17490 5901 1 10 . 1 1 54 54 ARG C C 344 176.642 176.642 176.459 0.183 17490 5902 1 10 . 1 1 54 54 ARG CA C 344 57.550 57.550 58.487 -0.937 17490 5903 1 10 . 1 1 54 54 ARG CB C 344 30.848 30.848 31.411 -0.563 17490 5904 1 10 . 1 1 54 54 ARG H H 344 9.063 9.063 8.915 0.148 17490 5905 1 10 . 1 1 55 55 LYS N N 345 116.212 116.212 116.313 -0.101 17490 5906 1 10 . 1 1 55 55 LYS HA H 345 4.417 4.417 4.410 0.007 17490 5907 1 10 . 1 1 55 55 LYS C C 345 173.004 173.004 173.795 -0.791 17490 5908 1 10 . 1 1 55 55 LYS CA C 345 55.873 55.873 55.798 0.075 17490 5909 1 10 . 1 1 55 55 LYS CB C 345 36.582 36.582 36.155 0.427 17490 5910 1 10 . 1 1 55 55 LYS H H 345 7.569 7.569 7.574 -0.005 17490 5911 1 10 . 1 1 56 56 ILE N N 346 122.685 122.685 123.716 -1.031 17490 5912 1 10 . 1 1 56 56 ILE HA H 346 4.731 4.731 4.844 -0.113 17490 5913 1 10 . 1 1 56 56 ILE C C 346 174.163 174.163 173.685 0.478 17490 5914 1 10 . 1 1 56 56 ILE CA C 346 60.843 60.843 59.655 1.188 17490 5915 1 10 . 1 1 56 56 ILE CB C 346 40.816 40.816 39.736 1.080 17490 5916 1 10 . 1 1 56 56 ILE H H 346 8.229 8.229 8.333 -0.104 17490 5917 1 10 . 1 1 57 57 LEU N N 347 126.095 126.095 129.671 -3.576 17490 5918 1 10 . 1 1 57 57 LEU HA H 347 4.775 4.775 4.727 0.048 17490 5919 1 10 . 1 1 57 57 LEU C C 347 175.764 175.764 175.134 0.630 17490 5920 1 10 . 1 1 57 57 LEU CA C 347 52.746 52.746 53.509 -0.763 17490 5921 1 10 . 1 1 57 57 LEU CB C 347 45.364 45.364 45.203 0.161 17490 5922 1 10 . 1 1 57 57 LEU H H 347 9.279 9.279 8.867 0.412 17490 5923 1 10 . 1 1 58 58 LEU N N 348 122.946 122.946 122.959 -0.013 17490 5924 1 10 . 1 1 58 58 LEU HA H 348 4.338 4.338 4.407 -0.069 17490 5925 1 10 . 1 1 58 58 LEU C C 348 176.476 176.476 176.473 0.003 17490 5926 1 10 . 1 1 58 58 LEU CA C 348 55.221 55.221 54.375 0.846 17490 5927 1 10 . 1 1 58 58 LEU CB C 348 41.496 41.496 42.916 -1.420 17490 5928 1 10 . 1 1 58 58 LEU H H 348 8.925 8.925 8.560 0.365 17490 5929 1 10 . 1 1 59 59 VAL N N 349 123.378 123.378 127.215 -3.837 17490 5930 1 10 . 1 1 59 59 VAL HA H 349 4.385 4.385 4.380 0.005 17490 5931 1 10 . 1 1 59 59 VAL C C 349 176.335 176.335 175.188 1.147 17490 5932 1 10 . 1 1 59 59 VAL CA C 349 59.595 59.595 61.751 -2.155 17490 5933 1 10 . 1 1 59 59 VAL CB C 349 31.100 31.100 31.601 -0.501 17490 5934 1 10 . 1 1 59 59 VAL H H 349 8.637 8.637 8.353 0.284 17490 5935 1 10 . 1 1 60 60 SER N N 350 124.152 124.152 121.286 2.866 17490 5936 1 10 . 1 1 60 60 SER HA H 350 3.907 3.907 4.493 -0.586 17490 5937 1 10 . 1 1 60 60 SER C C 350 177.518 177.518 175.141 2.377 17490 5938 1 10 . 1 1 60 60 SER CA C 350 62.261 62.261 60.312 1.949 17490 5939 1 10 . 1 1 60 60 SER CB C 350 62.301 62.301 64.051 -1.750 17490 5940 1 10 . 1 1 60 60 SER H H 350 8.755 8.755 8.529 0.226 17490 5941 1 10 . 1 1 61 61 ASP N N 351 119.224 119.224 120.926 -1.702 17490 5942 1 10 . 1 1 61 61 ASP HA H 351 3.964 3.964 4.308 -0.344 17490 5943 1 10 . 1 1 61 61 ASP C C 351 174.721 174.721 173.646 1.075 17490 5944 1 10 . 1 1 61 61 ASP CA C 351 56.162 56.162 54.627 1.535 17490 5945 1 10 . 1 1 61 61 ASP CB C 351 40.102 40.102 38.430 1.672 17490 5946 1 10 . 1 1 61 61 ASP H H 351 9.011 9.011 8.563 0.448 17490 5947 1 10 . 1 1 62 62 PHE N N 352 110.179 110.179 112.376 -2.197 17490 5948 1 10 . 1 1 62 62 PHE HA H 352 3.983 3.983 4.376 -0.393 17490 5949 1 10 . 1 1 62 62 PHE C C 352 173.268 173.268 173.657 -0.389 17490 5950 1 10 . 1 1 62 62 PHE CA C 352 56.221 56.221 55.076 1.145 17490 5951 1 10 . 1 1 62 62 PHE CB C 352 39.789 39.789 36.738 3.051 17490 5952 1 10 . 1 1 62 62 PHE H H 352 6.702 6.702 7.447 -0.745 17490 5953 1 10 . 1 1 63 63 ASN N N 353 114.980 114.980 120.908 -5.928 17490 5954 1 10 . 1 1 63 63 ASN HA H 353 4.665 4.665 4.273 0.392 17490 5955 1 10 . 1 1 63 63 ASN C C 353 174.360 174.360 174.720 -0.360 17490 5956 1 10 . 1 1 63 63 ASN CA C 353 54.158 54.158 54.703 -0.544 17490 5957 1 10 . 1 1 63 63 ASN CB C 353 37.889 37.889 37.724 0.165 17490 5958 1 10 . 1 1 63 63 ASN H H 353 7.708 7.708 8.032 -0.324 17490 5959 1 10 . 1 1 64 64 GLY N N 354 102.117 102.117 107.216 -5.099 17490 5960 1 10 . 1 1 64 64 GLY C C 354 173.093 173.093 171.440 1.653 17490 5961 1 10 . 1 1 64 64 GLY CA C 354 45.413 45.413 45.500 -0.087 17490 5962 1 10 . 1 1 64 64 GLY H H 354 7.722 7.722 8.456 -0.734 17490 5963 1 10 . 1 1 65 65 ALA N N 355 120.262 120.262 121.746 -1.484 17490 5964 1 10 . 1 1 65 65 ALA HA H 355 5.055 5.055 4.944 0.111 17490 5965 1 10 . 1 1 65 65 ALA C C 355 174.731 174.731 175.116 -0.385 17490 5966 1 10 . 1 1 65 65 ALA CA C 355 51.429 51.429 51.231 0.198 17490 5967 1 10 . 1 1 65 65 ALA CB C 355 22.924 22.924 21.731 1.193 17490 5968 1 10 . 1 1 65 65 ALA H H 355 8.785 8.785 8.450 0.335 17490 5969 1 10 . 1 1 66 66 ILE N N 356 121.244 121.244 126.983 -5.739 17490 5970 1 10 . 1 1 66 66 ILE HA H 356 4.711 4.711 4.738 -0.027 17490 5971 1 10 . 1 1 66 66 ILE C C 356 174.154 174.154 173.747 0.407 17490 5972 1 10 . 1 1 66 66 ILE CA C 356 60.570 60.570 60.639 -0.069 17490 5973 1 10 . 1 1 66 66 ILE CB C 356 41.943 41.943 39.532 2.411 17490 5974 1 10 . 1 1 66 66 ILE H H 356 9.390 9.390 8.230 1.160 17490 5975 1 10 . 1 1 67 67 ILE N N 357 127.255 127.255 129.508 -2.253 17490 5976 1 10 . 1 1 67 67 ILE HA H 357 4.433 4.433 4.751 -0.318 17490 5977 1 10 . 1 1 67 67 ILE C C 357 174.004 174.004 174.647 -0.643 17490 5978 1 10 . 1 1 67 67 ILE CA C 357 59.826 59.826 60.023 -0.197 17490 5979 1 10 . 1 1 67 67 ILE CB C 357 38.965 38.965 42.242 -3.277 17490 5980 1 10 . 1 1 67 67 ILE H H 357 9.291 9.291 8.723 0.568 17490 5981 1 10 . 1 1 68 68 ILE N N 358 124.623 124.623 127.529 -2.906 17490 5982 1 10 . 1 1 68 68 ILE HA H 358 4.293 4.293 4.405 -0.112 17490 5983 1 10 . 1 1 68 68 ILE C C 358 176.052 176.052 175.136 0.916 17490 5984 1 10 . 1 1 68 68 ILE CA C 358 61.079 61.079 60.352 0.727 17490 5985 1 10 . 1 1 68 68 ILE CB C 358 38.373 38.373 37.492 0.881 17490 5986 1 10 . 1 1 68 68 ILE H H 358 8.681 8.681 8.105 0.576 17490 5987 1 10 . 1 1 69 69 PHE N N 359 126.100 126.100 124.651 1.449 17490 5988 1 10 . 1 1 69 69 PHE HA H 359 5.130 5.130 4.707 0.423 17490 5989 1 10 . 1 1 69 69 PHE C C 359 175.355 175.355 178.115 -2.760 17490 5990 1 10 . 1 1 69 69 PHE CA C 359 58.156 58.156 58.955 -0.799 17490 5991 1 10 . 1 1 69 69 PHE CB C 359 41.592 41.592 39.239 2.353 17490 5992 1 10 . 1 1 69 69 PHE H H 359 9.086 9.086 8.520 0.566 17490 5993 1 10 . 1 1 70 70 ARG N N 360 115.935 115.935 118.579 -2.644 17490 5994 1 10 . 1 1 70 70 ARG HA H 360 4.068 4.068 4.196 -0.128 17490 5995 1 10 . 1 1 70 70 ARG C C 360 175.099 175.099 175.406 -0.307 17490 5996 1 10 . 1 1 70 70 ARG CA C 360 58.594 58.594 57.345 1.249 17490 5997 1 10 . 1 1 70 70 ARG CB C 360 30.664 30.664 29.723 0.941 17490 5998 1 10 . 1 1 70 70 ARG H H 360 8.268 8.268 8.834 -0.566 17490 5999 1 10 . 1 1 71 71 ASP N N 361 113.892 113.892 115.273 -1.381 17490 6000 1 10 . 1 1 71 71 ASP HA H 361 4.880 4.880 4.694 0.186 17490 6001 1 10 . 1 1 71 71 ASP C C 361 176.087 176.087 175.751 0.336 17490 6002 1 10 . 1 1 71 71 ASP CA C 361 53.329 53.329 54.044 -0.715 17490 6003 1 10 . 1 1 71 71 ASP CB C 361 44.131 44.131 42.340 1.791 17490 6004 1 10 . 1 1 71 71 ASP H H 361 7.673 7.673 7.785 -0.112 17490 6005 1 10 . 1 1 72 72 SER N N 362 118.590 118.590 117.917 0.673 17490 6006 1 10 . 1 1 72 72 SER HA H 362 4.310 4.310 4.416 -0.106 17490 6007 1 10 . 1 1 72 72 SER C C 362 176.600 176.600 176.473 0.127 17490 6008 1 10 . 1 1 72 72 SER CA C 362 60.739 60.739 61.601 -0.862 17490 6009 1 10 . 1 1 72 72 SER CB C 362 62.872 62.872 63.483 -0.612 17490 6010 1 10 . 1 1 72 72 SER H H 362 9.103 9.103 8.648 0.455 17490 6011 1 10 . 1 1 73 73 LYS N N 363 125.872 125.872 121.466 4.406 17490 6012 1 10 . 1 1 73 73 LYS HA H 363 4.134 4.134 4.095 0.039 17490 6013 1 10 . 1 1 73 73 LYS C C 363 179.386 179.386 178.711 0.675 17490 6014 1 10 . 1 1 73 73 LYS CA C 363 59.283 59.283 58.932 0.351 17490 6015 1 10 . 1 1 73 73 LYS CB C 363 31.491 31.491 32.048 -0.557 17490 6016 1 10 . 1 1 73 73 LYS H H 363 8.332 8.332 8.336 -0.004 17490 6017 1 10 . 1 1 74 74 PHE N N 364 123.145 123.145 119.273 3.872 17490 6018 1 10 . 1 1 74 74 PHE HA H 364 3.968 3.968 4.289 -0.321 17490 6019 1 10 . 1 1 74 74 PHE C C 364 177.819 177.819 176.619 1.200 17490 6020 1 10 . 1 1 74 74 PHE CA C 364 61.588 61.588 59.634 1.954 17490 6021 1 10 . 1 1 74 74 PHE CB C 364 39.963 39.963 38.822 1.141 17490 6022 1 10 . 1 1 74 74 PHE H H 364 8.482 8.482 7.739 0.743 17490 6023 1 10 . 1 1 75 75 ALA N N 365 119.451 119.451 122.365 -2.914 17490 6024 1 10 . 1 1 75 75 ALA HA H 365 3.396 3.396 3.518 -0.122 17490 6025 1 10 . 1 1 75 75 ALA C C 365 178.100 178.100 179.202 -1.102 17490 6026 1 10 . 1 1 75 75 ALA CA C 365 55.584 55.584 55.223 0.361 17490 6027 1 10 . 1 1 75 75 ALA CB C 365 18.265 18.265 17.855 0.410 17490 6028 1 10 . 1 1 75 75 ALA H H 365 7.835 7.835 8.244 -0.409 17490 6029 1 10 . 1 1 76 76 ALA N N 366 117.626 117.626 119.842 -2.216 17490 6030 1 10 . 1 1 76 76 ALA HA H 366 4.033 4.033 4.096 -0.063 17490 6031 1 10 . 1 1 76 76 ALA C C 366 180.569 180.569 179.322 1.247 17490 6032 1 10 . 1 1 76 76 ALA CA C 366 54.996 54.996 54.555 0.441 17490 6033 1 10 . 1 1 76 76 ALA CB C 366 18.040 18.040 18.306 -0.266 17490 6034 1 10 . 1 1 76 76 ALA H H 366 7.680 7.680 7.711 -0.031 17490 6035 1 10 . 1 1 77 77 LYS N N 367 118.273 118.273 119.792 -1.519 17490 6036 1 10 . 1 1 77 77 LYS HA H 367 3.998 3.998 4.009 -0.011 17490 6037 1 10 . 1 1 77 77 LYS C C 367 178.964 178.964 178.503 0.461 17490 6038 1 10 . 1 1 77 77 LYS CA C 367 58.803 58.803 59.063 -0.260 17490 6039 1 10 . 1 1 77 77 LYS CB C 367 32.106 32.106 32.502 -0.396 17490 6040 1 10 . 1 1 77 77 LYS H H 367 7.302 7.302 7.761 -0.459 17490 6041 1 10 . 1 1 78 78 MET N N 368 117.578 117.578 118.872 -1.294 17490 6042 1 10 . 1 1 78 78 MET HA H 368 4.273 4.273 4.064 0.209 17490 6043 1 10 . 1 1 78 78 MET C C 368 178.167 178.167 177.754 0.413 17490 6044 1 10 . 1 1 78 78 MET CA C 368 55.734 55.734 56.549 -0.815 17490 6045 1 10 . 1 1 78 78 MET CB C 368 32.382 32.382 31.600 0.782 17490 6046 1 10 . 1 1 78 78 MET H H 368 7.785 7.785 7.850 -0.065 17490 6047 1 10 . 1 1 79 79 LEU N N 369 120.984 120.984 122.315 -1.331 17490 6048 1 10 . 1 1 79 79 LEU HA H 369 3.786 3.786 3.928 -0.142 17490 6049 1 10 . 1 1 79 79 LEU C C 369 179.060 179.060 178.803 0.257 17490 6050 1 10 . 1 1 79 79 LEU CA C 369 59.377 59.377 58.122 1.255 17490 6051 1 10 . 1 1 79 79 LEU CB C 369 42.354 42.354 41.857 0.497 17490 6052 1 10 . 1 1 79 79 LEU H H 369 8.197 8.197 7.708 0.489 17490 6053 1 10 . 1 1 80 80 MET N N 370 114.071 114.071 115.656 -1.585 17490 6054 1 10 . 1 1 80 80 MET HA H 370 4.277 4.277 4.228 0.049 17490 6055 1 10 . 1 1 80 80 MET C C 370 178.184 178.184 177.839 0.345 17490 6056 1 10 . 1 1 80 80 MET CA C 370 57.627 57.627 57.254 0.373 17490 6057 1 10 . 1 1 80 80 MET CB C 370 32.543 32.543 32.186 0.357 17490 6058 1 10 . 1 1 80 80 MET H H 370 7.018 7.018 7.788 -0.770 17490 6059 1 10 . 1 1 81 81 ILE N N 371 118.056 118.056 117.041 1.015 17490 6060 1 10 . 1 1 81 81 ILE HA H 371 3.885 3.885 3.978 -0.093 17490 6061 1 10 . 1 1 81 81 ILE C C 371 177.491 177.491 177.619 -0.128 17490 6062 1 10 . 1 1 81 81 ILE CA C 371 63.571 63.571 62.208 1.363 17490 6063 1 10 . 1 1 81 81 ILE CB C 371 38.716 38.716 37.764 0.952 17490 6064 1 10 . 1 1 81 81 ILE H H 371 7.615 7.615 7.814 -0.199 17490 6065 1 10 . 1 1 82 82 LEU N N 372 116.858 116.858 118.752 -1.894 17490 6066 1 10 . 1 1 82 82 LEU HA H 372 4.100 4.100 4.492 -0.392 17490 6067 1 10 . 1 1 82 82 LEU C C 372 178.360 178.360 177.059 1.301 17490 6068 1 10 . 1 1 82 82 LEU CA C 372 55.929 55.929 55.360 0.569 17490 6069 1 10 . 1 1 82 82 LEU CB C 372 42.309 42.309 43.229 -0.920 17490 6070 1 10 . 1 1 82 82 LEU H H 372 8.160 8.160 8.184 -0.024 17490 6071 1 10 . 1 1 83 83 ASN N N 373 117.015 117.015 117.224 -0.209 17490 6072 1 10 . 1 1 83 83 ASN HA H 373 4.348 4.348 4.708 -0.360 17490 6073 1 10 . 1 1 83 83 ASN C C 373 175.671 175.671 175.253 0.418 17490 6074 1 10 . 1 1 83 83 ASN CA C 373 55.793 55.793 54.511 1.282 17490 6075 1 10 . 1 1 83 83 ASN CB C 373 38.434 38.434 38.591 -0.157 17490 6076 1 10 . 1 1 83 83 ASN H H 373 7.058 7.058 7.875 -0.817 17490 6077 1 10 . 1 1 84 84 GLY N N 374 116.878 116.878 111.930 4.948 17490 6078 1 10 . 1 1 84 84 GLY C C 374 174.602 174.602 173.690 0.912 17490 6079 1 10 . 1 1 84 84 GLY CA C 374 45.842 45.842 45.044 0.798 17490 6080 1 10 . 1 1 84 84 GLY H H 374 9.053 9.053 8.721 0.332 17490 6081 1 10 . 1 1 85 85 SER N N 375 116.615 116.615 115.598 1.017 17490 6082 1 10 . 1 1 85 85 SER HA H 375 4.407 4.407 4.832 -0.425 17490 6083 1 10 . 1 1 85 85 SER C C 375 171.580 171.580 173.016 -1.436 17490 6084 1 10 . 1 1 85 85 SER CA C 375 59.280 59.280 57.078 2.202 17490 6085 1 10 . 1 1 85 85 SER CB C 375 64.303 64.303 64.569 -0.266 17490 6086 1 10 . 1 1 85 85 SER H H 375 7.666 7.666 8.182 -0.516 17490 6087 1 10 . 1 1 86 86 GLN N N 376 117.824 117.824 118.553 -0.729 17490 6088 1 10 . 1 1 86 86 GLN HA H 376 4.893 4.893 5.338 -0.445 17490 6089 1 10 . 1 1 86 86 GLN C C 376 175.033 175.033 174.822 0.211 17490 6090 1 10 . 1 1 86 86 GLN CA C 376 54.885 54.885 55.390 -0.505 17490 6091 1 10 . 1 1 86 86 GLN CB C 376 30.733 30.733 31.715 -0.982 17490 6092 1 10 . 1 1 86 86 GLN H H 376 8.381 8.381 8.130 0.251 17490 6093 1 10 . 1 1 87 87 PHE N N 377 124.095 124.095 122.679 1.416 17490 6094 1 10 . 1 1 87 87 PHE HA H 377 4.472 4.472 4.771 -0.299 17490 6095 1 10 . 1 1 87 87 PHE C C 377 174.760 174.760 175.565 -0.805 17490 6096 1 10 . 1 1 87 87 PHE CA C 377 56.009 56.009 57.587 -1.578 17490 6097 1 10 . 1 1 87 87 PHE CB C 377 41.519 41.519 42.594 -1.075 17490 6098 1 10 . 1 1 87 87 PHE H H 377 8.974 8.974 9.045 -0.071 17490 6099 1 10 . 1 1 88 88 GLN N N 378 126.108 126.108 123.474 2.634 17490 6100 1 10 . 1 1 88 88 GLN HA H 378 3.505 3.505 4.048 -0.543 17490 6101 1 10 . 1 1 88 88 GLN C C 378 176.162 176.162 175.678 0.484 17490 6102 1 10 . 1 1 88 88 GLN CA C 378 56.570 56.570 56.542 0.028 17490 6103 1 10 . 1 1 88 88 GLN CB C 378 26.070 26.070 27.368 -1.298 17490 6104 1 10 . 1 1 88 88 GLN H H 378 9.139 9.139 9.163 -0.024 17490 6105 1 10 . 1 1 89 89 GLY N N 379 103.132 103.132 103.813 -0.681 17490 6106 1 10 . 1 1 89 89 GLY C C 379 173.587 173.587 173.612 -0.025 17490 6107 1 10 . 1 1 89 89 GLY CA C 379 45.382 45.382 44.644 0.738 17490 6108 1 10 . 1 1 89 89 GLY H H 379 8.580 8.580 8.450 0.131 17490 6109 1 10 . 1 1 90 90 LYS N N 380 119.783 119.783 119.046 0.737 17490 6110 1 10 . 1 1 90 90 LYS HA H 380 4.697 4.697 4.645 0.052 17490 6111 1 10 . 1 1 90 90 LYS C C 380 174.500 174.500 174.719 -0.219 17490 6112 1 10 . 1 1 90 90 LYS CA C 380 54.019 54.019 54.802 -0.783 17490 6113 1 10 . 1 1 90 90 LYS CB C 380 35.919 35.919 35.579 0.340 17490 6114 1 10 . 1 1 90 90 LYS H H 380 7.457 7.457 7.527 -0.070 17490 6115 1 10 . 1 1 91 91 VAL N N 381 121.517 121.517 124.835 -3.318 17490 6116 1 10 . 1 1 91 91 VAL HA H 381 4.294 4.294 4.961 -0.667 17490 6117 1 10 . 1 1 91 91 VAL C C 381 176.729 176.729 175.223 1.506 17490 6118 1 10 . 1 1 91 91 VAL CA C 381 63.176 63.176 61.604 1.572 17490 6119 1 10 . 1 1 91 91 VAL CB C 381 32.073 32.073 32.290 -0.217 17490 6120 1 10 . 1 1 91 91 VAL H H 381 8.256 8.256 8.461 -0.205 17490 6121 1 10 . 1 1 92 92 ILE N N 382 124.746 124.746 125.375 -0.629 17490 6122 1 10 . 1 1 92 92 ILE HA H 382 4.533 4.533 4.693 -0.160 17490 6123 1 10 . 1 1 92 92 ILE C C 382 173.501 173.501 174.129 -0.628 17490 6124 1 10 . 1 1 92 92 ILE CA C 382 59.249 59.249 58.555 0.694 17490 6125 1 10 . 1 1 92 92 ILE CB C 382 41.995 41.995 38.510 3.485 17490 6126 1 10 . 1 1 92 92 ILE H H 382 8.788 8.788 8.254 0.534 17490 6127 1 10 . 1 1 93 93 ARG N N 383 119.723 119.723 124.648 -4.925 17490 6128 1 10 . 1 1 93 93 ARG HA H 383 4.608 4.608 4.891 -0.283 17490 6129 1 10 . 1 1 93 93 ARG C C 383 173.979 173.979 174.628 -0.649 17490 6130 1 10 . 1 1 93 93 ARG CA C 383 53.178 53.178 54.041 -0.863 17490 6131 1 10 . 1 1 93 93 ARG CB C 383 31.724 31.724 33.019 -1.294 17490 6132 1 10 . 1 1 93 93 ARG H H 383 8.500 8.500 8.375 0.125 17490 6133 1 10 . 1 1 94 94 SER N N 384 110.386 110.386 114.423 -4.037 17490 6134 1 10 . 1 1 94 94 SER HA H 384 5.685 5.685 4.900 0.785 17490 6135 1 10 . 1 1 94 94 SER C C 384 174.791 174.791 173.329 1.462 17490 6136 1 10 . 1 1 94 94 SER CA C 384 54.419 54.419 56.837 -2.418 17490 6137 1 10 . 1 1 94 94 SER CB C 384 67.147 67.147 64.766 2.381 17490 6138 1 10 . 1 1 94 94 SER H H 384 7.700 7.700 8.643 -0.943 17490 6139 1 10 . 1 1 95 95 GLY N N 385 106.738 106.738 107.228 -0.490 17490 6140 1 10 . 1 1 95 95 GLY C C 385 171.619 171.619 172.359 -0.740 17490 6141 1 10 . 1 1 95 95 GLY CA C 385 45.904 45.904 45.827 0.077 17490 6142 1 10 . 1 1 95 95 GLY H H 385 8.360 8.360 8.637 -0.277 17490 6143 1 10 . 1 1 96 96 THR N N 386 111.493 111.493 113.109 -1.616 17490 6144 1 10 . 1 1 96 96 THR HA H 386 4.604 4.604 4.900 -0.296 17490 6145 1 10 . 1 1 96 96 THR C C 386 175.600 175.600 175.556 0.044 17490 6146 1 10 . 1 1 96 96 THR CA C 386 60.901 60.901 61.211 -0.310 17490 6147 1 10 . 1 1 96 96 THR CB C 386 71.709 71.709 70.438 1.271 17490 6148 1 10 . 1 1 96 96 THR H H 386 9.274 9.274 8.021 1.253 17490 6149 1 10 . 1 1 97 97 ILE N N 387 121.293 121.293 118.717 2.576 17490 6150 1 10 . 1 1 97 97 ILE HA H 387 3.881 3.881 4.065 -0.184 17490 6151 1 10 . 1 1 97 97 ILE C C 387 178.109 178.109 177.737 0.372 17490 6152 1 10 . 1 1 97 97 ILE CA C 387 65.826 65.826 63.598 2.228 17490 6153 1 10 . 1 1 97 97 ILE CB C 387 37.717 37.717 36.626 1.091 17490 6154 1 10 . 1 1 97 97 ILE H H 387 9.339 9.339 8.190 1.149 17490 6155 1 10 . 1 1 98 98 ASN N N 388 117.358 117.358 119.254 -1.896 17490 6156 1 10 . 1 1 98 98 ASN HA H 388 4.224 4.224 4.410 -0.186 17490 6157 1 10 . 1 1 98 98 ASN C C 388 178.040 178.040 176.875 1.165 17490 6158 1 10 . 1 1 98 98 ASN CA C 388 56.205 56.205 56.802 -0.597 17490 6159 1 10 . 1 1 98 98 ASN CB C 388 37.719 37.719 38.468 -0.749 17490 6160 1 10 . 1 1 98 98 ASN H H 388 8.162 8.162 8.277 -0.115 17490 6161 1 10 . 1 1 99 99 ASP N N 389 121.336 121.336 120.326 1.010 17490 6162 1 10 . 1 1 99 99 ASP HA H 389 4.236 4.236 4.316 -0.080 17490 6163 1 10 . 1 1 99 99 ASP C C 389 177.813 177.813 178.157 -0.344 17490 6164 1 10 . 1 1 99 99 ASP CA C 389 57.639 57.639 57.051 0.588 17490 6165 1 10 . 1 1 99 99 ASP CB C 389 40.497 40.497 41.016 -0.519 17490 6166 1 10 . 1 1 99 99 ASP H H 389 7.865 7.865 8.430 -0.565 17490 6167 1 10 . 1 1 100 100 MET N N 390 122.932 122.932 117.744 5.188 17490 6168 1 10 . 1 1 100 100 MET HA H 390 4.499 4.499 4.500 -0.001 17490 6169 1 10 . 1 1 100 100 MET C C 390 178.081 178.081 178.005 0.076 17490 6170 1 10 . 1 1 100 100 MET CA C 390 58.402 58.402 58.988 -0.586 17490 6171 1 10 . 1 1 100 100 MET CB C 390 32.263 32.263 32.782 -0.519 17490 6172 1 10 . 1 1 100 100 MET H H 390 7.874 7.874 7.707 0.167 17490 6173 1 10 . 1 1 101 101 LYS N N 391 118.764 118.764 120.748 -1.984 17490 6174 1 10 . 1 1 101 101 LYS HA H 391 3.484 3.484 4.185 -0.701 17490 6175 1 10 . 1 1 101 101 LYS C C 391 178.102 178.102 179.507 -1.405 17490 6176 1 10 . 1 1 101 101 LYS CA C 391 60.070 60.070 59.488 0.582 17490 6177 1 10 . 1 1 101 101 LYS CB C 391 32.468 32.468 31.890 0.578 17490 6178 1 10 . 1 1 101 101 LYS H H 391 7.994 7.994 8.331 -0.337 17490 6179 1 10 . 1 1 102 102 ARG N N 392 118.974 118.974 120.200 -1.226 17490 6180 1 10 . 1 1 102 102 ARG HA H 392 3.971 3.971 4.723 -0.752 17490 6181 1 10 . 1 1 102 102 ARG C C 392 178.433 178.433 179.087 -0.654 17490 6182 1 10 . 1 1 102 102 ARG CA C 392 59.485 59.485 58.915 0.570 17490 6183 1 10 . 1 1 102 102 ARG CB C 392 30.282 30.282 30.085 0.197 17490 6184 1 10 . 1 1 102 102 ARG H H 392 8.088 8.088 7.959 0.129 17490 6185 1 10 . 1 1 103 103 TYR N N 393 119.904 119.904 120.055 -0.151 17490 6186 1 10 . 1 1 103 103 TYR HA H 393 4.017 4.017 3.956 0.061 17490 6187 1 10 . 1 1 103 103 TYR C C 393 177.819 177.819 177.920 -0.101 17490 6188 1 10 . 1 1 103 103 TYR CA C 393 61.926 61.926 60.533 1.393 17490 6189 1 10 . 1 1 103 103 TYR CB C 393 39.373 39.373 37.099 2.274 17490 6190 1 10 . 1 1 103 103 TYR H H 393 8.058 8.058 7.866 0.192 17490 6191 1 10 . 1 1 104 104 TYR N N 394 119.418 119.418 120.255 -0.837 17490 6192 1 10 . 1 1 104 104 TYR HA H 394 4.167 4.167 4.337 -0.170 17490 6193 1 10 . 1 1 104 104 TYR C C 394 177.920 177.920 177.397 0.523 17490 6194 1 10 . 1 1 104 104 TYR CA C 394 61.764 61.764 60.353 1.411 17490 6195 1 10 . 1 1 104 104 TYR CB C 394 39.162 39.162 38.565 0.597 17490 6196 1 10 . 1 1 104 104 TYR H H 394 7.846 7.846 8.654 -0.808 17490 6197 1 10 . 1 1 105 105 ASN N N 395 117.373 117.373 117.010 0.363 17490 6198 1 10 . 1 1 105 105 ASN HA H 395 4.414 4.414 3.996 0.418 17490 6199 1 10 . 1 1 105 105 ASN C C 395 176.906 176.906 177.498 -0.592 17490 6200 1 10 . 1 1 105 105 ASN CA C 395 55.691 55.691 56.337 -0.646 17490 6201 1 10 . 1 1 105 105 ASN CB C 395 38.472 38.472 37.790 0.682 17490 6202 1 10 . 1 1 105 105 ASN H H 395 8.499 8.499 8.227 0.272 17490 6203 1 10 . 1 1 106 106 ASN N N 396 118.101 118.101 118.565 -0.464 17490 6204 1 10 . 1 1 106 106 ASN HA H 396 4.531 4.531 4.543 -0.012 17490 6205 1 10 . 1 1 106 106 ASN C C 396 176.450 176.450 177.240 -0.790 17490 6206 1 10 . 1 1 106 106 ASN CA C 396 54.775 54.775 55.360 -0.585 17490 6207 1 10 . 1 1 106 106 ASN CB C 396 38.543 38.543 37.936 0.607 17490 6208 1 10 . 1 1 106 106 ASN H H 396 8.081 8.081 8.189 -0.108 17490 6209 1 10 . 1 1 107 107 GLN N N 397 118.903 118.903 119.752 -0.849 17490 6210 1 10 . 1 1 107 107 GLN HA H 397 3.977 3.977 4.319 -0.342 17490 6211 1 10 . 1 1 107 107 GLN C C 397 176.907 176.907 177.963 -1.056 17490 6212 1 10 . 1 1 107 107 GLN CA C 397 56.815 56.815 58.015 -1.200 17490 6213 1 10 . 1 1 107 107 GLN CB C 397 28.610 28.610 28.882 -0.272 17490 6214 1 10 . 1 1 107 107 GLN H H 397 7.772 7.772 7.835 -0.063 17490 6215 1 10 . 1 1 108 108 GLN N N 398 118.101 118.101 117.996 0.105 17490 6216 1 10 . 1 1 108 108 GLN HA H 398 3.920 3.920 4.075 -0.155 17490 6217 1 10 . 1 1 108 108 GLN C C 398 176.321 176.321 177.070 -0.749 17490 6218 1 10 . 1 1 108 108 GLN CA C 398 56.554 56.554 57.362 -0.808 17490 6219 1 10 . 1 1 108 108 GLN CB C 398 28.650 28.650 28.835 -0.185 17490 6220 1 10 . 1 1 108 108 GLN H H 398 7.854 7.854 8.337 -0.483 17490 6221 1 11 . 1 1 3 3 LEU N N 293 125.082 125.082 123.174 1.908 17490 6222 1 11 . 1 1 3 3 LEU HA H 293 4.292 4.292 4.701 -0.409 17490 6223 1 11 . 1 1 3 3 LEU C C 293 177.442 177.442 176.979 0.463 17490 6224 1 11 . 1 1 3 3 LEU CA C 293 55.523 55.523 54.418 1.105 17490 6225 1 11 . 1 1 3 3 LEU CB C 293 42.516 42.516 44.918 -2.402 17490 6226 1 11 . 1 1 3 3 LEU H H 293 8.321 8.321 7.308 1.013 17490 6227 1 11 . 1 1 4 4 GLU N N 294 122.906 122.906 124.149 -1.243 17490 6228 1 11 . 1 1 4 4 GLU HA H 294 4.069 4.069 3.860 0.209 17490 6229 1 11 . 1 1 4 4 GLU C C 294 177.158 177.158 178.554 -1.396 17490 6230 1 11 . 1 1 4 4 GLU CA C 294 58.307 58.307 60.104 -1.797 17490 6231 1 11 . 1 1 4 4 GLU CB C 294 29.676 29.676 29.627 0.049 17490 6232 1 11 . 1 1 4 4 GLU H H 294 8.521 8.521 8.950 -0.429 17490 6233 1 11 . 1 1 5 5 ARG N N 295 120.270 120.270 116.476 3.794 17490 6234 1 11 . 1 1 5 5 ARG HA H 295 4.131 4.131 4.007 0.124 17490 6235 1 11 . 1 1 5 5 ARG C C 295 177.768 177.768 178.766 -0.998 17490 6236 1 11 . 1 1 5 5 ARG CA C 295 58.082 58.082 59.706 -1.624 17490 6237 1 11 . 1 1 5 5 ARG CB C 295 30.192 30.192 29.940 0.252 17490 6238 1 11 . 1 1 5 5 ARG H H 295 8.327 8.327 8.572 -0.245 17490 6239 1 11 . 1 1 6 6 ASN N N 296 118.639 118.639 118.520 0.119 17490 6240 1 11 . 1 1 6 6 ASN HA H 296 4.554 4.554 4.470 0.084 17490 6241 1 11 . 1 1 6 6 ASN C C 296 176.830 176.830 177.217 -0.387 17490 6242 1 11 . 1 1 6 6 ASN CA C 296 54.901 54.901 56.044 -1.143 17490 6243 1 11 . 1 1 6 6 ASN CB C 296 38.115 38.115 38.311 -0.196 17490 6244 1 11 . 1 1 6 6 ASN H H 296 8.257 8.257 7.916 0.341 17490 6245 1 11 . 1 1 7 7 GLU N N 297 123.935 123.935 121.440 2.495 17490 6246 1 11 . 1 1 7 7 GLU HA H 297 4.266 4.266 4.103 0.163 17490 6247 1 11 . 1 1 7 7 GLU C C 297 178.102 178.102 179.066 -0.964 17490 6248 1 11 . 1 1 7 7 GLU CA C 297 58.897 58.897 59.045 -0.148 17490 6249 1 11 . 1 1 7 7 GLU CB C 297 29.814 29.814 29.784 0.030 17490 6250 1 11 . 1 1 7 7 GLU H H 297 8.185 8.185 8.026 0.159 17490 6251 1 11 . 1 1 8 8 VAL N N 298 118.916 118.916 120.212 -1.296 17490 6252 1 11 . 1 1 8 8 VAL HA H 298 3.399 3.399 3.597 -0.198 17490 6253 1 11 . 1 1 8 8 VAL C C 298 177.131 177.131 177.697 -0.566 17490 6254 1 11 . 1 1 8 8 VAL CA C 298 67.619 67.619 66.308 1.311 17490 6255 1 11 . 1 1 8 8 VAL CB C 298 32.041 32.041 31.667 0.374 17490 6256 1 11 . 1 1 8 8 VAL H H 298 8.095 8.095 8.669 -0.574 17490 6257 1 11 . 1 1 9 9 LYS N N 299 117.791 117.791 120.189 -2.398 17490 6258 1 11 . 1 1 9 9 LYS HA H 299 3.804 3.804 4.028 -0.224 17490 6259 1 11 . 1 1 9 9 LYS C C 299 179.259 179.259 178.359 0.900 17490 6260 1 11 . 1 1 9 9 LYS CA C 299 59.806 59.806 59.608 0.198 17490 6261 1 11 . 1 1 9 9 LYS CB C 299 32.290 32.290 32.246 0.044 17490 6262 1 11 . 1 1 9 9 LYS H H 299 7.771 7.771 7.724 0.047 17490 6263 1 11 . 1 1 10 10 ARG N N 300 119.032 119.032 119.386 -0.354 17490 6264 1 11 . 1 1 10 10 ARG HA H 300 3.934 3.934 4.090 -0.156 17490 6265 1 11 . 1 1 10 10 ARG C C 300 179.680 179.680 178.794 0.886 17490 6266 1 11 . 1 1 10 10 ARG CA C 300 59.444 59.444 58.899 0.545 17490 6267 1 11 . 1 1 10 10 ARG CB C 300 30.190 30.190 29.777 0.413 17490 6268 1 11 . 1 1 10 10 ARG H H 300 7.834 7.834 8.301 -0.467 17490 6269 1 11 . 1 1 11 11 LEU N N 301 120.881 120.881 119.441 1.440 17490 6270 1 11 . 1 1 11 11 LEU HA H 301 3.890 3.890 4.236 -0.346 17490 6271 1 11 . 1 1 11 11 LEU C C 301 178.937 178.937 178.614 0.323 17490 6272 1 11 . 1 1 11 11 LEU CA C 301 58.067 58.067 56.761 1.306 17490 6273 1 11 . 1 1 11 11 LEU CB C 301 42.051 42.051 42.260 -0.209 17490 6274 1 11 . 1 1 11 11 LEU H H 301 8.147 8.147 7.884 0.263 17490 6275 1 11 . 1 1 12 12 LEU N N 302 116.294 116.294 118.631 -2.337 17490 6276 1 11 . 1 1 12 12 LEU HA H 302 3.874 3.874 3.948 -0.074 17490 6277 1 11 . 1 1 12 12 LEU C C 302 177.360 177.360 178.429 -1.069 17490 6278 1 11 . 1 1 12 12 LEU CA C 302 57.498 57.498 57.464 0.034 17490 6279 1 11 . 1 1 12 12 LEU CB C 302 41.506 41.506 42.175 -0.669 17490 6280 1 11 . 1 1 12 12 LEU H H 302 8.331 8.331 7.705 0.626 17490 6281 1 11 . 1 1 13 13 ALA N N 303 117.998 117.998 118.337 -0.339 17490 6282 1 11 . 1 1 13 13 ALA HA H 303 4.480 4.480 4.318 0.162 17490 6283 1 11 . 1 1 13 13 ALA C C 303 177.554 177.554 177.708 -0.154 17490 6284 1 11 . 1 1 13 13 ALA CA C 303 51.290 51.290 51.979 -0.689 17490 6285 1 11 . 1 1 13 13 ALA CB C 303 19.810 19.810 20.023 -0.213 17490 6286 1 11 . 1 1 13 13 ALA H H 303 7.109 7.109 7.677 -0.568 17490 6287 1 11 . 1 1 14 14 SER N N 304 114.833 114.833 115.231 -0.398 17490 6288 1 11 . 1 1 14 14 SER HA H 304 4.175 4.175 4.177 -0.002 17490 6289 1 11 . 1 1 14 14 SER C C 304 175.762 175.762 175.006 0.756 17490 6290 1 11 . 1 1 14 14 SER CA C 304 59.344 59.344 58.987 0.357 17490 6291 1 11 . 1 1 14 14 SER CB C 304 63.704 63.704 63.479 0.225 17490 6292 1 11 . 1 1 14 14 SER H H 304 7.265 7.265 7.735 -0.470 17490 6293 1 11 . 1 1 15 15 ARG N N 305 125.370 125.370 126.732 -1.362 17490 6294 1 11 . 1 1 15 15 ARG HA H 305 4.555 4.555 4.284 0.271 17490 6295 1 11 . 1 1 15 15 ARG C C 305 175.442 175.442 176.147 -0.705 17490 6296 1 11 . 1 1 15 15 ARG CA C 305 54.847 54.847 56.733 -1.886 17490 6297 1 11 . 1 1 15 15 ARG CB C 305 30.415 30.415 30.574 -0.159 17490 6298 1 11 . 1 1 15 15 ARG H H 305 8.872 8.872 8.563 0.309 17490 6299 1 11 . 1 1 16 16 ASN N N 306 120.536 120.536 120.799 -0.263 17490 6300 1 11 . 1 1 16 16 ASN HA H 306 4.774 4.774 4.692 0.082 17490 6301 1 11 . 1 1 16 16 ASN C C 306 175.146 175.146 176.168 -1.022 17490 6302 1 11 . 1 1 16 16 ASN CA C 306 52.434 52.434 53.292 -0.858 17490 6303 1 11 . 1 1 16 16 ASN CB C 306 38.294 38.294 37.959 0.335 17490 6304 1 11 . 1 1 16 16 ASN H H 306 8.367 8.367 8.070 0.297 17490 6305 1 11 . 1 1 17 17 SER N N 307 121.694 121.694 120.692 1.002 17490 6306 1 11 . 1 1 17 17 SER HA H 307 4.090 4.090 4.251 -0.161 17490 6307 1 11 . 1 1 17 17 SER C C 307 175.970 175.970 175.588 0.382 17490 6308 1 11 . 1 1 17 17 SER CA C 307 61.484 61.484 60.486 0.998 17490 6309 1 11 . 1 1 17 17 SER CB C 307 62.850 62.850 63.166 -0.316 17490 6310 1 11 . 1 1 17 17 SER H H 307 8.656 8.656 8.766 -0.110 17490 6311 1 11 . 1 1 18 18 LYS N N 308 120.961 120.961 122.013 -1.052 17490 6312 1 11 . 1 1 18 18 LYS HA H 308 4.115 4.115 4.100 0.015 17490 6313 1 11 . 1 1 18 18 LYS C C 308 178.999 178.999 178.131 0.868 17490 6314 1 11 . 1 1 18 18 LYS CA C 308 58.606 58.606 58.697 -0.091 17490 6315 1 11 . 1 1 18 18 LYS CB C 308 31.614 31.614 32.282 -0.668 17490 6316 1 11 . 1 1 18 18 LYS H H 308 8.060 8.060 8.324 -0.264 17490 6317 1 11 . 1 1 19 19 GLU N N 309 118.377 118.377 119.268 -0.891 17490 6318 1 11 . 1 1 19 19 GLU HA H 309 4.198 4.198 4.215 -0.017 17490 6319 1 11 . 1 1 19 19 GLU C C 309 178.136 178.136 178.444 -0.308 17490 6320 1 11 . 1 1 19 19 GLU CA C 309 57.939 57.939 59.010 -1.071 17490 6321 1 11 . 1 1 19 19 GLU CB C 309 30.115 30.115 29.925 0.190 17490 6322 1 11 . 1 1 19 19 GLU H H 309 7.520 7.520 7.742 -0.222 17490 6323 1 11 . 1 1 20 20 LEU N N 310 118.101 118.101 117.485 0.616 17490 6324 1 11 . 1 1 20 20 LEU HA H 310 4.168 4.168 4.169 -0.001 17490 6325 1 11 . 1 1 20 20 LEU C C 310 179.112 179.112 178.045 1.067 17490 6326 1 11 . 1 1 20 20 LEU CA C 310 56.583 56.583 57.082 -0.499 17490 6327 1 11 . 1 1 20 20 LEU CB C 310 41.611 41.611 41.491 0.120 17490 6328 1 11 . 1 1 20 20 LEU H H 310 7.741 7.741 7.535 0.206 17490 6329 1 11 . 1 1 21 21 GLU N N 311 116.130 116.130 118.606 -2.476 17490 6330 1 11 . 1 1 21 21 GLU HA H 311 4.342 4.342 4.169 0.173 17490 6331 1 11 . 1 1 21 21 GLU C C 311 176.928 176.928 178.939 -2.011 17490 6332 1 11 . 1 1 21 21 GLU CA C 311 58.216 58.216 58.483 -0.268 17490 6333 1 11 . 1 1 21 21 GLU CB C 311 29.608 29.608 29.687 -0.079 17490 6334 1 11 . 1 1 21 21 GLU H H 311 7.747 7.747 7.657 0.090 17490 6335 1 11 . 1 1 22 22 THR N N 312 106.131 106.131 117.434 -11.303 17490 6336 1 11 . 1 1 22 22 THR HA H 312 4.182 4.182 4.171 0.011 17490 6337 1 11 . 1 1 22 22 THR C C 312 172.032 172.032 176.068 -4.036 17490 6338 1 11 . 1 1 22 22 THR CA C 312 61.539 61.539 65.533 -3.994 17490 6339 1 11 . 1 1 22 22 THR CB C 312 69.426 69.426 68.839 0.587 17490 6340 1 11 . 1 1 22 22 THR H H 312 7.446 7.446 8.022 -0.576 17490 6341 1 11 . 1 1 23 23 LEU N N 313 120.178 120.178 117.708 2.470 17490 6342 1 11 . 1 1 23 23 LEU HA H 313 5.869 5.869 4.920 0.949 17490 6343 1 11 . 1 1 23 23 LEU C C 313 175.604 175.604 176.041 -0.437 17490 6344 1 11 . 1 1 23 23 LEU CA C 313 52.838 52.838 53.969 -1.131 17490 6345 1 11 . 1 1 23 23 LEU CB C 313 46.851 46.851 44.559 2.292 17490 6346 1 11 . 1 1 23 23 LEU H H 313 7.538 7.538 7.764 -0.226 17490 6347 1 11 . 1 1 24 24 ILE N N 314 113.990 113.990 111.042 2.948 17490 6348 1 11 . 1 1 24 24 ILE HA H 314 4.717 4.717 4.600 0.117 17490 6349 1 11 . 1 1 24 24 ILE C C 314 173.530 173.530 173.783 -0.253 17490 6350 1 11 . 1 1 24 24 ILE CA C 314 59.368 59.368 59.339 0.029 17490 6351 1 11 . 1 1 24 24 ILE CB C 314 42.319 42.319 41.596 0.723 17490 6352 1 11 . 1 1 24 24 ILE H H 314 8.904 8.904 8.213 0.691 17490 6353 1 11 . 1 1 25 25 CYS N N 315 117.755 117.755 119.781 -2.026 17490 6354 1 11 . 1 1 25 25 CYS HA H 315 5.914 5.914 4.948 0.966 17490 6355 1 11 . 1 1 25 25 CYS C C 315 174.153 174.153 174.330 -0.177 17490 6356 1 11 . 1 1 25 25 CYS CA C 315 57.187 57.187 58.139 -0.952 17490 6357 1 11 . 1 1 25 25 CYS CB C 315 31.754 31.754 28.472 3.282 17490 6358 1 11 . 1 1 25 25 CYS H H 315 9.021 9.021 8.892 0.129 17490 6359 1 11 . 1 1 26 26 LEU N N 316 119.952 119.952 126.739 -6.787 17490 6360 1 11 . 1 1 26 26 LEU HA H 316 5.363 5.363 4.775 0.588 17490 6361 1 11 . 1 1 26 26 LEU C C 316 176.015 176.015 175.758 0.257 17490 6362 1 11 . 1 1 26 26 LEU CA C 316 53.072 53.072 55.094 -2.022 17490 6363 1 11 . 1 1 26 26 LEU CB C 316 45.891 45.891 43.199 2.692 17490 6364 1 11 . 1 1 26 26 LEU H H 316 8.778 8.778 9.189 -0.411 17490 6365 1 11 . 1 1 27 27 PHE N N 317 116.116 116.116 125.538 -9.422 17490 6366 1 11 . 1 1 27 27 PHE HA H 317 4.158 4.158 5.443 -1.285 17490 6367 1 11 . 1 1 27 27 PHE CA C 317 55.594 55.594 54.164 1.430 17490 6368 1 11 . 1 1 27 27 PHE CB C 317 37.765 37.765 40.876 -3.111 17490 6369 1 11 . 1 1 27 27 PHE H H 317 7.827 7.827 8.851 -1.024 17490 6370 1 11 . 1 1 28 28 PRO HA H 318 5.322 5.322 4.641 0.681 17490 6371 1 11 . 1 1 28 28 PRO C C 318 175.163 175.163 175.014 0.149 17490 6372 1 11 . 1 1 28 28 PRO CA C 318 61.657 61.657 62.272 -0.615 17490 6373 1 11 . 1 1 28 28 PRO CB C 318 34.356 34.356 31.017 3.339 17490 6374 1 11 . 1 1 29 29 LEU N N 319 120.206 120.206 116.826 3.380 17490 6375 1 11 . 1 1 29 29 LEU HA H 319 4.674 4.674 4.501 0.173 17490 6376 1 11 . 1 1 29 29 LEU C C 319 176.806 176.806 175.647 1.159 17490 6377 1 11 . 1 1 29 29 LEU CA C 319 52.817 52.817 53.641 -0.824 17490 6378 1 11 . 1 1 29 29 LEU CB C 319 45.029 45.029 44.314 0.715 17490 6379 1 11 . 1 1 29 29 LEU H H 319 8.365 8.365 7.300 1.065 17490 6380 1 11 . 1 1 30 30 SER N N 320 117.220 117.220 116.242 0.978 17490 6381 1 11 . 1 1 30 30 SER HA H 320 4.475 4.475 4.447 0.028 17490 6382 1 11 . 1 1 30 30 SER C C 320 174.677 174.677 174.967 -0.290 17490 6383 1 11 . 1 1 30 30 SER CA C 320 57.768 57.768 57.516 0.252 17490 6384 1 11 . 1 1 30 30 SER CB C 320 64.118 64.118 63.769 0.349 17490 6385 1 11 . 1 1 30 30 SER H H 320 8.652 8.652 8.308 0.344 17490 6386 1 11 . 1 1 31 31 ASP N N 321 121.514 121.514 119.655 1.859 17490 6387 1 11 . 1 1 31 31 ASP HA H 321 4.471 4.471 4.555 -0.084 17490 6388 1 11 . 1 1 31 31 ASP C C 321 176.811 176.811 176.585 0.226 17490 6389 1 11 . 1 1 31 31 ASP CA C 321 55.388 55.388 55.256 0.132 17490 6390 1 11 . 1 1 31 31 ASP CB C 321 40.060 40.060 41.011 -0.951 17490 6391 1 11 . 1 1 31 31 ASP H H 321 8.587 8.587 8.587 -0.000 17490 6392 1 11 . 1 1 32 32 LYS N N 322 117.990 117.990 119.705 -1.715 17490 6393 1 11 . 1 1 32 32 LYS HA H 322 4.331 4.331 4.448 -0.117 17490 6394 1 11 . 1 1 32 32 LYS C C 322 176.804 176.804 175.156 1.648 17490 6395 1 11 . 1 1 32 32 LYS CA C 322 55.545 55.545 55.608 -0.063 17490 6396 1 11 . 1 1 32 32 LYS CB C 322 31.942 31.942 33.109 -1.167 17490 6397 1 11 . 1 1 32 32 LYS H H 322 8.053 8.053 8.136 -0.083 17490 6398 1 11 . 1 1 33 33 VAL N N 323 119.570 119.570 116.698 2.872 17490 6399 1 11 . 1 1 33 33 VAL HA H 323 3.922 3.922 4.271 -0.349 17490 6400 1 11 . 1 1 33 33 VAL C C 323 173.362 173.362 175.766 -2.404 17490 6401 1 11 . 1 1 33 33 VAL CA C 323 63.294 63.294 60.497 2.797 17490 6402 1 11 . 1 1 33 33 VAL CB C 323 32.410 32.410 32.865 -0.455 17490 6403 1 11 . 1 1 33 33 VAL H H 323 7.333 7.333 7.496 -0.163 17490 6404 1 11 . 1 1 34 34 SER N N 324 118.908 118.908 116.102 2.806 17490 6405 1 11 . 1 1 34 34 SER HA H 324 5.104 5.104 4.868 0.236 17490 6406 1 11 . 1 1 34 34 SER CA C 324 55.114 55.114 56.371 -1.258 17490 6407 1 11 . 1 1 34 34 SER CB C 324 64.522 64.522 65.043 -0.521 17490 6408 1 11 . 1 1 34 34 SER H H 324 7.099 7.099 8.127 -1.028 17490 6409 1 11 . 1 1 35 35 PRO HA H 325 4.038 4.038 4.134 -0.096 17490 6410 1 11 . 1 1 35 35 PRO C C 325 178.107 178.107 178.560 -0.453 17490 6411 1 11 . 1 1 35 35 PRO CA C 325 66.275 66.275 65.695 0.580 17490 6412 1 11 . 1 1 35 35 PRO CB C 325 31.873 31.873 31.890 -0.017 17490 6413 1 11 . 1 1 36 36 SER N N 326 111.480 111.480 113.838 -2.358 17490 6414 1 11 . 1 1 36 36 SER HA H 326 4.179 4.179 4.237 -0.058 17490 6415 1 11 . 1 1 36 36 SER C C 326 176.897 176.897 176.575 0.322 17490 6416 1 11 . 1 1 36 36 SER CA C 326 61.731 61.731 61.220 0.511 17490 6417 1 11 . 1 1 36 36 SER CB C 326 62.211 62.211 62.606 -0.395 17490 6418 1 11 . 1 1 36 36 SER H H 326 8.172 8.172 8.358 -0.186 17490 6419 1 11 . 1 1 37 37 LEU N N 327 123.898 123.898 122.983 0.915 17490 6420 1 11 . 1 1 37 37 LEU HA H 327 4.311 4.311 4.025 0.286 17490 6421 1 11 . 1 1 37 37 LEU C C 327 180.292 180.292 178.825 1.467 17490 6422 1 11 . 1 1 37 37 LEU CA C 327 57.921 57.921 57.543 0.378 17490 6423 1 11 . 1 1 37 37 LEU CB C 327 42.694 42.694 41.662 1.032 17490 6424 1 11 . 1 1 37 37 LEU H H 327 7.751 7.751 7.212 0.539 17490 6425 1 11 . 1 1 38 38 ILE N N 328 119.411 119.411 119.911 -0.500 17490 6426 1 11 . 1 1 38 38 ILE HA H 328 3.627 3.627 3.648 -0.021 17490 6427 1 11 . 1 1 38 38 ILE C C 328 176.884 176.884 178.029 -1.145 17490 6428 1 11 . 1 1 38 38 ILE CA C 328 65.153 65.153 66.084 -0.931 17490 6429 1 11 . 1 1 38 38 ILE CB C 328 37.446 37.446 37.818 -0.372 17490 6430 1 11 . 1 1 38 38 ILE H H 328 7.636 7.636 7.690 -0.054 17490 6431 1 11 . 1 1 39 39 CYS N N 329 120.430 120.430 117.741 2.689 17490 6432 1 11 . 1 1 39 39 CYS HA H 329 3.743 3.743 3.955 -0.212 17490 6433 1 11 . 1 1 39 39 CYS C C 329 176.205 176.205 177.172 -0.967 17490 6434 1 11 . 1 1 39 39 CYS CA C 329 63.564 63.564 63.212 0.353 17490 6435 1 11 . 1 1 39 39 CYS CB C 329 26.285 26.285 26.256 0.029 17490 6436 1 11 . 1 1 39 39 CYS H H 329 8.640 8.640 7.613 1.027 17490 6437 1 11 . 1 1 40 40 GLN N N 330 118.263 118.263 119.639 -1.376 17490 6438 1 11 . 1 1 40 40 GLN HA H 330 4.099 4.099 4.030 0.069 17490 6439 1 11 . 1 1 40 40 GLN C C 330 177.445 177.445 178.685 -1.240 17490 6440 1 11 . 1 1 40 40 GLN CA C 330 59.496 59.496 58.373 1.123 17490 6441 1 11 . 1 1 40 40 GLN CB C 330 28.469 28.469 27.658 0.811 17490 6442 1 11 . 1 1 40 40 GLN H H 330 8.213 8.213 8.083 0.130 17490 6443 1 11 . 1 1 41 41 PHE N N 331 121.411 121.411 120.756 0.655 17490 6444 1 11 . 1 1 41 41 PHE HA H 331 4.661 4.661 4.173 0.488 17490 6445 1 11 . 1 1 41 41 PHE C C 331 177.475 177.475 177.607 -0.132 17490 6446 1 11 . 1 1 41 41 PHE CA C 331 60.181 60.181 60.942 -0.761 17490 6447 1 11 . 1 1 41 41 PHE CB C 331 39.561 39.561 38.919 0.642 17490 6448 1 11 . 1 1 41 41 PHE H H 331 7.806 7.806 8.257 -0.451 17490 6449 1 11 . 1 1 42 42 LEU N N 332 119.016 119.016 119.417 -0.401 17490 6450 1 11 . 1 1 42 42 LEU HA H 332 3.508 3.508 3.663 -0.155 17490 6451 1 11 . 1 1 42 42 LEU C C 332 178.495 178.495 179.082 -0.587 17490 6452 1 11 . 1 1 42 42 LEU CA C 332 57.545 57.545 57.675 -0.130 17490 6453 1 11 . 1 1 42 42 LEU CB C 332 40.880 40.880 41.568 -0.688 17490 6454 1 11 . 1 1 42 42 LEU H H 332 8.436 8.436 8.080 0.356 17490 6455 1 11 . 1 1 43 43 GLN N N 333 116.210 116.210 116.786 -0.576 17490 6456 1 11 . 1 1 43 43 GLN HA H 333 4.590 4.590 4.130 0.460 17490 6457 1 11 . 1 1 43 43 GLN C C 333 178.499 178.499 178.508 -0.009 17490 6458 1 11 . 1 1 43 43 GLN CA C 333 58.875 58.875 58.672 0.203 17490 6459 1 11 . 1 1 43 43 GLN CB C 333 30.846 30.846 28.430 2.416 17490 6460 1 11 . 1 1 43 43 GLN H H 333 8.236 8.236 8.457 -0.221 17490 6461 1 11 . 1 1 44 44 GLU N N 334 117.050 117.050 120.198 -3.148 17490 6462 1 11 . 1 1 44 44 GLU HA H 334 4.116 4.116 4.135 -0.019 17490 6463 1 11 . 1 1 44 44 GLU C C 334 177.407 177.407 178.310 -0.903 17490 6464 1 11 . 1 1 44 44 GLU CA C 334 58.756 58.756 59.288 -0.531 17490 6465 1 11 . 1 1 44 44 GLU CB C 334 30.518 30.518 29.781 0.737 17490 6466 1 11 . 1 1 44 44 GLU H H 334 8.926 8.926 8.462 0.464 17490 6467 1 11 . 1 1 45 45 GLU N N 335 114.950 114.950 116.265 -1.315 17490 6468 1 11 . 1 1 45 45 GLU HA H 335 4.354 4.354 4.269 0.085 17490 6469 1 11 . 1 1 45 45 GLU C C 335 176.873 176.873 178.411 -1.538 17490 6470 1 11 . 1 1 45 45 GLU CA C 335 57.018 57.018 57.113 -0.095 17490 6471 1 11 . 1 1 45 45 GLU CB C 335 29.537 29.537 30.219 -0.682 17490 6472 1 11 . 1 1 45 45 GLU H H 335 8.054 8.054 7.869 0.185 17490 6473 1 11 . 1 1 46 46 ILE N N 336 115.649 115.649 117.050 -1.401 17490 6474 1 11 . 1 1 46 46 ILE HA H 336 3.895 3.895 3.944 -0.049 17490 6475 1 11 . 1 1 46 46 ILE C C 336 175.873 175.873 175.929 -0.056 17490 6476 1 11 . 1 1 46 46 ILE CA C 336 58.097 58.097 61.167 -3.071 17490 6477 1 11 . 1 1 46 46 ILE CB C 336 35.077 35.077 37.385 -2.308 17490 6478 1 11 . 1 1 46 46 ILE H H 336 6.749 6.749 7.549 -0.800 17490 6479 1 11 . 1 1 47 47 HIS N N 337 111.685 111.685 113.973 -2.288 17490 6480 1 11 . 1 1 47 47 HIS HA H 337 4.520 4.520 4.364 0.156 17490 6481 1 11 . 1 1 47 47 HIS C C 337 174.787 174.787 174.312 0.475 17490 6482 1 11 . 1 1 47 47 HIS CA C 337 56.387 56.387 56.104 0.283 17490 6483 1 11 . 1 1 47 47 HIS CB C 337 24.947 24.947 27.126 -2.179 17490 6484 1 11 . 1 1 47 47 HIS H H 337 6.652 6.652 7.694 -1.042 17490 6485 1 11 . 1 1 48 48 ILE N N 338 118.069 118.069 119.175 -1.106 17490 6486 1 11 . 1 1 48 48 ILE HA H 338 4.433 4.433 3.893 0.540 17490 6487 1 11 . 1 1 48 48 ILE C C 338 175.031 175.031 175.184 -0.153 17490 6488 1 11 . 1 1 48 48 ILE CA C 338 60.737 60.737 63.089 -2.352 17490 6489 1 11 . 1 1 48 48 ILE CB C 338 38.861 38.861 38.385 0.476 17490 6490 1 11 . 1 1 48 48 ILE H H 338 7.963 7.963 7.286 0.677 17490 6491 1 11 . 1 1 49 49 ASN N N 339 123.991 123.991 122.224 1.767 17490 6492 1 11 . 1 1 49 49 ASN HA H 339 4.691 4.691 4.806 -0.115 17490 6493 1 11 . 1 1 49 49 ASN C C 339 176.381 176.381 175.197 1.184 17490 6494 1 11 . 1 1 49 49 ASN CA C 339 53.296 53.296 51.799 1.497 17490 6495 1 11 . 1 1 49 49 ASN CB C 339 40.570 40.570 39.662 0.908 17490 6496 1 11 . 1 1 49 49 ASN H H 339 9.222 9.222 7.826 1.396 17490 6497 1 11 . 1 1 50 50 GLU N N 340 125.549 125.549 117.271 8.278 17490 6498 1 11 . 1 1 50 50 GLU HA H 340 3.792 3.792 3.930 -0.138 17490 6499 1 11 . 1 1 50 50 GLU C C 340 177.988 177.988 177.271 0.717 17490 6500 1 11 . 1 1 50 50 GLU CA C 340 59.807 59.807 59.345 0.462 17490 6501 1 11 . 1 1 50 50 GLU CB C 340 29.143 29.143 29.272 -0.129 17490 6502 1 11 . 1 1 50 50 GLU H H 340 8.971 8.971 8.823 0.148 17490 6503 1 11 . 1 1 51 51 LYS N N 341 116.019 116.019 116.087 -0.068 17490 6504 1 11 . 1 1 51 51 LYS HA H 341 4.117 4.117 4.288 -0.171 17490 6505 1 11 . 1 1 51 51 LYS C C 341 177.283 177.283 177.584 -0.301 17490 6506 1 11 . 1 1 51 51 LYS CA C 341 57.718 57.718 57.455 0.263 17490 6507 1 11 . 1 1 51 51 LYS CB C 341 31.650 31.650 32.893 -1.243 17490 6508 1 11 . 1 1 51 51 LYS H H 341 8.424 8.424 7.913 0.511 17490 6509 1 11 . 1 1 52 52 ASP N N 342 117.576 117.576 119.876 -2.300 17490 6510 1 11 . 1 1 52 52 ASP HA H 342 4.444 4.444 4.488 -0.044 17490 6511 1 11 . 1 1 52 52 ASP C C 342 175.454 175.454 176.765 -1.311 17490 6512 1 11 . 1 1 52 52 ASP CA C 342 56.002 56.002 57.110 -1.108 17490 6513 1 11 . 1 1 52 52 ASP CB C 342 41.937 41.937 42.017 -0.080 17490 6514 1 11 . 1 1 52 52 ASP H H 342 7.908 7.908 8.766 -0.858 17490 6515 1 11 . 1 1 53 53 ILE N N 343 120.515 120.515 119.130 1.385 17490 6516 1 11 . 1 1 53 53 ILE HA H 343 3.875 3.875 4.317 -0.442 17490 6517 1 11 . 1 1 53 53 ILE C C 343 174.966 174.966 174.730 0.236 17490 6518 1 11 . 1 1 53 53 ILE CA C 343 61.101 61.101 60.114 0.987 17490 6519 1 11 . 1 1 53 53 ILE CB C 343 39.931 39.931 39.232 0.699 17490 6520 1 11 . 1 1 53 53 ILE H H 343 7.480 7.480 7.410 0.070 17490 6521 1 11 . 1 1 54 54 ARG N N 344 125.353 125.353 126.744 -1.391 17490 6522 1 11 . 1 1 54 54 ARG HA H 344 4.291 4.291 4.236 0.055 17490 6523 1 11 . 1 1 54 54 ARG C C 344 176.642 176.642 176.569 0.073 17490 6524 1 11 . 1 1 54 54 ARG CA C 344 57.550 57.550 57.873 -0.323 17490 6525 1 11 . 1 1 54 54 ARG CB C 344 30.848 30.848 31.482 -0.634 17490 6526 1 11 . 1 1 54 54 ARG H H 344 9.063 9.063 9.012 0.051 17490 6527 1 11 . 1 1 55 55 LYS N N 345 116.212 116.212 116.775 -0.563 17490 6528 1 11 . 1 1 55 55 LYS HA H 345 4.417 4.417 4.512 -0.095 17490 6529 1 11 . 1 1 55 55 LYS C C 345 173.004 173.004 174.043 -1.039 17490 6530 1 11 . 1 1 55 55 LYS CA C 345 55.873 55.873 55.783 0.090 17490 6531 1 11 . 1 1 55 55 LYS CB C 345 36.582 36.582 37.021 -0.439 17490 6532 1 11 . 1 1 55 55 LYS H H 345 7.569 7.569 7.572 -0.003 17490 6533 1 11 . 1 1 56 56 ILE N N 346 122.685 122.685 122.343 0.342 17490 6534 1 11 . 1 1 56 56 ILE HA H 346 4.731 4.731 5.259 -0.528 17490 6535 1 11 . 1 1 56 56 ILE C C 346 174.163 174.163 173.591 0.572 17490 6536 1 11 . 1 1 56 56 ILE CA C 346 60.843 60.843 59.590 1.253 17490 6537 1 11 . 1 1 56 56 ILE CB C 346 40.816 40.816 40.727 0.089 17490 6538 1 11 . 1 1 56 56 ILE H H 346 8.229 8.229 8.362 -0.133 17490 6539 1 11 . 1 1 57 57 LEU N N 347 126.095 126.095 128.183 -2.088 17490 6540 1 11 . 1 1 57 57 LEU HA H 347 4.775 4.775 4.806 -0.031 17490 6541 1 11 . 1 1 57 57 LEU C C 347 175.764 175.764 174.759 1.005 17490 6542 1 11 . 1 1 57 57 LEU CA C 347 52.746 52.746 54.021 -1.275 17490 6543 1 11 . 1 1 57 57 LEU CB C 347 45.364 45.364 46.570 -1.206 17490 6544 1 11 . 1 1 57 57 LEU H H 347 9.279 9.279 8.935 0.344 17490 6545 1 11 . 1 1 58 58 LEU N N 348 122.946 122.946 122.062 0.884 17490 6546 1 11 . 1 1 58 58 LEU HA H 348 4.338 4.338 4.556 -0.218 17490 6547 1 11 . 1 1 58 58 LEU C C 348 176.476 176.476 176.531 -0.055 17490 6548 1 11 . 1 1 58 58 LEU CA C 348 55.221 55.221 54.141 1.080 17490 6549 1 11 . 1 1 58 58 LEU CB C 348 41.496 41.496 42.746 -1.250 17490 6550 1 11 . 1 1 58 58 LEU H H 348 8.925 8.925 9.388 -0.463 17490 6551 1 11 . 1 1 59 59 VAL N N 349 123.378 123.378 126.030 -2.652 17490 6552 1 11 . 1 1 59 59 VAL HA H 349 4.385 4.385 4.518 -0.133 17490 6553 1 11 . 1 1 59 59 VAL C C 349 176.335 176.335 175.675 0.660 17490 6554 1 11 . 1 1 59 59 VAL CA C 349 59.595 59.595 61.599 -2.004 17490 6555 1 11 . 1 1 59 59 VAL CB C 349 31.100 31.100 30.076 1.024 17490 6556 1 11 . 1 1 59 59 VAL H H 349 8.637 8.637 8.758 -0.121 17490 6557 1 11 . 1 1 60 60 SER N N 350 124.152 124.152 117.535 6.617 17490 6558 1 11 . 1 1 60 60 SER HA H 350 3.907 3.907 4.513 -0.606 17490 6559 1 11 . 1 1 60 60 SER C C 350 177.518 177.518 174.015 3.503 17490 6560 1 11 . 1 1 60 60 SER CA C 350 62.261 62.261 58.878 3.383 17490 6561 1 11 . 1 1 60 60 SER CB C 350 62.301 62.301 63.481 -1.181 17490 6562 1 11 . 1 1 60 60 SER H H 350 8.755 8.755 8.311 0.444 17490 6563 1 11 . 1 1 61 61 ASP N N 351 119.224 119.224 119.683 -0.459 17490 6564 1 11 . 1 1 61 61 ASP HA H 351 3.964 3.964 4.390 -0.426 17490 6565 1 11 . 1 1 61 61 ASP C C 351 174.721 174.721 173.893 0.828 17490 6566 1 11 . 1 1 61 61 ASP CA C 351 56.162 56.162 53.229 2.933 17490 6567 1 11 . 1 1 61 61 ASP CB C 351 40.102 40.102 40.282 -0.180 17490 6568 1 11 . 1 1 61 61 ASP H H 351 9.011 9.011 8.122 0.889 17490 6569 1 11 . 1 1 62 62 PHE N N 352 110.179 110.179 114.966 -4.787 17490 6570 1 11 . 1 1 62 62 PHE HA H 352 3.983 3.983 4.620 -0.637 17490 6571 1 11 . 1 1 62 62 PHE C C 352 173.268 173.268 173.824 -0.556 17490 6572 1 11 . 1 1 62 62 PHE CA C 352 56.221 56.221 55.812 0.409 17490 6573 1 11 . 1 1 62 62 PHE CB C 352 39.789 39.789 37.703 2.086 17490 6574 1 11 . 1 1 62 62 PHE H H 352 6.702 6.702 7.171 -0.469 17490 6575 1 11 . 1 1 63 63 ASN N N 353 114.980 114.980 118.827 -3.847 17490 6576 1 11 . 1 1 63 63 ASN HA H 353 4.665 4.665 4.359 0.306 17490 6577 1 11 . 1 1 63 63 ASN C C 353 174.360 174.360 174.733 -0.373 17490 6578 1 11 . 1 1 63 63 ASN CA C 353 54.158 54.158 54.203 -0.045 17490 6579 1 11 . 1 1 63 63 ASN CB C 353 37.889 37.889 36.884 1.005 17490 6580 1 11 . 1 1 63 63 ASN H H 353 7.708 7.708 8.541 -0.833 17490 6581 1 11 . 1 1 64 64 GLY N N 354 102.117 102.117 103.897 -1.780 17490 6582 1 11 . 1 1 64 64 GLY C C 354 173.093 173.093 171.807 1.286 17490 6583 1 11 . 1 1 64 64 GLY CA C 354 45.413 45.413 44.032 1.381 17490 6584 1 11 . 1 1 64 64 GLY H H 354 7.722 7.722 8.487 -0.765 17490 6585 1 11 . 1 1 65 65 ALA N N 355 120.262 120.262 121.441 -1.179 17490 6586 1 11 . 1 1 65 65 ALA HA H 355 5.055 5.055 5.037 0.018 17490 6587 1 11 . 1 1 65 65 ALA C C 355 174.731 174.731 175.363 -0.632 17490 6588 1 11 . 1 1 65 65 ALA CA C 355 51.429 51.429 50.867 0.562 17490 6589 1 11 . 1 1 65 65 ALA CB C 355 22.924 22.924 21.748 1.176 17490 6590 1 11 . 1 1 65 65 ALA H H 355 8.785 8.785 8.648 0.137 17490 6591 1 11 . 1 1 66 66 ILE N N 356 121.244 121.244 126.857 -5.613 17490 6592 1 11 . 1 1 66 66 ILE HA H 356 4.711 4.711 4.918 -0.207 17490 6593 1 11 . 1 1 66 66 ILE C C 356 174.154 174.154 173.930 0.224 17490 6594 1 11 . 1 1 66 66 ILE CA C 356 60.570 60.570 60.820 -0.250 17490 6595 1 11 . 1 1 66 66 ILE CB C 356 41.943 41.943 39.806 2.137 17490 6596 1 11 . 1 1 66 66 ILE H H 356 9.390 9.390 8.267 1.123 17490 6597 1 11 . 1 1 67 67 ILE N N 357 127.255 127.255 129.666 -2.411 17490 6598 1 11 . 1 1 67 67 ILE HA H 357 4.433 4.433 4.803 -0.370 17490 6599 1 11 . 1 1 67 67 ILE C C 357 174.004 174.004 174.639 -0.635 17490 6600 1 11 . 1 1 67 67 ILE CA C 357 59.826 59.826 60.241 -0.415 17490 6601 1 11 . 1 1 67 67 ILE CB C 357 38.965 38.965 42.301 -3.336 17490 6602 1 11 . 1 1 67 67 ILE H H 357 9.291 9.291 8.831 0.460 17490 6603 1 11 . 1 1 68 68 ILE N N 358 124.623 124.623 127.238 -2.615 17490 6604 1 11 . 1 1 68 68 ILE HA H 358 4.293 4.293 4.426 -0.133 17490 6605 1 11 . 1 1 68 68 ILE C C 358 176.052 176.052 175.815 0.237 17490 6606 1 11 . 1 1 68 68 ILE CA C 358 61.079 61.079 60.641 0.438 17490 6607 1 11 . 1 1 68 68 ILE CB C 358 38.373 38.373 37.513 0.860 17490 6608 1 11 . 1 1 68 68 ILE H H 358 8.681 8.681 8.574 0.107 17490 6609 1 11 . 1 1 69 69 PHE N N 359 126.100 126.100 126.696 -0.596 17490 6610 1 11 . 1 1 69 69 PHE HA H 359 5.130 5.130 4.281 0.849 17490 6611 1 11 . 1 1 69 69 PHE C C 359 175.355 175.355 177.264 -1.909 17490 6612 1 11 . 1 1 69 69 PHE CA C 359 58.156 58.156 62.599 -4.443 17490 6613 1 11 . 1 1 69 69 PHE CB C 359 41.592 41.592 39.308 2.284 17490 6614 1 11 . 1 1 69 69 PHE H H 359 9.086 9.086 8.721 0.365 17490 6615 1 11 . 1 1 70 70 ARG N N 360 115.935 115.935 114.508 1.427 17490 6616 1 11 . 1 1 70 70 ARG HA H 360 4.068 4.068 4.550 -0.482 17490 6617 1 11 . 1 1 70 70 ARG C C 360 175.099 175.099 174.502 0.597 17490 6618 1 11 . 1 1 70 70 ARG CA C 360 58.594 58.594 56.167 2.427 17490 6619 1 11 . 1 1 70 70 ARG CB C 360 30.664 30.664 32.171 -1.507 17490 6620 1 11 . 1 1 70 70 ARG H H 360 8.268 8.268 8.664 -0.396 17490 6621 1 11 . 1 1 71 71 ASP N N 361 113.892 113.892 114.972 -1.080 17490 6622 1 11 . 1 1 71 71 ASP HA H 361 4.880 4.880 4.666 0.214 17490 6623 1 11 . 1 1 71 71 ASP C C 361 176.087 176.087 175.552 0.535 17490 6624 1 11 . 1 1 71 71 ASP CA C 361 53.329 53.329 54.154 -0.825 17490 6625 1 11 . 1 1 71 71 ASP CB C 361 44.131 44.131 43.232 0.899 17490 6626 1 11 . 1 1 71 71 ASP H H 361 7.673 7.673 7.966 -0.293 17490 6627 1 11 . 1 1 72 72 SER N N 362 118.590 118.590 117.627 0.963 17490 6628 1 11 . 1 1 72 72 SER HA H 362 4.310 4.310 4.451 -0.141 17490 6629 1 11 . 1 1 72 72 SER C C 362 176.600 176.600 176.171 0.429 17490 6630 1 11 . 1 1 72 72 SER CA C 362 60.739 60.739 60.942 -0.203 17490 6631 1 11 . 1 1 72 72 SER CB C 362 62.872 62.872 63.294 -0.422 17490 6632 1 11 . 1 1 72 72 SER H H 362 9.103 9.103 8.808 0.295 17490 6633 1 11 . 1 1 73 73 LYS N N 363 125.872 125.872 120.280 5.592 17490 6634 1 11 . 1 1 73 73 LYS HA H 363 4.134 4.134 3.877 0.257 17490 6635 1 11 . 1 1 73 73 LYS C C 363 179.386 179.386 178.993 0.393 17490 6636 1 11 . 1 1 73 73 LYS CA C 363 59.283 59.283 59.124 0.159 17490 6637 1 11 . 1 1 73 73 LYS CB C 363 31.491 31.491 31.939 -0.448 17490 6638 1 11 . 1 1 73 73 LYS H H 363 8.332 8.332 8.007 0.325 17490 6639 1 11 . 1 1 74 74 PHE N N 364 123.145 123.145 118.580 4.565 17490 6640 1 11 . 1 1 74 74 PHE HA H 364 3.968 3.968 4.192 -0.224 17490 6641 1 11 . 1 1 74 74 PHE C C 364 177.819 177.819 177.400 0.419 17490 6642 1 11 . 1 1 74 74 PHE CA C 364 61.588 61.588 60.059 1.529 17490 6643 1 11 . 1 1 74 74 PHE CB C 364 39.963 39.963 38.036 1.927 17490 6644 1 11 . 1 1 74 74 PHE H H 364 8.482 8.482 7.283 1.199 17490 6645 1 11 . 1 1 75 75 ALA N N 365 119.451 119.451 122.169 -2.718 17490 6646 1 11 . 1 1 75 75 ALA HA H 365 3.396 3.396 3.772 -0.377 17490 6647 1 11 . 1 1 75 75 ALA C C 365 178.100 178.100 179.487 -1.387 17490 6648 1 11 . 1 1 75 75 ALA CA C 365 55.584 55.584 55.198 0.386 17490 6649 1 11 . 1 1 75 75 ALA CB C 365 18.265 18.265 17.959 0.306 17490 6650 1 11 . 1 1 75 75 ALA H H 365 7.835 7.835 8.444 -0.609 17490 6651 1 11 . 1 1 76 76 ALA N N 366 117.626 117.626 120.002 -2.376 17490 6652 1 11 . 1 1 76 76 ALA HA H 366 4.033 4.033 4.135 -0.102 17490 6653 1 11 . 1 1 76 76 ALA C C 366 180.569 180.569 179.330 1.239 17490 6654 1 11 . 1 1 76 76 ALA CA C 366 54.996 54.996 54.721 0.274 17490 6655 1 11 . 1 1 76 76 ALA CB C 366 18.040 18.040 18.297 -0.257 17490 6656 1 11 . 1 1 76 76 ALA H H 366 7.680 7.680 7.885 -0.205 17490 6657 1 11 . 1 1 77 77 LYS N N 367 118.273 118.273 119.760 -1.487 17490 6658 1 11 . 1 1 77 77 LYS HA H 367 3.998 3.998 4.049 -0.051 17490 6659 1 11 . 1 1 77 77 LYS C C 367 178.964 178.964 178.638 0.326 17490 6660 1 11 . 1 1 77 77 LYS CA C 367 58.803 58.803 59.135 -0.331 17490 6661 1 11 . 1 1 77 77 LYS CB C 367 32.106 32.106 32.529 -0.423 17490 6662 1 11 . 1 1 77 77 LYS H H 367 7.302 7.302 7.829 -0.527 17490 6663 1 11 . 1 1 78 78 MET N N 368 117.578 117.578 118.805 -1.227 17490 6664 1 11 . 1 1 78 78 MET HA H 368 4.273 4.273 4.273 -0.000 17490 6665 1 11 . 1 1 78 78 MET C C 368 178.167 178.167 178.036 0.131 17490 6666 1 11 . 1 1 78 78 MET CA C 368 55.734 55.734 56.492 -0.758 17490 6667 1 11 . 1 1 78 78 MET CB C 368 32.382 32.382 32.153 0.229 17490 6668 1 11 . 1 1 78 78 MET H H 368 7.785 7.785 8.113 -0.328 17490 6669 1 11 . 1 1 79 79 LEU N N 369 120.984 120.984 123.170 -2.186 17490 6670 1 11 . 1 1 79 79 LEU HA H 369 3.786 3.786 4.248 -0.462 17490 6671 1 11 . 1 1 79 79 LEU C C 369 179.060 179.060 178.774 0.286 17490 6672 1 11 . 1 1 79 79 LEU CA C 369 59.377 59.377 58.202 1.175 17490 6673 1 11 . 1 1 79 79 LEU CB C 369 42.354 42.354 42.068 0.286 17490 6674 1 11 . 1 1 79 79 LEU H H 369 8.197 8.197 7.897 0.300 17490 6675 1 11 . 1 1 80 80 MET N N 370 114.071 114.071 115.102 -1.031 17490 6676 1 11 . 1 1 80 80 MET HA H 370 4.277 4.277 4.270 0.007 17490 6677 1 11 . 1 1 80 80 MET C C 370 178.184 178.184 177.957 0.227 17490 6678 1 11 . 1 1 80 80 MET CA C 370 57.627 57.627 57.155 0.472 17490 6679 1 11 . 1 1 80 80 MET CB C 370 32.543 32.543 32.096 0.447 17490 6680 1 11 . 1 1 80 80 MET H H 370 7.018 7.018 8.046 -1.028 17490 6681 1 11 . 1 1 81 81 ILE N N 371 118.056 118.056 117.216 0.840 17490 6682 1 11 . 1 1 81 81 ILE HA H 371 3.885 3.885 4.019 -0.134 17490 6683 1 11 . 1 1 81 81 ILE C C 371 177.491 177.491 177.563 -0.072 17490 6684 1 11 . 1 1 81 81 ILE CA C 371 63.571 63.571 61.880 1.691 17490 6685 1 11 . 1 1 81 81 ILE CB C 371 38.716 38.716 37.790 0.926 17490 6686 1 11 . 1 1 81 81 ILE H H 371 7.615 7.615 7.868 -0.253 17490 6687 1 11 . 1 1 82 82 LEU N N 372 116.858 116.858 118.743 -1.885 17490 6688 1 11 . 1 1 82 82 LEU HA H 372 4.100 4.100 4.476 -0.376 17490 6689 1 11 . 1 1 82 82 LEU C C 372 178.360 178.360 177.103 1.257 17490 6690 1 11 . 1 1 82 82 LEU CA C 372 55.929 55.929 55.317 0.612 17490 6691 1 11 . 1 1 82 82 LEU CB C 372 42.309 42.309 43.197 -0.888 17490 6692 1 11 . 1 1 82 82 LEU H H 372 8.160 8.160 8.127 0.033 17490 6693 1 11 . 1 1 83 83 ASN N N 373 117.015 117.015 117.631 -0.616 17490 6694 1 11 . 1 1 83 83 ASN HA H 373 4.348 4.348 4.731 -0.383 17490 6695 1 11 . 1 1 83 83 ASN C C 373 175.671 175.671 174.974 0.697 17490 6696 1 11 . 1 1 83 83 ASN CA C 373 55.793 55.793 54.407 1.386 17490 6697 1 11 . 1 1 83 83 ASN CB C 373 38.434 38.434 38.431 0.003 17490 6698 1 11 . 1 1 83 83 ASN H H 373 7.058 7.058 7.922 -0.864 17490 6699 1 11 . 1 1 84 84 GLY N N 374 116.878 116.878 111.240 5.638 17490 6700 1 11 . 1 1 84 84 GLY C C 374 174.602 174.602 173.604 0.998 17490 6701 1 11 . 1 1 84 84 GLY CA C 374 45.842 45.842 45.213 0.629 17490 6702 1 11 . 1 1 84 84 GLY H H 374 9.053 9.053 8.352 0.701 17490 6703 1 11 . 1 1 85 85 SER N N 375 116.615 116.615 115.624 0.991 17490 6704 1 11 . 1 1 85 85 SER HA H 375 4.407 4.407 4.861 -0.454 17490 6705 1 11 . 1 1 85 85 SER C C 375 171.580 171.580 173.545 -1.965 17490 6706 1 11 . 1 1 85 85 SER CA C 375 59.280 59.280 57.010 2.270 17490 6707 1 11 . 1 1 85 85 SER CB C 375 64.303 64.303 64.600 -0.297 17490 6708 1 11 . 1 1 85 85 SER H H 375 7.666 7.666 8.147 -0.481 17490 6709 1 11 . 1 1 86 86 GLN N N 376 117.824 117.824 119.743 -1.919 17490 6710 1 11 . 1 1 86 86 GLN HA H 376 4.893 4.893 5.316 -0.423 17490 6711 1 11 . 1 1 86 86 GLN C C 376 175.033 175.033 174.959 0.074 17490 6712 1 11 . 1 1 86 86 GLN CA C 376 54.885 54.885 55.188 -0.304 17490 6713 1 11 . 1 1 86 86 GLN CB C 376 30.733 30.733 31.945 -1.212 17490 6714 1 11 . 1 1 86 86 GLN H H 376 8.381 8.381 8.423 -0.042 17490 6715 1 11 . 1 1 87 87 PHE N N 377 124.095 124.095 123.834 0.261 17490 6716 1 11 . 1 1 87 87 PHE HA H 377 4.472 4.472 4.861 -0.389 17490 6717 1 11 . 1 1 87 87 PHE C C 377 174.760 174.760 174.828 -0.068 17490 6718 1 11 . 1 1 87 87 PHE CA C 377 56.009 56.009 58.665 -2.656 17490 6719 1 11 . 1 1 87 87 PHE CB C 377 41.519 41.519 42.968 -1.449 17490 6720 1 11 . 1 1 87 87 PHE H H 377 8.974 8.974 9.070 -0.096 17490 6721 1 11 . 1 1 88 88 GLN N N 378 126.108 126.108 124.444 1.664 17490 6722 1 11 . 1 1 88 88 GLN HA H 378 3.505 3.505 3.925 -0.420 17490 6723 1 11 . 1 1 88 88 GLN C C 378 176.162 176.162 175.428 0.734 17490 6724 1 11 . 1 1 88 88 GLN CA C 378 56.570 56.570 57.005 -0.435 17490 6725 1 11 . 1 1 88 88 GLN CB C 378 26.070 26.070 27.393 -1.323 17490 6726 1 11 . 1 1 88 88 GLN H H 378 9.139 9.139 8.833 0.306 17490 6727 1 11 . 1 1 89 89 GLY N N 379 103.132 103.132 102.703 0.429 17490 6728 1 11 . 1 1 89 89 GLY C C 379 173.587 173.587 173.691 -0.104 17490 6729 1 11 . 1 1 89 89 GLY CA C 379 45.382 45.382 45.066 0.316 17490 6730 1 11 . 1 1 89 89 GLY H H 379 8.580 8.580 8.187 0.393 17490 6731 1 11 . 1 1 90 90 LYS N N 380 119.783 119.783 119.014 0.769 17490 6732 1 11 . 1 1 90 90 LYS HA H 380 4.697 4.697 4.681 0.016 17490 6733 1 11 . 1 1 90 90 LYS C C 380 174.500 174.500 174.746 -0.246 17490 6734 1 11 . 1 1 90 90 LYS CA C 380 54.019 54.019 54.087 -0.068 17490 6735 1 11 . 1 1 90 90 LYS CB C 380 35.919 35.919 35.615 0.304 17490 6736 1 11 . 1 1 90 90 LYS H H 380 7.457 7.457 7.645 -0.188 17490 6737 1 11 . 1 1 91 91 VAL N N 381 121.517 121.517 120.310 1.207 17490 6738 1 11 . 1 1 91 91 VAL HA H 381 4.294 4.294 4.976 -0.682 17490 6739 1 11 . 1 1 91 91 VAL C C 381 176.729 176.729 175.351 1.378 17490 6740 1 11 . 1 1 91 91 VAL CA C 381 63.176 63.176 61.692 1.484 17490 6741 1 11 . 1 1 91 91 VAL CB C 381 32.073 32.073 33.387 -1.314 17490 6742 1 11 . 1 1 91 91 VAL H H 381 8.256 8.256 8.408 -0.152 17490 6743 1 11 . 1 1 92 92 ILE N N 382 124.746 124.746 123.028 1.718 17490 6744 1 11 . 1 1 92 92 ILE HA H 382 4.533 4.533 4.793 -0.260 17490 6745 1 11 . 1 1 92 92 ILE C C 382 173.501 173.501 173.888 -0.387 17490 6746 1 11 . 1 1 92 92 ILE CA C 382 59.249 59.249 58.991 0.258 17490 6747 1 11 . 1 1 92 92 ILE CB C 382 41.995 41.995 40.418 1.577 17490 6748 1 11 . 1 1 92 92 ILE H H 382 8.788 8.788 8.478 0.310 17490 6749 1 11 . 1 1 93 93 ARG N N 383 119.723 119.723 123.654 -3.931 17490 6750 1 11 . 1 1 93 93 ARG HA H 383 4.608 4.608 4.892 -0.284 17490 6751 1 11 . 1 1 93 93 ARG C C 383 173.979 173.979 174.143 -0.164 17490 6752 1 11 . 1 1 93 93 ARG CA C 383 53.178 53.178 54.219 -1.041 17490 6753 1 11 . 1 1 93 93 ARG CB C 383 31.724 31.724 33.199 -1.475 17490 6754 1 11 . 1 1 93 93 ARG H H 383 8.500 8.500 8.544 -0.044 17490 6755 1 11 . 1 1 94 94 SER N N 384 110.386 110.386 113.826 -3.440 17490 6756 1 11 . 1 1 94 94 SER HA H 384 5.685 5.685 5.031 0.654 17490 6757 1 11 . 1 1 94 94 SER C C 384 174.791 174.791 172.874 1.917 17490 6758 1 11 . 1 1 94 94 SER CA C 384 54.419 54.419 56.678 -2.259 17490 6759 1 11 . 1 1 94 94 SER CB C 384 67.147 67.147 64.715 2.432 17490 6760 1 11 . 1 1 94 94 SER H H 384 7.700 7.700 8.561 -0.861 17490 6761 1 11 . 1 1 95 95 GLY N N 385 106.738 106.738 108.152 -1.414 17490 6762 1 11 . 1 1 95 95 GLY C C 385 171.619 171.619 172.317 -0.698 17490 6763 1 11 . 1 1 95 95 GLY CA C 385 45.904 45.904 45.255 0.649 17490 6764 1 11 . 1 1 95 95 GLY H H 385 8.360 8.360 8.519 -0.159 17490 6765 1 11 . 1 1 96 96 THR N N 386 111.493 111.493 113.154 -1.661 17490 6766 1 11 . 1 1 96 96 THR HA H 386 4.604 4.604 4.820 -0.216 17490 6767 1 11 . 1 1 96 96 THR C C 386 175.600 175.600 175.864 -0.264 17490 6768 1 11 . 1 1 96 96 THR CA C 386 60.901 60.901 60.709 0.192 17490 6769 1 11 . 1 1 96 96 THR CB C 386 71.709 71.709 71.450 0.259 17490 6770 1 11 . 1 1 96 96 THR H H 386 9.274 9.274 7.969 1.305 17490 6771 1 11 . 1 1 97 97 ILE N N 387 121.293 121.293 117.876 3.417 17490 6772 1 11 . 1 1 97 97 ILE HA H 387 3.881 3.881 3.764 0.117 17490 6773 1 11 . 1 1 97 97 ILE C C 387 178.109 178.109 177.267 0.842 17490 6774 1 11 . 1 1 97 97 ILE CA C 387 65.826 65.826 64.407 1.419 17490 6775 1 11 . 1 1 97 97 ILE CB C 387 37.717 37.717 37.585 0.132 17490 6776 1 11 . 1 1 97 97 ILE H H 387 9.339 9.339 8.135 1.204 17490 6777 1 11 . 1 1 98 98 ASN N N 388 117.358 117.358 118.925 -1.567 17490 6778 1 11 . 1 1 98 98 ASN HA H 388 4.224 4.224 4.320 -0.096 17490 6779 1 11 . 1 1 98 98 ASN C C 388 178.040 178.040 176.817 1.223 17490 6780 1 11 . 1 1 98 98 ASN CA C 388 56.205 56.205 56.639 -0.433 17490 6781 1 11 . 1 1 98 98 ASN CB C 388 37.719 37.719 38.311 -0.592 17490 6782 1 11 . 1 1 98 98 ASN H H 388 8.162 8.162 8.223 -0.061 17490 6783 1 11 . 1 1 99 99 ASP N N 389 121.336 121.336 120.401 0.935 17490 6784 1 11 . 1 1 99 99 ASP HA H 389 4.236 4.236 4.104 0.132 17490 6785 1 11 . 1 1 99 99 ASP C C 389 177.813 177.813 177.655 0.158 17490 6786 1 11 . 1 1 99 99 ASP CA C 389 57.639 57.639 56.384 1.255 17490 6787 1 11 . 1 1 99 99 ASP CB C 389 40.497 40.497 40.503 -0.006 17490 6788 1 11 . 1 1 99 99 ASP H H 389 7.865 7.865 8.282 -0.417 17490 6789 1 11 . 1 1 100 100 MET N N 390 122.932 122.932 116.796 6.136 17490 6790 1 11 . 1 1 100 100 MET HA H 390 4.499 4.499 4.157 0.342 17490 6791 1 11 . 1 1 100 100 MET C C 390 178.081 178.081 177.924 0.157 17490 6792 1 11 . 1 1 100 100 MET CA C 390 58.402 58.402 58.833 -0.431 17490 6793 1 11 . 1 1 100 100 MET CB C 390 32.263 32.263 32.627 -0.364 17490 6794 1 11 . 1 1 100 100 MET H H 390 7.874 7.874 7.456 0.418 17490 6795 1 11 . 1 1 101 101 LYS N N 391 118.764 118.764 120.143 -1.379 17490 6796 1 11 . 1 1 101 101 LYS HA H 391 3.484 3.484 4.302 -0.818 17490 6797 1 11 . 1 1 101 101 LYS C C 391 178.102 178.102 179.456 -1.354 17490 6798 1 11 . 1 1 101 101 LYS CA C 391 60.070 60.070 59.098 0.972 17490 6799 1 11 . 1 1 101 101 LYS CB C 391 32.468 32.468 31.692 0.776 17490 6800 1 11 . 1 1 101 101 LYS H H 391 7.994 7.994 8.060 -0.067 17490 6801 1 11 . 1 1 102 102 ARG N N 392 118.974 118.974 120.165 -1.191 17490 6802 1 11 . 1 1 102 102 ARG HA H 392 3.971 3.971 4.108 -0.137 17490 6803 1 11 . 1 1 102 102 ARG C C 392 178.433 178.433 178.993 -0.560 17490 6804 1 11 . 1 1 102 102 ARG CA C 392 59.485 59.485 58.727 0.758 17490 6805 1 11 . 1 1 102 102 ARG CB C 392 30.282 30.282 29.711 0.571 17490 6806 1 11 . 1 1 102 102 ARG H H 392 8.088 8.088 7.849 0.239 17490 6807 1 11 . 1 1 103 103 TYR N N 393 119.904 119.904 119.603 0.301 17490 6808 1 11 . 1 1 103 103 TYR HA H 393 4.017 4.017 4.018 -0.001 17490 6809 1 11 . 1 1 103 103 TYR C C 393 177.819 177.819 178.446 -0.627 17490 6810 1 11 . 1 1 103 103 TYR CA C 393 61.926 61.926 59.115 2.811 17490 6811 1 11 . 1 1 103 103 TYR CB C 393 39.373 39.373 36.866 2.507 17490 6812 1 11 . 1 1 103 103 TYR H H 393 8.058 8.058 7.599 0.459 17490 6813 1 11 . 1 1 104 104 TYR N N 394 119.418 119.418 120.390 -0.972 17490 6814 1 11 . 1 1 104 104 TYR HA H 394 4.167 4.167 4.238 -0.071 17490 6815 1 11 . 1 1 104 104 TYR C C 394 177.920 177.920 177.081 0.839 17490 6816 1 11 . 1 1 104 104 TYR CA C 394 61.764 61.764 60.477 1.287 17490 6817 1 11 . 1 1 104 104 TYR CB C 394 39.162 39.162 38.264 0.897 17490 6818 1 11 . 1 1 104 104 TYR H H 394 7.846 7.846 8.735 -0.889 17490 6819 1 11 . 1 1 105 105 ASN N N 395 117.373 117.373 117.897 -0.524 17490 6820 1 11 . 1 1 105 105 ASN HA H 395 4.414 4.414 3.959 0.455 17490 6821 1 11 . 1 1 105 105 ASN C C 395 176.906 176.906 177.223 -0.317 17490 6822 1 11 . 1 1 105 105 ASN CA C 395 55.691 55.691 56.669 -0.978 17490 6823 1 11 . 1 1 105 105 ASN CB C 395 38.472 38.472 38.100 0.372 17490 6824 1 11 . 1 1 105 105 ASN H H 395 8.499 8.499 8.124 0.375 17490 6825 1 11 . 1 1 106 106 ASN N N 396 118.101 118.101 117.887 0.214 17490 6826 1 11 . 1 1 106 106 ASN HA H 396 4.531 4.531 4.505 0.026 17490 6827 1 11 . 1 1 106 106 ASN C C 396 176.450 176.450 177.554 -1.104 17490 6828 1 11 . 1 1 106 106 ASN CA C 396 54.775 54.775 55.559 -0.784 17490 6829 1 11 . 1 1 106 106 ASN CB C 396 38.543 38.543 38.495 0.048 17490 6830 1 11 . 1 1 106 106 ASN H H 396 8.081 8.081 8.100 -0.019 17490 6831 1 11 . 1 1 107 107 GLN N N 397 118.903 118.903 118.597 0.306 17490 6832 1 11 . 1 1 107 107 GLN HA H 397 3.977 3.977 4.221 -0.244 17490 6833 1 11 . 1 1 107 107 GLN C C 397 176.907 176.907 178.086 -1.179 17490 6834 1 11 . 1 1 107 107 GLN CA C 397 56.815 56.815 57.913 -1.098 17490 6835 1 11 . 1 1 107 107 GLN CB C 397 28.610 28.610 28.892 -0.282 17490 6836 1 11 . 1 1 107 107 GLN H H 397 7.772 7.772 7.867 -0.095 17490 6837 1 11 . 1 1 108 108 GLN N N 398 118.101 118.101 117.824 0.277 17490 6838 1 11 . 1 1 108 108 GLN HA H 398 3.920 3.920 4.046 -0.126 17490 6839 1 11 . 1 1 108 108 GLN C C 398 176.321 176.321 176.771 -0.450 17490 6840 1 11 . 1 1 108 108 GLN CA C 398 56.554 56.554 57.794 -1.240 17490 6841 1 11 . 1 1 108 108 GLN CB C 398 28.650 28.650 29.299 -0.649 17490 6842 1 11 . 1 1 108 108 GLN H H 398 7.854 7.854 8.006 -0.152 17490 6843 1 12 . 1 1 3 3 LEU N N 293 125.082 125.082 116.008 9.074 17490 6844 1 12 . 1 1 3 3 LEU HA H 293 4.292 4.292 4.857 -0.565 17490 6845 1 12 . 1 1 3 3 LEU C C 293 177.442 177.442 177.709 -0.267 17490 6846 1 12 . 1 1 3 3 LEU CA C 293 55.523 55.523 55.156 0.367 17490 6847 1 12 . 1 1 3 3 LEU CB C 293 42.516 42.516 41.815 0.701 17490 6848 1 12 . 1 1 3 3 LEU H H 293 8.321 8.321 8.406 -0.085 17490 6849 1 12 . 1 1 4 4 GLU N N 294 122.906 122.906 121.939 0.967 17490 6850 1 12 . 1 1 4 4 GLU HA H 294 4.069 4.069 4.065 0.004 17490 6851 1 12 . 1 1 4 4 GLU C C 294 177.158 177.158 178.512 -1.354 17490 6852 1 12 . 1 1 4 4 GLU CA C 294 58.307 58.307 59.135 -0.828 17490 6853 1 12 . 1 1 4 4 GLU CB C 294 29.676 29.676 29.164 0.512 17490 6854 1 12 . 1 1 4 4 GLU H H 294 8.521 8.521 9.115 -0.594 17490 6855 1 12 . 1 1 5 5 ARG N N 295 120.270 120.270 118.413 1.857 17490 6856 1 12 . 1 1 5 5 ARG HA H 295 4.131 4.131 4.049 0.082 17490 6857 1 12 . 1 1 5 5 ARG C C 295 177.768 177.768 178.784 -1.016 17490 6858 1 12 . 1 1 5 5 ARG CA C 295 58.082 58.082 59.590 -1.508 17490 6859 1 12 . 1 1 5 5 ARG CB C 295 30.192 30.192 29.897 0.295 17490 6860 1 12 . 1 1 5 5 ARG H H 295 8.327 8.327 8.630 -0.303 17490 6861 1 12 . 1 1 6 6 ASN N N 296 118.639 118.639 118.356 0.283 17490 6862 1 12 . 1 1 6 6 ASN HA H 296 4.554 4.554 4.569 -0.015 17490 6863 1 12 . 1 1 6 6 ASN C C 296 176.830 176.830 177.479 -0.649 17490 6864 1 12 . 1 1 6 6 ASN CA C 296 54.901 54.901 56.249 -1.348 17490 6865 1 12 . 1 1 6 6 ASN CB C 296 38.115 38.115 38.061 0.054 17490 6866 1 12 . 1 1 6 6 ASN H H 296 8.257 8.257 7.966 0.291 17490 6867 1 12 . 1 1 7 7 GLU N N 297 123.935 123.935 119.810 4.125 17490 6868 1 12 . 1 1 7 7 GLU HA H 297 4.266 4.266 4.100 0.166 17490 6869 1 12 . 1 1 7 7 GLU C C 297 178.102 178.102 178.630 -0.528 17490 6870 1 12 . 1 1 7 7 GLU CA C 297 58.897 58.897 59.516 -0.619 17490 6871 1 12 . 1 1 7 7 GLU CB C 297 29.814 29.814 29.524 0.290 17490 6872 1 12 . 1 1 7 7 GLU H H 297 8.185 8.185 7.704 0.481 17490 6873 1 12 . 1 1 8 8 VAL N N 298 118.916 118.916 120.610 -1.694 17490 6874 1 12 . 1 1 8 8 VAL HA H 298 3.399 3.399 3.664 -0.265 17490 6875 1 12 . 1 1 8 8 VAL C C 298 177.131 177.131 177.769 -0.638 17490 6876 1 12 . 1 1 8 8 VAL CA C 298 67.619 67.619 67.001 0.618 17490 6877 1 12 . 1 1 8 8 VAL CB C 298 32.041 32.041 31.177 0.864 17490 6878 1 12 . 1 1 8 8 VAL H H 298 8.095 8.095 8.745 -0.650 17490 6879 1 12 . 1 1 9 9 LYS N N 299 117.791 117.791 119.909 -2.118 17490 6880 1 12 . 1 1 9 9 LYS HA H 299 3.804 3.804 4.037 -0.233 17490 6881 1 12 . 1 1 9 9 LYS C C 299 179.259 179.259 178.704 0.555 17490 6882 1 12 . 1 1 9 9 LYS CA C 299 59.806 59.806 59.495 0.311 17490 6883 1 12 . 1 1 9 9 LYS CB C 299 32.290 32.290 32.212 0.078 17490 6884 1 12 . 1 1 9 9 LYS H H 299 7.771 7.771 7.852 -0.081 17490 6885 1 12 . 1 1 10 10 ARG N N 300 119.032 119.032 119.440 -0.408 17490 6886 1 12 . 1 1 10 10 ARG HA H 300 3.934 3.934 4.100 -0.166 17490 6887 1 12 . 1 1 10 10 ARG C C 300 179.680 179.680 179.010 0.670 17490 6888 1 12 . 1 1 10 10 ARG CA C 300 59.444 59.444 59.387 0.057 17490 6889 1 12 . 1 1 10 10 ARG CB C 300 30.190 30.190 30.179 0.011 17490 6890 1 12 . 1 1 10 10 ARG H H 300 7.834 7.834 8.119 -0.285 17490 6891 1 12 . 1 1 11 11 LEU N N 301 120.881 120.881 118.695 2.186 17490 6892 1 12 . 1 1 11 11 LEU HA H 301 3.890 3.890 4.104 -0.214 17490 6893 1 12 . 1 1 11 11 LEU C C 301 178.937 178.937 177.728 1.209 17490 6894 1 12 . 1 1 11 11 LEU CA C 301 58.067 58.067 56.764 1.303 17490 6895 1 12 . 1 1 11 11 LEU CB C 301 42.051 42.051 42.129 -0.078 17490 6896 1 12 . 1 1 11 11 LEU H H 301 8.147 8.147 8.026 0.121 17490 6897 1 12 . 1 1 12 12 LEU N N 302 116.294 116.294 118.595 -2.301 17490 6898 1 12 . 1 1 12 12 LEU HA H 302 3.874 3.874 4.172 -0.298 17490 6899 1 12 . 1 1 12 12 LEU C C 302 177.360 177.360 178.354 -0.994 17490 6900 1 12 . 1 1 12 12 LEU CA C 302 57.498 57.498 56.817 0.681 17490 6901 1 12 . 1 1 12 12 LEU CB C 302 41.506 41.506 42.175 -0.669 17490 6902 1 12 . 1 1 12 12 LEU H H 302 8.331 8.331 7.729 0.602 17490 6903 1 12 . 1 1 13 13 ALA N N 303 117.998 117.998 119.056 -1.058 17490 6904 1 12 . 1 1 13 13 ALA HA H 303 4.480 4.480 4.372 0.108 17490 6905 1 12 . 1 1 13 13 ALA C C 303 177.554 177.554 177.839 -0.285 17490 6906 1 12 . 1 1 13 13 ALA CA C 303 51.290 51.290 52.458 -1.168 17490 6907 1 12 . 1 1 13 13 ALA CB C 303 19.810 19.810 19.682 0.128 17490 6908 1 12 . 1 1 13 13 ALA H H 303 7.109 7.109 7.689 -0.580 17490 6909 1 12 . 1 1 14 14 SER N N 304 114.833 114.833 114.625 0.208 17490 6910 1 12 . 1 1 14 14 SER HA H 304 4.175 4.175 4.269 -0.094 17490 6911 1 12 . 1 1 14 14 SER C C 304 175.762 175.762 174.842 0.920 17490 6912 1 12 . 1 1 14 14 SER CA C 304 59.344 59.344 59.740 -0.396 17490 6913 1 12 . 1 1 14 14 SER CB C 304 63.704 63.704 63.713 -0.009 17490 6914 1 12 . 1 1 14 14 SER H H 304 7.265 7.265 7.769 -0.504 17490 6915 1 12 . 1 1 15 15 ARG N N 305 125.370 125.370 124.959 0.411 17490 6916 1 12 . 1 1 15 15 ARG HA H 305 4.555 4.555 4.267 0.288 17490 6917 1 12 . 1 1 15 15 ARG C C 305 175.442 175.442 176.197 -0.755 17490 6918 1 12 . 1 1 15 15 ARG CA C 305 54.847 54.847 56.589 -1.742 17490 6919 1 12 . 1 1 15 15 ARG CB C 305 30.415 30.415 30.683 -0.268 17490 6920 1 12 . 1 1 15 15 ARG H H 305 8.872 8.872 8.379 0.493 17490 6921 1 12 . 1 1 16 16 ASN N N 306 120.536 120.536 118.367 2.169 17490 6922 1 12 . 1 1 16 16 ASN HA H 306 4.774 4.774 4.639 0.135 17490 6923 1 12 . 1 1 16 16 ASN C C 306 175.146 175.146 175.668 -0.522 17490 6924 1 12 . 1 1 16 16 ASN CA C 306 52.434 52.434 53.136 -0.702 17490 6925 1 12 . 1 1 16 16 ASN CB C 306 38.294 38.294 38.253 0.041 17490 6926 1 12 . 1 1 16 16 ASN H H 306 8.367 8.367 8.034 0.333 17490 6927 1 12 . 1 1 17 17 SER N N 307 121.694 121.694 122.218 -0.524 17490 6928 1 12 . 1 1 17 17 SER HA H 307 4.090 4.090 4.344 -0.254 17490 6929 1 12 . 1 1 17 17 SER C C 307 175.970 175.970 175.351 0.619 17490 6930 1 12 . 1 1 17 17 SER CA C 307 61.484 61.484 59.975 1.509 17490 6931 1 12 . 1 1 17 17 SER CB C 307 62.850 62.850 62.961 -0.111 17490 6932 1 12 . 1 1 17 17 SER H H 307 8.656 8.656 8.657 -0.001 17490 6933 1 12 . 1 1 18 18 LYS N N 308 120.961 120.961 122.415 -1.454 17490 6934 1 12 . 1 1 18 18 LYS HA H 308 4.115 4.115 4.427 -0.312 17490 6935 1 12 . 1 1 18 18 LYS C C 308 178.999 178.999 178.100 0.899 17490 6936 1 12 . 1 1 18 18 LYS CA C 308 58.606 58.606 58.856 -0.250 17490 6937 1 12 . 1 1 18 18 LYS CB C 308 31.614 31.614 32.419 -0.805 17490 6938 1 12 . 1 1 18 18 LYS H H 308 8.060 8.060 7.855 0.205 17490 6939 1 12 . 1 1 19 19 GLU N N 309 118.377 118.377 120.176 -1.799 17490 6940 1 12 . 1 1 19 19 GLU HA H 309 4.198 4.198 4.220 -0.022 17490 6941 1 12 . 1 1 19 19 GLU C C 309 178.136 178.136 178.415 -0.279 17490 6942 1 12 . 1 1 19 19 GLU CA C 309 57.939 57.939 58.921 -0.982 17490 6943 1 12 . 1 1 19 19 GLU CB C 309 30.115 30.115 29.720 0.395 17490 6944 1 12 . 1 1 19 19 GLU H H 309 7.520 7.520 7.551 -0.031 17490 6945 1 12 . 1 1 20 20 LEU N N 310 118.101 118.101 117.311 0.790 17490 6946 1 12 . 1 1 20 20 LEU HA H 310 4.168 4.168 4.219 -0.051 17490 6947 1 12 . 1 1 20 20 LEU C C 310 179.112 179.112 178.095 1.017 17490 6948 1 12 . 1 1 20 20 LEU CA C 310 56.583 56.583 56.628 -0.045 17490 6949 1 12 . 1 1 20 20 LEU CB C 310 41.611 41.611 41.176 0.435 17490 6950 1 12 . 1 1 20 20 LEU H H 310 7.741 7.741 7.456 0.285 17490 6951 1 12 . 1 1 21 21 GLU N N 311 116.130 116.130 119.204 -3.074 17490 6952 1 12 . 1 1 21 21 GLU HA H 311 4.342 4.342 4.138 0.204 17490 6953 1 12 . 1 1 21 21 GLU C C 311 176.928 176.928 178.954 -2.026 17490 6954 1 12 . 1 1 21 21 GLU CA C 311 58.216 58.216 58.424 -0.208 17490 6955 1 12 . 1 1 21 21 GLU CB C 311 29.608 29.608 29.711 -0.103 17490 6956 1 12 . 1 1 21 21 GLU H H 311 7.747 7.747 7.874 -0.127 17490 6957 1 12 . 1 1 22 22 THR N N 312 106.131 106.131 117.344 -11.213 17490 6958 1 12 . 1 1 22 22 THR HA H 312 4.182 4.182 4.216 -0.034 17490 6959 1 12 . 1 1 22 22 THR C C 312 172.032 172.032 176.206 -4.174 17490 6960 1 12 . 1 1 22 22 THR CA C 312 61.539 61.539 65.445 -3.905 17490 6961 1 12 . 1 1 22 22 THR CB C 312 69.426 69.426 68.957 0.469 17490 6962 1 12 . 1 1 22 22 THR H H 312 7.446 7.446 7.903 -0.457 17490 6963 1 12 . 1 1 23 23 LEU N N 313 120.178 120.178 118.101 2.077 17490 6964 1 12 . 1 1 23 23 LEU HA H 313 5.869 5.869 4.880 0.990 17490 6965 1 12 . 1 1 23 23 LEU C C 313 175.604 175.604 175.171 0.433 17490 6966 1 12 . 1 1 23 23 LEU CA C 313 52.838 52.838 54.101 -1.263 17490 6967 1 12 . 1 1 23 23 LEU CB C 313 46.851 46.851 44.842 2.009 17490 6968 1 12 . 1 1 23 23 LEU H H 313 7.538 7.538 8.214 -0.676 17490 6969 1 12 . 1 1 24 24 ILE N N 314 113.990 113.990 110.607 3.383 17490 6970 1 12 . 1 1 24 24 ILE HA H 314 4.717 4.717 4.588 0.129 17490 6971 1 12 . 1 1 24 24 ILE C C 314 173.530 173.530 173.427 0.103 17490 6972 1 12 . 1 1 24 24 ILE CA C 314 59.368 59.368 59.419 -0.051 17490 6973 1 12 . 1 1 24 24 ILE CB C 314 42.319 42.319 41.202 1.117 17490 6974 1 12 . 1 1 24 24 ILE H H 314 8.904 8.904 8.343 0.561 17490 6975 1 12 . 1 1 25 25 CYS N N 315 117.755 117.755 119.848 -2.093 17490 6976 1 12 . 1 1 25 25 CYS HA H 315 5.914 5.914 5.332 0.582 17490 6977 1 12 . 1 1 25 25 CYS C C 315 174.153 174.153 173.541 0.612 17490 6978 1 12 . 1 1 25 25 CYS CA C 315 57.187 57.187 56.540 0.647 17490 6979 1 12 . 1 1 25 25 CYS CB C 315 31.754 31.754 30.302 1.452 17490 6980 1 12 . 1 1 25 25 CYS H H 315 9.021 9.021 8.950 0.071 17490 6981 1 12 . 1 1 26 26 LEU N N 316 119.952 119.952 128.417 -8.465 17490 6982 1 12 . 1 1 26 26 LEU HA H 316 5.363 5.363 4.536 0.827 17490 6983 1 12 . 1 1 26 26 LEU C C 316 176.015 176.015 175.424 0.591 17490 6984 1 12 . 1 1 26 26 LEU CA C 316 53.072 53.072 55.233 -2.161 17490 6985 1 12 . 1 1 26 26 LEU CB C 316 45.891 45.891 43.052 2.839 17490 6986 1 12 . 1 1 26 26 LEU H H 316 8.778 8.778 9.137 -0.359 17490 6987 1 12 . 1 1 27 27 PHE N N 317 116.116 116.116 124.953 -8.837 17490 6988 1 12 . 1 1 27 27 PHE HA H 317 4.158 4.158 5.355 -1.197 17490 6989 1 12 . 1 1 27 27 PHE CA C 317 55.594 55.594 54.621 0.973 17490 6990 1 12 . 1 1 27 27 PHE CB C 317 37.765 37.765 40.643 -2.878 17490 6991 1 12 . 1 1 27 27 PHE H H 317 7.827 7.827 8.933 -1.106 17490 6992 1 12 . 1 1 28 28 PRO HA H 318 5.322 5.322 4.766 0.556 17490 6993 1 12 . 1 1 28 28 PRO C C 318 175.163 175.163 175.213 -0.050 17490 6994 1 12 . 1 1 28 28 PRO CA C 318 61.657 61.657 62.451 -0.794 17490 6995 1 12 . 1 1 28 28 PRO CB C 318 34.356 34.356 32.194 2.162 17490 6996 1 12 . 1 1 29 29 LEU N N 319 120.206 120.206 120.148 0.058 17490 6997 1 12 . 1 1 29 29 LEU HA H 319 4.674 4.674 4.581 0.093 17490 6998 1 12 . 1 1 29 29 LEU C C 319 176.806 176.806 176.562 0.244 17490 6999 1 12 . 1 1 29 29 LEU CA C 319 52.817 52.817 53.972 -1.155 17490 7000 1 12 . 1 1 29 29 LEU CB C 319 45.029 45.029 40.605 4.424 17490 7001 1 12 . 1 1 29 29 LEU H H 319 8.365 8.365 7.625 0.740 17490 7002 1 12 . 1 1 30 30 SER N N 320 117.220 117.220 118.879 -1.659 17490 7003 1 12 . 1 1 30 30 SER HA H 320 4.475 4.475 4.328 0.147 17490 7004 1 12 . 1 1 30 30 SER C C 320 174.677 174.677 175.830 -1.153 17490 7005 1 12 . 1 1 30 30 SER CA C 320 57.768 57.768 59.046 -1.278 17490 7006 1 12 . 1 1 30 30 SER CB C 320 64.118 64.118 63.850 0.268 17490 7007 1 12 . 1 1 30 30 SER H H 320 8.652 8.652 7.901 0.751 17490 7008 1 12 . 1 1 31 31 ASP N N 321 121.514 121.514 119.988 1.526 17490 7009 1 12 . 1 1 31 31 ASP HA H 321 4.471 4.471 4.626 -0.155 17490 7010 1 12 . 1 1 31 31 ASP C C 321 176.811 176.811 176.429 0.382 17490 7011 1 12 . 1 1 31 31 ASP CA C 321 55.388 55.388 55.776 -0.388 17490 7012 1 12 . 1 1 31 31 ASP CB C 321 40.060 40.060 40.973 -0.913 17490 7013 1 12 . 1 1 31 31 ASP H H 321 8.587 8.587 8.667 -0.080 17490 7014 1 12 . 1 1 32 32 LYS N N 322 117.990 117.990 118.808 -0.818 17490 7015 1 12 . 1 1 32 32 LYS HA H 322 4.331 4.331 4.471 -0.140 17490 7016 1 12 . 1 1 32 32 LYS C C 322 176.804 176.804 175.479 1.325 17490 7017 1 12 . 1 1 32 32 LYS CA C 322 55.545 55.545 55.620 -0.075 17490 7018 1 12 . 1 1 32 32 LYS CB C 322 31.942 31.942 32.900 -0.958 17490 7019 1 12 . 1 1 32 32 LYS H H 322 8.053 8.053 7.939 0.114 17490 7020 1 12 . 1 1 33 33 VAL N N 323 119.570 119.570 114.404 5.166 17490 7021 1 12 . 1 1 33 33 VAL HA H 323 3.922 3.922 4.392 -0.470 17490 7022 1 12 . 1 1 33 33 VAL C C 323 173.362 173.362 175.227 -1.865 17490 7023 1 12 . 1 1 33 33 VAL CA C 323 63.294 63.294 60.336 2.958 17490 7024 1 12 . 1 1 33 33 VAL CB C 323 32.410 32.410 33.949 -1.539 17490 7025 1 12 . 1 1 33 33 VAL H H 323 7.333 7.333 7.482 -0.149 17490 7026 1 12 . 1 1 34 34 SER N N 324 118.908 118.908 115.097 3.811 17490 7027 1 12 . 1 1 34 34 SER HA H 324 5.104 5.104 4.893 0.211 17490 7028 1 12 . 1 1 34 34 SER CA C 324 55.114 55.114 55.506 -0.392 17490 7029 1 12 . 1 1 34 34 SER CB C 324 64.522 64.522 65.169 -0.647 17490 7030 1 12 . 1 1 34 34 SER H H 324 7.099 7.099 8.159 -1.060 17490 7031 1 12 . 1 1 35 35 PRO HA H 325 4.038 4.038 4.163 -0.125 17490 7032 1 12 . 1 1 35 35 PRO C C 325 178.107 178.107 178.467 -0.360 17490 7033 1 12 . 1 1 35 35 PRO CA C 325 66.275 66.275 65.442 0.833 17490 7034 1 12 . 1 1 35 35 PRO CB C 325 31.873 31.873 31.867 0.006 17490 7035 1 12 . 1 1 36 36 SER N N 326 111.480 111.480 114.918 -3.438 17490 7036 1 12 . 1 1 36 36 SER HA H 326 4.179 4.179 4.255 -0.076 17490 7037 1 12 . 1 1 36 36 SER C C 326 176.897 176.897 176.832 0.065 17490 7038 1 12 . 1 1 36 36 SER CA C 326 61.731 61.731 60.903 0.828 17490 7039 1 12 . 1 1 36 36 SER CB C 326 62.211 62.211 62.468 -0.257 17490 7040 1 12 . 1 1 36 36 SER H H 326 8.172 8.172 8.321 -0.149 17490 7041 1 12 . 1 1 37 37 LEU N N 327 123.898 123.898 121.371 2.527 17490 7042 1 12 . 1 1 37 37 LEU HA H 327 4.311 4.311 4.115 0.196 17490 7043 1 12 . 1 1 37 37 LEU C C 327 180.292 180.292 178.829 1.463 17490 7044 1 12 . 1 1 37 37 LEU CA C 327 57.921 57.921 57.559 0.362 17490 7045 1 12 . 1 1 37 37 LEU CB C 327 42.694 42.694 41.461 1.233 17490 7046 1 12 . 1 1 37 37 LEU H H 327 7.751 7.751 8.292 -0.541 17490 7047 1 12 . 1 1 38 38 ILE N N 328 119.411 119.411 120.181 -0.770 17490 7048 1 12 . 1 1 38 38 ILE HA H 328 3.627 3.627 3.871 -0.244 17490 7049 1 12 . 1 1 38 38 ILE C C 328 176.884 176.884 177.929 -1.045 17490 7050 1 12 . 1 1 38 38 ILE CA C 328 65.153 65.153 65.027 0.126 17490 7051 1 12 . 1 1 38 38 ILE CB C 328 37.446 37.446 38.209 -0.763 17490 7052 1 12 . 1 1 38 38 ILE H H 328 7.636 7.636 7.604 0.032 17490 7053 1 12 . 1 1 39 39 CYS N N 329 120.430 120.430 117.807 2.623 17490 7054 1 12 . 1 1 39 39 CYS HA H 329 3.743 3.743 3.956 -0.213 17490 7055 1 12 . 1 1 39 39 CYS C C 329 176.205 176.205 177.045 -0.840 17490 7056 1 12 . 1 1 39 39 CYS CA C 329 63.564 63.564 63.248 0.316 17490 7057 1 12 . 1 1 39 39 CYS CB C 329 26.285 26.285 27.340 -1.055 17490 7058 1 12 . 1 1 39 39 CYS H H 329 8.640 8.640 7.545 1.095 17490 7059 1 12 . 1 1 40 40 GLN N N 330 118.263 118.263 119.467 -1.204 17490 7060 1 12 . 1 1 40 40 GLN HA H 330 4.099 4.099 3.998 0.101 17490 7061 1 12 . 1 1 40 40 GLN C C 330 177.445 177.445 178.470 -1.025 17490 7062 1 12 . 1 1 40 40 GLN CA C 330 59.496 59.496 58.574 0.922 17490 7063 1 12 . 1 1 40 40 GLN CB C 330 28.469 28.469 27.993 0.476 17490 7064 1 12 . 1 1 40 40 GLN H H 330 8.213 8.213 8.104 0.109 17490 7065 1 12 . 1 1 41 41 PHE N N 331 121.411 121.411 120.496 0.915 17490 7066 1 12 . 1 1 41 41 PHE HA H 331 4.661 4.661 4.207 0.454 17490 7067 1 12 . 1 1 41 41 PHE C C 331 177.475 177.475 177.418 0.057 17490 7068 1 12 . 1 1 41 41 PHE CA C 331 60.181 60.181 60.921 -0.740 17490 7069 1 12 . 1 1 41 41 PHE CB C 331 39.561 39.561 38.872 0.689 17490 7070 1 12 . 1 1 41 41 PHE H H 331 7.806 7.806 8.111 -0.305 17490 7071 1 12 . 1 1 42 42 LEU N N 332 119.016 119.016 119.657 -0.641 17490 7072 1 12 . 1 1 42 42 LEU HA H 332 3.508 3.508 3.429 0.079 17490 7073 1 12 . 1 1 42 42 LEU C C 332 178.495 178.495 179.047 -0.552 17490 7074 1 12 . 1 1 42 42 LEU CA C 332 57.545 57.545 57.726 -0.181 17490 7075 1 12 . 1 1 42 42 LEU CB C 332 40.880 40.880 41.498 -0.618 17490 7076 1 12 . 1 1 42 42 LEU H H 332 8.436 8.436 7.764 0.672 17490 7077 1 12 . 1 1 43 43 GLN N N 333 116.210 116.210 116.913 -0.703 17490 7078 1 12 . 1 1 43 43 GLN HA H 333 4.590 4.590 4.103 0.487 17490 7079 1 12 . 1 1 43 43 GLN C C 333 178.499 178.499 178.892 -0.393 17490 7080 1 12 . 1 1 43 43 GLN CA C 333 58.875 58.875 58.587 0.288 17490 7081 1 12 . 1 1 43 43 GLN CB C 333 30.846 30.846 28.396 2.450 17490 7082 1 12 . 1 1 43 43 GLN H H 333 8.236 8.236 8.447 -0.211 17490 7083 1 12 . 1 1 44 44 GLU N N 334 117.050 117.050 119.953 -2.903 17490 7084 1 12 . 1 1 44 44 GLU HA H 334 4.116 4.116 4.163 -0.047 17490 7085 1 12 . 1 1 44 44 GLU C C 334 177.407 177.407 178.157 -0.750 17490 7086 1 12 . 1 1 44 44 GLU CA C 334 58.756 58.756 59.068 -0.312 17490 7087 1 12 . 1 1 44 44 GLU CB C 334 30.518 30.518 29.691 0.827 17490 7088 1 12 . 1 1 44 44 GLU H H 334 8.926 8.926 8.358 0.568 17490 7089 1 12 . 1 1 45 45 GLU N N 335 114.950 114.950 117.149 -2.199 17490 7090 1 12 . 1 1 45 45 GLU HA H 335 4.354 4.354 4.288 0.066 17490 7091 1 12 . 1 1 45 45 GLU C C 335 176.873 176.873 178.434 -1.561 17490 7092 1 12 . 1 1 45 45 GLU CA C 335 57.018 57.018 57.017 0.001 17490 7093 1 12 . 1 1 45 45 GLU CB C 335 29.537 29.537 30.841 -1.304 17490 7094 1 12 . 1 1 45 45 GLU H H 335 8.054 8.054 7.856 0.198 17490 7095 1 12 . 1 1 46 46 ILE N N 336 115.649 115.649 117.140 -1.491 17490 7096 1 12 . 1 1 46 46 ILE HA H 336 3.895 3.895 4.086 -0.191 17490 7097 1 12 . 1 1 46 46 ILE C C 336 175.873 175.873 175.914 -0.041 17490 7098 1 12 . 1 1 46 46 ILE CA C 336 58.097 58.097 60.178 -2.081 17490 7099 1 12 . 1 1 46 46 ILE CB C 336 35.077 35.077 36.971 -1.894 17490 7100 1 12 . 1 1 46 46 ILE H H 336 6.749 6.749 7.389 -0.640 17490 7101 1 12 . 1 1 47 47 HIS N N 337 111.685 111.685 116.315 -4.630 17490 7102 1 12 . 1 1 47 47 HIS HA H 337 4.520 4.520 4.362 0.158 17490 7103 1 12 . 1 1 47 47 HIS C C 337 174.787 174.787 174.005 0.782 17490 7104 1 12 . 1 1 47 47 HIS CA C 337 56.387 56.387 56.911 -0.524 17490 7105 1 12 . 1 1 47 47 HIS CB C 337 24.947 24.947 27.625 -2.679 17490 7106 1 12 . 1 1 47 47 HIS H H 337 6.652 6.652 7.704 -1.052 17490 7107 1 12 . 1 1 48 48 ILE N N 338 118.069 118.069 119.565 -1.496 17490 7108 1 12 . 1 1 48 48 ILE HA H 338 4.433 4.433 3.854 0.579 17490 7109 1 12 . 1 1 48 48 ILE C C 338 175.031 175.031 175.260 -0.229 17490 7110 1 12 . 1 1 48 48 ILE CA C 338 60.737 60.737 62.885 -2.148 17490 7111 1 12 . 1 1 48 48 ILE CB C 338 38.861 38.861 38.008 0.853 17490 7112 1 12 . 1 1 48 48 ILE H H 338 7.963 7.963 7.271 0.692 17490 7113 1 12 . 1 1 49 49 ASN N N 339 123.991 123.991 122.585 1.406 17490 7114 1 12 . 1 1 49 49 ASN HA H 339 4.691 4.691 4.890 -0.199 17490 7115 1 12 . 1 1 49 49 ASN C C 339 176.381 176.381 175.028 1.353 17490 7116 1 12 . 1 1 49 49 ASN CA C 339 53.296 53.296 51.773 1.523 17490 7117 1 12 . 1 1 49 49 ASN CB C 339 40.570 40.570 41.360 -0.790 17490 7118 1 12 . 1 1 49 49 ASN H H 339 9.222 9.222 8.192 1.030 17490 7119 1 12 . 1 1 50 50 GLU N N 340 125.549 125.549 121.228 4.321 17490 7120 1 12 . 1 1 50 50 GLU HA H 340 3.792 3.792 3.940 -0.148 17490 7121 1 12 . 1 1 50 50 GLU C C 340 177.988 177.988 176.649 1.339 17490 7122 1 12 . 1 1 50 50 GLU CA C 340 59.807 59.807 59.191 0.616 17490 7123 1 12 . 1 1 50 50 GLU CB C 340 29.143 29.143 29.302 -0.159 17490 7124 1 12 . 1 1 50 50 GLU H H 340 8.971 8.971 8.890 0.081 17490 7125 1 12 . 1 1 51 51 LYS N N 341 116.019 116.019 114.114 1.905 17490 7126 1 12 . 1 1 51 51 LYS HA H 341 4.117 4.117 4.312 -0.195 17490 7127 1 12 . 1 1 51 51 LYS C C 341 177.283 177.283 175.682 1.601 17490 7128 1 12 . 1 1 51 51 LYS CA C 341 57.718 57.718 55.963 1.755 17490 7129 1 12 . 1 1 51 51 LYS CB C 341 31.650 31.650 31.531 0.119 17490 7130 1 12 . 1 1 51 51 LYS H H 341 8.424 8.424 7.869 0.555 17490 7131 1 12 . 1 1 52 52 ASP N N 342 117.576 117.576 118.083 -0.507 17490 7132 1 12 . 1 1 52 52 ASP HA H 342 4.444 4.444 4.807 -0.363 17490 7133 1 12 . 1 1 52 52 ASP C C 342 175.454 175.454 174.688 0.766 17490 7134 1 12 . 1 1 52 52 ASP CA C 342 56.002 56.002 55.402 0.600 17490 7135 1 12 . 1 1 52 52 ASP CB C 342 41.937 41.937 44.204 -2.267 17490 7136 1 12 . 1 1 52 52 ASP H H 342 7.908 7.908 7.672 0.236 17490 7137 1 12 . 1 1 53 53 ILE N N 343 120.515 120.515 119.412 1.103 17490 7138 1 12 . 1 1 53 53 ILE HA H 343 3.875 3.875 4.404 -0.529 17490 7139 1 12 . 1 1 53 53 ILE C C 343 174.966 174.966 174.928 0.038 17490 7140 1 12 . 1 1 53 53 ILE CA C 343 61.101 61.101 60.182 0.919 17490 7141 1 12 . 1 1 53 53 ILE CB C 343 39.931 39.931 39.901 0.030 17490 7142 1 12 . 1 1 53 53 ILE H H 343 7.480 7.480 7.685 -0.205 17490 7143 1 12 . 1 1 54 54 ARG N N 344 125.353 125.353 124.979 0.374 17490 7144 1 12 . 1 1 54 54 ARG HA H 344 4.291 4.291 4.350 -0.059 17490 7145 1 12 . 1 1 54 54 ARG C C 344 176.642 176.642 176.115 0.527 17490 7146 1 12 . 1 1 54 54 ARG CA C 344 57.550 57.550 56.798 0.752 17490 7147 1 12 . 1 1 54 54 ARG CB C 344 30.848 30.848 31.611 -0.763 17490 7148 1 12 . 1 1 54 54 ARG H H 344 9.063 9.063 8.413 0.650 17490 7149 1 12 . 1 1 55 55 LYS N N 345 116.212 116.212 117.652 -1.440 17490 7150 1 12 . 1 1 55 55 LYS HA H 345 4.417 4.417 4.305 0.112 17490 7151 1 12 . 1 1 55 55 LYS C C 345 173.004 173.004 173.794 -0.790 17490 7152 1 12 . 1 1 55 55 LYS CA C 345 55.873 55.873 56.249 -0.376 17490 7153 1 12 . 1 1 55 55 LYS CB C 345 36.582 36.582 35.154 1.428 17490 7154 1 12 . 1 1 55 55 LYS H H 345 7.569 7.569 7.616 -0.047 17490 7155 1 12 . 1 1 56 56 ILE N N 346 122.685 122.685 125.066 -2.381 17490 7156 1 12 . 1 1 56 56 ILE HA H 346 4.731 4.731 5.337 -0.606 17490 7157 1 12 . 1 1 56 56 ILE C C 346 174.163 174.163 173.665 0.498 17490 7158 1 12 . 1 1 56 56 ILE CA C 346 60.843 60.843 59.679 1.164 17490 7159 1 12 . 1 1 56 56 ILE CB C 346 40.816 40.816 39.919 0.897 17490 7160 1 12 . 1 1 56 56 ILE H H 346 8.229 8.229 8.173 0.056 17490 7161 1 12 . 1 1 57 57 LEU N N 347 126.095 126.095 127.620 -1.525 17490 7162 1 12 . 1 1 57 57 LEU HA H 347 4.775 4.775 4.802 -0.027 17490 7163 1 12 . 1 1 57 57 LEU C C 347 175.764 175.764 174.545 1.219 17490 7164 1 12 . 1 1 57 57 LEU CA C 347 52.746 52.746 53.558 -0.812 17490 7165 1 12 . 1 1 57 57 LEU CB C 347 45.364 45.364 45.609 -0.245 17490 7166 1 12 . 1 1 57 57 LEU H H 347 9.279 9.279 8.525 0.754 17490 7167 1 12 . 1 1 58 58 LEU N N 348 122.946 122.946 123.088 -0.142 17490 7168 1 12 . 1 1 58 58 LEU HA H 348 4.338 4.338 4.485 -0.147 17490 7169 1 12 . 1 1 58 58 LEU C C 348 176.476 176.476 176.276 0.200 17490 7170 1 12 . 1 1 58 58 LEU CA C 348 55.221 55.221 55.092 0.129 17490 7171 1 12 . 1 1 58 58 LEU CB C 348 41.496 41.496 42.775 -1.279 17490 7172 1 12 . 1 1 58 58 LEU H H 348 8.925 8.925 8.454 0.471 17490 7173 1 12 . 1 1 59 59 VAL N N 349 123.378 123.378 128.344 -4.966 17490 7174 1 12 . 1 1 59 59 VAL HA H 349 4.385 4.385 4.406 -0.021 17490 7175 1 12 . 1 1 59 59 VAL C C 349 176.335 176.335 175.579 0.756 17490 7176 1 12 . 1 1 59 59 VAL CA C 349 59.595 59.595 62.199 -2.604 17490 7177 1 12 . 1 1 59 59 VAL CB C 349 31.100 31.100 31.091 0.009 17490 7178 1 12 . 1 1 59 59 VAL H H 349 8.637 8.637 8.957 -0.320 17490 7179 1 12 . 1 1 60 60 SER N N 350 124.152 124.152 120.486 3.666 17490 7180 1 12 . 1 1 60 60 SER HA H 350 3.907 3.907 4.495 -0.588 17490 7181 1 12 . 1 1 60 60 SER C C 350 177.518 177.518 174.121 3.397 17490 7182 1 12 . 1 1 60 60 SER CA C 350 62.261 62.261 58.909 3.352 17490 7183 1 12 . 1 1 60 60 SER CB C 350 62.301 62.301 63.160 -0.859 17490 7184 1 12 . 1 1 60 60 SER H H 350 8.755 8.755 8.306 0.449 17490 7185 1 12 . 1 1 61 61 ASP N N 351 119.224 119.224 121.082 -1.858 17490 7186 1 12 . 1 1 61 61 ASP HA H 351 3.964 3.964 4.313 -0.349 17490 7187 1 12 . 1 1 61 61 ASP C C 351 174.721 174.721 174.304 0.417 17490 7188 1 12 . 1 1 61 61 ASP CA C 351 56.162 56.162 53.756 2.406 17490 7189 1 12 . 1 1 61 61 ASP CB C 351 40.102 40.102 39.989 0.113 17490 7190 1 12 . 1 1 61 61 ASP H H 351 9.011 9.011 8.354 0.657 17490 7191 1 12 . 1 1 62 62 PHE N N 352 110.179 110.179 113.932 -3.753 17490 7192 1 12 . 1 1 62 62 PHE HA H 352 3.983 3.983 3.032 0.951 17490 7193 1 12 . 1 1 62 62 PHE C C 352 173.268 173.268 173.569 -0.301 17490 7194 1 12 . 1 1 62 62 PHE CA C 352 56.221 56.221 56.783 -0.562 17490 7195 1 12 . 1 1 62 62 PHE CB C 352 39.789 39.789 39.741 0.048 17490 7196 1 12 . 1 1 62 62 PHE H H 352 6.702 6.702 7.061 -0.359 17490 7197 1 12 . 1 1 63 63 ASN N N 353 114.980 114.980 117.565 -2.585 17490 7198 1 12 . 1 1 63 63 ASN HA H 353 4.665 4.665 4.523 0.142 17490 7199 1 12 . 1 1 63 63 ASN C C 353 174.360 174.360 173.378 0.982 17490 7200 1 12 . 1 1 63 63 ASN CA C 353 54.158 54.158 53.556 0.602 17490 7201 1 12 . 1 1 63 63 ASN CB C 353 37.889 37.889 37.077 0.812 17490 7202 1 12 . 1 1 63 63 ASN H H 353 7.708 7.708 8.194 -0.486 17490 7203 1 12 . 1 1 64 64 GLY N N 354 102.117 102.117 105.271 -3.154 17490 7204 1 12 . 1 1 64 64 GLY C C 354 173.093 173.093 171.530 1.563 17490 7205 1 12 . 1 1 64 64 GLY CA C 354 45.413 45.413 44.330 1.083 17490 7206 1 12 . 1 1 64 64 GLY H H 354 7.722 7.722 8.304 -0.582 17490 7207 1 12 . 1 1 65 65 ALA N N 355 120.262 120.262 121.459 -1.197 17490 7208 1 12 . 1 1 65 65 ALA HA H 355 5.055 5.055 5.290 -0.235 17490 7209 1 12 . 1 1 65 65 ALA C C 355 174.731 174.731 175.679 -0.948 17490 7210 1 12 . 1 1 65 65 ALA CA C 355 51.429 51.429 50.729 0.700 17490 7211 1 12 . 1 1 65 65 ALA CB C 355 22.924 22.924 21.798 1.126 17490 7212 1 12 . 1 1 65 65 ALA H H 355 8.785 8.785 8.522 0.263 17490 7213 1 12 . 1 1 66 66 ILE N N 356 121.244 121.244 126.242 -4.998 17490 7214 1 12 . 1 1 66 66 ILE HA H 356 4.711 4.711 4.588 0.123 17490 7215 1 12 . 1 1 66 66 ILE C C 356 174.154 174.154 174.773 -0.619 17490 7216 1 12 . 1 1 66 66 ILE CA C 356 60.570 60.570 61.814 -1.244 17490 7217 1 12 . 1 1 66 66 ILE CB C 356 41.943 41.943 39.068 2.875 17490 7218 1 12 . 1 1 66 66 ILE H H 356 9.390 9.390 8.270 1.120 17490 7219 1 12 . 1 1 67 67 ILE N N 357 127.255 127.255 127.829 -0.574 17490 7220 1 12 . 1 1 67 67 ILE HA H 357 4.433 4.433 5.138 -0.705 17490 7221 1 12 . 1 1 67 67 ILE C C 357 174.004 174.004 174.884 -0.880 17490 7222 1 12 . 1 1 67 67 ILE CA C 357 59.826 59.826 60.148 -0.322 17490 7223 1 12 . 1 1 67 67 ILE CB C 357 38.965 38.965 42.788 -3.823 17490 7224 1 12 . 1 1 67 67 ILE H H 357 9.291 9.291 8.933 0.358 17490 7225 1 12 . 1 1 68 68 ILE N N 358 124.623 124.623 126.691 -2.068 17490 7226 1 12 . 1 1 68 68 ILE HA H 358 4.293 4.293 4.488 -0.195 17490 7227 1 12 . 1 1 68 68 ILE C C 358 176.052 176.052 175.920 0.132 17490 7228 1 12 . 1 1 68 68 ILE CA C 358 61.079 61.079 60.767 0.312 17490 7229 1 12 . 1 1 68 68 ILE CB C 358 38.373 38.373 38.463 -0.090 17490 7230 1 12 . 1 1 68 68 ILE H H 358 8.681 8.681 8.343 0.338 17490 7231 1 12 . 1 1 69 69 PHE N N 359 126.100 126.100 129.746 -3.646 17490 7232 1 12 . 1 1 69 69 PHE HA H 359 5.130 5.130 4.842 0.288 17490 7233 1 12 . 1 1 69 69 PHE C C 359 175.355 175.355 176.371 -1.016 17490 7234 1 12 . 1 1 69 69 PHE CA C 359 58.156 58.156 58.021 0.135 17490 7235 1 12 . 1 1 69 69 PHE CB C 359 41.592 41.592 36.815 4.777 17490 7236 1 12 . 1 1 69 69 PHE H H 359 9.086 9.086 9.510 -0.424 17490 7237 1 12 . 1 1 70 70 ARG N N 360 115.935 115.935 115.069 0.866 17490 7238 1 12 . 1 1 70 70 ARG HA H 360 4.068 4.068 3.866 0.202 17490 7239 1 12 . 1 1 70 70 ARG C C 360 175.099 175.099 174.910 0.189 17490 7240 1 12 . 1 1 70 70 ARG CA C 360 58.594 58.594 59.334 -0.740 17490 7241 1 12 . 1 1 70 70 ARG CB C 360 30.664 30.664 28.955 1.709 17490 7242 1 12 . 1 1 70 70 ARG H H 360 8.268 8.268 8.679 -0.411 17490 7243 1 12 . 1 1 71 71 ASP N N 361 113.892 113.892 117.522 -3.630 17490 7244 1 12 . 1 1 71 71 ASP HA H 361 4.880 4.880 4.947 -0.067 17490 7245 1 12 . 1 1 71 71 ASP C C 361 176.087 176.087 176.601 -0.514 17490 7246 1 12 . 1 1 71 71 ASP CA C 361 53.329 53.329 52.268 1.061 17490 7247 1 12 . 1 1 71 71 ASP CB C 361 44.131 44.131 43.521 0.610 17490 7248 1 12 . 1 1 71 71 ASP H H 361 7.673 7.673 7.983 -0.310 17490 7249 1 12 . 1 1 72 72 SER N N 362 118.590 118.590 119.513 -0.923 17490 7250 1 12 . 1 1 72 72 SER HA H 362 4.310 4.310 4.438 -0.128 17490 7251 1 12 . 1 1 72 72 SER C C 362 176.600 176.600 176.346 0.254 17490 7252 1 12 . 1 1 72 72 SER CA C 362 60.739 60.739 61.286 -0.547 17490 7253 1 12 . 1 1 72 72 SER CB C 362 62.872 62.872 63.459 -0.587 17490 7254 1 12 . 1 1 72 72 SER H H 362 9.103 9.103 8.826 0.277 17490 7255 1 12 . 1 1 73 73 LYS N N 363 125.872 125.872 121.972 3.900 17490 7256 1 12 . 1 1 73 73 LYS HA H 363 4.134 4.134 4.034 0.100 17490 7257 1 12 . 1 1 73 73 LYS C C 363 179.386 179.386 178.652 0.734 17490 7258 1 12 . 1 1 73 73 LYS CA C 363 59.283 59.283 59.313 -0.030 17490 7259 1 12 . 1 1 73 73 LYS CB C 363 31.491 31.491 32.276 -0.785 17490 7260 1 12 . 1 1 73 73 LYS H H 363 8.332 8.332 8.035 0.297 17490 7261 1 12 . 1 1 74 74 PHE N N 364 123.145 123.145 119.415 3.730 17490 7262 1 12 . 1 1 74 74 PHE HA H 364 3.968 3.968 4.271 -0.303 17490 7263 1 12 . 1 1 74 74 PHE C C 364 177.819 177.819 176.749 1.070 17490 7264 1 12 . 1 1 74 74 PHE CA C 364 61.588 61.588 59.956 1.632 17490 7265 1 12 . 1 1 74 74 PHE CB C 364 39.963 39.963 39.001 0.963 17490 7266 1 12 . 1 1 74 74 PHE H H 364 8.482 8.482 7.763 0.719 17490 7267 1 12 . 1 1 75 75 ALA N N 365 119.451 119.451 122.806 -3.355 17490 7268 1 12 . 1 1 75 75 ALA HA H 365 3.396 3.396 3.768 -0.372 17490 7269 1 12 . 1 1 75 75 ALA C C 365 178.100 178.100 179.212 -1.112 17490 7270 1 12 . 1 1 75 75 ALA CA C 365 55.584 55.584 55.267 0.318 17490 7271 1 12 . 1 1 75 75 ALA CB C 365 18.265 18.265 17.895 0.370 17490 7272 1 12 . 1 1 75 75 ALA H H 365 7.835 7.835 8.328 -0.493 17490 7273 1 12 . 1 1 76 76 ALA N N 366 117.626 117.626 120.192 -2.566 17490 7274 1 12 . 1 1 76 76 ALA HA H 366 4.033 4.033 4.017 0.016 17490 7275 1 12 . 1 1 76 76 ALA C C 366 180.569 180.569 179.303 1.266 17490 7276 1 12 . 1 1 76 76 ALA CA C 366 54.996 54.996 54.838 0.158 17490 7277 1 12 . 1 1 76 76 ALA CB C 366 18.040 18.040 18.209 -0.169 17490 7278 1 12 . 1 1 76 76 ALA H H 366 7.680 7.680 7.874 -0.194 17490 7279 1 12 . 1 1 77 77 LYS N N 367 118.273 118.273 119.761 -1.488 17490 7280 1 12 . 1 1 77 77 LYS HA H 367 3.998 3.998 3.983 0.015 17490 7281 1 12 . 1 1 77 77 LYS C C 367 178.964 178.964 178.473 0.491 17490 7282 1 12 . 1 1 77 77 LYS CA C 367 58.803 58.803 59.049 -0.246 17490 7283 1 12 . 1 1 77 77 LYS CB C 367 32.106 32.106 32.447 -0.341 17490 7284 1 12 . 1 1 77 77 LYS H H 367 7.302 7.302 7.757 -0.455 17490 7285 1 12 . 1 1 78 78 MET N N 368 117.578 117.578 118.963 -1.385 17490 7286 1 12 . 1 1 78 78 MET HA H 368 4.273 4.273 4.014 0.259 17490 7287 1 12 . 1 1 78 78 MET C C 368 178.167 178.167 177.863 0.304 17490 7288 1 12 . 1 1 78 78 MET CA C 368 55.734 55.734 56.188 -0.454 17490 7289 1 12 . 1 1 78 78 MET CB C 368 32.382 32.382 31.429 0.953 17490 7290 1 12 . 1 1 78 78 MET H H 368 7.785 7.785 7.858 -0.073 17490 7291 1 12 . 1 1 79 79 LEU N N 369 120.984 120.984 122.483 -1.499 17490 7292 1 12 . 1 1 79 79 LEU HA H 369 3.786 3.786 3.848 -0.062 17490 7293 1 12 . 1 1 79 79 LEU C C 369 179.060 179.060 178.458 0.602 17490 7294 1 12 . 1 1 79 79 LEU CA C 369 59.377 59.377 58.451 0.926 17490 7295 1 12 . 1 1 79 79 LEU CB C 369 42.354 42.354 41.407 0.947 17490 7296 1 12 . 1 1 79 79 LEU H H 369 8.197 8.197 7.838 0.359 17490 7297 1 12 . 1 1 80 80 MET N N 370 114.071 114.071 115.471 -1.400 17490 7298 1 12 . 1 1 80 80 MET HA H 370 4.277 4.277 4.183 0.094 17490 7299 1 12 . 1 1 80 80 MET C C 370 178.184 178.184 178.037 0.147 17490 7300 1 12 . 1 1 80 80 MET CA C 370 57.627 57.627 57.429 0.198 17490 7301 1 12 . 1 1 80 80 MET CB C 370 32.543 32.543 31.802 0.741 17490 7302 1 12 . 1 1 80 80 MET H H 370 7.018 7.018 7.899 -0.881 17490 7303 1 12 . 1 1 81 81 ILE N N 371 118.056 118.056 116.383 1.673 17490 7304 1 12 . 1 1 81 81 ILE HA H 371 3.885 3.885 3.991 -0.106 17490 7305 1 12 . 1 1 81 81 ILE C C 371 177.491 177.491 177.599 -0.108 17490 7306 1 12 . 1 1 81 81 ILE CA C 371 63.571 63.571 61.282 2.289 17490 7307 1 12 . 1 1 81 81 ILE CB C 371 38.716 38.716 37.655 1.061 17490 7308 1 12 . 1 1 81 81 ILE H H 371 7.615 7.615 7.481 0.134 17490 7309 1 12 . 1 1 82 82 LEU N N 372 116.858 116.858 120.265 -3.407 17490 7310 1 12 . 1 1 82 82 LEU HA H 372 4.100 4.100 4.168 -0.068 17490 7311 1 12 . 1 1 82 82 LEU C C 372 178.360 178.360 177.042 1.318 17490 7312 1 12 . 1 1 82 82 LEU CA C 372 55.929 55.929 57.017 -1.088 17490 7313 1 12 . 1 1 82 82 LEU CB C 372 42.309 42.309 42.879 -0.570 17490 7314 1 12 . 1 1 82 82 LEU H H 372 8.160 8.160 7.995 0.165 17490 7315 1 12 . 1 1 83 83 ASN N N 373 117.015 117.015 115.578 1.437 17490 7316 1 12 . 1 1 83 83 ASN HA H 373 4.348 4.348 4.772 -0.424 17490 7317 1 12 . 1 1 83 83 ASN C C 373 175.671 175.671 176.856 -1.185 17490 7318 1 12 . 1 1 83 83 ASN CA C 373 55.793 55.793 55.577 0.216 17490 7319 1 12 . 1 1 83 83 ASN CB C 373 38.434 38.434 38.893 -0.459 17490 7320 1 12 . 1 1 83 83 ASN H H 373 7.058 7.058 7.965 -0.907 17490 7321 1 12 . 1 1 84 84 GLY N N 374 116.878 116.878 107.021 9.857 17490 7322 1 12 . 1 1 84 84 GLY C C 374 174.602 174.602 174.395 0.207 17490 7323 1 12 . 1 1 84 84 GLY CA C 374 45.842 45.842 46.290 -0.448 17490 7324 1 12 . 1 1 84 84 GLY H H 374 9.053 9.053 8.137 0.916 17490 7325 1 12 . 1 1 85 85 SER N N 375 116.615 116.615 114.749 1.866 17490 7326 1 12 . 1 1 85 85 SER HA H 375 4.407 4.407 4.464 -0.057 17490 7327 1 12 . 1 1 85 85 SER C C 375 171.580 171.580 173.602 -2.022 17490 7328 1 12 . 1 1 85 85 SER CA C 375 59.280 59.280 57.763 1.517 17490 7329 1 12 . 1 1 85 85 SER CB C 375 64.303 64.303 64.827 -0.524 17490 7330 1 12 . 1 1 85 85 SER H H 375 7.666 7.666 7.945 -0.279 17490 7331 1 12 . 1 1 86 86 GLN N N 376 117.824 117.824 119.992 -2.168 17490 7332 1 12 . 1 1 86 86 GLN HA H 376 4.893 4.893 5.202 -0.309 17490 7333 1 12 . 1 1 86 86 GLN C C 376 175.033 175.033 175.041 -0.008 17490 7334 1 12 . 1 1 86 86 GLN CA C 376 54.885 54.885 55.347 -0.462 17490 7335 1 12 . 1 1 86 86 GLN CB C 376 30.733 30.733 29.953 0.780 17490 7336 1 12 . 1 1 86 86 GLN H H 376 8.381 8.381 8.665 -0.284 17490 7337 1 12 . 1 1 87 87 PHE N N 377 124.095 124.095 123.549 0.546 17490 7338 1 12 . 1 1 87 87 PHE HA H 377 4.472 4.472 4.763 -0.291 17490 7339 1 12 . 1 1 87 87 PHE C C 377 174.760 174.760 174.634 0.126 17490 7340 1 12 . 1 1 87 87 PHE CA C 377 56.009 56.009 57.593 -1.584 17490 7341 1 12 . 1 1 87 87 PHE CB C 377 41.519 41.519 42.826 -1.307 17490 7342 1 12 . 1 1 87 87 PHE H H 377 8.974 8.974 9.065 -0.091 17490 7343 1 12 . 1 1 88 88 GLN N N 378 126.108 126.108 121.963 4.145 17490 7344 1 12 . 1 1 88 88 GLN HA H 378 3.505 3.505 3.583 -0.078 17490 7345 1 12 . 1 1 88 88 GLN C C 378 176.162 176.162 176.009 0.153 17490 7346 1 12 . 1 1 88 88 GLN CA C 378 56.570 56.570 56.226 0.344 17490 7347 1 12 . 1 1 88 88 GLN CB C 378 26.070 26.070 27.295 -1.225 17490 7348 1 12 . 1 1 88 88 GLN H H 378 9.139 9.139 8.561 0.578 17490 7349 1 12 . 1 1 89 89 GLY N N 379 103.132 103.132 102.507 0.625 17490 7350 1 12 . 1 1 89 89 GLY C C 379 173.587 173.587 173.839 -0.252 17490 7351 1 12 . 1 1 89 89 GLY CA C 379 45.382 45.382 45.320 0.062 17490 7352 1 12 . 1 1 89 89 GLY H H 379 8.580 8.580 8.323 0.257 17490 7353 1 12 . 1 1 90 90 LYS N N 380 119.783 119.783 119.548 0.235 17490 7354 1 12 . 1 1 90 90 LYS HA H 380 4.697 4.697 4.733 -0.036 17490 7355 1 12 . 1 1 90 90 LYS C C 380 174.500 174.500 174.995 -0.495 17490 7356 1 12 . 1 1 90 90 LYS CA C 380 54.019 54.019 54.002 0.017 17490 7357 1 12 . 1 1 90 90 LYS CB C 380 35.919 35.919 35.520 0.399 17490 7358 1 12 . 1 1 90 90 LYS H H 380 7.457 7.457 7.660 -0.203 17490 7359 1 12 . 1 1 91 91 VAL N N 381 121.517 121.517 120.149 1.368 17490 7360 1 12 . 1 1 91 91 VAL HA H 381 4.294 4.294 4.976 -0.682 17490 7361 1 12 . 1 1 91 91 VAL C C 381 176.729 176.729 175.979 0.750 17490 7362 1 12 . 1 1 91 91 VAL CA C 381 63.176 63.176 60.817 2.359 17490 7363 1 12 . 1 1 91 91 VAL CB C 381 32.073 32.073 33.259 -1.186 17490 7364 1 12 . 1 1 91 91 VAL H H 381 8.256 8.256 8.312 -0.056 17490 7365 1 12 . 1 1 92 92 ILE N N 382 124.746 124.746 122.917 1.829 17490 7366 1 12 . 1 1 92 92 ILE HA H 382 4.533 4.533 4.641 -0.108 17490 7367 1 12 . 1 1 92 92 ILE C C 382 173.501 173.501 174.010 -0.509 17490 7368 1 12 . 1 1 92 92 ILE CA C 382 59.249 59.249 59.374 -0.125 17490 7369 1 12 . 1 1 92 92 ILE CB C 382 41.995 41.995 40.347 1.648 17490 7370 1 12 . 1 1 92 92 ILE H H 382 8.788 8.788 8.994 -0.206 17490 7371 1 12 . 1 1 93 93 ARG N N 383 119.723 119.723 123.669 -3.946 17490 7372 1 12 . 1 1 93 93 ARG HA H 383 4.608 4.608 4.923 -0.315 17490 7373 1 12 . 1 1 93 93 ARG C C 383 173.979 173.979 174.866 -0.887 17490 7374 1 12 . 1 1 93 93 ARG CA C 383 53.178 53.178 53.557 -0.379 17490 7375 1 12 . 1 1 93 93 ARG CB C 383 31.724 31.724 34.945 -3.221 17490 7376 1 12 . 1 1 93 93 ARG H H 383 8.500 8.500 8.463 0.037 17490 7377 1 12 . 1 1 94 94 SER N N 384 110.386 110.386 113.475 -3.089 17490 7378 1 12 . 1 1 94 94 SER HA H 384 5.685 5.685 5.008 0.677 17490 7379 1 12 . 1 1 94 94 SER C C 384 174.791 174.791 173.066 1.725 17490 7380 1 12 . 1 1 94 94 SER CA C 384 54.419 54.419 57.108 -2.689 17490 7381 1 12 . 1 1 94 94 SER CB C 384 67.147 67.147 66.073 1.074 17490 7382 1 12 . 1 1 94 94 SER H H 384 7.700 7.700 8.658 -0.958 17490 7383 1 12 . 1 1 95 95 GLY N N 385 106.738 106.738 106.547 0.191 17490 7384 1 12 . 1 1 95 95 GLY C C 385 171.619 171.619 172.348 -0.729 17490 7385 1 12 . 1 1 95 95 GLY CA C 385 45.904 45.904 45.659 0.245 17490 7386 1 12 . 1 1 95 95 GLY H H 385 8.360 8.360 8.674 -0.314 17490 7387 1 12 . 1 1 96 96 THR N N 386 111.493 111.493 113.617 -2.124 17490 7388 1 12 . 1 1 96 96 THR HA H 386 4.604 4.604 4.654 -0.050 17490 7389 1 12 . 1 1 96 96 THR C C 386 175.600 175.600 175.554 0.046 17490 7390 1 12 . 1 1 96 96 THR CA C 386 60.901 60.901 61.900 -0.999 17490 7391 1 12 . 1 1 96 96 THR CB C 386 71.709 71.709 70.595 1.114 17490 7392 1 12 . 1 1 96 96 THR H H 386 9.274 9.274 8.227 1.047 17490 7393 1 12 . 1 1 97 97 ILE N N 387 121.293 121.293 120.788 0.505 17490 7394 1 12 . 1 1 97 97 ILE HA H 387 3.881 3.881 3.879 0.002 17490 7395 1 12 . 1 1 97 97 ILE C C 387 178.109 178.109 177.383 0.726 17490 7396 1 12 . 1 1 97 97 ILE CA C 387 65.826 65.826 62.807 3.019 17490 7397 1 12 . 1 1 97 97 ILE CB C 387 37.717 37.717 36.664 1.053 17490 7398 1 12 . 1 1 97 97 ILE H H 387 9.339 9.339 8.398 0.941 17490 7399 1 12 . 1 1 98 98 ASN N N 388 117.358 117.358 119.106 -1.748 17490 7400 1 12 . 1 1 98 98 ASN HA H 388 4.224 4.224 4.373 -0.149 17490 7401 1 12 . 1 1 98 98 ASN C C 388 178.040 178.040 176.732 1.308 17490 7402 1 12 . 1 1 98 98 ASN CA C 388 56.205 56.205 56.530 -0.325 17490 7403 1 12 . 1 1 98 98 ASN CB C 388 37.719 37.719 38.217 -0.497 17490 7404 1 12 . 1 1 98 98 ASN H H 388 8.162 8.162 8.642 -0.480 17490 7405 1 12 . 1 1 99 99 ASP N N 389 121.336 121.336 119.342 1.994 17490 7406 1 12 . 1 1 99 99 ASP HA H 389 4.236 4.236 3.938 0.298 17490 7407 1 12 . 1 1 99 99 ASP C C 389 177.813 177.813 177.666 0.147 17490 7408 1 12 . 1 1 99 99 ASP CA C 389 57.639 57.639 57.625 0.014 17490 7409 1 12 . 1 1 99 99 ASP CB C 389 40.497 40.497 40.235 0.262 17490 7410 1 12 . 1 1 99 99 ASP H H 389 7.865 7.865 8.451 -0.586 17490 7411 1 12 . 1 1 100 100 MET N N 390 122.932 122.932 116.736 6.196 17490 7412 1 12 . 1 1 100 100 MET HA H 390 4.499 4.499 3.777 0.722 17490 7413 1 12 . 1 1 100 100 MET C C 390 178.081 178.081 177.564 0.517 17490 7414 1 12 . 1 1 100 100 MET CA C 390 58.402 58.402 58.519 -0.117 17490 7415 1 12 . 1 1 100 100 MET CB C 390 32.263 32.263 32.348 -0.085 17490 7416 1 12 . 1 1 100 100 MET H H 390 7.874 7.874 7.275 0.599 17490 7417 1 12 . 1 1 101 101 LYS N N 391 118.764 118.764 120.188 -1.424 17490 7418 1 12 . 1 1 101 101 LYS HA H 391 3.484 3.484 4.298 -0.814 17490 7419 1 12 . 1 1 101 101 LYS C C 391 178.102 178.102 179.378 -1.276 17490 7420 1 12 . 1 1 101 101 LYS CA C 391 60.070 60.070 59.562 0.508 17490 7421 1 12 . 1 1 101 101 LYS CB C 391 32.468 32.468 31.953 0.515 17490 7422 1 12 . 1 1 101 101 LYS H H 391 7.994 7.994 8.005 -0.011 17490 7423 1 12 . 1 1 102 102 ARG N N 392 118.974 118.974 120.009 -1.035 17490 7424 1 12 . 1 1 102 102 ARG HA H 392 3.971 3.971 4.131 -0.160 17490 7425 1 12 . 1 1 102 102 ARG C C 392 178.433 178.433 179.089 -0.656 17490 7426 1 12 . 1 1 102 102 ARG CA C 392 59.485 59.485 58.849 0.636 17490 7427 1 12 . 1 1 102 102 ARG CB C 392 30.282 30.282 29.884 0.398 17490 7428 1 12 . 1 1 102 102 ARG H H 392 8.088 8.088 7.863 0.225 17490 7429 1 12 . 1 1 103 103 TYR N N 393 119.904 119.904 118.971 0.933 17490 7430 1 12 . 1 1 103 103 TYR HA H 393 4.017 4.017 4.074 -0.057 17490 7431 1 12 . 1 1 103 103 TYR C C 393 177.819 177.819 178.392 -0.573 17490 7432 1 12 . 1 1 103 103 TYR CA C 393 61.926 61.926 58.332 3.594 17490 7433 1 12 . 1 1 103 103 TYR CB C 393 39.373 39.373 36.707 2.666 17490 7434 1 12 . 1 1 103 103 TYR H H 393 8.058 8.058 7.637 0.421 17490 7435 1 12 . 1 1 104 104 TYR N N 394 119.418 119.418 121.371 -1.953 17490 7436 1 12 . 1 1 104 104 TYR HA H 394 4.167 4.167 4.523 -0.356 17490 7437 1 12 . 1 1 104 104 TYR C C 394 177.920 177.920 177.441 0.479 17490 7438 1 12 . 1 1 104 104 TYR CA C 394 61.764 61.764 59.962 1.802 17490 7439 1 12 . 1 1 104 104 TYR CB C 394 39.162 39.162 38.462 0.700 17490 7440 1 12 . 1 1 104 104 TYR H H 394 7.846 7.846 8.507 -0.661 17490 7441 1 12 . 1 1 105 105 ASN N N 395 117.373 117.373 118.045 -0.672 17490 7442 1 12 . 1 1 105 105 ASN HA H 395 4.414 4.414 3.990 0.423 17490 7443 1 12 . 1 1 105 105 ASN C C 395 176.906 176.906 177.295 -0.389 17490 7444 1 12 . 1 1 105 105 ASN CA C 395 55.691 55.691 56.710 -1.019 17490 7445 1 12 . 1 1 105 105 ASN CB C 395 38.472 38.472 38.126 0.346 17490 7446 1 12 . 1 1 105 105 ASN H H 395 8.499 8.499 8.148 0.351 17490 7447 1 12 . 1 1 106 106 ASN N N 396 118.101 118.101 118.437 -0.336 17490 7448 1 12 . 1 1 106 106 ASN HA H 396 4.531 4.531 4.480 0.051 17490 7449 1 12 . 1 1 106 106 ASN C C 396 176.450 176.450 177.372 -0.922 17490 7450 1 12 . 1 1 106 106 ASN CA C 396 54.775 54.775 55.184 -0.409 17490 7451 1 12 . 1 1 106 106 ASN CB C 396 38.543 38.543 38.529 0.014 17490 7452 1 12 . 1 1 106 106 ASN H H 396 8.081 8.081 8.112 -0.031 17490 7453 1 12 . 1 1 107 107 GLN N N 397 118.903 118.903 118.820 0.083 17490 7454 1 12 . 1 1 107 107 GLN HA H 397 3.977 3.977 4.232 -0.255 17490 7455 1 12 . 1 1 107 107 GLN C C 397 176.907 176.907 178.034 -1.127 17490 7456 1 12 . 1 1 107 107 GLN CA C 397 56.815 56.815 58.104 -1.289 17490 7457 1 12 . 1 1 107 107 GLN CB C 397 28.610 28.610 29.121 -0.511 17490 7458 1 12 . 1 1 107 107 GLN H H 397 7.772 7.772 7.909 -0.137 17490 7459 1 12 . 1 1 108 108 GLN N N 398 118.101 118.101 116.706 1.395 17490 7460 1 12 . 1 1 108 108 GLN HA H 398 3.920 3.920 4.097 -0.177 17490 7461 1 12 . 1 1 108 108 GLN C C 398 176.321 176.321 177.119 -0.798 17490 7462 1 12 . 1 1 108 108 GLN CA C 398 56.554 56.554 57.761 -1.207 17490 7463 1 12 . 1 1 108 108 GLN CB C 398 28.650 28.650 29.134 -0.483 17490 7464 1 12 . 1 1 108 108 GLN H H 398 7.854 7.854 8.071 -0.217 17490 7465 1 13 . 1 1 3 3 LEU N N 293 125.082 125.082 125.132 -0.050 17490 7466 1 13 . 1 1 3 3 LEU HA H 293 4.292 4.292 4.846 -0.554 17490 7467 1 13 . 1 1 3 3 LEU C C 293 177.442 177.442 177.308 0.134 17490 7468 1 13 . 1 1 3 3 LEU CA C 293 55.523 55.523 53.376 2.147 17490 7469 1 13 . 1 1 3 3 LEU CB C 293 42.516 42.516 44.165 -1.649 17490 7470 1 13 . 1 1 3 3 LEU H H 293 8.321 8.321 8.665 -0.344 17490 7471 1 13 . 1 1 4 4 GLU N N 294 122.906 122.906 121.625 1.281 17490 7472 1 13 . 1 1 4 4 GLU HA H 294 4.069 4.069 4.166 -0.097 17490 7473 1 13 . 1 1 4 4 GLU C C 294 177.158 177.158 178.220 -1.062 17490 7474 1 13 . 1 1 4 4 GLU CA C 294 58.307 58.307 59.500 -1.193 17490 7475 1 13 . 1 1 4 4 GLU CB C 294 29.676 29.676 29.967 -0.291 17490 7476 1 13 . 1 1 4 4 GLU H H 294 8.521 8.521 8.844 -0.323 17490 7477 1 13 . 1 1 5 5 ARG N N 295 120.270 120.270 118.048 2.222 17490 7478 1 13 . 1 1 5 5 ARG HA H 295 4.131 4.131 4.040 0.091 17490 7479 1 13 . 1 1 5 5 ARG C C 295 177.768 177.768 178.211 -0.443 17490 7480 1 13 . 1 1 5 5 ARG CA C 295 58.082 58.082 59.145 -1.063 17490 7481 1 13 . 1 1 5 5 ARG CB C 295 30.192 30.192 29.709 0.482 17490 7482 1 13 . 1 1 5 5 ARG H H 295 8.327 8.327 8.668 -0.341 17490 7483 1 13 . 1 1 6 6 ASN N N 296 118.639 118.639 117.568 1.071 17490 7484 1 13 . 1 1 6 6 ASN HA H 296 4.554 4.554 4.591 -0.037 17490 7485 1 13 . 1 1 6 6 ASN C C 296 176.830 176.830 177.578 -0.748 17490 7486 1 13 . 1 1 6 6 ASN CA C 296 54.901 54.901 56.283 -1.382 17490 7487 1 13 . 1 1 6 6 ASN CB C 296 38.115 38.115 38.043 0.072 17490 7488 1 13 . 1 1 6 6 ASN H H 296 8.257 8.257 8.527 -0.270 17490 7489 1 13 . 1 1 7 7 GLU N N 297 123.935 123.935 120.510 3.425 17490 7490 1 13 . 1 1 7 7 GLU HA H 297 4.266 4.266 4.198 0.068 17490 7491 1 13 . 1 1 7 7 GLU C C 297 178.102 178.102 178.793 -0.691 17490 7492 1 13 . 1 1 7 7 GLU CA C 297 58.897 58.897 58.976 -0.079 17490 7493 1 13 . 1 1 7 7 GLU CB C 297 29.814 29.814 29.089 0.725 17490 7494 1 13 . 1 1 7 7 GLU H H 297 8.185 8.185 7.720 0.465 17490 7495 1 13 . 1 1 8 8 VAL N N 298 118.916 118.916 120.812 -1.896 17490 7496 1 13 . 1 1 8 8 VAL HA H 298 3.399 3.399 3.482 -0.083 17490 7497 1 13 . 1 1 8 8 VAL C C 298 177.131 177.131 177.616 -0.485 17490 7498 1 13 . 1 1 8 8 VAL CA C 298 67.619 67.619 67.590 0.029 17490 7499 1 13 . 1 1 8 8 VAL CB C 298 32.041 32.041 31.492 0.549 17490 7500 1 13 . 1 1 8 8 VAL H H 298 8.095 8.095 8.829 -0.734 17490 7501 1 13 . 1 1 9 9 LYS N N 299 117.791 117.791 119.320 -1.529 17490 7502 1 13 . 1 1 9 9 LYS HA H 299 3.804 3.804 3.864 -0.060 17490 7503 1 13 . 1 1 9 9 LYS C C 299 179.259 179.259 178.710 0.549 17490 7504 1 13 . 1 1 9 9 LYS CA C 299 59.806 59.806 60.029 -0.223 17490 7505 1 13 . 1 1 9 9 LYS CB C 299 32.290 32.290 32.378 -0.088 17490 7506 1 13 . 1 1 9 9 LYS H H 299 7.771 7.771 7.834 -0.063 17490 7507 1 13 . 1 1 10 10 ARG N N 300 119.032 119.032 119.072 -0.040 17490 7508 1 13 . 1 1 10 10 ARG HA H 300 3.934 3.934 4.121 -0.187 17490 7509 1 13 . 1 1 10 10 ARG C C 300 179.680 179.680 178.905 0.775 17490 7510 1 13 . 1 1 10 10 ARG CA C 300 59.444 59.444 59.192 0.252 17490 7511 1 13 . 1 1 10 10 ARG CB C 300 30.190 30.190 30.098 0.092 17490 7512 1 13 . 1 1 10 10 ARG H H 300 7.834 7.834 7.999 -0.165 17490 7513 1 13 . 1 1 11 11 LEU N N 301 120.881 120.881 117.842 3.039 17490 7514 1 13 . 1 1 11 11 LEU HA H 301 3.890 3.890 4.224 -0.334 17490 7515 1 13 . 1 1 11 11 LEU C C 301 178.937 178.937 177.595 1.342 17490 7516 1 13 . 1 1 11 11 LEU CA C 301 58.067 58.067 56.679 1.388 17490 7517 1 13 . 1 1 11 11 LEU CB C 301 42.051 42.051 42.278 -0.227 17490 7518 1 13 . 1 1 11 11 LEU H H 301 8.147 8.147 8.173 -0.026 17490 7519 1 13 . 1 1 12 12 LEU N N 302 116.294 116.294 117.616 -1.322 17490 7520 1 13 . 1 1 12 12 LEU HA H 302 3.874 3.874 4.193 -0.319 17490 7521 1 13 . 1 1 12 12 LEU C C 302 177.360 177.360 178.186 -0.826 17490 7522 1 13 . 1 1 12 12 LEU CA C 302 57.498 57.498 56.349 1.149 17490 7523 1 13 . 1 1 12 12 LEU CB C 302 41.506 41.506 42.569 -1.063 17490 7524 1 13 . 1 1 12 12 LEU H H 302 8.331 8.331 7.711 0.620 17490 7525 1 13 . 1 1 13 13 ALA N N 303 117.998 117.998 120.209 -2.211 17490 7526 1 13 . 1 1 13 13 ALA HA H 303 4.480 4.480 4.390 0.090 17490 7527 1 13 . 1 1 13 13 ALA C C 303 177.554 177.554 178.004 -0.450 17490 7528 1 13 . 1 1 13 13 ALA CA C 303 51.290 51.290 52.584 -1.294 17490 7529 1 13 . 1 1 13 13 ALA CB C 303 19.810 19.810 19.833 -0.023 17490 7530 1 13 . 1 1 13 13 ALA H H 303 7.109 7.109 7.844 -0.735 17490 7531 1 13 . 1 1 14 14 SER N N 304 114.833 114.833 114.842 -0.009 17490 7532 1 13 . 1 1 14 14 SER HA H 304 4.175 4.175 4.257 -0.082 17490 7533 1 13 . 1 1 14 14 SER C C 304 175.762 175.762 174.629 1.133 17490 7534 1 13 . 1 1 14 14 SER CA C 304 59.344 59.344 59.814 -0.470 17490 7535 1 13 . 1 1 14 14 SER CB C 304 63.704 63.704 63.671 0.033 17490 7536 1 13 . 1 1 14 14 SER H H 304 7.265 7.265 7.764 -0.499 17490 7537 1 13 . 1 1 15 15 ARG N N 305 125.370 125.370 125.001 0.369 17490 7538 1 13 . 1 1 15 15 ARG HA H 305 4.555 4.555 4.263 0.292 17490 7539 1 13 . 1 1 15 15 ARG C C 305 175.442 175.442 176.178 -0.736 17490 7540 1 13 . 1 1 15 15 ARG CA C 305 54.847 54.847 57.169 -2.322 17490 7541 1 13 . 1 1 15 15 ARG CB C 305 30.415 30.415 30.819 -0.404 17490 7542 1 13 . 1 1 15 15 ARG H H 305 8.872 8.872 8.367 0.505 17490 7543 1 13 . 1 1 16 16 ASN N N 306 120.536 120.536 118.027 2.509 17490 7544 1 13 . 1 1 16 16 ASN HA H 306 4.774 4.774 4.670 0.104 17490 7545 1 13 . 1 1 16 16 ASN C C 306 175.146 175.146 175.956 -0.810 17490 7546 1 13 . 1 1 16 16 ASN CA C 306 52.434 52.434 52.967 -0.533 17490 7547 1 13 . 1 1 16 16 ASN CB C 306 38.294 38.294 38.086 0.208 17490 7548 1 13 . 1 1 16 16 ASN H H 306 8.367 8.367 8.214 0.153 17490 7549 1 13 . 1 1 17 17 SER N N 307 121.694 121.694 122.596 -0.902 17490 7550 1 13 . 1 1 17 17 SER HA H 307 4.090 4.090 4.430 -0.340 17490 7551 1 13 . 1 1 17 17 SER C C 307 175.970 175.970 174.953 1.017 17490 7552 1 13 . 1 1 17 17 SER CA C 307 61.484 61.484 59.331 2.153 17490 7553 1 13 . 1 1 17 17 SER CB C 307 62.850 62.850 62.827 0.023 17490 7554 1 13 . 1 1 17 17 SER H H 307 8.656 8.656 8.619 0.037 17490 7555 1 13 . 1 1 18 18 LYS N N 308 120.961 120.961 121.885 -0.924 17490 7556 1 13 . 1 1 18 18 LYS HA H 308 4.115 4.115 4.044 0.071 17490 7557 1 13 . 1 1 18 18 LYS C C 308 178.999 178.999 177.814 1.185 17490 7558 1 13 . 1 1 18 18 LYS CA C 308 58.606 58.606 58.868 -0.262 17490 7559 1 13 . 1 1 18 18 LYS CB C 308 31.614 31.614 32.450 -0.836 17490 7560 1 13 . 1 1 18 18 LYS H H 308 8.060 8.060 7.812 0.248 17490 7561 1 13 . 1 1 19 19 GLU N N 309 118.377 118.377 120.114 -1.737 17490 7562 1 13 . 1 1 19 19 GLU HA H 309 4.198 4.198 4.142 0.056 17490 7563 1 13 . 1 1 19 19 GLU C C 309 178.136 178.136 178.045 0.091 17490 7564 1 13 . 1 1 19 19 GLU CA C 309 57.939 57.939 58.831 -0.892 17490 7565 1 13 . 1 1 19 19 GLU CB C 309 30.115 30.115 29.704 0.411 17490 7566 1 13 . 1 1 19 19 GLU H H 309 7.520 7.520 7.463 0.057 17490 7567 1 13 . 1 1 20 20 LEU N N 310 118.101 118.101 117.303 0.798 17490 7568 1 13 . 1 1 20 20 LEU HA H 310 4.168 4.168 4.253 -0.085 17490 7569 1 13 . 1 1 20 20 LEU C C 310 179.112 179.112 177.845 1.267 17490 7570 1 13 . 1 1 20 20 LEU CA C 310 56.583 56.583 56.135 0.448 17490 7571 1 13 . 1 1 20 20 LEU CB C 310 41.611 41.611 41.342 0.269 17490 7572 1 13 . 1 1 20 20 LEU H H 310 7.741 7.741 7.372 0.369 17490 7573 1 13 . 1 1 21 21 GLU N N 311 116.130 116.130 117.928 -1.798 17490 7574 1 13 . 1 1 21 21 GLU HA H 311 4.342 4.342 4.358 -0.016 17490 7575 1 13 . 1 1 21 21 GLU C C 311 176.928 176.928 178.624 -1.696 17490 7576 1 13 . 1 1 21 21 GLU CA C 311 58.216 58.216 57.840 0.376 17490 7577 1 13 . 1 1 21 21 GLU CB C 311 29.608 29.608 30.175 -0.567 17490 7578 1 13 . 1 1 21 21 GLU H H 311 7.747 7.747 7.633 0.114 17490 7579 1 13 . 1 1 22 22 THR N N 312 106.131 106.131 117.905 -11.774 17490 7580 1 13 . 1 1 22 22 THR HA H 312 4.182 4.182 4.364 -0.182 17490 7581 1 13 . 1 1 22 22 THR C C 312 172.032 172.032 173.102 -1.070 17490 7582 1 13 . 1 1 22 22 THR CA C 312 61.539 61.539 63.390 -1.851 17490 7583 1 13 . 1 1 22 22 THR CB C 312 69.426 69.426 67.902 1.524 17490 7584 1 13 . 1 1 22 22 THR H H 312 7.446 7.446 7.955 -0.509 17490 7585 1 13 . 1 1 23 23 LEU N N 313 120.178 120.178 118.282 1.896 17490 7586 1 13 . 1 1 23 23 LEU HA H 313 5.869 5.869 5.627 0.242 17490 7587 1 13 . 1 1 23 23 LEU C C 313 175.604 175.604 174.311 1.293 17490 7588 1 13 . 1 1 23 23 LEU CA C 313 52.838 52.838 54.309 -1.471 17490 7589 1 13 . 1 1 23 23 LEU CB C 313 46.851 46.851 45.764 1.087 17490 7590 1 13 . 1 1 23 23 LEU H H 313 7.538 7.538 7.417 0.121 17490 7591 1 13 . 1 1 24 24 ILE N N 314 113.990 113.990 113.756 0.234 17490 7592 1 13 . 1 1 24 24 ILE HA H 314 4.717 4.717 4.704 0.013 17490 7593 1 13 . 1 1 24 24 ILE C C 314 173.530 173.530 173.376 0.154 17490 7594 1 13 . 1 1 24 24 ILE CA C 314 59.368 59.368 59.397 -0.028 17490 7595 1 13 . 1 1 24 24 ILE CB C 314 42.319 42.319 42.171 0.148 17490 7596 1 13 . 1 1 24 24 ILE H H 314 8.904 8.904 8.596 0.308 17490 7597 1 13 . 1 1 25 25 CYS N N 315 117.755 117.755 120.765 -3.010 17490 7598 1 13 . 1 1 25 25 CYS HA H 315 5.914 5.914 5.125 0.789 17490 7599 1 13 . 1 1 25 25 CYS C C 315 174.153 174.153 174.695 -0.542 17490 7600 1 13 . 1 1 25 25 CYS CA C 315 57.187 57.187 56.817 0.370 17490 7601 1 13 . 1 1 25 25 CYS CB C 315 31.754 31.754 26.817 4.937 17490 7602 1 13 . 1 1 25 25 CYS H H 315 9.021 9.021 8.792 0.229 17490 7603 1 13 . 1 1 26 26 LEU N N 316 119.952 119.952 125.804 -5.852 17490 7604 1 13 . 1 1 26 26 LEU HA H 316 5.363 5.363 4.471 0.892 17490 7605 1 13 . 1 1 26 26 LEU C C 316 176.015 176.015 175.286 0.729 17490 7606 1 13 . 1 1 26 26 LEU CA C 316 53.072 53.072 55.023 -1.951 17490 7607 1 13 . 1 1 26 26 LEU CB C 316 45.891 45.891 42.543 3.348 17490 7608 1 13 . 1 1 26 26 LEU H H 316 8.778 8.778 8.952 -0.174 17490 7609 1 13 . 1 1 27 27 PHE N N 317 116.116 116.116 125.812 -9.696 17490 7610 1 13 . 1 1 27 27 PHE HA H 317 4.158 4.158 5.356 -1.198 17490 7611 1 13 . 1 1 27 27 PHE CA C 317 55.594 55.594 53.756 1.838 17490 7612 1 13 . 1 1 27 27 PHE CB C 317 37.765 37.765 40.162 -2.397 17490 7613 1 13 . 1 1 27 27 PHE H H 317 7.827 7.827 9.245 -1.418 17490 7614 1 13 . 1 1 28 28 PRO HA H 318 5.322 5.322 4.747 0.575 17490 7615 1 13 . 1 1 28 28 PRO C C 318 175.163 175.163 175.239 -0.076 17490 7616 1 13 . 1 1 28 28 PRO CA C 318 61.657 61.657 62.405 -0.748 17490 7617 1 13 . 1 1 28 28 PRO CB C 318 34.356 34.356 30.664 3.692 17490 7618 1 13 . 1 1 29 29 LEU N N 319 120.206 120.206 117.199 3.007 17490 7619 1 13 . 1 1 29 29 LEU HA H 319 4.674 4.674 4.664 0.010 17490 7620 1 13 . 1 1 29 29 LEU C C 319 176.806 176.806 175.844 0.962 17490 7621 1 13 . 1 1 29 29 LEU CA C 319 52.817 52.817 53.765 -0.948 17490 7622 1 13 . 1 1 29 29 LEU CB C 319 45.029 45.029 44.291 0.737 17490 7623 1 13 . 1 1 29 29 LEU H H 319 8.365 8.365 7.709 0.656 17490 7624 1 13 . 1 1 30 30 SER N N 320 117.220 117.220 116.573 0.647 17490 7625 1 13 . 1 1 30 30 SER HA H 320 4.475 4.475 4.588 -0.113 17490 7626 1 13 . 1 1 30 30 SER C C 320 174.677 174.677 174.808 -0.131 17490 7627 1 13 . 1 1 30 30 SER CA C 320 57.768 57.768 57.571 0.197 17490 7628 1 13 . 1 1 30 30 SER CB C 320 64.118 64.118 63.951 0.167 17490 7629 1 13 . 1 1 30 30 SER H H 320 8.652 8.652 8.479 0.173 17490 7630 1 13 . 1 1 31 31 ASP N N 321 121.514 121.514 119.800 1.714 17490 7631 1 13 . 1 1 31 31 ASP HA H 321 4.471 4.471 4.629 -0.158 17490 7632 1 13 . 1 1 31 31 ASP C C 321 176.811 176.811 176.222 0.589 17490 7633 1 13 . 1 1 31 31 ASP CA C 321 55.388 55.388 55.155 0.233 17490 7634 1 13 . 1 1 31 31 ASP CB C 321 40.060 40.060 40.924 -0.864 17490 7635 1 13 . 1 1 31 31 ASP H H 321 8.587 8.587 8.650 -0.063 17490 7636 1 13 . 1 1 32 32 LYS N N 322 117.990 117.990 118.661 -0.671 17490 7637 1 13 . 1 1 32 32 LYS HA H 322 4.331 4.331 4.490 -0.159 17490 7638 1 13 . 1 1 32 32 LYS C C 322 176.804 176.804 175.537 1.267 17490 7639 1 13 . 1 1 32 32 LYS CA C 322 55.545 55.545 55.447 0.098 17490 7640 1 13 . 1 1 32 32 LYS CB C 322 31.942 31.942 32.982 -1.040 17490 7641 1 13 . 1 1 32 32 LYS H H 322 8.053 8.053 7.897 0.156 17490 7642 1 13 . 1 1 33 33 VAL N N 323 119.570 119.570 116.297 3.273 17490 7643 1 13 . 1 1 33 33 VAL HA H 323 3.922 3.922 4.327 -0.405 17490 7644 1 13 . 1 1 33 33 VAL C C 323 173.362 173.362 175.436 -2.074 17490 7645 1 13 . 1 1 33 33 VAL CA C 323 63.294 63.294 60.497 2.797 17490 7646 1 13 . 1 1 33 33 VAL CB C 323 32.410 32.410 32.534 -0.124 17490 7647 1 13 . 1 1 33 33 VAL H H 323 7.333 7.333 7.582 -0.249 17490 7648 1 13 . 1 1 34 34 SER N N 324 118.908 118.908 114.971 3.937 17490 7649 1 13 . 1 1 34 34 SER HA H 324 5.104 5.104 4.941 0.163 17490 7650 1 13 . 1 1 34 34 SER CA C 324 55.114 55.114 56.405 -1.291 17490 7651 1 13 . 1 1 34 34 SER CB C 324 64.522 64.522 64.734 -0.212 17490 7652 1 13 . 1 1 34 34 SER H H 324 7.099 7.099 8.104 -1.005 17490 7653 1 13 . 1 1 35 35 PRO HA H 325 4.038 4.038 4.144 -0.106 17490 7654 1 13 . 1 1 35 35 PRO C C 325 178.107 178.107 178.322 -0.215 17490 7655 1 13 . 1 1 35 35 PRO CA C 325 66.275 66.275 65.570 0.705 17490 7656 1 13 . 1 1 35 35 PRO CB C 325 31.873 31.873 31.962 -0.089 17490 7657 1 13 . 1 1 36 36 SER N N 326 111.480 111.480 113.604 -2.124 17490 7658 1 13 . 1 1 36 36 SER HA H 326 4.179 4.179 4.327 -0.148 17490 7659 1 13 . 1 1 36 36 SER C C 326 176.897 176.897 176.802 0.095 17490 7660 1 13 . 1 1 36 36 SER CA C 326 61.731 61.731 60.985 0.746 17490 7661 1 13 . 1 1 36 36 SER CB C 326 62.211 62.211 62.342 -0.131 17490 7662 1 13 . 1 1 36 36 SER H H 326 8.172 8.172 8.353 -0.181 17490 7663 1 13 . 1 1 37 37 LEU N N 327 123.898 123.898 121.112 2.786 17490 7664 1 13 . 1 1 37 37 LEU HA H 327 4.311 4.311 4.057 0.254 17490 7665 1 13 . 1 1 37 37 LEU C C 327 180.292 180.292 178.834 1.458 17490 7666 1 13 . 1 1 37 37 LEU CA C 327 57.921 57.921 57.628 0.293 17490 7667 1 13 . 1 1 37 37 LEU CB C 327 42.694 42.694 41.421 1.273 17490 7668 1 13 . 1 1 37 37 LEU H H 327 7.751 7.751 8.243 -0.492 17490 7669 1 13 . 1 1 38 38 ILE N N 328 119.411 119.411 120.125 -0.714 17490 7670 1 13 . 1 1 38 38 ILE HA H 328 3.627 3.627 3.769 -0.142 17490 7671 1 13 . 1 1 38 38 ILE C C 328 176.884 176.884 178.122 -1.238 17490 7672 1 13 . 1 1 38 38 ILE CA C 328 65.153 65.153 66.154 -1.001 17490 7673 1 13 . 1 1 38 38 ILE CB C 328 37.446 37.446 37.931 -0.485 17490 7674 1 13 . 1 1 38 38 ILE H H 328 7.636 7.636 7.475 0.161 17490 7675 1 13 . 1 1 39 39 CYS N N 329 120.430 120.430 117.240 3.190 17490 7676 1 13 . 1 1 39 39 CYS HA H 329 3.743 3.743 3.938 -0.195 17490 7677 1 13 . 1 1 39 39 CYS C C 329 176.205 176.205 177.188 -0.983 17490 7678 1 13 . 1 1 39 39 CYS CA C 329 63.564 63.564 63.269 0.295 17490 7679 1 13 . 1 1 39 39 CYS CB C 329 26.285 26.285 27.158 -0.873 17490 7680 1 13 . 1 1 39 39 CYS H H 329 8.640 8.640 7.672 0.968 17490 7681 1 13 . 1 1 40 40 GLN N N 330 118.263 118.263 119.551 -1.288 17490 7682 1 13 . 1 1 40 40 GLN HA H 330 4.099 4.099 4.005 0.095 17490 7683 1 13 . 1 1 40 40 GLN C C 330 177.445 177.445 178.442 -0.997 17490 7684 1 13 . 1 1 40 40 GLN CA C 330 59.496 59.496 58.593 0.903 17490 7685 1 13 . 1 1 40 40 GLN CB C 330 28.469 28.469 28.002 0.467 17490 7686 1 13 . 1 1 40 40 GLN H H 330 8.213 8.213 8.132 0.081 17490 7687 1 13 . 1 1 41 41 PHE N N 331 121.411 121.411 120.633 0.778 17490 7688 1 13 . 1 1 41 41 PHE HA H 331 4.661 4.661 4.185 0.476 17490 7689 1 13 . 1 1 41 41 PHE C C 331 177.475 177.475 177.370 0.105 17490 7690 1 13 . 1 1 41 41 PHE CA C 331 60.181 60.181 60.941 -0.760 17490 7691 1 13 . 1 1 41 41 PHE CB C 331 39.561 39.561 38.937 0.624 17490 7692 1 13 . 1 1 41 41 PHE H H 331 7.806 7.806 8.112 -0.306 17490 7693 1 13 . 1 1 42 42 LEU N N 332 119.016 119.016 119.585 -0.569 17490 7694 1 13 . 1 1 42 42 LEU HA H 332 3.508 3.508 3.609 -0.101 17490 7695 1 13 . 1 1 42 42 LEU C C 332 178.495 178.495 179.089 -0.594 17490 7696 1 13 . 1 1 42 42 LEU CA C 332 57.545 57.545 57.556 -0.011 17490 7697 1 13 . 1 1 42 42 LEU CB C 332 40.880 40.880 41.508 -0.628 17490 7698 1 13 . 1 1 42 42 LEU H H 332 8.436 8.436 7.941 0.495 17490 7699 1 13 . 1 1 43 43 GLN N N 333 116.210 116.210 117.795 -1.585 17490 7700 1 13 . 1 1 43 43 GLN HA H 333 4.590 4.590 4.205 0.385 17490 7701 1 13 . 1 1 43 43 GLN C C 333 178.499 178.499 178.800 -0.301 17490 7702 1 13 . 1 1 43 43 GLN CA C 333 58.875 58.875 58.799 0.076 17490 7703 1 13 . 1 1 43 43 GLN CB C 333 30.846 30.846 28.436 2.410 17490 7704 1 13 . 1 1 43 43 GLN H H 333 8.236 8.236 8.547 -0.311 17490 7705 1 13 . 1 1 44 44 GLU N N 334 117.050 117.050 119.650 -2.600 17490 7706 1 13 . 1 1 44 44 GLU HA H 334 4.116 4.116 4.070 0.046 17490 7707 1 13 . 1 1 44 44 GLU C C 334 177.407 177.407 177.934 -0.527 17490 7708 1 13 . 1 1 44 44 GLU CA C 334 58.756 58.756 58.923 -0.167 17490 7709 1 13 . 1 1 44 44 GLU CB C 334 30.518 30.518 29.549 0.969 17490 7710 1 13 . 1 1 44 44 GLU H H 334 8.926 8.926 8.268 0.658 17490 7711 1 13 . 1 1 45 45 GLU N N 335 114.950 114.950 117.218 -2.268 17490 7712 1 13 . 1 1 45 45 GLU HA H 335 4.354 4.354 4.191 0.163 17490 7713 1 13 . 1 1 45 45 GLU C C 335 176.873 176.873 178.322 -1.449 17490 7714 1 13 . 1 1 45 45 GLU CA C 335 57.018 57.018 57.175 -0.157 17490 7715 1 13 . 1 1 45 45 GLU CB C 335 29.537 29.537 30.992 -1.455 17490 7716 1 13 . 1 1 45 45 GLU H H 335 8.054 8.054 7.818 0.236 17490 7717 1 13 . 1 1 46 46 ILE N N 336 115.649 115.649 117.027 -1.378 17490 7718 1 13 . 1 1 46 46 ILE HA H 336 3.895 3.895 4.129 -0.234 17490 7719 1 13 . 1 1 46 46 ILE C C 336 175.873 175.873 176.210 -0.337 17490 7720 1 13 . 1 1 46 46 ILE CA C 336 58.097 58.097 60.728 -2.631 17490 7721 1 13 . 1 1 46 46 ILE CB C 336 35.077 35.077 37.315 -2.238 17490 7722 1 13 . 1 1 46 46 ILE H H 336 6.749 6.749 7.623 -0.874 17490 7723 1 13 . 1 1 47 47 HIS N N 337 111.685 111.685 115.965 -4.280 17490 7724 1 13 . 1 1 47 47 HIS HA H 337 4.520 4.520 4.317 0.203 17490 7725 1 13 . 1 1 47 47 HIS C C 337 174.787 174.787 174.284 0.503 17490 7726 1 13 . 1 1 47 47 HIS CA C 337 56.387 56.387 56.039 0.348 17490 7727 1 13 . 1 1 47 47 HIS CB C 337 24.947 24.947 27.854 -2.907 17490 7728 1 13 . 1 1 47 47 HIS H H 337 6.652 6.652 7.670 -1.018 17490 7729 1 13 . 1 1 48 48 ILE N N 338 118.069 118.069 119.397 -1.328 17490 7730 1 13 . 1 1 48 48 ILE HA H 338 4.433 4.433 3.929 0.504 17490 7731 1 13 . 1 1 48 48 ILE C C 338 175.031 175.031 175.074 -0.043 17490 7732 1 13 . 1 1 48 48 ILE CA C 338 60.737 60.737 62.788 -2.051 17490 7733 1 13 . 1 1 48 48 ILE CB C 338 38.861 38.861 38.381 0.480 17490 7734 1 13 . 1 1 48 48 ILE H H 338 7.963 7.963 7.379 0.584 17490 7735 1 13 . 1 1 49 49 ASN N N 339 123.991 123.991 122.165 1.826 17490 7736 1 13 . 1 1 49 49 ASN HA H 339 4.691 4.691 4.879 -0.188 17490 7737 1 13 . 1 1 49 49 ASN C C 339 176.381 176.381 175.721 0.660 17490 7738 1 13 . 1 1 49 49 ASN CA C 339 53.296 53.296 51.213 2.083 17490 7739 1 13 . 1 1 49 49 ASN CB C 339 40.570 40.570 39.851 0.719 17490 7740 1 13 . 1 1 49 49 ASN H H 339 9.222 9.222 8.179 1.043 17490 7741 1 13 . 1 1 50 50 GLU N N 340 125.549 125.549 118.859 6.690 17490 7742 1 13 . 1 1 50 50 GLU HA H 340 3.792 3.792 4.016 -0.224 17490 7743 1 13 . 1 1 50 50 GLU C C 340 177.988 177.988 176.918 1.070 17490 7744 1 13 . 1 1 50 50 GLU CA C 340 59.807 59.807 58.684 1.123 17490 7745 1 13 . 1 1 50 50 GLU CB C 340 29.143 29.143 28.479 0.664 17490 7746 1 13 . 1 1 50 50 GLU H H 340 8.971 8.971 8.873 0.098 17490 7747 1 13 . 1 1 51 51 LYS N N 341 116.019 116.019 117.137 -1.118 17490 7748 1 13 . 1 1 51 51 LYS HA H 341 4.117 4.117 4.344 -0.227 17490 7749 1 13 . 1 1 51 51 LYS C C 341 177.283 177.283 177.707 -0.424 17490 7750 1 13 . 1 1 51 51 LYS CA C 341 57.718 57.718 57.678 0.040 17490 7751 1 13 . 1 1 51 51 LYS CB C 341 31.650 31.650 33.134 -1.484 17490 7752 1 13 . 1 1 51 51 LYS H H 341 8.424 8.424 7.374 1.050 17490 7753 1 13 . 1 1 52 52 ASP N N 342 117.576 117.576 120.649 -3.073 17490 7754 1 13 . 1 1 52 52 ASP HA H 342 4.444 4.444 4.469 -0.025 17490 7755 1 13 . 1 1 52 52 ASP C C 342 175.454 175.454 176.729 -1.275 17490 7756 1 13 . 1 1 52 52 ASP CA C 342 56.002 56.002 57.314 -1.312 17490 7757 1 13 . 1 1 52 52 ASP CB C 342 41.937 41.937 41.971 -0.034 17490 7758 1 13 . 1 1 52 52 ASP H H 342 7.908 7.908 8.582 -0.674 17490 7759 1 13 . 1 1 53 53 ILE N N 343 120.515 120.515 119.791 0.724 17490 7760 1 13 . 1 1 53 53 ILE HA H 343 3.875 3.875 3.937 -0.062 17490 7761 1 13 . 1 1 53 53 ILE C C 343 174.966 174.966 175.698 -0.732 17490 7762 1 13 . 1 1 53 53 ILE CA C 343 61.101 61.101 62.666 -1.565 17490 7763 1 13 . 1 1 53 53 ILE CB C 343 39.931 39.931 38.225 1.706 17490 7764 1 13 . 1 1 53 53 ILE H H 343 7.480 7.480 7.402 0.078 17490 7765 1 13 . 1 1 54 54 ARG N N 344 125.353 125.353 127.007 -1.654 17490 7766 1 13 . 1 1 54 54 ARG HA H 344 4.291 4.291 4.240 0.051 17490 7767 1 13 . 1 1 54 54 ARG C C 344 176.642 176.642 176.388 0.254 17490 7768 1 13 . 1 1 54 54 ARG CA C 344 57.550 57.550 57.524 0.026 17490 7769 1 13 . 1 1 54 54 ARG CB C 344 30.848 30.848 31.567 -0.719 17490 7770 1 13 . 1 1 54 54 ARG H H 344 9.063 9.063 8.936 0.127 17490 7771 1 13 . 1 1 55 55 LYS N N 345 116.212 116.212 117.248 -1.036 17490 7772 1 13 . 1 1 55 55 LYS HA H 345 4.417 4.417 4.438 -0.021 17490 7773 1 13 . 1 1 55 55 LYS C C 345 173.004 173.004 173.917 -0.913 17490 7774 1 13 . 1 1 55 55 LYS CA C 345 55.873 55.873 55.989 -0.116 17490 7775 1 13 . 1 1 55 55 LYS CB C 345 36.582 36.582 36.681 -0.099 17490 7776 1 13 . 1 1 55 55 LYS H H 345 7.569 7.569 7.552 0.017 17490 7777 1 13 . 1 1 56 56 ILE N N 346 122.685 122.685 122.112 0.573 17490 7778 1 13 . 1 1 56 56 ILE HA H 346 4.731 4.731 5.278 -0.547 17490 7779 1 13 . 1 1 56 56 ILE C C 346 174.163 174.163 173.863 0.300 17490 7780 1 13 . 1 1 56 56 ILE CA C 346 60.843 60.843 59.388 1.455 17490 7781 1 13 . 1 1 56 56 ILE CB C 346 40.816 40.816 40.376 0.441 17490 7782 1 13 . 1 1 56 56 ILE H H 346 8.229 8.229 8.289 -0.060 17490 7783 1 13 . 1 1 57 57 LEU N N 347 126.095 126.095 127.069 -0.974 17490 7784 1 13 . 1 1 57 57 LEU HA H 347 4.775 4.775 4.732 0.043 17490 7785 1 13 . 1 1 57 57 LEU C C 347 175.764 175.764 174.818 0.946 17490 7786 1 13 . 1 1 57 57 LEU CA C 347 52.746 52.746 54.079 -1.333 17490 7787 1 13 . 1 1 57 57 LEU CB C 347 45.364 45.364 46.475 -1.111 17490 7788 1 13 . 1 1 57 57 LEU H H 347 9.279 9.279 8.579 0.700 17490 7789 1 13 . 1 1 58 58 LEU N N 348 122.946 122.946 122.379 0.567 17490 7790 1 13 . 1 1 58 58 LEU HA H 348 4.338 4.338 4.508 -0.170 17490 7791 1 13 . 1 1 58 58 LEU C C 348 176.476 176.476 176.553 -0.077 17490 7792 1 13 . 1 1 58 58 LEU CA C 348 55.221 55.221 54.250 0.971 17490 7793 1 13 . 1 1 58 58 LEU CB C 348 41.496 41.496 42.443 -0.947 17490 7794 1 13 . 1 1 58 58 LEU H H 348 8.925 8.925 9.191 -0.266 17490 7795 1 13 . 1 1 59 59 VAL N N 349 123.378 123.378 127.069 -3.691 17490 7796 1 13 . 1 1 59 59 VAL HA H 349 4.385 4.385 4.360 0.025 17490 7797 1 13 . 1 1 59 59 VAL C C 349 176.335 176.335 175.531 0.804 17490 7798 1 13 . 1 1 59 59 VAL CA C 349 59.595 59.595 60.979 -1.384 17490 7799 1 13 . 1 1 59 59 VAL CB C 349 31.100 31.100 30.288 0.812 17490 7800 1 13 . 1 1 59 59 VAL H H 349 8.637 8.637 8.722 -0.085 17490 7801 1 13 . 1 1 60 60 SER N N 350 124.152 124.152 120.217 3.935 17490 7802 1 13 . 1 1 60 60 SER HA H 350 3.907 3.907 4.462 -0.555 17490 7803 1 13 . 1 1 60 60 SER C C 350 177.518 177.518 174.069 3.449 17490 7804 1 13 . 1 1 60 60 SER CA C 350 62.261 62.261 59.859 2.402 17490 7805 1 13 . 1 1 60 60 SER CB C 350 62.301 62.301 63.193 -0.892 17490 7806 1 13 . 1 1 60 60 SER H H 350 8.755 8.755 8.319 0.436 17490 7807 1 13 . 1 1 61 61 ASP N N 351 119.224 119.224 119.000 0.224 17490 7808 1 13 . 1 1 61 61 ASP HA H 351 3.964 3.964 4.307 -0.343 17490 7809 1 13 . 1 1 61 61 ASP C C 351 174.721 174.721 174.085 0.636 17490 7810 1 13 . 1 1 61 61 ASP CA C 351 56.162 56.162 53.770 2.392 17490 7811 1 13 . 1 1 61 61 ASP CB C 351 40.102 40.102 39.939 0.163 17490 7812 1 13 . 1 1 61 61 ASP H H 351 9.011 9.011 7.967 1.044 17490 7813 1 13 . 1 1 62 62 PHE N N 352 110.179 110.179 113.211 -3.032 17490 7814 1 13 . 1 1 62 62 PHE HA H 352 3.983 3.983 2.784 1.199 17490 7815 1 13 . 1 1 62 62 PHE C C 352 173.268 173.268 173.952 -0.684 17490 7816 1 13 . 1 1 62 62 PHE CA C 352 56.221 56.221 57.209 -0.988 17490 7817 1 13 . 1 1 62 62 PHE CB C 352 39.789 39.789 39.162 0.627 17490 7818 1 13 . 1 1 62 62 PHE H H 352 6.702 6.702 7.056 -0.354 17490 7819 1 13 . 1 1 63 63 ASN N N 353 114.980 114.980 116.988 -2.008 17490 7820 1 13 . 1 1 63 63 ASN HA H 353 4.665 4.665 4.455 0.210 17490 7821 1 13 . 1 1 63 63 ASN C C 353 174.360 174.360 173.176 1.184 17490 7822 1 13 . 1 1 63 63 ASN CA C 353 54.158 54.158 53.414 0.744 17490 7823 1 13 . 1 1 63 63 ASN CB C 353 37.889 37.889 37.132 0.757 17490 7824 1 13 . 1 1 63 63 ASN H H 353 7.708 7.708 8.076 -0.368 17490 7825 1 13 . 1 1 64 64 GLY N N 354 102.117 102.117 104.438 -2.321 17490 7826 1 13 . 1 1 64 64 GLY C C 354 173.093 173.093 171.422 1.671 17490 7827 1 13 . 1 1 64 64 GLY CA C 354 45.413 45.413 43.657 1.756 17490 7828 1 13 . 1 1 64 64 GLY H H 354 7.722 7.722 8.247 -0.525 17490 7829 1 13 . 1 1 65 65 ALA N N 355 120.262 120.262 121.602 -1.340 17490 7830 1 13 . 1 1 65 65 ALA HA H 355 5.055 5.055 5.034 0.021 17490 7831 1 13 . 1 1 65 65 ALA C C 355 174.731 174.731 175.340 -0.609 17490 7832 1 13 . 1 1 65 65 ALA CA C 355 51.429 51.429 50.433 0.996 17490 7833 1 13 . 1 1 65 65 ALA CB C 355 22.924 22.924 21.750 1.174 17490 7834 1 13 . 1 1 65 65 ALA H H 355 8.785 8.785 8.494 0.291 17490 7835 1 13 . 1 1 66 66 ILE N N 356 121.244 121.244 126.591 -5.347 17490 7836 1 13 . 1 1 66 66 ILE HA H 356 4.711 4.711 4.897 -0.186 17490 7837 1 13 . 1 1 66 66 ILE C C 356 174.154 174.154 173.892 0.262 17490 7838 1 13 . 1 1 66 66 ILE CA C 356 60.570 60.570 60.418 0.152 17490 7839 1 13 . 1 1 66 66 ILE CB C 356 41.943 41.943 39.466 2.477 17490 7840 1 13 . 1 1 66 66 ILE H H 356 9.390 9.390 8.181 1.209 17490 7841 1 13 . 1 1 67 67 ILE N N 357 127.255 127.255 129.658 -2.403 17490 7842 1 13 . 1 1 67 67 ILE HA H 357 4.433 4.433 4.754 -0.321 17490 7843 1 13 . 1 1 67 67 ILE C C 357 174.004 174.004 174.490 -0.486 17490 7844 1 13 . 1 1 67 67 ILE CA C 357 59.826 59.826 59.989 -0.163 17490 7845 1 13 . 1 1 67 67 ILE CB C 357 38.965 38.965 41.950 -2.985 17490 7846 1 13 . 1 1 67 67 ILE H H 357 9.291 9.291 8.530 0.761 17490 7847 1 13 . 1 1 68 68 ILE N N 358 124.623 124.623 127.991 -3.368 17490 7848 1 13 . 1 1 68 68 ILE HA H 358 4.293 4.293 4.773 -0.480 17490 7849 1 13 . 1 1 68 68 ILE C C 358 176.052 176.052 175.248 0.804 17490 7850 1 13 . 1 1 68 68 ILE CA C 358 61.079 61.079 60.078 1.001 17490 7851 1 13 . 1 1 68 68 ILE CB C 358 38.373 38.373 38.416 -0.043 17490 7852 1 13 . 1 1 68 68 ILE H H 358 8.681 8.681 8.543 0.138 17490 7853 1 13 . 1 1 69 69 PHE N N 359 126.100 126.100 125.660 0.440 17490 7854 1 13 . 1 1 69 69 PHE HA H 359 5.130 5.130 4.622 0.508 17490 7855 1 13 . 1 1 69 69 PHE C C 359 175.355 175.355 176.799 -1.444 17490 7856 1 13 . 1 1 69 69 PHE CA C 359 58.156 58.156 59.392 -1.236 17490 7857 1 13 . 1 1 69 69 PHE CB C 359 41.592 41.592 39.189 2.403 17490 7858 1 13 . 1 1 69 69 PHE H H 359 9.086 9.086 8.734 0.352 17490 7859 1 13 . 1 1 70 70 ARG N N 360 115.935 115.935 117.850 -1.915 17490 7860 1 13 . 1 1 70 70 ARG HA H 360 4.068 4.068 4.314 -0.246 17490 7861 1 13 . 1 1 70 70 ARG C C 360 175.099 175.099 174.854 0.245 17490 7862 1 13 . 1 1 70 70 ARG CA C 360 58.594 58.594 57.734 0.860 17490 7863 1 13 . 1 1 70 70 ARG CB C 360 30.664 30.664 31.365 -0.701 17490 7864 1 13 . 1 1 70 70 ARG H H 360 8.268 8.268 8.828 -0.560 17490 7865 1 13 . 1 1 71 71 ASP N N 361 113.892 113.892 114.319 -0.427 17490 7866 1 13 . 1 1 71 71 ASP HA H 361 4.880 4.880 4.846 0.034 17490 7867 1 13 . 1 1 71 71 ASP C C 361 176.087 176.087 176.257 -0.170 17490 7868 1 13 . 1 1 71 71 ASP CA C 361 53.329 53.329 53.191 0.138 17490 7869 1 13 . 1 1 71 71 ASP CB C 361 44.131 44.131 44.099 0.032 17490 7870 1 13 . 1 1 71 71 ASP H H 361 7.673 7.673 7.599 0.074 17490 7871 1 13 . 1 1 72 72 SER N N 362 118.590 118.590 120.688 -2.098 17490 7872 1 13 . 1 1 72 72 SER HA H 362 4.310 4.310 4.347 -0.037 17490 7873 1 13 . 1 1 72 72 SER C C 362 176.600 176.600 176.549 0.051 17490 7874 1 13 . 1 1 72 72 SER CA C 362 60.739 60.739 61.149 -0.410 17490 7875 1 13 . 1 1 72 72 SER CB C 362 62.872 62.872 62.954 -0.082 17490 7876 1 13 . 1 1 72 72 SER H H 362 9.103 9.103 8.736 0.367 17490 7877 1 13 . 1 1 73 73 LYS N N 363 125.872 125.872 121.565 4.307 17490 7878 1 13 . 1 1 73 73 LYS HA H 363 4.134 4.134 3.978 0.156 17490 7879 1 13 . 1 1 73 73 LYS C C 363 179.386 179.386 178.596 0.790 17490 7880 1 13 . 1 1 73 73 LYS CA C 363 59.283 59.283 59.376 -0.093 17490 7881 1 13 . 1 1 73 73 LYS CB C 363 31.491 31.491 32.215 -0.724 17490 7882 1 13 . 1 1 73 73 LYS H H 363 8.332 8.332 9.018 -0.686 17490 7883 1 13 . 1 1 74 74 PHE N N 364 123.145 123.145 119.142 4.003 17490 7884 1 13 . 1 1 74 74 PHE HA H 364 3.968 3.968 4.205 -0.237 17490 7885 1 13 . 1 1 74 74 PHE C C 364 177.819 177.819 176.327 1.492 17490 7886 1 13 . 1 1 74 74 PHE CA C 364 61.588 61.588 60.203 1.385 17490 7887 1 13 . 1 1 74 74 PHE CB C 364 39.963 39.963 39.136 0.827 17490 7888 1 13 . 1 1 74 74 PHE H H 364 8.482 8.482 7.662 0.820 17490 7889 1 13 . 1 1 75 75 ALA N N 365 119.451 119.451 122.098 -2.647 17490 7890 1 13 . 1 1 75 75 ALA HA H 365 3.396 3.396 3.692 -0.296 17490 7891 1 13 . 1 1 75 75 ALA C C 365 178.100 178.100 179.288 -1.188 17490 7892 1 13 . 1 1 75 75 ALA CA C 365 55.584 55.584 55.237 0.347 17490 7893 1 13 . 1 1 75 75 ALA CB C 365 18.265 18.265 18.087 0.178 17490 7894 1 13 . 1 1 75 75 ALA H H 365 7.835 7.835 8.060 -0.225 17490 7895 1 13 . 1 1 76 76 ALA N N 366 117.626 117.626 120.230 -2.604 17490 7896 1 13 . 1 1 76 76 ALA HA H 366 4.033 4.033 3.966 0.067 17490 7897 1 13 . 1 1 76 76 ALA C C 366 180.569 180.569 178.702 1.867 17490 7898 1 13 . 1 1 76 76 ALA CA C 366 54.996 54.996 54.744 0.252 17490 7899 1 13 . 1 1 76 76 ALA CB C 366 18.040 18.040 18.462 -0.422 17490 7900 1 13 . 1 1 76 76 ALA H H 366 7.680 7.680 7.891 -0.211 17490 7901 1 13 . 1 1 77 77 LYS N N 367 118.273 118.273 119.548 -1.275 17490 7902 1 13 . 1 1 77 77 LYS HA H 367 3.998 3.998 3.979 0.019 17490 7903 1 13 . 1 1 77 77 LYS C C 367 178.964 178.964 178.486 0.478 17490 7904 1 13 . 1 1 77 77 LYS CA C 367 58.803 58.803 59.126 -0.323 17490 7905 1 13 . 1 1 77 77 LYS CB C 367 32.106 32.106 32.401 -0.295 17490 7906 1 13 . 1 1 77 77 LYS H H 367 7.302 7.302 7.701 -0.399 17490 7907 1 13 . 1 1 78 78 MET N N 368 117.578 117.578 118.440 -0.862 17490 7908 1 13 . 1 1 78 78 MET HA H 368 4.273 4.273 4.008 0.265 17490 7909 1 13 . 1 1 78 78 MET C C 368 178.167 178.167 177.883 0.284 17490 7910 1 13 . 1 1 78 78 MET CA C 368 55.734 55.734 56.210 -0.476 17490 7911 1 13 . 1 1 78 78 MET CB C 368 32.382 32.382 31.538 0.844 17490 7912 1 13 . 1 1 78 78 MET H H 368 7.785 7.785 7.707 0.078 17490 7913 1 13 . 1 1 79 79 LEU N N 369 120.984 120.984 122.936 -1.952 17490 7914 1 13 . 1 1 79 79 LEU HA H 369 3.786 3.786 3.973 -0.187 17490 7915 1 13 . 1 1 79 79 LEU C C 369 179.060 179.060 178.584 0.476 17490 7916 1 13 . 1 1 79 79 LEU CA C 369 59.377 59.377 58.658 0.719 17490 7917 1 13 . 1 1 79 79 LEU CB C 369 42.354 42.354 41.898 0.456 17490 7918 1 13 . 1 1 79 79 LEU H H 369 8.197 8.197 7.911 0.286 17490 7919 1 13 . 1 1 80 80 MET N N 370 114.071 114.071 114.941 -0.870 17490 7920 1 13 . 1 1 80 80 MET HA H 370 4.277 4.277 4.186 0.091 17490 7921 1 13 . 1 1 80 80 MET C C 370 178.184 178.184 178.158 0.026 17490 7922 1 13 . 1 1 80 80 MET CA C 370 57.627 57.627 57.495 0.132 17490 7923 1 13 . 1 1 80 80 MET CB C 370 32.543 32.543 32.242 0.301 17490 7924 1 13 . 1 1 80 80 MET H H 370 7.018 7.018 7.698 -0.680 17490 7925 1 13 . 1 1 81 81 ILE N N 371 118.056 118.056 116.616 1.440 17490 7926 1 13 . 1 1 81 81 ILE HA H 371 3.885 3.885 3.872 0.013 17490 7927 1 13 . 1 1 81 81 ILE C C 371 177.491 177.491 177.890 -0.399 17490 7928 1 13 . 1 1 81 81 ILE CA C 371 63.571 63.571 62.922 0.649 17490 7929 1 13 . 1 1 81 81 ILE CB C 371 38.716 38.716 38.246 0.470 17490 7930 1 13 . 1 1 81 81 ILE H H 371 7.615 7.615 7.495 0.120 17490 7931 1 13 . 1 1 82 82 LEU N N 372 116.858 116.858 118.945 -2.087 17490 7932 1 13 . 1 1 82 82 LEU HA H 372 4.100 4.100 4.184 -0.084 17490 7933 1 13 . 1 1 82 82 LEU C C 372 178.360 178.360 177.433 0.927 17490 7934 1 13 . 1 1 82 82 LEU CA C 372 55.929 55.929 56.718 -0.789 17490 7935 1 13 . 1 1 82 82 LEU CB C 372 42.309 42.309 42.350 -0.041 17490 7936 1 13 . 1 1 82 82 LEU H H 372 8.160 8.160 8.170 -0.010 17490 7937 1 13 . 1 1 83 83 ASN N N 373 117.015 117.015 116.076 0.939 17490 7938 1 13 . 1 1 83 83 ASN HA H 373 4.348 4.348 4.563 -0.215 17490 7939 1 13 . 1 1 83 83 ASN C C 373 175.671 175.671 176.672 -1.001 17490 7940 1 13 . 1 1 83 83 ASN CA C 373 55.793 55.793 54.958 0.835 17490 7941 1 13 . 1 1 83 83 ASN CB C 373 38.434 38.434 38.804 -0.370 17490 7942 1 13 . 1 1 83 83 ASN H H 373 7.058 7.058 7.889 -0.831 17490 7943 1 13 . 1 1 84 84 GLY N N 374 116.878 116.878 106.820 10.058 17490 7944 1 13 . 1 1 84 84 GLY C C 374 174.602 174.602 174.289 0.313 17490 7945 1 13 . 1 1 84 84 GLY CA C 374 45.842 45.842 45.822 0.020 17490 7946 1 13 . 1 1 84 84 GLY H H 374 9.053 9.053 8.255 0.798 17490 7947 1 13 . 1 1 85 85 SER N N 375 116.615 116.615 115.349 1.266 17490 7948 1 13 . 1 1 85 85 SER HA H 375 4.407 4.407 4.685 -0.278 17490 7949 1 13 . 1 1 85 85 SER C C 375 171.580 171.580 173.673 -2.093 17490 7950 1 13 . 1 1 85 85 SER CA C 375 59.280 59.280 57.393 1.887 17490 7951 1 13 . 1 1 85 85 SER CB C 375 64.303 64.303 65.270 -0.967 17490 7952 1 13 . 1 1 85 85 SER H H 375 7.666 7.666 7.960 -0.294 17490 7953 1 13 . 1 1 86 86 GLN N N 376 117.824 117.824 120.312 -2.488 17490 7954 1 13 . 1 1 86 86 GLN HA H 376 4.893 4.893 5.222 -0.329 17490 7955 1 13 . 1 1 86 86 GLN C C 376 175.033 175.033 174.925 0.108 17490 7956 1 13 . 1 1 86 86 GLN CA C 376 54.885 54.885 55.018 -0.133 17490 7957 1 13 . 1 1 86 86 GLN CB C 376 30.733 30.733 30.209 0.524 17490 7958 1 13 . 1 1 86 86 GLN H H 376 8.381 8.381 8.655 -0.274 17490 7959 1 13 . 1 1 87 87 PHE N N 377 124.095 124.095 123.755 0.340 17490 7960 1 13 . 1 1 87 87 PHE HA H 377 4.472 4.472 4.812 -0.340 17490 7961 1 13 . 1 1 87 87 PHE C C 377 174.760 174.760 174.664 0.096 17490 7962 1 13 . 1 1 87 87 PHE CA C 377 56.009 56.009 57.064 -1.055 17490 7963 1 13 . 1 1 87 87 PHE CB C 377 41.519 41.519 42.579 -1.060 17490 7964 1 13 . 1 1 87 87 PHE H H 377 8.974 8.974 9.050 -0.076 17490 7965 1 13 . 1 1 88 88 GLN N N 378 126.108 126.108 123.441 2.667 17490 7966 1 13 . 1 1 88 88 GLN HA H 378 3.505 3.505 3.578 -0.073 17490 7967 1 13 . 1 1 88 88 GLN C C 378 176.162 176.162 175.403 0.759 17490 7968 1 13 . 1 1 88 88 GLN CA C 378 56.570 56.570 56.293 0.277 17490 7969 1 13 . 1 1 88 88 GLN CB C 378 26.070 26.070 27.082 -1.012 17490 7970 1 13 . 1 1 88 88 GLN H H 378 9.139 9.139 8.617 0.522 17490 7971 1 13 . 1 1 89 89 GLY N N 379 103.132 103.132 101.456 1.676 17490 7972 1 13 . 1 1 89 89 GLY C C 379 173.587 173.587 173.954 -0.367 17490 7973 1 13 . 1 1 89 89 GLY CA C 379 45.382 45.382 44.964 0.418 17490 7974 1 13 . 1 1 89 89 GLY H H 379 8.580 8.580 8.338 0.242 17490 7975 1 13 . 1 1 90 90 LYS N N 380 119.783 119.783 119.003 0.780 17490 7976 1 13 . 1 1 90 90 LYS HA H 380 4.697 4.697 4.590 0.107 17490 7977 1 13 . 1 1 90 90 LYS C C 380 174.500 174.500 174.587 -0.087 17490 7978 1 13 . 1 1 90 90 LYS CA C 380 54.019 54.019 54.589 -0.570 17490 7979 1 13 . 1 1 90 90 LYS CB C 380 35.919 35.919 36.246 -0.327 17490 7980 1 13 . 1 1 90 90 LYS H H 380 7.457 7.457 7.587 -0.130 17490 7981 1 13 . 1 1 91 91 VAL N N 381 121.517 121.517 120.085 1.432 17490 7982 1 13 . 1 1 91 91 VAL HA H 381 4.294 4.294 5.170 -0.876 17490 7983 1 13 . 1 1 91 91 VAL C C 381 176.729 176.729 176.397 0.332 17490 7984 1 13 . 1 1 91 91 VAL CA C 381 63.176 63.176 61.264 1.912 17490 7985 1 13 . 1 1 91 91 VAL CB C 381 32.073 32.073 32.846 -0.773 17490 7986 1 13 . 1 1 91 91 VAL H H 381 8.256 8.256 8.283 -0.027 17490 7987 1 13 . 1 1 92 92 ILE N N 382 124.746 124.746 123.446 1.300 17490 7988 1 13 . 1 1 92 92 ILE HA H 382 4.533 4.533 4.559 -0.026 17490 7989 1 13 . 1 1 92 92 ILE C C 382 173.501 173.501 174.293 -0.792 17490 7990 1 13 . 1 1 92 92 ILE CA C 382 59.249 59.249 59.501 -0.252 17490 7991 1 13 . 1 1 92 92 ILE CB C 382 41.995 41.995 40.223 1.772 17490 7992 1 13 . 1 1 92 92 ILE H H 382 8.788 8.788 8.724 0.064 17490 7993 1 13 . 1 1 93 93 ARG N N 383 119.723 119.723 122.435 -2.712 17490 7994 1 13 . 1 1 93 93 ARG HA H 383 4.608 4.608 4.766 -0.158 17490 7995 1 13 . 1 1 93 93 ARG C C 383 173.979 173.979 174.628 -0.649 17490 7996 1 13 . 1 1 93 93 ARG CA C 383 53.178 53.178 54.076 -0.898 17490 7997 1 13 . 1 1 93 93 ARG CB C 383 31.724 31.724 35.386 -3.662 17490 7998 1 13 . 1 1 93 93 ARG H H 383 8.500 8.500 8.289 0.211 17490 7999 1 13 . 1 1 94 94 SER N N 384 110.386 110.386 113.138 -2.752 17490 8000 1 13 . 1 1 94 94 SER HA H 384 5.685 5.685 5.151 0.534 17490 8001 1 13 . 1 1 94 94 SER C C 384 174.791 174.791 173.437 1.354 17490 8002 1 13 . 1 1 94 94 SER CA C 384 54.419 54.419 57.051 -2.632 17490 8003 1 13 . 1 1 94 94 SER CB C 384 67.147 67.147 66.626 0.521 17490 8004 1 13 . 1 1 94 94 SER H H 384 7.700 7.700 8.749 -1.049 17490 8005 1 13 . 1 1 95 95 GLY N N 385 106.738 106.738 107.104 -0.366 17490 8006 1 13 . 1 1 95 95 GLY C C 385 171.619 171.619 172.534 -0.915 17490 8007 1 13 . 1 1 95 95 GLY CA C 385 45.904 45.904 45.836 0.068 17490 8008 1 13 . 1 1 95 95 GLY H H 385 8.360 8.360 8.586 -0.226 17490 8009 1 13 . 1 1 96 96 THR N N 386 111.493 111.493 113.236 -1.743 17490 8010 1 13 . 1 1 96 96 THR HA H 386 4.604 4.604 4.635 -0.031 17490 8011 1 13 . 1 1 96 96 THR C C 386 175.600 175.600 176.223 -0.623 17490 8012 1 13 . 1 1 96 96 THR CA C 386 60.901 60.901 61.297 -0.396 17490 8013 1 13 . 1 1 96 96 THR CB C 386 71.709 71.709 70.669 1.040 17490 8014 1 13 . 1 1 96 96 THR H H 386 9.274 9.274 8.189 1.085 17490 8015 1 13 . 1 1 97 97 ILE N N 387 121.293 121.293 117.471 3.822 17490 8016 1 13 . 1 1 97 97 ILE HA H 387 3.881 3.881 4.075 -0.194 17490 8017 1 13 . 1 1 97 97 ILE C C 387 178.109 178.109 176.722 1.387 17490 8018 1 13 . 1 1 97 97 ILE CA C 387 65.826 65.826 63.373 2.453 17490 8019 1 13 . 1 1 97 97 ILE CB C 387 37.717 37.717 37.895 -0.178 17490 8020 1 13 . 1 1 97 97 ILE H H 387 9.339 9.339 8.177 1.162 17490 8021 1 13 . 1 1 98 98 ASN N N 388 117.358 117.358 119.089 -1.731 17490 8022 1 13 . 1 1 98 98 ASN HA H 388 4.224 4.224 4.445 -0.221 17490 8023 1 13 . 1 1 98 98 ASN C C 388 178.040 178.040 176.780 1.260 17490 8024 1 13 . 1 1 98 98 ASN CA C 388 56.205 56.205 56.132 0.073 17490 8025 1 13 . 1 1 98 98 ASN CB C 388 37.719 37.719 38.805 -1.086 17490 8026 1 13 . 1 1 98 98 ASN H H 388 8.162 8.162 7.875 0.287 17490 8027 1 13 . 1 1 99 99 ASP N N 389 121.336 121.336 120.250 1.086 17490 8028 1 13 . 1 1 99 99 ASP HA H 389 4.236 4.236 4.190 0.046 17490 8029 1 13 . 1 1 99 99 ASP C C 389 177.813 177.813 177.730 0.083 17490 8030 1 13 . 1 1 99 99 ASP CA C 389 57.639 57.639 56.968 0.671 17490 8031 1 13 . 1 1 99 99 ASP CB C 389 40.497 40.497 40.697 -0.200 17490 8032 1 13 . 1 1 99 99 ASP H H 389 7.865 7.865 8.503 -0.638 17490 8033 1 13 . 1 1 100 100 MET N N 390 122.932 122.932 117.334 5.598 17490 8034 1 13 . 1 1 100 100 MET HA H 390 4.499 4.499 4.520 -0.021 17490 8035 1 13 . 1 1 100 100 MET C C 390 178.081 178.081 177.868 0.213 17490 8036 1 13 . 1 1 100 100 MET CA C 390 58.402 58.402 59.246 -0.844 17490 8037 1 13 . 1 1 100 100 MET CB C 390 32.263 32.263 32.361 -0.098 17490 8038 1 13 . 1 1 100 100 MET H H 390 7.874 7.874 7.497 0.377 17490 8039 1 13 . 1 1 101 101 LYS N N 391 118.764 118.764 120.599 -1.835 17490 8040 1 13 . 1 1 101 101 LYS HA H 391 3.484 3.484 4.183 -0.699 17490 8041 1 13 . 1 1 101 101 LYS C C 391 178.102 178.102 179.304 -1.202 17490 8042 1 13 . 1 1 101 101 LYS CA C 391 60.070 60.070 59.914 0.156 17490 8043 1 13 . 1 1 101 101 LYS CB C 391 32.468 32.468 32.022 0.446 17490 8044 1 13 . 1 1 101 101 LYS H H 391 7.994 7.994 7.452 0.542 17490 8045 1 13 . 1 1 102 102 ARG N N 392 118.974 118.974 119.713 -0.739 17490 8046 1 13 . 1 1 102 102 ARG HA H 392 3.971 3.971 4.120 -0.149 17490 8047 1 13 . 1 1 102 102 ARG C C 392 178.433 178.433 179.007 -0.574 17490 8048 1 13 . 1 1 102 102 ARG CA C 392 59.485 59.485 58.645 0.840 17490 8049 1 13 . 1 1 102 102 ARG CB C 392 30.282 30.282 29.573 0.709 17490 8050 1 13 . 1 1 102 102 ARG H H 392 8.088 8.088 7.816 0.272 17490 8051 1 13 . 1 1 103 103 TYR N N 393 119.904 119.904 119.441 0.463 17490 8052 1 13 . 1 1 103 103 TYR HA H 393 4.017 4.017 4.067 -0.050 17490 8053 1 13 . 1 1 103 103 TYR C C 393 177.819 177.819 177.848 -0.029 17490 8054 1 13 . 1 1 103 103 TYR CA C 393 61.926 61.926 59.063 2.863 17490 8055 1 13 . 1 1 103 103 TYR CB C 393 39.373 39.373 37.037 2.336 17490 8056 1 13 . 1 1 103 103 TYR H H 393 8.058 8.058 7.971 0.087 17490 8057 1 13 . 1 1 104 104 TYR N N 394 119.418 119.418 121.073 -1.655 17490 8058 1 13 . 1 1 104 104 TYR HA H 394 4.167 4.167 4.378 -0.211 17490 8059 1 13 . 1 1 104 104 TYR C C 394 177.920 177.920 177.434 0.486 17490 8060 1 13 . 1 1 104 104 TYR CA C 394 61.764 61.764 59.929 1.835 17490 8061 1 13 . 1 1 104 104 TYR CB C 394 39.162 39.162 38.376 0.786 17490 8062 1 13 . 1 1 104 104 TYR H H 394 7.846 7.846 8.552 -0.706 17490 8063 1 13 . 1 1 105 105 ASN N N 395 117.373 117.373 118.030 -0.657 17490 8064 1 13 . 1 1 105 105 ASN HA H 395 4.414 4.414 3.986 0.428 17490 8065 1 13 . 1 1 105 105 ASN C C 395 176.906 176.906 177.310 -0.404 17490 8066 1 13 . 1 1 105 105 ASN CA C 395 55.691 55.691 56.774 -1.083 17490 8067 1 13 . 1 1 105 105 ASN CB C 395 38.472 38.472 38.037 0.435 17490 8068 1 13 . 1 1 105 105 ASN H H 395 8.499 8.499 8.143 0.356 17490 8069 1 13 . 1 1 106 106 ASN N N 396 118.101 118.101 117.935 0.166 17490 8070 1 13 . 1 1 106 106 ASN HA H 396 4.531 4.531 4.463 0.068 17490 8071 1 13 . 1 1 106 106 ASN C C 396 176.450 176.450 177.525 -1.075 17490 8072 1 13 . 1 1 106 106 ASN CA C 396 54.775 54.775 55.675 -0.900 17490 8073 1 13 . 1 1 106 106 ASN CB C 396 38.543 38.543 38.488 0.055 17490 8074 1 13 . 1 1 106 106 ASN H H 396 8.081 8.081 8.049 0.032 17490 8075 1 13 . 1 1 107 107 GLN N N 397 118.903 118.903 119.024 -0.121 17490 8076 1 13 . 1 1 107 107 GLN HA H 397 3.977 3.977 4.197 -0.220 17490 8077 1 13 . 1 1 107 107 GLN C C 397 176.907 176.907 178.174 -1.267 17490 8078 1 13 . 1 1 107 107 GLN CA C 397 56.815 56.815 57.984 -1.169 17490 8079 1 13 . 1 1 107 107 GLN CB C 397 28.610 28.610 28.625 -0.015 17490 8080 1 13 . 1 1 107 107 GLN H H 397 7.772 7.772 7.836 -0.064 17490 8081 1 13 . 1 1 108 108 GLN N N 398 118.101 118.101 117.134 0.967 17490 8082 1 13 . 1 1 108 108 GLN HA H 398 3.920 3.920 4.127 -0.207 17490 8083 1 13 . 1 1 108 108 GLN C C 398 176.321 176.321 176.789 -0.468 17490 8084 1 13 . 1 1 108 108 GLN CA C 398 56.554 56.554 57.265 -0.711 17490 8085 1 13 . 1 1 108 108 GLN CB C 398 28.650 28.650 29.117 -0.467 17490 8086 1 13 . 1 1 108 108 GLN H H 398 7.854 7.854 8.355 -0.501 17490 8087 1 14 . 1 1 3 3 LEU N N 293 125.082 125.082 124.773 0.309 17490 8088 1 14 . 1 1 3 3 LEU HA H 293 4.292 4.292 4.283 0.009 17490 8089 1 14 . 1 1 3 3 LEU C C 293 177.442 177.442 177.031 0.411 17490 8090 1 14 . 1 1 3 3 LEU CA C 293 55.523 55.523 54.097 1.426 17490 8091 1 14 . 1 1 3 3 LEU CB C 293 42.516 42.516 43.184 -0.668 17490 8092 1 14 . 1 1 3 3 LEU H H 293 8.321 8.321 8.181 0.140 17490 8093 1 14 . 1 1 4 4 GLU N N 294 122.906 122.906 126.420 -3.514 17490 8094 1 14 . 1 1 4 4 GLU HA H 294 4.069 4.069 3.795 0.274 17490 8095 1 14 . 1 1 4 4 GLU C C 294 177.158 177.158 178.552 -1.394 17490 8096 1 14 . 1 1 4 4 GLU CA C 294 58.307 58.307 60.094 -1.788 17490 8097 1 14 . 1 1 4 4 GLU CB C 294 29.676 29.676 29.511 0.165 17490 8098 1 14 . 1 1 4 4 GLU H H 294 8.521 8.521 8.827 -0.306 17490 8099 1 14 . 1 1 5 5 ARG N N 295 120.270 120.270 116.227 4.043 17490 8100 1 14 . 1 1 5 5 ARG HA H 295 4.131 4.131 4.085 0.046 17490 8101 1 14 . 1 1 5 5 ARG C C 295 177.768 177.768 178.893 -1.125 17490 8102 1 14 . 1 1 5 5 ARG CA C 295 58.082 58.082 58.993 -0.911 17490 8103 1 14 . 1 1 5 5 ARG CB C 295 30.192 30.192 29.507 0.685 17490 8104 1 14 . 1 1 5 5 ARG H H 295 8.327 8.327 8.522 -0.195 17490 8105 1 14 . 1 1 6 6 ASN N N 296 118.639 118.639 119.223 -0.584 17490 8106 1 14 . 1 1 6 6 ASN HA H 296 4.554 4.554 4.566 -0.012 17490 8107 1 14 . 1 1 6 6 ASN C C 296 176.830 176.830 177.719 -0.889 17490 8108 1 14 . 1 1 6 6 ASN CA C 296 54.901 54.901 56.253 -1.352 17490 8109 1 14 . 1 1 6 6 ASN CB C 296 38.115 38.115 38.353 -0.238 17490 8110 1 14 . 1 1 6 6 ASN H H 296 8.257 8.257 7.950 0.307 17490 8111 1 14 . 1 1 7 7 GLU N N 297 123.935 123.935 120.405 3.530 17490 8112 1 14 . 1 1 7 7 GLU HA H 297 4.266 4.266 4.127 0.139 17490 8113 1 14 . 1 1 7 7 GLU C C 297 178.102 178.102 179.042 -0.940 17490 8114 1 14 . 1 1 7 7 GLU CA C 297 58.897 58.897 59.722 -0.825 17490 8115 1 14 . 1 1 7 7 GLU CB C 297 29.814 29.814 29.362 0.452 17490 8116 1 14 . 1 1 7 7 GLU H H 297 8.185 8.185 7.955 0.230 17490 8117 1 14 . 1 1 8 8 VAL N N 298 118.916 118.916 120.546 -1.630 17490 8118 1 14 . 1 1 8 8 VAL HA H 298 3.399 3.399 3.646 -0.247 17490 8119 1 14 . 1 1 8 8 VAL C C 298 177.131 177.131 177.649 -0.518 17490 8120 1 14 . 1 1 8 8 VAL CA C 298 67.619 67.619 66.763 0.856 17490 8121 1 14 . 1 1 8 8 VAL CB C 298 32.041 32.041 31.407 0.634 17490 8122 1 14 . 1 1 8 8 VAL H H 298 8.095 8.095 8.602 -0.507 17490 8123 1 14 . 1 1 9 9 LYS N N 299 117.791 117.791 120.120 -2.329 17490 8124 1 14 . 1 1 9 9 LYS HA H 299 3.804 3.804 4.043 -0.239 17490 8125 1 14 . 1 1 9 9 LYS C C 299 179.259 179.259 178.567 0.692 17490 8126 1 14 . 1 1 9 9 LYS CA C 299 59.806 59.806 59.622 0.184 17490 8127 1 14 . 1 1 9 9 LYS CB C 299 32.290 32.290 32.358 -0.068 17490 8128 1 14 . 1 1 9 9 LYS H H 299 7.771 7.771 7.746 0.025 17490 8129 1 14 . 1 1 10 10 ARG N N 300 119.032 119.032 119.607 -0.575 17490 8130 1 14 . 1 1 10 10 ARG HA H 300 3.934 3.934 4.083 -0.149 17490 8131 1 14 . 1 1 10 10 ARG C C 300 179.680 179.680 179.026 0.654 17490 8132 1 14 . 1 1 10 10 ARG CA C 300 59.444 59.444 58.907 0.537 17490 8133 1 14 . 1 1 10 10 ARG CB C 300 30.190 30.190 29.911 0.279 17490 8134 1 14 . 1 1 10 10 ARG H H 300 7.834 7.834 8.245 -0.411 17490 8135 1 14 . 1 1 11 11 LEU N N 301 120.881 120.881 117.520 3.361 17490 8136 1 14 . 1 1 11 11 LEU HA H 301 3.890 3.890 4.146 -0.256 17490 8137 1 14 . 1 1 11 11 LEU C C 301 178.937 178.937 177.743 1.194 17490 8138 1 14 . 1 1 11 11 LEU CA C 301 58.067 58.067 56.562 1.505 17490 8139 1 14 . 1 1 11 11 LEU CB C 301 42.051 42.051 42.090 -0.039 17490 8140 1 14 . 1 1 11 11 LEU H H 301 8.147 8.147 8.094 0.053 17490 8141 1 14 . 1 1 12 12 LEU N N 302 116.294 116.294 118.624 -2.330 17490 8142 1 14 . 1 1 12 12 LEU HA H 302 3.874 3.874 4.030 -0.156 17490 8143 1 14 . 1 1 12 12 LEU C C 302 177.360 177.360 178.104 -0.744 17490 8144 1 14 . 1 1 12 12 LEU CA C 302 57.498 57.498 57.255 0.243 17490 8145 1 14 . 1 1 12 12 LEU CB C 302 41.506 41.506 42.676 -1.170 17490 8146 1 14 . 1 1 12 12 LEU H H 302 8.331 8.331 7.575 0.756 17490 8147 1 14 . 1 1 13 13 ALA N N 303 117.998 117.998 118.936 -0.938 17490 8148 1 14 . 1 1 13 13 ALA HA H 303 4.480 4.480 4.334 0.146 17490 8149 1 14 . 1 1 13 13 ALA C C 303 177.554 177.554 177.829 -0.275 17490 8150 1 14 . 1 1 13 13 ALA CA C 303 51.290 51.290 52.555 -1.265 17490 8151 1 14 . 1 1 13 13 ALA CB C 303 19.810 19.810 19.428 0.382 17490 8152 1 14 . 1 1 13 13 ALA H H 303 7.109 7.109 7.670 -0.561 17490 8153 1 14 . 1 1 14 14 SER N N 304 114.833 114.833 115.169 -0.336 17490 8154 1 14 . 1 1 14 14 SER HA H 304 4.175 4.175 4.221 -0.046 17490 8155 1 14 . 1 1 14 14 SER C C 304 175.762 175.762 174.604 1.158 17490 8156 1 14 . 1 1 14 14 SER CA C 304 59.344 59.344 59.785 -0.441 17490 8157 1 14 . 1 1 14 14 SER CB C 304 63.704 63.704 63.654 0.050 17490 8158 1 14 . 1 1 14 14 SER H H 304 7.265 7.265 7.886 -0.621 17490 8159 1 14 . 1 1 15 15 ARG N N 305 125.370 125.370 124.432 0.938 17490 8160 1 14 . 1 1 15 15 ARG HA H 305 4.555 4.555 4.308 0.247 17490 8161 1 14 . 1 1 15 15 ARG C C 305 175.442 175.442 176.085 -0.643 17490 8162 1 14 . 1 1 15 15 ARG CA C 305 54.847 54.847 56.008 -1.161 17490 8163 1 14 . 1 1 15 15 ARG CB C 305 30.415 30.415 30.626 -0.211 17490 8164 1 14 . 1 1 15 15 ARG H H 305 8.872 8.872 8.406 0.466 17490 8165 1 14 . 1 1 16 16 ASN N N 306 120.536 120.536 117.838 2.698 17490 8166 1 14 . 1 1 16 16 ASN HA H 306 4.774 4.774 4.697 0.077 17490 8167 1 14 . 1 1 16 16 ASN C C 306 175.146 175.146 176.228 -1.082 17490 8168 1 14 . 1 1 16 16 ASN CA C 306 52.434 52.434 52.869 -0.435 17490 8169 1 14 . 1 1 16 16 ASN CB C 306 38.294 38.294 38.138 0.156 17490 8170 1 14 . 1 1 16 16 ASN H H 306 8.367 8.367 7.970 0.397 17490 8171 1 14 . 1 1 17 17 SER N N 307 121.694 121.694 122.325 -0.631 17490 8172 1 14 . 1 1 17 17 SER HA H 307 4.090 4.090 4.325 -0.235 17490 8173 1 14 . 1 1 17 17 SER C C 307 175.970 175.970 175.394 0.576 17490 8174 1 14 . 1 1 17 17 SER CA C 307 61.484 61.484 60.134 1.350 17490 8175 1 14 . 1 1 17 17 SER CB C 307 62.850 62.850 63.057 -0.207 17490 8176 1 14 . 1 1 17 17 SER H H 307 8.656 8.656 8.652 0.004 17490 8177 1 14 . 1 1 18 18 LYS N N 308 120.961 120.961 122.521 -1.560 17490 8178 1 14 . 1 1 18 18 LYS HA H 308 4.115 4.115 4.328 -0.213 17490 8179 1 14 . 1 1 18 18 LYS C C 308 178.999 178.999 178.231 0.768 17490 8180 1 14 . 1 1 18 18 LYS CA C 308 58.606 58.606 58.925 -0.319 17490 8181 1 14 . 1 1 18 18 LYS CB C 308 31.614 31.614 32.397 -0.783 17490 8182 1 14 . 1 1 18 18 LYS H H 308 8.060 8.060 7.731 0.329 17490 8183 1 14 . 1 1 19 19 GLU N N 309 118.377 118.377 119.797 -1.420 17490 8184 1 14 . 1 1 19 19 GLU HA H 309 4.198 4.198 4.260 -0.062 17490 8185 1 14 . 1 1 19 19 GLU C C 309 178.136 178.136 178.431 -0.295 17490 8186 1 14 . 1 1 19 19 GLU CA C 309 57.939 57.939 59.072 -1.133 17490 8187 1 14 . 1 1 19 19 GLU CB C 309 30.115 30.115 29.939 0.176 17490 8188 1 14 . 1 1 19 19 GLU H H 309 7.520 7.520 7.618 -0.098 17490 8189 1 14 . 1 1 20 20 LEU N N 310 118.101 118.101 117.056 1.045 17490 8190 1 14 . 1 1 20 20 LEU HA H 310 4.168 4.168 4.188 -0.020 17490 8191 1 14 . 1 1 20 20 LEU C C 310 179.112 179.112 178.055 1.057 17490 8192 1 14 . 1 1 20 20 LEU CA C 310 56.583 56.583 56.684 -0.101 17490 8193 1 14 . 1 1 20 20 LEU CB C 310 41.611 41.611 41.215 0.396 17490 8194 1 14 . 1 1 20 20 LEU H H 310 7.741 7.741 7.420 0.321 17490 8195 1 14 . 1 1 21 21 GLU N N 311 116.130 116.130 119.619 -3.489 17490 8196 1 14 . 1 1 21 21 GLU HA H 311 4.342 4.342 4.137 0.205 17490 8197 1 14 . 1 1 21 21 GLU C C 311 176.928 176.928 179.006 -2.078 17490 8198 1 14 . 1 1 21 21 GLU CA C 311 58.216 58.216 58.675 -0.459 17490 8199 1 14 . 1 1 21 21 GLU CB C 311 29.608 29.608 29.788 -0.180 17490 8200 1 14 . 1 1 21 21 GLU H H 311 7.747 7.747 7.959 -0.212 17490 8201 1 14 . 1 1 22 22 THR N N 312 106.131 106.131 117.490 -11.359 17490 8202 1 14 . 1 1 22 22 THR HA H 312 4.182 4.182 4.026 0.156 17490 8203 1 14 . 1 1 22 22 THR C C 312 172.032 172.032 175.649 -3.617 17490 8204 1 14 . 1 1 22 22 THR CA C 312 61.539 61.539 65.826 -4.287 17490 8205 1 14 . 1 1 22 22 THR CB C 312 69.426 69.426 69.195 0.231 17490 8206 1 14 . 1 1 22 22 THR H H 312 7.446 7.446 7.817 -0.371 17490 8207 1 14 . 1 1 23 23 LEU N N 313 120.178 120.178 116.410 3.768 17490 8208 1 14 . 1 1 23 23 LEU HA H 313 5.869 5.869 4.951 0.918 17490 8209 1 14 . 1 1 23 23 LEU C C 313 175.604 175.604 175.101 0.503 17490 8210 1 14 . 1 1 23 23 LEU CA C 313 52.838 52.838 54.233 -1.395 17490 8211 1 14 . 1 1 23 23 LEU CB C 313 46.851 46.851 44.720 2.131 17490 8212 1 14 . 1 1 23 23 LEU H H 313 7.538 7.538 8.035 -0.497 17490 8213 1 14 . 1 1 24 24 ILE N N 314 113.990 113.990 109.665 4.325 17490 8214 1 14 . 1 1 24 24 ILE HA H 314 4.717 4.717 4.583 0.134 17490 8215 1 14 . 1 1 24 24 ILE C C 314 173.530 173.530 173.618 -0.088 17490 8216 1 14 . 1 1 24 24 ILE CA C 314 59.368 59.368 59.504 -0.136 17490 8217 1 14 . 1 1 24 24 ILE CB C 314 42.319 42.319 41.368 0.951 17490 8218 1 14 . 1 1 24 24 ILE H H 314 8.904 8.904 8.387 0.517 17490 8219 1 14 . 1 1 25 25 CYS N N 315 117.755 117.755 119.092 -1.337 17490 8220 1 14 . 1 1 25 25 CYS HA H 315 5.914 5.914 5.365 0.549 17490 8221 1 14 . 1 1 25 25 CYS C C 315 174.153 174.153 174.494 -0.341 17490 8222 1 14 . 1 1 25 25 CYS CA C 315 57.187 57.187 57.003 0.184 17490 8223 1 14 . 1 1 25 25 CYS CB C 315 31.754 31.754 28.022 3.732 17490 8224 1 14 . 1 1 25 25 CYS H H 315 9.021 9.021 9.019 0.002 17490 8225 1 14 . 1 1 26 26 LEU N N 316 119.952 119.952 126.252 -6.300 17490 8226 1 14 . 1 1 26 26 LEU HA H 316 5.363 5.363 4.744 0.619 17490 8227 1 14 . 1 1 26 26 LEU C C 316 176.015 176.015 175.640 0.375 17490 8228 1 14 . 1 1 26 26 LEU CA C 316 53.072 53.072 55.334 -2.262 17490 8229 1 14 . 1 1 26 26 LEU CB C 316 45.891 45.891 42.940 2.951 17490 8230 1 14 . 1 1 26 26 LEU H H 316 8.778 8.778 9.104 -0.326 17490 8231 1 14 . 1 1 27 27 PHE N N 317 116.116 116.116 122.922 -6.806 17490 8232 1 14 . 1 1 27 27 PHE HA H 317 4.158 4.158 5.037 -0.879 17490 8233 1 14 . 1 1 27 27 PHE CA C 317 55.594 55.594 54.073 1.521 17490 8234 1 14 . 1 1 27 27 PHE CB C 317 37.765 37.765 39.425 -1.661 17490 8235 1 14 . 1 1 27 27 PHE H H 317 7.827 7.827 9.016 -1.189 17490 8236 1 14 . 1 1 28 28 PRO HA H 318 5.322 5.322 4.707 0.615 17490 8237 1 14 . 1 1 28 28 PRO C C 318 175.163 175.163 174.996 0.167 17490 8238 1 14 . 1 1 28 28 PRO CA C 318 61.657 61.657 62.062 -0.404 17490 8239 1 14 . 1 1 28 28 PRO CB C 318 34.356 34.356 30.759 3.598 17490 8240 1 14 . 1 1 29 29 LEU N N 319 120.206 120.206 115.711 4.495 17490 8241 1 14 . 1 1 29 29 LEU HA H 319 4.674 4.674 4.629 0.045 17490 8242 1 14 . 1 1 29 29 LEU C C 319 176.806 176.806 175.860 0.946 17490 8243 1 14 . 1 1 29 29 LEU CA C 319 52.817 52.817 53.867 -1.050 17490 8244 1 14 . 1 1 29 29 LEU CB C 319 45.029 45.029 45.007 0.022 17490 8245 1 14 . 1 1 29 29 LEU H H 319 8.365 8.365 7.329 1.036 17490 8246 1 14 . 1 1 30 30 SER N N 320 117.220 117.220 116.947 0.273 17490 8247 1 14 . 1 1 30 30 SER HA H 320 4.475 4.475 4.445 0.030 17490 8248 1 14 . 1 1 30 30 SER C C 320 174.677 174.677 175.624 -0.947 17490 8249 1 14 . 1 1 30 30 SER CA C 320 57.768 57.768 57.961 -0.193 17490 8250 1 14 . 1 1 30 30 SER CB C 320 64.118 64.118 64.196 -0.078 17490 8251 1 14 . 1 1 30 30 SER H H 320 8.652 8.652 8.363 0.289 17490 8252 1 14 . 1 1 31 31 ASP N N 321 121.514 121.514 120.550 0.964 17490 8253 1 14 . 1 1 31 31 ASP HA H 321 4.471 4.471 4.595 -0.124 17490 8254 1 14 . 1 1 31 31 ASP C C 321 176.811 176.811 176.285 0.526 17490 8255 1 14 . 1 1 31 31 ASP CA C 321 55.388 55.388 55.462 -0.074 17490 8256 1 14 . 1 1 31 31 ASP CB C 321 40.060 40.060 40.748 -0.688 17490 8257 1 14 . 1 1 31 31 ASP H H 321 8.587 8.587 8.669 -0.082 17490 8258 1 14 . 1 1 32 32 LYS N N 322 117.990 117.990 119.083 -1.093 17490 8259 1 14 . 1 1 32 32 LYS HA H 322 4.331 4.331 4.419 -0.088 17490 8260 1 14 . 1 1 32 32 LYS C C 322 176.804 176.804 175.497 1.307 17490 8261 1 14 . 1 1 32 32 LYS CA C 322 55.545 55.545 55.821 -0.276 17490 8262 1 14 . 1 1 32 32 LYS CB C 322 31.942 31.942 32.991 -1.049 17490 8263 1 14 . 1 1 32 32 LYS H H 322 8.053 8.053 8.102 -0.049 17490 8264 1 14 . 1 1 33 33 VAL N N 323 119.570 119.570 116.605 2.965 17490 8265 1 14 . 1 1 33 33 VAL HA H 323 3.922 3.922 4.510 -0.588 17490 8266 1 14 . 1 1 33 33 VAL C C 323 173.362 173.362 175.391 -2.029 17490 8267 1 14 . 1 1 33 33 VAL CA C 323 63.294 63.294 60.208 3.086 17490 8268 1 14 . 1 1 33 33 VAL CB C 323 32.410 32.410 33.407 -0.998 17490 8269 1 14 . 1 1 33 33 VAL H H 323 7.333 7.333 7.663 -0.330 17490 8270 1 14 . 1 1 34 34 SER N N 324 118.908 118.908 115.539 3.369 17490 8271 1 14 . 1 1 34 34 SER HA H 324 5.104 5.104 4.833 0.271 17490 8272 1 14 . 1 1 34 34 SER CA C 324 55.114 55.114 56.013 -0.899 17490 8273 1 14 . 1 1 34 34 SER CB C 324 64.522 64.522 65.052 -0.530 17490 8274 1 14 . 1 1 34 34 SER H H 324 7.099 7.099 8.158 -1.059 17490 8275 1 14 . 1 1 35 35 PRO HA H 325 4.038 4.038 4.075 -0.037 17490 8276 1 14 . 1 1 35 35 PRO C C 325 178.107 178.107 178.527 -0.420 17490 8277 1 14 . 1 1 35 35 PRO CA C 325 66.275 66.275 65.793 0.482 17490 8278 1 14 . 1 1 35 35 PRO CB C 325 31.873 31.873 31.836 0.037 17490 8279 1 14 . 1 1 36 36 SER N N 326 111.480 111.480 112.890 -1.410 17490 8280 1 14 . 1 1 36 36 SER HA H 326 4.179 4.179 4.248 -0.070 17490 8281 1 14 . 1 1 36 36 SER C C 326 176.897 176.897 176.902 -0.005 17490 8282 1 14 . 1 1 36 36 SER CA C 326 61.731 61.731 61.601 0.130 17490 8283 1 14 . 1 1 36 36 SER CB C 326 62.211 62.211 62.601 -0.390 17490 8284 1 14 . 1 1 36 36 SER H H 326 8.172 8.172 8.489 -0.317 17490 8285 1 14 . 1 1 37 37 LEU N N 327 123.898 123.898 122.653 1.245 17490 8286 1 14 . 1 1 37 37 LEU HA H 327 4.311 4.311 4.038 0.273 17490 8287 1 14 . 1 1 37 37 LEU C C 327 180.292 180.292 178.898 1.394 17490 8288 1 14 . 1 1 37 37 LEU CA C 327 57.921 57.921 57.524 0.397 17490 8289 1 14 . 1 1 37 37 LEU CB C 327 42.694 42.694 41.574 1.120 17490 8290 1 14 . 1 1 37 37 LEU H H 327 7.751 7.751 7.417 0.334 17490 8291 1 14 . 1 1 38 38 ILE N N 328 119.411 119.411 120.374 -0.963 17490 8292 1 14 . 1 1 38 38 ILE HA H 328 3.627 3.627 3.720 -0.093 17490 8293 1 14 . 1 1 38 38 ILE C C 328 176.884 176.884 178.316 -1.432 17490 8294 1 14 . 1 1 38 38 ILE CA C 328 65.153 65.153 66.304 -1.151 17490 8295 1 14 . 1 1 38 38 ILE CB C 328 37.446 37.446 38.008 -0.562 17490 8296 1 14 . 1 1 38 38 ILE H H 328 7.636 7.636 7.612 0.024 17490 8297 1 14 . 1 1 39 39 CYS N N 329 120.430 120.430 117.864 2.566 17490 8298 1 14 . 1 1 39 39 CYS HA H 329 3.743 3.743 3.873 -0.130 17490 8299 1 14 . 1 1 39 39 CYS C C 329 176.205 176.205 177.007 -0.802 17490 8300 1 14 . 1 1 39 39 CYS CA C 329 63.564 63.564 64.141 -0.577 17490 8301 1 14 . 1 1 39 39 CYS CB C 329 26.285 26.285 27.342 -1.057 17490 8302 1 14 . 1 1 39 39 CYS H H 329 8.640 8.640 7.567 1.073 17490 8303 1 14 . 1 1 40 40 GLN N N 330 118.263 118.263 119.453 -1.190 17490 8304 1 14 . 1 1 40 40 GLN HA H 330 4.099 4.099 3.993 0.106 17490 8305 1 14 . 1 1 40 40 GLN C C 330 177.445 177.445 178.382 -0.937 17490 8306 1 14 . 1 1 40 40 GLN CA C 330 59.496 59.496 58.560 0.936 17490 8307 1 14 . 1 1 40 40 GLN CB C 330 28.469 28.469 27.931 0.538 17490 8308 1 14 . 1 1 40 40 GLN H H 330 8.213 8.213 8.110 0.103 17490 8309 1 14 . 1 1 41 41 PHE N N 331 121.411 121.411 120.607 0.804 17490 8310 1 14 . 1 1 41 41 PHE HA H 331 4.661 4.661 4.108 0.553 17490 8311 1 14 . 1 1 41 41 PHE C C 331 177.475 177.475 177.594 -0.119 17490 8312 1 14 . 1 1 41 41 PHE CA C 331 60.181 60.181 61.142 -0.961 17490 8313 1 14 . 1 1 41 41 PHE CB C 331 39.561 39.561 38.883 0.678 17490 8314 1 14 . 1 1 41 41 PHE H H 331 7.806 7.806 8.075 -0.269 17490 8315 1 14 . 1 1 42 42 LEU N N 332 119.016 119.016 120.303 -1.287 17490 8316 1 14 . 1 1 42 42 LEU HA H 332 3.508 3.508 3.792 -0.284 17490 8317 1 14 . 1 1 42 42 LEU C C 332 178.495 178.495 178.981 -0.486 17490 8318 1 14 . 1 1 42 42 LEU CA C 332 57.545 57.545 58.840 -1.295 17490 8319 1 14 . 1 1 42 42 LEU CB C 332 40.880 40.880 41.701 -0.821 17490 8320 1 14 . 1 1 42 42 LEU H H 332 8.436 8.436 8.104 0.332 17490 8321 1 14 . 1 1 43 43 GLN N N 333 116.210 116.210 117.169 -0.959 17490 8322 1 14 . 1 1 43 43 GLN HA H 333 4.590 4.590 4.192 0.398 17490 8323 1 14 . 1 1 43 43 GLN C C 333 178.499 178.499 178.921 -0.422 17490 8324 1 14 . 1 1 43 43 GLN CA C 333 58.875 58.875 58.618 0.257 17490 8325 1 14 . 1 1 43 43 GLN CB C 333 30.846 30.846 28.432 2.414 17490 8326 1 14 . 1 1 43 43 GLN H H 333 8.236 8.236 8.418 -0.182 17490 8327 1 14 . 1 1 44 44 GLU N N 334 117.050 117.050 120.011 -2.961 17490 8328 1 14 . 1 1 44 44 GLU HA H 334 4.116 4.116 4.111 0.005 17490 8329 1 14 . 1 1 44 44 GLU C C 334 177.407 177.407 177.998 -0.591 17490 8330 1 14 . 1 1 44 44 GLU CA C 334 58.756 58.756 59.056 -0.300 17490 8331 1 14 . 1 1 44 44 GLU CB C 334 30.518 30.518 29.733 0.785 17490 8332 1 14 . 1 1 44 44 GLU H H 334 8.926 8.926 8.317 0.609 17490 8333 1 14 . 1 1 45 45 GLU N N 335 114.950 114.950 116.980 -2.030 17490 8334 1 14 . 1 1 45 45 GLU HA H 335 4.354 4.354 4.204 0.150 17490 8335 1 14 . 1 1 45 45 GLU C C 335 176.873 176.873 178.462 -1.589 17490 8336 1 14 . 1 1 45 45 GLU CA C 335 57.018 57.018 56.860 0.158 17490 8337 1 14 . 1 1 45 45 GLU CB C 335 29.537 29.537 30.485 -0.948 17490 8338 1 14 . 1 1 45 45 GLU H H 335 8.054 8.054 7.795 0.259 17490 8339 1 14 . 1 1 46 46 ILE N N 336 115.649 115.649 117.782 -2.133 17490 8340 1 14 . 1 1 46 46 ILE HA H 336 3.895 3.895 4.028 -0.133 17490 8341 1 14 . 1 1 46 46 ILE C C 336 175.873 175.873 175.518 0.355 17490 8342 1 14 . 1 1 46 46 ILE CA C 336 58.097 58.097 61.732 -3.635 17490 8343 1 14 . 1 1 46 46 ILE CB C 336 35.077 35.077 38.549 -3.472 17490 8344 1 14 . 1 1 46 46 ILE H H 336 6.749 6.749 7.601 -0.852 17490 8345 1 14 . 1 1 47 47 HIS N N 337 111.685 111.685 116.368 -4.683 17490 8346 1 14 . 1 1 47 47 HIS HA H 337 4.520 4.520 4.371 0.149 17490 8347 1 14 . 1 1 47 47 HIS C C 337 174.787 174.787 174.230 0.557 17490 8348 1 14 . 1 1 47 47 HIS CA C 337 56.387 56.387 56.109 0.278 17490 8349 1 14 . 1 1 47 47 HIS CB C 337 24.947 24.947 27.815 -2.868 17490 8350 1 14 . 1 1 47 47 HIS H H 337 6.652 6.652 7.692 -1.040 17490 8351 1 14 . 1 1 48 48 ILE N N 338 118.069 118.069 119.928 -1.859 17490 8352 1 14 . 1 1 48 48 ILE HA H 338 4.433 4.433 3.782 0.651 17490 8353 1 14 . 1 1 48 48 ILE C C 338 175.031 175.031 174.735 0.296 17490 8354 1 14 . 1 1 48 48 ILE CA C 338 60.737 60.737 62.945 -2.208 17490 8355 1 14 . 1 1 48 48 ILE CB C 338 38.861 38.861 38.080 0.781 17490 8356 1 14 . 1 1 48 48 ILE H H 338 7.963 7.963 7.403 0.560 17490 8357 1 14 . 1 1 49 49 ASN N N 339 123.991 123.991 122.250 1.741 17490 8358 1 14 . 1 1 49 49 ASN HA H 339 4.691 4.691 4.777 -0.086 17490 8359 1 14 . 1 1 49 49 ASN C C 339 176.381 176.381 174.729 1.652 17490 8360 1 14 . 1 1 49 49 ASN CA C 339 53.296 53.296 51.566 1.730 17490 8361 1 14 . 1 1 49 49 ASN CB C 339 40.570 40.570 39.456 1.114 17490 8362 1 14 . 1 1 49 49 ASN H H 339 9.222 9.222 7.792 1.430 17490 8363 1 14 . 1 1 50 50 GLU N N 340 125.549 125.549 115.507 10.042 17490 8364 1 14 . 1 1 50 50 GLU HA H 340 3.792 3.792 4.065 -0.273 17490 8365 1 14 . 1 1 50 50 GLU C C 340 177.988 177.988 176.717 1.271 17490 8366 1 14 . 1 1 50 50 GLU CA C 340 59.807 59.807 58.347 1.460 17490 8367 1 14 . 1 1 50 50 GLU CB C 340 29.143 29.143 29.429 -0.286 17490 8368 1 14 . 1 1 50 50 GLU H H 340 8.971 8.971 8.742 0.229 17490 8369 1 14 . 1 1 51 51 LYS N N 341 116.019 116.019 116.471 -0.452 17490 8370 1 14 . 1 1 51 51 LYS HA H 341 4.117 4.117 4.296 -0.179 17490 8371 1 14 . 1 1 51 51 LYS C C 341 177.283 177.283 176.926 0.357 17490 8372 1 14 . 1 1 51 51 LYS CA C 341 57.718 57.718 57.184 0.534 17490 8373 1 14 . 1 1 51 51 LYS CB C 341 31.650 31.650 32.782 -1.131 17490 8374 1 14 . 1 1 51 51 LYS H H 341 8.424 8.424 7.663 0.761 17490 8375 1 14 . 1 1 52 52 ASP N N 342 117.576 117.576 117.371 0.205 17490 8376 1 14 . 1 1 52 52 ASP HA H 342 4.444 4.444 4.845 -0.401 17490 8377 1 14 . 1 1 52 52 ASP C C 342 175.454 175.454 175.100 0.354 17490 8378 1 14 . 1 1 52 52 ASP CA C 342 56.002 56.002 54.789 1.213 17490 8379 1 14 . 1 1 52 52 ASP CB C 342 41.937 41.937 42.895 -0.959 17490 8380 1 14 . 1 1 52 52 ASP H H 342 7.908 7.908 8.071 -0.163 17490 8381 1 14 . 1 1 53 53 ILE N N 343 120.515 120.515 118.222 2.293 17490 8382 1 14 . 1 1 53 53 ILE HA H 343 3.875 3.875 4.680 -0.805 17490 8383 1 14 . 1 1 53 53 ILE C C 343 174.966 174.966 175.682 -0.716 17490 8384 1 14 . 1 1 53 53 ILE CA C 343 61.101 61.101 58.261 2.840 17490 8385 1 14 . 1 1 53 53 ILE CB C 343 39.931 39.931 39.621 0.310 17490 8386 1 14 . 1 1 53 53 ILE H H 343 7.480 7.480 7.438 0.042 17490 8387 1 14 . 1 1 54 54 ARG N N 344 125.353 125.353 124.612 0.741 17490 8388 1 14 . 1 1 54 54 ARG HA H 344 4.291 4.291 4.227 0.064 17490 8389 1 14 . 1 1 54 54 ARG C C 344 176.642 176.642 176.250 0.392 17490 8390 1 14 . 1 1 54 54 ARG CA C 344 57.550 57.550 57.894 -0.344 17490 8391 1 14 . 1 1 54 54 ARG CB C 344 30.848 30.848 31.293 -0.445 17490 8392 1 14 . 1 1 54 54 ARG H H 344 9.063 9.063 9.032 0.031 17490 8393 1 14 . 1 1 55 55 LYS N N 345 116.212 116.212 115.197 1.015 17490 8394 1 14 . 1 1 55 55 LYS HA H 345 4.417 4.417 4.342 0.075 17490 8395 1 14 . 1 1 55 55 LYS C C 345 173.004 173.004 173.419 -0.415 17490 8396 1 14 . 1 1 55 55 LYS CA C 345 55.873 55.873 56.287 -0.414 17490 8397 1 14 . 1 1 55 55 LYS CB C 345 36.582 36.582 35.149 1.433 17490 8398 1 14 . 1 1 55 55 LYS H H 345 7.569 7.569 7.589 -0.020 17490 8399 1 14 . 1 1 56 56 ILE N N 346 122.685 122.685 123.996 -1.311 17490 8400 1 14 . 1 1 56 56 ILE HA H 346 4.731 4.731 4.944 -0.213 17490 8401 1 14 . 1 1 56 56 ILE C C 346 174.163 174.163 173.697 0.466 17490 8402 1 14 . 1 1 56 56 ILE CA C 346 60.843 60.843 59.340 1.503 17490 8403 1 14 . 1 1 56 56 ILE CB C 346 40.816 40.816 39.825 0.991 17490 8404 1 14 . 1 1 56 56 ILE H H 346 8.229 8.229 8.314 -0.085 17490 8405 1 14 . 1 1 57 57 LEU N N 347 126.095 126.095 128.628 -2.533 17490 8406 1 14 . 1 1 57 57 LEU HA H 347 4.775 4.775 4.777 -0.002 17490 8407 1 14 . 1 1 57 57 LEU C C 347 175.764 175.764 175.177 0.587 17490 8408 1 14 . 1 1 57 57 LEU CA C 347 52.746 52.746 53.436 -0.690 17490 8409 1 14 . 1 1 57 57 LEU CB C 347 45.364 45.364 45.020 0.344 17490 8410 1 14 . 1 1 57 57 LEU H H 347 9.279 9.279 8.859 0.420 17490 8411 1 14 . 1 1 58 58 LEU N N 348 122.946 122.946 122.557 0.389 17490 8412 1 14 . 1 1 58 58 LEU HA H 348 4.338 4.338 4.491 -0.153 17490 8413 1 14 . 1 1 58 58 LEU C C 348 176.476 176.476 176.333 0.143 17490 8414 1 14 . 1 1 58 58 LEU CA C 348 55.221 55.221 54.267 0.954 17490 8415 1 14 . 1 1 58 58 LEU CB C 348 41.496 41.496 42.651 -1.155 17490 8416 1 14 . 1 1 58 58 LEU H H 348 8.925 8.925 8.948 -0.023 17490 8417 1 14 . 1 1 59 59 VAL N N 349 123.378 123.378 126.695 -3.317 17490 8418 1 14 . 1 1 59 59 VAL HA H 349 4.385 4.385 4.496 -0.111 17490 8419 1 14 . 1 1 59 59 VAL C C 349 176.335 176.335 174.982 1.353 17490 8420 1 14 . 1 1 59 59 VAL CA C 349 59.595 59.595 61.672 -2.077 17490 8421 1 14 . 1 1 59 59 VAL CB C 349 31.100 31.100 30.369 0.732 17490 8422 1 14 . 1 1 59 59 VAL H H 349 8.637 8.637 8.169 0.468 17490 8423 1 14 . 1 1 60 60 SER N N 350 124.152 124.152 118.064 6.088 17490 8424 1 14 . 1 1 60 60 SER HA H 350 3.907 3.907 4.669 -0.762 17490 8425 1 14 . 1 1 60 60 SER C C 350 177.518 177.518 174.300 3.218 17490 8426 1 14 . 1 1 60 60 SER CA C 350 62.261 62.261 58.565 3.696 17490 8427 1 14 . 1 1 60 60 SER CB C 350 62.301 62.301 63.732 -1.431 17490 8428 1 14 . 1 1 60 60 SER H H 350 8.755 8.755 8.604 0.151 17490 8429 1 14 . 1 1 61 61 ASP N N 351 119.224 119.224 122.016 -2.792 17490 8430 1 14 . 1 1 61 61 ASP HA H 351 3.964 3.964 4.499 -0.535 17490 8431 1 14 . 1 1 61 61 ASP C C 351 174.721 174.721 174.086 0.635 17490 8432 1 14 . 1 1 61 61 ASP CA C 351 56.162 56.162 53.704 2.458 17490 8433 1 14 . 1 1 61 61 ASP CB C 351 40.102 40.102 40.211 -0.109 17490 8434 1 14 . 1 1 61 61 ASP H H 351 9.011 9.011 8.268 0.743 17490 8435 1 14 . 1 1 62 62 PHE N N 352 110.179 110.179 113.110 -2.931 17490 8436 1 14 . 1 1 62 62 PHE HA H 352 3.983 3.983 4.570 -0.587 17490 8437 1 14 . 1 1 62 62 PHE C C 352 173.268 173.268 173.857 -0.589 17490 8438 1 14 . 1 1 62 62 PHE CA C 352 56.221 56.221 55.563 0.658 17490 8439 1 14 . 1 1 62 62 PHE CB C 352 39.789 39.789 37.125 2.664 17490 8440 1 14 . 1 1 62 62 PHE H H 352 6.702 6.702 7.186 -0.484 17490 8441 1 14 . 1 1 63 63 ASN N N 353 114.980 114.980 118.831 -3.851 17490 8442 1 14 . 1 1 63 63 ASN HA H 353 4.665 4.665 4.325 0.340 17490 8443 1 14 . 1 1 63 63 ASN C C 353 174.360 174.360 174.314 0.046 17490 8444 1 14 . 1 1 63 63 ASN CA C 353 54.158 54.158 54.639 -0.480 17490 8445 1 14 . 1 1 63 63 ASN CB C 353 37.889 37.889 36.944 0.945 17490 8446 1 14 . 1 1 63 63 ASN H H 353 7.708 7.708 8.321 -0.613 17490 8447 1 14 . 1 1 64 64 GLY N N 354 102.117 102.117 105.686 -3.569 17490 8448 1 14 . 1 1 64 64 GLY C C 354 173.093 173.093 171.571 1.522 17490 8449 1 14 . 1 1 64 64 GLY CA C 354 45.413 45.413 45.182 0.230 17490 8450 1 14 . 1 1 64 64 GLY H H 354 7.722 7.722 8.150 -0.428 17490 8451 1 14 . 1 1 65 65 ALA N N 355 120.262 120.262 121.704 -1.442 17490 8452 1 14 . 1 1 65 65 ALA HA H 355 5.055 5.055 4.977 0.078 17490 8453 1 14 . 1 1 65 65 ALA C C 355 174.731 174.731 175.018 -0.287 17490 8454 1 14 . 1 1 65 65 ALA CA C 355 51.429 51.429 51.435 -0.006 17490 8455 1 14 . 1 1 65 65 ALA CB C 355 22.924 22.924 21.781 1.143 17490 8456 1 14 . 1 1 65 65 ALA H H 355 8.785 8.785 8.500 0.285 17490 8457 1 14 . 1 1 66 66 ILE N N 356 121.244 121.244 126.718 -5.474 17490 8458 1 14 . 1 1 66 66 ILE HA H 356 4.711 4.711 4.785 -0.074 17490 8459 1 14 . 1 1 66 66 ILE C C 356 174.154 174.154 173.718 0.436 17490 8460 1 14 . 1 1 66 66 ILE CA C 356 60.570 60.570 60.657 -0.087 17490 8461 1 14 . 1 1 66 66 ILE CB C 356 41.943 41.943 39.485 2.458 17490 8462 1 14 . 1 1 66 66 ILE H H 356 9.390 9.390 8.244 1.146 17490 8463 1 14 . 1 1 67 67 ILE N N 357 127.255 127.255 129.452 -2.197 17490 8464 1 14 . 1 1 67 67 ILE HA H 357 4.433 4.433 4.830 -0.397 17490 8465 1 14 . 1 1 67 67 ILE C C 357 174.004 174.004 174.708 -0.704 17490 8466 1 14 . 1 1 67 67 ILE CA C 357 59.826 59.826 60.117 -0.291 17490 8467 1 14 . 1 1 67 67 ILE CB C 357 38.965 38.965 42.450 -3.485 17490 8468 1 14 . 1 1 67 67 ILE H H 357 9.291 9.291 8.748 0.543 17490 8469 1 14 . 1 1 68 68 ILE N N 358 124.623 124.623 126.477 -1.854 17490 8470 1 14 . 1 1 68 68 ILE HA H 358 4.293 4.293 4.456 -0.163 17490 8471 1 14 . 1 1 68 68 ILE C C 358 176.052 176.052 176.015 0.037 17490 8472 1 14 . 1 1 68 68 ILE CA C 358 61.079 61.079 60.619 0.460 17490 8473 1 14 . 1 1 68 68 ILE CB C 358 38.373 38.373 36.907 1.466 17490 8474 1 14 . 1 1 68 68 ILE H H 358 8.681 8.681 8.175 0.506 17490 8475 1 14 . 1 1 69 69 PHE N N 359 126.100 126.100 125.652 0.448 17490 8476 1 14 . 1 1 69 69 PHE HA H 359 5.130 5.130 4.270 0.860 17490 8477 1 14 . 1 1 69 69 PHE C C 359 175.355 175.355 177.449 -2.094 17490 8478 1 14 . 1 1 69 69 PHE CA C 359 58.156 58.156 63.031 -4.875 17490 8479 1 14 . 1 1 69 69 PHE CB C 359 41.592 41.592 39.187 2.405 17490 8480 1 14 . 1 1 69 69 PHE H H 359 9.086 9.086 8.707 0.379 17490 8481 1 14 . 1 1 70 70 ARG N N 360 115.935 115.935 113.847 2.088 17490 8482 1 14 . 1 1 70 70 ARG HA H 360 4.068 4.068 4.493 -0.425 17490 8483 1 14 . 1 1 70 70 ARG C C 360 175.099 175.099 174.504 0.595 17490 8484 1 14 . 1 1 70 70 ARG CA C 360 58.594 58.594 56.561 2.033 17490 8485 1 14 . 1 1 70 70 ARG CB C 360 30.664 30.664 33.628 -2.964 17490 8486 1 14 . 1 1 70 70 ARG H H 360 8.268 8.268 8.698 -0.430 17490 8487 1 14 . 1 1 71 71 ASP N N 361 113.892 113.892 116.965 -3.073 17490 8488 1 14 . 1 1 71 71 ASP HA H 361 4.880 4.880 4.779 0.101 17490 8489 1 14 . 1 1 71 71 ASP C C 361 176.087 176.087 176.122 -0.035 17490 8490 1 14 . 1 1 71 71 ASP CA C 361 53.329 53.329 52.760 0.569 17490 8491 1 14 . 1 1 71 71 ASP CB C 361 44.131 44.131 43.448 0.683 17490 8492 1 14 . 1 1 71 71 ASP H H 361 7.673 7.673 7.925 -0.252 17490 8493 1 14 . 1 1 72 72 SER N N 362 118.590 118.590 118.627 -0.037 17490 8494 1 14 . 1 1 72 72 SER HA H 362 4.310 4.310 4.275 0.035 17490 8495 1 14 . 1 1 72 72 SER C C 362 176.600 176.600 176.243 0.357 17490 8496 1 14 . 1 1 72 72 SER CA C 362 60.739 60.739 61.662 -0.923 17490 8497 1 14 . 1 1 72 72 SER CB C 362 62.872 62.872 63.232 -0.360 17490 8498 1 14 . 1 1 72 72 SER H H 362 9.103 9.103 8.871 0.232 17490 8499 1 14 . 1 1 73 73 LYS N N 363 125.872 125.872 120.314 5.558 17490 8500 1 14 . 1 1 73 73 LYS HA H 363 4.134 4.134 4.010 0.124 17490 8501 1 14 . 1 1 73 73 LYS C C 363 179.386 179.386 179.029 0.357 17490 8502 1 14 . 1 1 73 73 LYS CA C 363 59.283 59.283 59.163 0.120 17490 8503 1 14 . 1 1 73 73 LYS CB C 363 31.491 31.491 32.455 -0.964 17490 8504 1 14 . 1 1 73 73 LYS H H 363 8.332 8.332 8.022 0.310 17490 8505 1 14 . 1 1 74 74 PHE N N 364 123.145 123.145 120.319 2.826 17490 8506 1 14 . 1 1 74 74 PHE HA H 364 3.968 3.968 4.243 -0.275 17490 8507 1 14 . 1 1 74 74 PHE C C 364 177.819 177.819 176.717 1.102 17490 8508 1 14 . 1 1 74 74 PHE CA C 364 61.588 61.588 59.642 1.946 17490 8509 1 14 . 1 1 74 74 PHE CB C 364 39.963 39.963 39.000 0.963 17490 8510 1 14 . 1 1 74 74 PHE H H 364 8.482 8.482 8.314 0.168 17490 8511 1 14 . 1 1 75 75 ALA N N 365 119.451 119.451 122.231 -2.780 17490 8512 1 14 . 1 1 75 75 ALA HA H 365 3.396 3.396 3.594 -0.198 17490 8513 1 14 . 1 1 75 75 ALA C C 365 178.100 178.100 179.206 -1.106 17490 8514 1 14 . 1 1 75 75 ALA CA C 365 55.584 55.584 55.208 0.376 17490 8515 1 14 . 1 1 75 75 ALA CB C 365 18.265 18.265 17.826 0.439 17490 8516 1 14 . 1 1 75 75 ALA H H 365 7.835 7.835 8.568 -0.733 17490 8517 1 14 . 1 1 76 76 ALA N N 366 117.626 117.626 120.230 -2.604 17490 8518 1 14 . 1 1 76 76 ALA HA H 366 4.033 4.033 4.060 -0.027 17490 8519 1 14 . 1 1 76 76 ALA C C 366 180.569 180.569 179.159 1.410 17490 8520 1 14 . 1 1 76 76 ALA CA C 366 54.996 54.996 54.634 0.362 17490 8521 1 14 . 1 1 76 76 ALA CB C 366 18.040 18.040 18.322 -0.282 17490 8522 1 14 . 1 1 76 76 ALA H H 366 7.680 7.680 7.669 0.011 17490 8523 1 14 . 1 1 77 77 LYS N N 367 118.273 118.273 119.774 -1.501 17490 8524 1 14 . 1 1 77 77 LYS HA H 367 3.998 3.998 3.971 0.027 17490 8525 1 14 . 1 1 77 77 LYS C C 367 178.964 178.964 178.458 0.506 17490 8526 1 14 . 1 1 77 77 LYS CA C 367 58.803 58.803 59.212 -0.409 17490 8527 1 14 . 1 1 77 77 LYS CB C 367 32.106 32.106 32.536 -0.430 17490 8528 1 14 . 1 1 77 77 LYS H H 367 7.302 7.302 7.729 -0.427 17490 8529 1 14 . 1 1 78 78 MET N N 368 117.578 117.578 118.950 -1.372 17490 8530 1 14 . 1 1 78 78 MET HA H 368 4.273 4.273 3.946 0.327 17490 8531 1 14 . 1 1 78 78 MET C C 368 178.167 178.167 177.580 0.587 17490 8532 1 14 . 1 1 78 78 MET CA C 368 55.734 55.734 56.680 -0.946 17490 8533 1 14 . 1 1 78 78 MET CB C 368 32.382 32.382 31.406 0.976 17490 8534 1 14 . 1 1 78 78 MET H H 368 7.785 7.785 7.843 -0.058 17490 8535 1 14 . 1 1 79 79 LEU N N 369 120.984 120.984 121.679 -0.695 17490 8536 1 14 . 1 1 79 79 LEU HA H 369 3.786 3.786 3.758 0.028 17490 8537 1 14 . 1 1 79 79 LEU C C 369 179.060 179.060 178.931 0.129 17490 8538 1 14 . 1 1 79 79 LEU CA C 369 59.377 59.377 58.263 1.115 17490 8539 1 14 . 1 1 79 79 LEU CB C 369 42.354 42.354 41.797 0.557 17490 8540 1 14 . 1 1 79 79 LEU H H 369 8.197 8.197 7.542 0.655 17490 8541 1 14 . 1 1 80 80 MET N N 370 114.071 114.071 114.985 -0.914 17490 8542 1 14 . 1 1 80 80 MET HA H 370 4.277 4.277 4.157 0.120 17490 8543 1 14 . 1 1 80 80 MET C C 370 178.184 178.184 178.104 0.080 17490 8544 1 14 . 1 1 80 80 MET CA C 370 57.627 57.627 57.665 -0.038 17490 8545 1 14 . 1 1 80 80 MET CB C 370 32.543 32.543 32.326 0.217 17490 8546 1 14 . 1 1 80 80 MET H H 370 7.018 7.018 7.769 -0.751 17490 8547 1 14 . 1 1 81 81 ILE N N 371 118.056 118.056 115.853 2.203 17490 8548 1 14 . 1 1 81 81 ILE HA H 371 3.885 3.885 3.934 -0.049 17490 8549 1 14 . 1 1 81 81 ILE C C 371 177.491 177.491 176.931 0.560 17490 8550 1 14 . 1 1 81 81 ILE CA C 371 63.571 63.571 62.799 0.772 17490 8551 1 14 . 1 1 81 81 ILE CB C 371 38.716 38.716 38.339 0.377 17490 8552 1 14 . 1 1 81 81 ILE H H 371 7.615 7.615 7.499 0.116 17490 8553 1 14 . 1 1 82 82 LEU N N 372 116.858 116.858 118.814 -1.956 17490 8554 1 14 . 1 1 82 82 LEU HA H 372 4.100 4.100 4.424 -0.324 17490 8555 1 14 . 1 1 82 82 LEU C C 372 178.360 178.360 176.644 1.716 17490 8556 1 14 . 1 1 82 82 LEU CA C 372 55.929 55.929 55.739 0.190 17490 8557 1 14 . 1 1 82 82 LEU CB C 372 42.309 42.309 43.793 -1.484 17490 8558 1 14 . 1 1 82 82 LEU H H 372 8.160 8.160 7.941 0.219 17490 8559 1 14 . 1 1 83 83 ASN N N 373 117.015 117.015 117.050 -0.035 17490 8560 1 14 . 1 1 83 83 ASN HA H 373 4.348 4.348 4.774 -0.426 17490 8561 1 14 . 1 1 83 83 ASN C C 373 175.671 175.671 174.476 1.195 17490 8562 1 14 . 1 1 83 83 ASN CA C 373 55.793 55.793 53.978 1.815 17490 8563 1 14 . 1 1 83 83 ASN CB C 373 38.434 38.434 38.586 -0.152 17490 8564 1 14 . 1 1 83 83 ASN H H 373 7.058 7.058 8.021 -0.963 17490 8565 1 14 . 1 1 84 84 GLY N N 374 116.878 116.878 109.649 7.229 17490 8566 1 14 . 1 1 84 84 GLY C C 374 174.602 174.602 173.784 0.818 17490 8567 1 14 . 1 1 84 84 GLY CA C 374 45.842 45.842 45.495 0.347 17490 8568 1 14 . 1 1 84 84 GLY H H 374 9.053 9.053 8.244 0.809 17490 8569 1 14 . 1 1 85 85 SER N N 375 116.615 116.615 115.964 0.651 17490 8570 1 14 . 1 1 85 85 SER HA H 375 4.407 4.407 4.785 -0.378 17490 8571 1 14 . 1 1 85 85 SER C C 375 171.580 171.580 173.572 -1.992 17490 8572 1 14 . 1 1 85 85 SER CA C 375 59.280 59.280 56.896 2.384 17490 8573 1 14 . 1 1 85 85 SER CB C 375 64.303 64.303 65.043 -0.740 17490 8574 1 14 . 1 1 85 85 SER H H 375 7.666 7.666 8.139 -0.473 17490 8575 1 14 . 1 1 86 86 GLN N N 376 117.824 117.824 119.312 -1.488 17490 8576 1 14 . 1 1 86 86 GLN HA H 376 4.893 4.893 5.217 -0.324 17490 8577 1 14 . 1 1 86 86 GLN C C 376 175.033 175.033 174.984 0.049 17490 8578 1 14 . 1 1 86 86 GLN CA C 376 54.885 54.885 55.118 -0.233 17490 8579 1 14 . 1 1 86 86 GLN CB C 376 30.733 30.733 32.354 -1.621 17490 8580 1 14 . 1 1 86 86 GLN H H 376 8.381 8.381 8.416 -0.035 17490 8581 1 14 . 1 1 87 87 PHE N N 377 124.095 124.095 124.490 -0.395 17490 8582 1 14 . 1 1 87 87 PHE HA H 377 4.472 4.472 4.623 -0.151 17490 8583 1 14 . 1 1 87 87 PHE C C 377 174.760 174.760 174.138 0.622 17490 8584 1 14 . 1 1 87 87 PHE CA C 377 56.009 56.009 58.415 -2.406 17490 8585 1 14 . 1 1 87 87 PHE CB C 377 41.519 41.519 41.566 -0.047 17490 8586 1 14 . 1 1 87 87 PHE H H 377 8.974 8.974 9.083 -0.109 17490 8587 1 14 . 1 1 88 88 GLN N N 378 126.108 126.108 125.329 0.779 17490 8588 1 14 . 1 1 88 88 GLN HA H 378 3.505 3.505 3.729 -0.224 17490 8589 1 14 . 1 1 88 88 GLN C C 378 176.162 176.162 175.482 0.680 17490 8590 1 14 . 1 1 88 88 GLN CA C 378 56.570 56.570 56.854 -0.284 17490 8591 1 14 . 1 1 88 88 GLN CB C 378 26.070 26.070 26.584 -0.514 17490 8592 1 14 . 1 1 88 88 GLN H H 378 9.139 9.139 8.867 0.272 17490 8593 1 14 . 1 1 89 89 GLY N N 379 103.132 103.132 102.887 0.245 17490 8594 1 14 . 1 1 89 89 GLY C C 379 173.587 173.587 173.660 -0.073 17490 8595 1 14 . 1 1 89 89 GLY CA C 379 45.382 45.382 45.156 0.226 17490 8596 1 14 . 1 1 89 89 GLY H H 379 8.580 8.580 8.215 0.365 17490 8597 1 14 . 1 1 90 90 LYS N N 380 119.783 119.783 118.836 0.947 17490 8598 1 14 . 1 1 90 90 LYS HA H 380 4.697 4.697 4.663 0.034 17490 8599 1 14 . 1 1 90 90 LYS C C 380 174.500 174.500 174.616 -0.116 17490 8600 1 14 . 1 1 90 90 LYS CA C 380 54.019 54.019 54.092 -0.073 17490 8601 1 14 . 1 1 90 90 LYS CB C 380 35.919 35.919 35.596 0.323 17490 8602 1 14 . 1 1 90 90 LYS H H 380 7.457 7.457 7.516 -0.059 17490 8603 1 14 . 1 1 91 91 VAL N N 381 121.517 121.517 121.181 0.336 17490 8604 1 14 . 1 1 91 91 VAL HA H 381 4.294 4.294 4.698 -0.404 17490 8605 1 14 . 1 1 91 91 VAL C C 381 176.729 176.729 175.362 1.367 17490 8606 1 14 . 1 1 91 91 VAL CA C 381 63.176 63.176 61.673 1.503 17490 8607 1 14 . 1 1 91 91 VAL CB C 381 32.073 32.073 32.776 -0.703 17490 8608 1 14 . 1 1 91 91 VAL H H 381 8.256 8.256 8.495 -0.239 17490 8609 1 14 . 1 1 92 92 ILE N N 382 124.746 124.746 124.621 0.125 17490 8610 1 14 . 1 1 92 92 ILE HA H 382 4.533 4.533 4.892 -0.359 17490 8611 1 14 . 1 1 92 92 ILE C C 382 173.501 173.501 174.359 -0.858 17490 8612 1 14 . 1 1 92 92 ILE CA C 382 59.249 59.249 59.826 -0.577 17490 8613 1 14 . 1 1 92 92 ILE CB C 382 41.995 41.995 38.493 3.502 17490 8614 1 14 . 1 1 92 92 ILE H H 382 8.788 8.788 8.313 0.475 17490 8615 1 14 . 1 1 93 93 ARG N N 383 119.723 119.723 124.959 -5.236 17490 8616 1 14 . 1 1 93 93 ARG HA H 383 4.608 4.608 4.956 -0.348 17490 8617 1 14 . 1 1 93 93 ARG C C 383 173.979 173.979 174.461 -0.482 17490 8618 1 14 . 1 1 93 93 ARG CA C 383 53.178 53.178 53.719 -0.541 17490 8619 1 14 . 1 1 93 93 ARG CB C 383 31.724 31.724 33.938 -2.214 17490 8620 1 14 . 1 1 93 93 ARG H H 383 8.500 8.500 8.592 -0.092 17490 8621 1 14 . 1 1 94 94 SER N N 384 110.386 110.386 113.492 -3.106 17490 8622 1 14 . 1 1 94 94 SER HA H 384 5.685 5.685 5.086 0.599 17490 8623 1 14 . 1 1 94 94 SER C C 384 174.791 174.791 173.389 1.402 17490 8624 1 14 . 1 1 94 94 SER CA C 384 54.419 54.419 56.744 -2.325 17490 8625 1 14 . 1 1 94 94 SER CB C 384 67.147 67.147 66.485 0.662 17490 8626 1 14 . 1 1 94 94 SER H H 384 7.700 7.700 8.136 -0.436 17490 8627 1 14 . 1 1 95 95 GLY N N 385 106.738 106.738 106.020 0.718 17490 8628 1 14 . 1 1 95 95 GLY C C 385 171.619 171.619 172.607 -0.988 17490 8629 1 14 . 1 1 95 95 GLY CA C 385 45.904 45.904 45.889 0.014 17490 8630 1 14 . 1 1 95 95 GLY H H 385 8.360 8.360 8.399 -0.039 17490 8631 1 14 . 1 1 96 96 THR N N 386 111.493 111.493 112.896 -1.403 17490 8632 1 14 . 1 1 96 96 THR HA H 386 4.604 4.604 4.676 -0.072 17490 8633 1 14 . 1 1 96 96 THR C C 386 175.600 175.600 175.828 -0.228 17490 8634 1 14 . 1 1 96 96 THR CA C 386 60.901 60.901 60.410 0.491 17490 8635 1 14 . 1 1 96 96 THR CB C 386 71.709 71.709 71.465 0.244 17490 8636 1 14 . 1 1 96 96 THR H H 386 9.274 9.274 7.943 1.331 17490 8637 1 14 . 1 1 97 97 ILE N N 387 121.293 121.293 116.561 4.732 17490 8638 1 14 . 1 1 97 97 ILE HA H 387 3.881 3.881 4.063 -0.182 17490 8639 1 14 . 1 1 97 97 ILE C C 387 178.109 178.109 177.417 0.692 17490 8640 1 14 . 1 1 97 97 ILE CA C 387 65.826 65.826 64.199 1.627 17490 8641 1 14 . 1 1 97 97 ILE CB C 387 37.717 37.717 37.916 -0.199 17490 8642 1 14 . 1 1 97 97 ILE H H 387 9.339 9.339 8.100 1.239 17490 8643 1 14 . 1 1 98 98 ASN N N 388 117.358 117.358 118.556 -1.198 17490 8644 1 14 . 1 1 98 98 ASN HA H 388 4.224 4.224 4.338 -0.114 17490 8645 1 14 . 1 1 98 98 ASN C C 388 178.040 178.040 176.938 1.102 17490 8646 1 14 . 1 1 98 98 ASN CA C 388 56.205 56.205 56.506 -0.301 17490 8647 1 14 . 1 1 98 98 ASN CB C 388 37.719 37.719 38.266 -0.547 17490 8648 1 14 . 1 1 98 98 ASN H H 388 8.162 8.162 8.101 0.061 17490 8649 1 14 . 1 1 99 99 ASP N N 389 121.336 121.336 120.205 1.131 17490 8650 1 14 . 1 1 99 99 ASP HA H 389 4.236 4.236 4.041 0.195 17490 8651 1 14 . 1 1 99 99 ASP C C 389 177.813 177.813 177.607 0.206 17490 8652 1 14 . 1 1 99 99 ASP CA C 389 57.639 57.639 56.537 1.102 17490 8653 1 14 . 1 1 99 99 ASP CB C 389 40.497 40.497 40.395 0.102 17490 8654 1 14 . 1 1 99 99 ASP H H 389 7.865 7.865 8.184 -0.319 17490 8655 1 14 . 1 1 100 100 MET N N 390 122.932 122.932 117.840 5.092 17490 8656 1 14 . 1 1 100 100 MET HA H 390 4.499 4.499 3.753 0.746 17490 8657 1 14 . 1 1 100 100 MET C C 390 178.081 178.081 177.731 0.350 17490 8658 1 14 . 1 1 100 100 MET CA C 390 58.402 58.402 58.784 -0.382 17490 8659 1 14 . 1 1 100 100 MET CB C 390 32.263 32.263 32.562 -0.299 17490 8660 1 14 . 1 1 100 100 MET H H 390 7.874 7.874 7.255 0.619 17490 8661 1 14 . 1 1 101 101 LYS N N 391 118.764 118.764 120.365 -1.601 17490 8662 1 14 . 1 1 101 101 LYS HA H 391 3.484 3.484 4.228 -0.744 17490 8663 1 14 . 1 1 101 101 LYS C C 391 178.102 178.102 179.543 -1.441 17490 8664 1 14 . 1 1 101 101 LYS CA C 391 60.070 60.070 59.077 0.993 17490 8665 1 14 . 1 1 101 101 LYS CB C 391 32.468 32.468 31.786 0.682 17490 8666 1 14 . 1 1 101 101 LYS H H 391 7.994 7.994 8.028 -0.034 17490 8667 1 14 . 1 1 102 102 ARG N N 392 118.974 118.974 120.113 -1.139 17490 8668 1 14 . 1 1 102 102 ARG HA H 392 3.971 3.971 4.112 -0.141 17490 8669 1 14 . 1 1 102 102 ARG C C 392 178.433 178.433 178.800 -0.367 17490 8670 1 14 . 1 1 102 102 ARG CA C 392 59.485 59.485 58.532 0.953 17490 8671 1 14 . 1 1 102 102 ARG CB C 392 30.282 30.282 29.653 0.629 17490 8672 1 14 . 1 1 102 102 ARG H H 392 8.088 8.088 8.194 -0.106 17490 8673 1 14 . 1 1 103 103 TYR N N 393 119.904 119.904 119.778 0.126 17490 8674 1 14 . 1 1 103 103 TYR HA H 393 4.017 4.017 4.235 -0.218 17490 8675 1 14 . 1 1 103 103 TYR C C 393 177.819 177.819 178.641 -0.822 17490 8676 1 14 . 1 1 103 103 TYR CA C 393 61.926 61.926 59.517 2.409 17490 8677 1 14 . 1 1 103 103 TYR CB C 393 39.373 39.373 37.573 1.800 17490 8678 1 14 . 1 1 103 103 TYR H H 393 8.058 8.058 7.899 0.159 17490 8679 1 14 . 1 1 104 104 TYR N N 394 119.418 119.418 120.481 -1.063 17490 8680 1 14 . 1 1 104 104 TYR HA H 394 4.167 4.167 4.290 -0.123 17490 8681 1 14 . 1 1 104 104 TYR C C 394 177.920 177.920 177.292 0.628 17490 8682 1 14 . 1 1 104 104 TYR CA C 394 61.764 61.764 60.806 0.958 17490 8683 1 14 . 1 1 104 104 TYR CB C 394 39.162 39.162 38.360 0.802 17490 8684 1 14 . 1 1 104 104 TYR H H 394 7.846 7.846 8.853 -1.007 17490 8685 1 14 . 1 1 105 105 ASN N N 395 117.373 117.373 117.949 -0.576 17490 8686 1 14 . 1 1 105 105 ASN HA H 395 4.414 4.414 3.967 0.447 17490 8687 1 14 . 1 1 105 105 ASN C C 395 176.906 176.906 177.373 -0.467 17490 8688 1 14 . 1 1 105 105 ASN CA C 395 55.691 55.691 56.509 -0.818 17490 8689 1 14 . 1 1 105 105 ASN CB C 395 38.472 38.472 38.087 0.385 17490 8690 1 14 . 1 1 105 105 ASN H H 395 8.499 8.499 8.155 0.344 17490 8691 1 14 . 1 1 106 106 ASN N N 396 118.101 118.101 118.043 0.058 17490 8692 1 14 . 1 1 106 106 ASN HA H 396 4.531 4.531 4.468 0.063 17490 8693 1 14 . 1 1 106 106 ASN C C 396 176.450 176.450 176.412 0.038 17490 8694 1 14 . 1 1 106 106 ASN CA C 396 54.775 54.775 55.875 -1.100 17490 8695 1 14 . 1 1 106 106 ASN CB C 396 38.543 38.543 38.507 0.036 17490 8696 1 14 . 1 1 106 106 ASN H H 396 8.081 8.081 8.256 -0.175 17490 8697 1 14 . 1 1 107 107 GLN N N 397 118.903 118.903 118.437 0.466 17490 8698 1 14 . 1 1 107 107 GLN HA H 397 3.977 3.977 4.286 -0.309 17490 8699 1 14 . 1 1 107 107 GLN C C 397 176.907 176.907 177.178 -0.271 17490 8700 1 14 . 1 1 107 107 GLN CA C 397 56.815 56.815 57.862 -1.047 17490 8701 1 14 . 1 1 107 107 GLN CB C 397 28.610 28.610 28.810 -0.200 17490 8702 1 14 . 1 1 107 107 GLN H H 397 7.772 7.772 7.413 0.359 17490 8703 1 14 . 1 1 108 108 GLN N N 398 118.101 118.101 118.049 0.052 17490 8704 1 14 . 1 1 108 108 GLN HA H 398 3.920 3.920 4.110 -0.190 17490 8705 1 14 . 1 1 108 108 GLN C C 398 176.321 176.321 176.951 -0.630 17490 8706 1 14 . 1 1 108 108 GLN CA C 398 56.554 56.554 57.160 -0.606 17490 8707 1 14 . 1 1 108 108 GLN CB C 398 28.650 28.650 29.220 -0.570 17490 8708 1 14 . 1 1 108 108 GLN H H 398 7.854 7.854 8.084 -0.230 17490 8709 1 15 . 1 1 3 3 LEU N N 293 125.082 125.082 118.397 6.685 17490 8710 1 15 . 1 1 3 3 LEU HA H 293 4.292 4.292 4.799 -0.507 17490 8711 1 15 . 1 1 3 3 LEU C C 293 177.442 177.442 177.560 -0.118 17490 8712 1 15 . 1 1 3 3 LEU CA C 293 55.523 55.523 54.519 1.004 17490 8713 1 15 . 1 1 3 3 LEU CB C 293 42.516 42.516 42.030 0.486 17490 8714 1 15 . 1 1 3 3 LEU H H 293 8.321 8.321 7.800 0.521 17490 8715 1 15 . 1 1 4 4 GLU N N 294 122.906 122.906 122.645 0.261 17490 8716 1 15 . 1 1 4 4 GLU HA H 294 4.069 4.069 3.960 0.109 17490 8717 1 15 . 1 1 4 4 GLU C C 294 177.158 177.158 178.658 -1.500 17490 8718 1 15 . 1 1 4 4 GLU CA C 294 58.307 58.307 59.393 -1.086 17490 8719 1 15 . 1 1 4 4 GLU CB C 294 29.676 29.676 28.657 1.019 17490 8720 1 15 . 1 1 4 4 GLU H H 294 8.521 8.521 9.036 -0.515 17490 8721 1 15 . 1 1 5 5 ARG N N 295 120.270 120.270 118.429 1.841 17490 8722 1 15 . 1 1 5 5 ARG HA H 295 4.131 4.131 4.047 0.084 17490 8723 1 15 . 1 1 5 5 ARG C C 295 177.768 177.768 178.825 -1.057 17490 8724 1 15 . 1 1 5 5 ARG CA C 295 58.082 58.082 59.752 -1.670 17490 8725 1 15 . 1 1 5 5 ARG CB C 295 30.192 30.192 29.863 0.329 17490 8726 1 15 . 1 1 5 5 ARG H H 295 8.327 8.327 8.669 -0.342 17490 8727 1 15 . 1 1 6 6 ASN N N 296 118.639 118.639 118.438 0.201 17490 8728 1 15 . 1 1 6 6 ASN HA H 296 4.554 4.554 4.572 -0.018 17490 8729 1 15 . 1 1 6 6 ASN C C 296 176.830 176.830 177.776 -0.946 17490 8730 1 15 . 1 1 6 6 ASN CA C 296 54.901 54.901 56.039 -1.138 17490 8731 1 15 . 1 1 6 6 ASN CB C 296 38.115 38.115 38.120 -0.005 17490 8732 1 15 . 1 1 6 6 ASN H H 296 8.257 8.257 7.966 0.291 17490 8733 1 15 . 1 1 7 7 GLU N N 297 123.935 123.935 120.725 3.210 17490 8734 1 15 . 1 1 7 7 GLU HA H 297 4.266 4.266 4.234 0.032 17490 8735 1 15 . 1 1 7 7 GLU C C 297 178.102 178.102 179.236 -1.134 17490 8736 1 15 . 1 1 7 7 GLU CA C 297 58.897 58.897 58.955 -0.058 17490 8737 1 15 . 1 1 7 7 GLU CB C 297 29.814 29.814 29.510 0.304 17490 8738 1 15 . 1 1 7 7 GLU H H 297 8.185 8.185 7.855 0.330 17490 8739 1 15 . 1 1 8 8 VAL N N 298 118.916 118.916 120.180 -1.264 17490 8740 1 15 . 1 1 8 8 VAL HA H 298 3.399 3.399 3.700 -0.301 17490 8741 1 15 . 1 1 8 8 VAL C C 298 177.131 177.131 178.003 -0.872 17490 8742 1 15 . 1 1 8 8 VAL CA C 298 67.619 67.619 66.561 1.058 17490 8743 1 15 . 1 1 8 8 VAL CB C 298 32.041 32.041 31.122 0.919 17490 8744 1 15 . 1 1 8 8 VAL H H 298 8.095 8.095 8.685 -0.590 17490 8745 1 15 . 1 1 9 9 LYS N N 299 117.791 117.791 120.802 -3.011 17490 8746 1 15 . 1 1 9 9 LYS HA H 299 3.804 3.804 4.094 -0.290 17490 8747 1 15 . 1 1 9 9 LYS C C 299 179.259 179.259 178.877 0.382 17490 8748 1 15 . 1 1 9 9 LYS CA C 299 59.806 59.806 59.497 0.309 17490 8749 1 15 . 1 1 9 9 LYS CB C 299 32.290 32.290 32.345 -0.055 17490 8750 1 15 . 1 1 9 9 LYS H H 299 7.771 7.771 7.879 -0.108 17490 8751 1 15 . 1 1 10 10 ARG N N 300 119.032 119.032 118.831 0.201 17490 8752 1 15 . 1 1 10 10 ARG HA H 300 3.934 3.934 4.089 -0.155 17490 8753 1 15 . 1 1 10 10 ARG C C 300 179.680 179.680 179.215 0.465 17490 8754 1 15 . 1 1 10 10 ARG CA C 300 59.444 59.444 59.222 0.222 17490 8755 1 15 . 1 1 10 10 ARG CB C 300 30.190 30.190 30.056 0.134 17490 8756 1 15 . 1 1 10 10 ARG H H 300 7.834 7.834 8.224 -0.390 17490 8757 1 15 . 1 1 11 11 LEU N N 301 120.881 120.881 120.218 0.663 17490 8758 1 15 . 1 1 11 11 LEU HA H 301 3.890 3.890 4.207 -0.317 17490 8759 1 15 . 1 1 11 11 LEU C C 301 178.937 178.937 178.595 0.342 17490 8760 1 15 . 1 1 11 11 LEU CA C 301 58.067 58.067 56.782 1.285 17490 8761 1 15 . 1 1 11 11 LEU CB C 301 42.051 42.051 42.176 -0.126 17490 8762 1 15 . 1 1 11 11 LEU H H 301 8.147 8.147 8.007 0.140 17490 8763 1 15 . 1 1 12 12 LEU N N 302 116.294 116.294 118.735 -2.441 17490 8764 1 15 . 1 1 12 12 LEU HA H 302 3.874 3.874 4.013 -0.139 17490 8765 1 15 . 1 1 12 12 LEU C C 302 177.360 177.360 178.586 -1.226 17490 8766 1 15 . 1 1 12 12 LEU CA C 302 57.498 57.498 57.656 -0.158 17490 8767 1 15 . 1 1 12 12 LEU CB C 302 41.506 41.506 42.054 -0.548 17490 8768 1 15 . 1 1 12 12 LEU H H 302 8.331 8.331 7.815 0.516 17490 8769 1 15 . 1 1 13 13 ALA N N 303 117.998 117.998 119.004 -1.006 17490 8770 1 15 . 1 1 13 13 ALA HA H 303 4.480 4.480 4.384 0.096 17490 8771 1 15 . 1 1 13 13 ALA C C 303 177.554 177.554 177.703 -0.149 17490 8772 1 15 . 1 1 13 13 ALA CA C 303 51.290 51.290 52.191 -0.901 17490 8773 1 15 . 1 1 13 13 ALA CB C 303 19.810 19.810 20.032 -0.222 17490 8774 1 15 . 1 1 13 13 ALA H H 303 7.109 7.109 7.724 -0.615 17490 8775 1 15 . 1 1 14 14 SER N N 304 114.833 114.833 115.420 -0.587 17490 8776 1 15 . 1 1 14 14 SER HA H 304 4.175 4.175 4.181 -0.006 17490 8777 1 15 . 1 1 14 14 SER C C 304 175.762 175.762 175.557 0.205 17490 8778 1 15 . 1 1 14 14 SER CA C 304 59.344 59.344 60.182 -0.838 17490 8779 1 15 . 1 1 14 14 SER CB C 304 63.704 63.704 63.514 0.189 17490 8780 1 15 . 1 1 14 14 SER H H 304 7.265 7.265 7.572 -0.307 17490 8781 1 15 . 1 1 15 15 ARG N N 305 125.370 125.370 125.887 -0.517 17490 8782 1 15 . 1 1 15 15 ARG HA H 305 4.555 4.555 4.256 0.299 17490 8783 1 15 . 1 1 15 15 ARG C C 305 175.442 175.442 175.790 -0.348 17490 8784 1 15 . 1 1 15 15 ARG CA C 305 54.847 54.847 57.016 -2.169 17490 8785 1 15 . 1 1 15 15 ARG CB C 305 30.415 30.415 31.060 -0.645 17490 8786 1 15 . 1 1 15 15 ARG H H 305 8.872 8.872 8.748 0.124 17490 8787 1 15 . 1 1 16 16 ASN N N 306 120.536 120.536 120.212 0.324 17490 8788 1 15 . 1 1 16 16 ASN HA H 306 4.774 4.774 4.659 0.115 17490 8789 1 15 . 1 1 16 16 ASN C C 306 175.146 175.146 175.878 -0.732 17490 8790 1 15 . 1 1 16 16 ASN CA C 306 52.434 52.434 53.761 -1.327 17490 8791 1 15 . 1 1 16 16 ASN CB C 306 38.294 38.294 37.876 0.418 17490 8792 1 15 . 1 1 16 16 ASN H H 306 8.367 8.367 8.409 -0.042 17490 8793 1 15 . 1 1 17 17 SER N N 307 121.694 121.694 120.054 1.640 17490 8794 1 15 . 1 1 17 17 SER HA H 307 4.090 4.090 4.311 -0.221 17490 8795 1 15 . 1 1 17 17 SER C C 307 175.970 175.970 175.616 0.354 17490 8796 1 15 . 1 1 17 17 SER CA C 307 61.484 61.484 60.080 1.404 17490 8797 1 15 . 1 1 17 17 SER CB C 307 62.850 62.850 63.185 -0.335 17490 8798 1 15 . 1 1 17 17 SER H H 307 8.656 8.656 8.713 -0.057 17490 8799 1 15 . 1 1 18 18 LYS N N 308 120.961 120.961 121.399 -0.438 17490 8800 1 15 . 1 1 18 18 LYS HA H 308 4.115 4.115 4.057 0.058 17490 8801 1 15 . 1 1 18 18 LYS C C 308 178.999 178.999 177.938 1.061 17490 8802 1 15 . 1 1 18 18 LYS CA C 308 58.606 58.606 58.931 -0.326 17490 8803 1 15 . 1 1 18 18 LYS CB C 308 31.614 31.614 32.263 -0.649 17490 8804 1 15 . 1 1 18 18 LYS H H 308 8.060 8.060 8.356 -0.296 17490 8805 1 15 . 1 1 19 19 GLU N N 309 118.377 118.377 119.086 -0.709 17490 8806 1 15 . 1 1 19 19 GLU HA H 309 4.198 4.198 4.182 0.016 17490 8807 1 15 . 1 1 19 19 GLU C C 309 178.136 178.136 178.455 -0.319 17490 8808 1 15 . 1 1 19 19 GLU CA C 309 57.939 57.939 58.347 -0.408 17490 8809 1 15 . 1 1 19 19 GLU CB C 309 30.115 30.115 29.632 0.483 17490 8810 1 15 . 1 1 19 19 GLU H H 309 7.520 7.520 7.585 -0.065 17490 8811 1 15 . 1 1 20 20 LEU N N 310 118.101 118.101 117.366 0.735 17490 8812 1 15 . 1 1 20 20 LEU HA H 310 4.168 4.168 4.166 0.002 17490 8813 1 15 . 1 1 20 20 LEU C C 310 179.112 179.112 178.074 1.038 17490 8814 1 15 . 1 1 20 20 LEU CA C 310 56.583 56.583 56.388 0.195 17490 8815 1 15 . 1 1 20 20 LEU CB C 310 41.611 41.611 41.309 0.302 17490 8816 1 15 . 1 1 20 20 LEU H H 310 7.741 7.741 7.305 0.436 17490 8817 1 15 . 1 1 21 21 GLU N N 311 116.130 116.130 117.903 -1.773 17490 8818 1 15 . 1 1 21 21 GLU HA H 311 4.342 4.342 4.318 0.024 17490 8819 1 15 . 1 1 21 21 GLU C C 311 176.928 176.928 178.763 -1.835 17490 8820 1 15 . 1 1 21 21 GLU CA C 311 58.216 58.216 57.849 0.367 17490 8821 1 15 . 1 1 21 21 GLU CB C 311 29.608 29.608 30.209 -0.601 17490 8822 1 15 . 1 1 21 21 GLU H H 311 7.747 7.747 7.608 0.139 17490 8823 1 15 . 1 1 22 22 THR N N 312 106.131 106.131 117.936 -11.805 17490 8824 1 15 . 1 1 22 22 THR HA H 312 4.182 4.182 4.306 -0.124 17490 8825 1 15 . 1 1 22 22 THR C C 312 172.032 172.032 173.290 -1.258 17490 8826 1 15 . 1 1 22 22 THR CA C 312 61.539 61.539 63.515 -1.976 17490 8827 1 15 . 1 1 22 22 THR CB C 312 69.426 69.426 67.349 2.077 17490 8828 1 15 . 1 1 22 22 THR H H 312 7.446 7.446 8.019 -0.573 17490 8829 1 15 . 1 1 23 23 LEU N N 313 120.178 120.178 117.802 2.376 17490 8830 1 15 . 1 1 23 23 LEU HA H 313 5.869 5.869 5.627 0.242 17490 8831 1 15 . 1 1 23 23 LEU C C 313 175.604 175.604 174.324 1.280 17490 8832 1 15 . 1 1 23 23 LEU CA C 313 52.838 52.838 54.389 -1.552 17490 8833 1 15 . 1 1 23 23 LEU CB C 313 46.851 46.851 45.782 1.069 17490 8834 1 15 . 1 1 23 23 LEU H H 313 7.538 7.538 7.698 -0.160 17490 8835 1 15 . 1 1 24 24 ILE N N 314 113.990 113.990 113.747 0.243 17490 8836 1 15 . 1 1 24 24 ILE HA H 314 4.717 4.717 4.698 0.019 17490 8837 1 15 . 1 1 24 24 ILE C C 314 173.530 173.530 173.276 0.254 17490 8838 1 15 . 1 1 24 24 ILE CA C 314 59.368 59.368 59.466 -0.098 17490 8839 1 15 . 1 1 24 24 ILE CB C 314 42.319 42.319 42.020 0.299 17490 8840 1 15 . 1 1 24 24 ILE H H 314 8.904 8.904 8.651 0.253 17490 8841 1 15 . 1 1 25 25 CYS N N 315 117.755 117.755 119.364 -1.609 17490 8842 1 15 . 1 1 25 25 CYS HA H 315 5.914 5.914 5.277 0.637 17490 8843 1 15 . 1 1 25 25 CYS C C 315 174.153 174.153 175.399 -1.246 17490 8844 1 15 . 1 1 25 25 CYS CA C 315 57.187 57.187 56.944 0.243 17490 8845 1 15 . 1 1 25 25 CYS CB C 315 31.754 31.754 27.193 4.561 17490 8846 1 15 . 1 1 25 25 CYS H H 315 9.021 9.021 9.003 0.018 17490 8847 1 15 . 1 1 26 26 LEU N N 316 119.952 119.952 127.224 -7.272 17490 8848 1 15 . 1 1 26 26 LEU HA H 316 5.363 5.363 4.611 0.752 17490 8849 1 15 . 1 1 26 26 LEU C C 316 176.015 176.015 175.653 0.362 17490 8850 1 15 . 1 1 26 26 LEU CA C 316 53.072 53.072 55.510 -2.438 17490 8851 1 15 . 1 1 26 26 LEU CB C 316 45.891 45.891 43.088 2.803 17490 8852 1 15 . 1 1 26 26 LEU H H 316 8.778 8.778 9.043 -0.265 17490 8853 1 15 . 1 1 27 27 PHE N N 317 116.116 116.116 123.266 -7.150 17490 8854 1 15 . 1 1 27 27 PHE HA H 317 4.158 4.158 5.359 -1.201 17490 8855 1 15 . 1 1 27 27 PHE CA C 317 55.594 55.594 54.231 1.363 17490 8856 1 15 . 1 1 27 27 PHE CB C 317 37.765 37.765 39.220 -1.455 17490 8857 1 15 . 1 1 27 27 PHE H H 317 7.827 7.827 8.983 -1.156 17490 8858 1 15 . 1 1 28 28 PRO HA H 318 5.322 5.322 4.644 0.678 17490 8859 1 15 . 1 1 28 28 PRO C C 318 175.163 175.163 175.454 -0.291 17490 8860 1 15 . 1 1 28 28 PRO CA C 318 61.657 61.657 62.841 -1.184 17490 8861 1 15 . 1 1 28 28 PRO CB C 318 34.356 34.356 32.583 1.773 17490 8862 1 15 . 1 1 29 29 LEU N N 319 120.206 120.206 118.651 1.555 17490 8863 1 15 . 1 1 29 29 LEU HA H 319 4.674 4.674 4.468 0.206 17490 8864 1 15 . 1 1 29 29 LEU C C 319 176.806 176.806 175.875 0.931 17490 8865 1 15 . 1 1 29 29 LEU CA C 319 52.817 52.817 54.805 -1.988 17490 8866 1 15 . 1 1 29 29 LEU CB C 319 45.029 45.029 41.684 3.345 17490 8867 1 15 . 1 1 29 29 LEU H H 319 8.365 8.365 7.584 0.781 17490 8868 1 15 . 1 1 30 30 SER N N 320 117.220 117.220 116.986 0.234 17490 8869 1 15 . 1 1 30 30 SER HA H 320 4.475 4.475 4.709 -0.234 17490 8870 1 15 . 1 1 30 30 SER C C 320 174.677 174.677 175.157 -0.480 17490 8871 1 15 . 1 1 30 30 SER CA C 320 57.768 57.768 56.594 1.174 17490 8872 1 15 . 1 1 30 30 SER CB C 320 64.118 64.118 65.444 -1.326 17490 8873 1 15 . 1 1 30 30 SER H H 320 8.652 8.652 8.361 0.291 17490 8874 1 15 . 1 1 31 31 ASP N N 321 121.514 121.514 120.400 1.114 17490 8875 1 15 . 1 1 31 31 ASP HA H 321 4.471 4.471 4.531 -0.060 17490 8876 1 15 . 1 1 31 31 ASP C C 321 176.811 176.811 175.864 0.947 17490 8877 1 15 . 1 1 31 31 ASP CA C 321 55.388 55.388 55.439 -0.051 17490 8878 1 15 . 1 1 31 31 ASP CB C 321 40.060 40.060 40.569 -0.508 17490 8879 1 15 . 1 1 31 31 ASP H H 321 8.587 8.587 8.613 -0.026 17490 8880 1 15 . 1 1 32 32 LYS N N 322 117.990 117.990 118.032 -0.042 17490 8881 1 15 . 1 1 32 32 LYS HA H 322 4.331 4.331 4.471 -0.140 17490 8882 1 15 . 1 1 32 32 LYS C C 322 176.804 176.804 176.194 0.610 17490 8883 1 15 . 1 1 32 32 LYS CA C 322 55.545 55.545 56.027 -0.482 17490 8884 1 15 . 1 1 32 32 LYS CB C 322 31.942 31.942 33.160 -1.218 17490 8885 1 15 . 1 1 32 32 LYS H H 322 8.053 8.053 8.012 0.041 17490 8886 1 15 . 1 1 33 33 VAL N N 323 119.570 119.570 117.811 1.759 17490 8887 1 15 . 1 1 33 33 VAL HA H 323 3.922 3.922 4.294 -0.372 17490 8888 1 15 . 1 1 33 33 VAL C C 323 173.362 173.362 174.540 -1.178 17490 8889 1 15 . 1 1 33 33 VAL CA C 323 63.294 63.294 60.435 2.859 17490 8890 1 15 . 1 1 33 33 VAL CB C 323 32.410 32.410 33.736 -1.326 17490 8891 1 15 . 1 1 33 33 VAL H H 323 7.333 7.333 7.400 -0.067 17490 8892 1 15 . 1 1 34 34 SER N N 324 118.908 118.908 115.992 2.916 17490 8893 1 15 . 1 1 34 34 SER HA H 324 5.104 5.104 4.927 0.177 17490 8894 1 15 . 1 1 34 34 SER CA C 324 55.114 55.114 55.561 -0.447 17490 8895 1 15 . 1 1 34 34 SER CB C 324 64.522 64.522 64.536 -0.014 17490 8896 1 15 . 1 1 34 34 SER H H 324 7.099 7.099 8.195 -1.096 17490 8897 1 15 . 1 1 35 35 PRO HA H 325 4.038 4.038 4.239 -0.201 17490 8898 1 15 . 1 1 35 35 PRO C C 325 178.107 178.107 178.361 -0.254 17490 8899 1 15 . 1 1 35 35 PRO CA C 325 66.275 66.275 65.354 0.921 17490 8900 1 15 . 1 1 35 35 PRO CB C 325 31.873 31.873 32.011 -0.138 17490 8901 1 15 . 1 1 36 36 SER N N 326 111.480 111.480 115.037 -3.557 17490 8902 1 15 . 1 1 36 36 SER HA H 326 4.179 4.179 4.256 -0.077 17490 8903 1 15 . 1 1 36 36 SER C C 326 176.897 176.897 176.811 0.086 17490 8904 1 15 . 1 1 36 36 SER CA C 326 61.731 61.731 60.647 1.085 17490 8905 1 15 . 1 1 36 36 SER CB C 326 62.211 62.211 62.509 -0.298 17490 8906 1 15 . 1 1 36 36 SER H H 326 8.172 8.172 8.309 -0.137 17490 8907 1 15 . 1 1 37 37 LEU N N 327 123.898 123.898 122.109 1.789 17490 8908 1 15 . 1 1 37 37 LEU HA H 327 4.311 4.311 4.064 0.247 17490 8909 1 15 . 1 1 37 37 LEU C C 327 180.292 180.292 178.707 1.585 17490 8910 1 15 . 1 1 37 37 LEU CA C 327 57.921 57.921 57.659 0.262 17490 8911 1 15 . 1 1 37 37 LEU CB C 327 42.694 42.694 41.622 1.072 17490 8912 1 15 . 1 1 37 37 LEU H H 327 7.751 7.751 8.128 -0.377 17490 8913 1 15 . 1 1 38 38 ILE N N 328 119.411 119.411 119.541 -0.130 17490 8914 1 15 . 1 1 38 38 ILE HA H 328 3.627 3.627 3.734 -0.107 17490 8915 1 15 . 1 1 38 38 ILE C C 328 176.884 176.884 177.744 -0.860 17490 8916 1 15 . 1 1 38 38 ILE CA C 328 65.153 65.153 64.491 0.662 17490 8917 1 15 . 1 1 38 38 ILE CB C 328 37.446 37.446 38.002 -0.556 17490 8918 1 15 . 1 1 38 38 ILE H H 328 7.636 7.636 7.277 0.359 17490 8919 1 15 . 1 1 39 39 CYS N N 329 120.430 120.430 118.654 1.776 17490 8920 1 15 . 1 1 39 39 CYS HA H 329 3.743 3.743 3.931 -0.188 17490 8921 1 15 . 1 1 39 39 CYS C C 329 176.205 176.205 177.023 -0.818 17490 8922 1 15 . 1 1 39 39 CYS CA C 329 63.564 63.564 63.634 -0.070 17490 8923 1 15 . 1 1 39 39 CYS CB C 329 26.285 26.285 27.137 -0.852 17490 8924 1 15 . 1 1 39 39 CYS H H 329 8.640 8.640 7.493 1.147 17490 8925 1 15 . 1 1 40 40 GLN N N 330 118.263 118.263 119.563 -1.300 17490 8926 1 15 . 1 1 40 40 GLN HA H 330 4.099 4.099 4.007 0.092 17490 8927 1 15 . 1 1 40 40 GLN C C 330 177.445 177.445 178.622 -1.177 17490 8928 1 15 . 1 1 40 40 GLN CA C 330 59.496 59.496 58.411 1.085 17490 8929 1 15 . 1 1 40 40 GLN CB C 330 28.469 28.469 27.815 0.654 17490 8930 1 15 . 1 1 40 40 GLN H H 330 8.213 8.213 8.124 0.089 17490 8931 1 15 . 1 1 41 41 PHE N N 331 121.411 121.411 120.539 0.872 17490 8932 1 15 . 1 1 41 41 PHE HA H 331 4.661 4.661 4.203 0.458 17490 8933 1 15 . 1 1 41 41 PHE C C 331 177.475 177.475 177.439 0.036 17490 8934 1 15 . 1 1 41 41 PHE CA C 331 60.181 60.181 60.904 -0.723 17490 8935 1 15 . 1 1 41 41 PHE CB C 331 39.561 39.561 38.970 0.591 17490 8936 1 15 . 1 1 41 41 PHE H H 331 7.806 7.806 8.098 -0.292 17490 8937 1 15 . 1 1 42 42 LEU N N 332 119.016 119.016 120.041 -1.025 17490 8938 1 15 . 1 1 42 42 LEU HA H 332 3.508 3.508 3.670 -0.162 17490 8939 1 15 . 1 1 42 42 LEU C C 332 178.495 178.495 179.006 -0.511 17490 8940 1 15 . 1 1 42 42 LEU CA C 332 57.545 57.545 57.841 -0.296 17490 8941 1 15 . 1 1 42 42 LEU CB C 332 40.880 40.880 41.574 -0.694 17490 8942 1 15 . 1 1 42 42 LEU H H 332 8.436 8.436 7.901 0.535 17490 8943 1 15 . 1 1 43 43 GLN N N 333 116.210 116.210 117.035 -0.825 17490 8944 1 15 . 1 1 43 43 GLN HA H 333 4.590 4.590 4.072 0.518 17490 8945 1 15 . 1 1 43 43 GLN C C 333 178.499 178.499 178.733 -0.234 17490 8946 1 15 . 1 1 43 43 GLN CA C 333 58.875 58.875 58.805 0.070 17490 8947 1 15 . 1 1 43 43 GLN CB C 333 30.846 30.846 28.385 2.461 17490 8948 1 15 . 1 1 43 43 GLN H H 333 8.236 8.236 8.635 -0.399 17490 8949 1 15 . 1 1 44 44 GLU N N 334 117.050 117.050 119.467 -2.417 17490 8950 1 15 . 1 1 44 44 GLU HA H 334 4.116 4.116 4.173 -0.057 17490 8951 1 15 . 1 1 44 44 GLU C C 334 177.407 177.407 177.818 -0.411 17490 8952 1 15 . 1 1 44 44 GLU CA C 334 58.756 58.756 59.130 -0.374 17490 8953 1 15 . 1 1 44 44 GLU CB C 334 30.518 30.518 29.844 0.674 17490 8954 1 15 . 1 1 44 44 GLU H H 334 8.926 8.926 8.501 0.425 17490 8955 1 15 . 1 1 45 45 GLU N N 335 114.950 114.950 117.515 -2.565 17490 8956 1 15 . 1 1 45 45 GLU HA H 335 4.354 4.354 4.264 0.090 17490 8957 1 15 . 1 1 45 45 GLU C C 335 176.873 176.873 178.498 -1.625 17490 8958 1 15 . 1 1 45 45 GLU CA C 335 57.018 57.018 57.277 -0.259 17490 8959 1 15 . 1 1 45 45 GLU CB C 335 29.537 29.537 31.032 -1.496 17490 8960 1 15 . 1 1 45 45 GLU H H 335 8.054 8.054 7.883 0.171 17490 8961 1 15 . 1 1 46 46 ILE N N 336 115.649 115.649 116.013 -0.364 17490 8962 1 15 . 1 1 46 46 ILE HA H 336 3.895 3.895 4.198 -0.303 17490 8963 1 15 . 1 1 46 46 ILE C C 336 175.873 175.873 175.794 0.079 17490 8964 1 15 . 1 1 46 46 ILE CA C 336 58.097 58.097 60.979 -2.882 17490 8965 1 15 . 1 1 46 46 ILE CB C 336 35.077 35.077 37.687 -2.610 17490 8966 1 15 . 1 1 46 46 ILE H H 336 6.749 6.749 7.867 -1.118 17490 8967 1 15 . 1 1 47 47 HIS N N 337 111.685 111.685 118.484 -6.799 17490 8968 1 15 . 1 1 47 47 HIS HA H 337 4.520 4.520 4.368 0.152 17490 8969 1 15 . 1 1 47 47 HIS C C 337 174.787 174.787 174.194 0.593 17490 8970 1 15 . 1 1 47 47 HIS CA C 337 56.387 56.387 57.063 -0.676 17490 8971 1 15 . 1 1 47 47 HIS CB C 337 24.947 24.947 27.788 -2.841 17490 8972 1 15 . 1 1 47 47 HIS H H 337 6.652 6.652 7.715 -1.063 17490 8973 1 15 . 1 1 48 48 ILE N N 338 118.069 118.069 115.954 2.115 17490 8974 1 15 . 1 1 48 48 ILE HA H 338 4.433 4.433 4.453 -0.020 17490 8975 1 15 . 1 1 48 48 ILE C C 338 175.031 175.031 174.920 0.111 17490 8976 1 15 . 1 1 48 48 ILE CA C 338 60.737 60.737 59.578 1.159 17490 8977 1 15 . 1 1 48 48 ILE CB C 338 38.861 38.861 36.722 2.139 17490 8978 1 15 . 1 1 48 48 ILE H H 338 7.963 7.963 7.549 0.414 17490 8979 1 15 . 1 1 49 49 ASN N N 339 123.991 123.991 125.585 -1.594 17490 8980 1 15 . 1 1 49 49 ASN HA H 339 4.691 4.691 4.643 0.048 17490 8981 1 15 . 1 1 49 49 ASN C C 339 176.381 176.381 176.258 0.123 17490 8982 1 15 . 1 1 49 49 ASN CA C 339 53.296 53.296 52.050 1.246 17490 8983 1 15 . 1 1 49 49 ASN CB C 339 40.570 40.570 38.829 1.741 17490 8984 1 15 . 1 1 49 49 ASN H H 339 9.222 9.222 8.034 1.188 17490 8985 1 15 . 1 1 50 50 GLU N N 340 125.549 125.549 117.640 7.909 17490 8986 1 15 . 1 1 50 50 GLU HA H 340 3.792 3.792 3.898 -0.106 17490 8987 1 15 . 1 1 50 50 GLU C C 340 177.988 177.988 177.061 0.927 17490 8988 1 15 . 1 1 50 50 GLU CA C 340 59.807 59.807 59.514 0.293 17490 8989 1 15 . 1 1 50 50 GLU CB C 340 29.143 29.143 29.324 -0.181 17490 8990 1 15 . 1 1 50 50 GLU H H 340 8.971 8.971 8.841 0.130 17490 8991 1 15 . 1 1 51 51 LYS N N 341 116.019 116.019 115.734 0.285 17490 8992 1 15 . 1 1 51 51 LYS HA H 341 4.117 4.117 4.200 -0.083 17490 8993 1 15 . 1 1 51 51 LYS C C 341 177.283 177.283 178.106 -0.823 17490 8994 1 15 . 1 1 51 51 LYS CA C 341 57.718 57.718 57.701 0.017 17490 8995 1 15 . 1 1 51 51 LYS CB C 341 31.650 31.650 32.336 -0.686 17490 8996 1 15 . 1 1 51 51 LYS H H 341 8.424 8.424 7.625 0.799 17490 8997 1 15 . 1 1 52 52 ASP N N 342 117.576 117.576 120.374 -2.798 17490 8998 1 15 . 1 1 52 52 ASP HA H 342 4.444 4.444 4.565 -0.121 17490 8999 1 15 . 1 1 52 52 ASP C C 342 175.454 175.454 175.885 -0.431 17490 9000 1 15 . 1 1 52 52 ASP CA C 342 56.002 56.002 56.642 -0.640 17490 9001 1 15 . 1 1 52 52 ASP CB C 342 41.937 41.937 41.547 0.390 17490 9002 1 15 . 1 1 52 52 ASP H H 342 7.908 7.908 8.159 -0.251 17490 9003 1 15 . 1 1 53 53 ILE N N 343 120.515 120.515 118.253 2.262 17490 9004 1 15 . 1 1 53 53 ILE HA H 343 3.875 3.875 4.168 -0.293 17490 9005 1 15 . 1 1 53 53 ILE C C 343 174.966 174.966 175.105 -0.139 17490 9006 1 15 . 1 1 53 53 ILE CA C 343 61.101 61.101 60.366 0.735 17490 9007 1 15 . 1 1 53 53 ILE CB C 343 39.931 39.931 38.900 1.031 17490 9008 1 15 . 1 1 53 53 ILE H H 343 7.480 7.480 7.529 -0.049 17490 9009 1 15 . 1 1 54 54 ARG N N 344 125.353 125.353 126.950 -1.597 17490 9010 1 15 . 1 1 54 54 ARG HA H 344 4.291 4.291 4.235 0.056 17490 9011 1 15 . 1 1 54 54 ARG C C 344 176.642 176.642 176.329 0.313 17490 9012 1 15 . 1 1 54 54 ARG CA C 344 57.550 57.550 57.963 -0.413 17490 9013 1 15 . 1 1 54 54 ARG CB C 344 30.848 30.848 31.398 -0.550 17490 9014 1 15 . 1 1 54 54 ARG H H 344 9.063 9.063 8.950 0.113 17490 9015 1 15 . 1 1 55 55 LYS N N 345 116.212 116.212 117.103 -0.891 17490 9016 1 15 . 1 1 55 55 LYS HA H 345 4.417 4.417 4.430 -0.013 17490 9017 1 15 . 1 1 55 55 LYS C C 345 173.004 173.004 173.950 -0.946 17490 9018 1 15 . 1 1 55 55 LYS CA C 345 55.873 55.873 56.074 -0.201 17490 9019 1 15 . 1 1 55 55 LYS CB C 345 36.582 36.582 36.693 -0.111 17490 9020 1 15 . 1 1 55 55 LYS H H 345 7.569 7.569 7.595 -0.026 17490 9021 1 15 . 1 1 56 56 ILE N N 346 122.685 122.685 124.201 -1.516 17490 9022 1 15 . 1 1 56 56 ILE HA H 346 4.731 4.731 5.098 -0.367 17490 9023 1 15 . 1 1 56 56 ILE C C 346 174.163 174.163 173.688 0.475 17490 9024 1 15 . 1 1 56 56 ILE CA C 346 60.843 60.843 59.323 1.520 17490 9025 1 15 . 1 1 56 56 ILE CB C 346 40.816 40.816 40.288 0.529 17490 9026 1 15 . 1 1 56 56 ILE H H 346 8.229 8.229 8.361 -0.132 17490 9027 1 15 . 1 1 57 57 LEU N N 347 126.095 126.095 127.618 -1.523 17490 9028 1 15 . 1 1 57 57 LEU HA H 347 4.775 4.775 4.761 0.014 17490 9029 1 15 . 1 1 57 57 LEU C C 347 175.764 175.764 175.160 0.604 17490 9030 1 15 . 1 1 57 57 LEU CA C 347 52.746 52.746 53.203 -0.457 17490 9031 1 15 . 1 1 57 57 LEU CB C 347 45.364 45.364 46.194 -0.830 17490 9032 1 15 . 1 1 57 57 LEU H H 347 9.279 9.279 9.105 0.174 17490 9033 1 15 . 1 1 58 58 LEU N N 348 122.946 122.946 122.389 0.557 17490 9034 1 15 . 1 1 58 58 LEU HA H 348 4.338 4.338 4.471 -0.133 17490 9035 1 15 . 1 1 58 58 LEU C C 348 176.476 176.476 176.663 -0.187 17490 9036 1 15 . 1 1 58 58 LEU CA C 348 55.221 55.221 53.918 1.303 17490 9037 1 15 . 1 1 58 58 LEU CB C 348 41.496 41.496 41.882 -0.386 17490 9038 1 15 . 1 1 58 58 LEU H H 348 8.925 8.925 8.446 0.479 17490 9039 1 15 . 1 1 59 59 VAL N N 349 123.378 123.378 125.617 -2.239 17490 9040 1 15 . 1 1 59 59 VAL HA H 349 4.385 4.385 4.326 0.059 17490 9041 1 15 . 1 1 59 59 VAL C C 349 176.335 176.335 175.777 0.558 17490 9042 1 15 . 1 1 59 59 VAL CA C 349 59.595 59.595 61.674 -2.079 17490 9043 1 15 . 1 1 59 59 VAL CB C 349 31.100 31.100 31.688 -0.588 17490 9044 1 15 . 1 1 59 59 VAL H H 349 8.637 8.637 8.470 0.167 17490 9045 1 15 . 1 1 60 60 SER N N 350 124.152 124.152 120.586 3.566 17490 9046 1 15 . 1 1 60 60 SER HA H 350 3.907 3.907 4.454 -0.547 17490 9047 1 15 . 1 1 60 60 SER C C 350 177.518 177.518 174.151 3.367 17490 9048 1 15 . 1 1 60 60 SER CA C 350 62.261 62.261 59.477 2.784 17490 9049 1 15 . 1 1 60 60 SER CB C 350 62.301 62.301 63.411 -1.110 17490 9050 1 15 . 1 1 60 60 SER H H 350 8.755 8.755 8.735 0.020 17490 9051 1 15 . 1 1 61 61 ASP N N 351 119.224 119.224 122.607 -3.383 17490 9052 1 15 . 1 1 61 61 ASP HA H 351 3.964 3.964 4.283 -0.319 17490 9053 1 15 . 1 1 61 61 ASP C C 351 174.721 174.721 176.777 -2.056 17490 9054 1 15 . 1 1 61 61 ASP CA C 351 56.162 56.162 54.648 1.514 17490 9055 1 15 . 1 1 61 61 ASP CB C 351 40.102 40.102 40.537 -0.435 17490 9056 1 15 . 1 1 61 61 ASP H H 351 9.011 9.011 7.973 1.038 17490 9057 1 15 . 1 1 62 62 PHE N N 352 110.179 110.179 117.245 -7.066 17490 9058 1 15 . 1 1 62 62 PHE HA H 352 3.983 3.983 4.310 -0.327 17490 9059 1 15 . 1 1 62 62 PHE C C 352 173.268 173.268 175.210 -1.942 17490 9060 1 15 . 1 1 62 62 PHE CA C 352 56.221 56.221 58.753 -2.532 17490 9061 1 15 . 1 1 62 62 PHE CB C 352 39.789 39.789 38.544 1.245 17490 9062 1 15 . 1 1 62 62 PHE H H 352 6.702 6.702 6.813 -0.111 17490 9063 1 15 . 1 1 63 63 ASN N N 353 114.980 114.980 113.924 1.056 17490 9064 1 15 . 1 1 63 63 ASN HA H 353 4.665 4.665 4.525 0.140 17490 9065 1 15 . 1 1 63 63 ASN C C 353 174.360 174.360 174.252 0.108 17490 9066 1 15 . 1 1 63 63 ASN CA C 353 54.158 54.158 53.445 0.713 17490 9067 1 15 . 1 1 63 63 ASN CB C 353 37.889 37.889 37.068 0.821 17490 9068 1 15 . 1 1 63 63 ASN H H 353 7.708 7.708 8.034 -0.326 17490 9069 1 15 . 1 1 64 64 GLY N N 354 102.117 102.117 103.789 -1.672 17490 9070 1 15 . 1 1 64 64 GLY C C 354 173.093 173.093 171.711 1.382 17490 9071 1 15 . 1 1 64 64 GLY CA C 354 45.413 45.413 43.843 1.570 17490 9072 1 15 . 1 1 64 64 GLY H H 354 7.722 7.722 7.861 -0.139 17490 9073 1 15 . 1 1 65 65 ALA N N 355 120.262 120.262 121.448 -1.186 17490 9074 1 15 . 1 1 65 65 ALA HA H 355 5.055 5.055 4.974 0.081 17490 9075 1 15 . 1 1 65 65 ALA C C 355 174.731 174.731 175.478 -0.747 17490 9076 1 15 . 1 1 65 65 ALA CA C 355 51.429 51.429 50.967 0.462 17490 9077 1 15 . 1 1 65 65 ALA CB C 355 22.924 22.924 21.380 1.544 17490 9078 1 15 . 1 1 65 65 ALA H H 355 8.785 8.785 8.344 0.441 17490 9079 1 15 . 1 1 66 66 ILE N N 356 121.244 121.244 127.163 -5.919 17490 9080 1 15 . 1 1 66 66 ILE HA H 356 4.711 4.711 5.140 -0.429 17490 9081 1 15 . 1 1 66 66 ILE C C 356 174.154 174.154 173.851 0.303 17490 9082 1 15 . 1 1 66 66 ILE CA C 356 60.570 60.570 60.401 0.169 17490 9083 1 15 . 1 1 66 66 ILE CB C 356 41.943 41.943 39.819 2.123 17490 9084 1 15 . 1 1 66 66 ILE H H 356 9.390 9.390 8.259 1.131 17490 9085 1 15 . 1 1 67 67 ILE N N 357 127.255 127.255 129.316 -2.061 17490 9086 1 15 . 1 1 67 67 ILE HA H 357 4.433 4.433 5.010 -0.577 17490 9087 1 15 . 1 1 67 67 ILE C C 357 174.004 174.004 174.607 -0.603 17490 9088 1 15 . 1 1 67 67 ILE CA C 357 59.826 59.826 60.063 -0.237 17490 9089 1 15 . 1 1 67 67 ILE CB C 357 38.965 38.965 42.518 -3.553 17490 9090 1 15 . 1 1 67 67 ILE H H 357 9.291 9.291 8.669 0.622 17490 9091 1 15 . 1 1 68 68 ILE N N 358 124.623 124.623 126.529 -1.906 17490 9092 1 15 . 1 1 68 68 ILE HA H 358 4.293 4.293 4.865 -0.572 17490 9093 1 15 . 1 1 68 68 ILE C C 358 176.052 176.052 175.936 0.116 17490 9094 1 15 . 1 1 68 68 ILE CA C 358 61.079 61.079 60.170 0.909 17490 9095 1 15 . 1 1 68 68 ILE CB C 358 38.373 38.373 37.733 0.640 17490 9096 1 15 . 1 1 68 68 ILE H H 358 8.681 8.681 8.817 -0.136 17490 9097 1 15 . 1 1 69 69 PHE N N 359 126.100 126.100 125.403 0.697 17490 9098 1 15 . 1 1 69 69 PHE HA H 359 5.130 5.130 4.277 0.853 17490 9099 1 15 . 1 1 69 69 PHE C C 359 175.355 175.355 177.311 -1.956 17490 9100 1 15 . 1 1 69 69 PHE CA C 359 58.156 58.156 62.812 -4.656 17490 9101 1 15 . 1 1 69 69 PHE CB C 359 41.592 41.592 39.379 2.213 17490 9102 1 15 . 1 1 69 69 PHE H H 359 9.086 9.086 8.612 0.474 17490 9103 1 15 . 1 1 70 70 ARG N N 360 115.935 115.935 116.195 -0.260 17490 9104 1 15 . 1 1 70 70 ARG HA H 360 4.068 4.068 4.459 -0.391 17490 9105 1 15 . 1 1 70 70 ARG C C 360 175.099 175.099 174.265 0.834 17490 9106 1 15 . 1 1 70 70 ARG CA C 360 58.594 58.594 56.413 2.181 17490 9107 1 15 . 1 1 70 70 ARG CB C 360 30.664 30.664 32.572 -1.907 17490 9108 1 15 . 1 1 70 70 ARG H H 360 8.268 8.268 8.486 -0.218 17490 9109 1 15 . 1 1 71 71 ASP N N 361 113.892 113.892 115.447 -1.555 17490 9110 1 15 . 1 1 71 71 ASP HA H 361 4.880 4.880 4.877 0.003 17490 9111 1 15 . 1 1 71 71 ASP C C 361 176.087 176.087 176.372 -0.285 17490 9112 1 15 . 1 1 71 71 ASP CA C 361 53.329 53.329 52.916 0.413 17490 9113 1 15 . 1 1 71 71 ASP CB C 361 44.131 44.131 43.736 0.395 17490 9114 1 15 . 1 1 71 71 ASP H H 361 7.673 7.673 7.621 0.052 17490 9115 1 15 . 1 1 72 72 SER N N 362 118.590 118.590 118.474 0.116 17490 9116 1 15 . 1 1 72 72 SER HA H 362 4.310 4.310 4.307 0.003 17490 9117 1 15 . 1 1 72 72 SER C C 362 176.600 176.600 176.359 0.241 17490 9118 1 15 . 1 1 72 72 SER CA C 362 60.739 60.739 61.129 -0.390 17490 9119 1 15 . 1 1 72 72 SER CB C 362 62.872 62.872 63.209 -0.337 17490 9120 1 15 . 1 1 72 72 SER H H 362 9.103 9.103 8.705 0.398 17490 9121 1 15 . 1 1 73 73 LYS N N 363 125.872 125.872 121.688 4.184 17490 9122 1 15 . 1 1 73 73 LYS HA H 363 4.134 4.134 4.077 0.057 17490 9123 1 15 . 1 1 73 73 LYS C C 363 179.386 179.386 178.313 1.073 17490 9124 1 15 . 1 1 73 73 LYS CA C 363 59.283 59.283 58.866 0.417 17490 9125 1 15 . 1 1 73 73 LYS CB C 363 31.491 31.491 32.237 -0.746 17490 9126 1 15 . 1 1 73 73 LYS H H 363 8.332 8.332 8.908 -0.576 17490 9127 1 15 . 1 1 74 74 PHE N N 364 123.145 123.145 118.592 4.553 17490 9128 1 15 . 1 1 74 74 PHE HA H 364 3.968 3.968 4.285 -0.317 17490 9129 1 15 . 1 1 74 74 PHE C C 364 177.819 177.819 176.254 1.565 17490 9130 1 15 . 1 1 74 74 PHE CA C 364 61.588 61.588 59.896 1.692 17490 9131 1 15 . 1 1 74 74 PHE CB C 364 39.963 39.963 39.062 0.901 17490 9132 1 15 . 1 1 74 74 PHE H H 364 8.482 8.482 7.970 0.512 17490 9133 1 15 . 1 1 75 75 ALA N N 365 119.451 119.451 122.005 -2.554 17490 9134 1 15 . 1 1 75 75 ALA HA H 365 3.396 3.396 3.491 -0.095 17490 9135 1 15 . 1 1 75 75 ALA C C 365 178.100 178.100 179.081 -0.981 17490 9136 1 15 . 1 1 75 75 ALA CA C 365 55.584 55.584 55.139 0.445 17490 9137 1 15 . 1 1 75 75 ALA CB C 365 18.265 18.265 17.862 0.403 17490 9138 1 15 . 1 1 75 75 ALA H H 365 7.835 7.835 8.147 -0.312 17490 9139 1 15 . 1 1 76 76 ALA N N 366 117.626 117.626 120.082 -2.456 17490 9140 1 15 . 1 1 76 76 ALA HA H 366 4.033 4.033 4.095 -0.062 17490 9141 1 15 . 1 1 76 76 ALA C C 366 180.569 180.569 179.178 1.391 17490 9142 1 15 . 1 1 76 76 ALA CA C 366 54.996 54.996 54.636 0.360 17490 9143 1 15 . 1 1 76 76 ALA CB C 366 18.040 18.040 18.312 -0.272 17490 9144 1 15 . 1 1 76 76 ALA H H 366 7.680 7.680 7.629 0.051 17490 9145 1 15 . 1 1 77 77 LYS N N 367 118.273 118.273 119.505 -1.232 17490 9146 1 15 . 1 1 77 77 LYS HA H 367 3.998 3.998 3.985 0.013 17490 9147 1 15 . 1 1 77 77 LYS C C 367 178.964 178.964 178.187 0.777 17490 9148 1 15 . 1 1 77 77 LYS CA C 367 58.803 58.803 59.223 -0.420 17490 9149 1 15 . 1 1 77 77 LYS CB C 367 32.106 32.106 32.338 -0.232 17490 9150 1 15 . 1 1 77 77 LYS H H 367 7.302 7.302 7.810 -0.508 17490 9151 1 15 . 1 1 78 78 MET N N 368 117.578 117.578 119.013 -1.435 17490 9152 1 15 . 1 1 78 78 MET HA H 368 4.273 4.273 4.083 0.190 17490 9153 1 15 . 1 1 78 78 MET C C 368 178.167 178.167 177.740 0.427 17490 9154 1 15 . 1 1 78 78 MET CA C 368 55.734 55.734 56.730 -0.996 17490 9155 1 15 . 1 1 78 78 MET CB C 368 32.382 32.382 31.788 0.594 17490 9156 1 15 . 1 1 78 78 MET H H 368 7.785 7.785 7.704 0.081 17490 9157 1 15 . 1 1 79 79 LEU N N 369 120.984 120.984 121.998 -1.014 17490 9158 1 15 . 1 1 79 79 LEU HA H 369 3.786 3.786 3.872 -0.086 17490 9159 1 15 . 1 1 79 79 LEU C C 369 179.060 179.060 179.025 0.035 17490 9160 1 15 . 1 1 79 79 LEU CA C 369 59.377 59.377 58.094 1.283 17490 9161 1 15 . 1 1 79 79 LEU CB C 369 42.354 42.354 41.813 0.541 17490 9162 1 15 . 1 1 79 79 LEU H H 369 8.197 8.197 7.762 0.435 17490 9163 1 15 . 1 1 80 80 MET N N 370 114.071 114.071 115.077 -1.006 17490 9164 1 15 . 1 1 80 80 MET HA H 370 4.277 4.277 4.143 0.134 17490 9165 1 15 . 1 1 80 80 MET C C 370 178.184 178.184 177.840 0.344 17490 9166 1 15 . 1 1 80 80 MET CA C 370 57.627 57.627 58.804 -1.177 17490 9167 1 15 . 1 1 80 80 MET CB C 370 32.543 32.543 33.082 -0.539 17490 9168 1 15 . 1 1 80 80 MET H H 370 7.018 7.018 7.812 -0.794 17490 9169 1 15 . 1 1 81 81 ILE N N 371 118.056 118.056 116.648 1.408 17490 9170 1 15 . 1 1 81 81 ILE HA H 371 3.885 3.885 3.969 -0.084 17490 9171 1 15 . 1 1 81 81 ILE C C 371 177.491 177.491 177.593 -0.102 17490 9172 1 15 . 1 1 81 81 ILE CA C 371 63.571 63.571 62.494 1.077 17490 9173 1 15 . 1 1 81 81 ILE CB C 371 38.716 38.716 37.916 0.800 17490 9174 1 15 . 1 1 81 81 ILE H H 371 7.615 7.615 7.686 -0.071 17490 9175 1 15 . 1 1 82 82 LEU N N 372 116.858 116.858 120.345 -3.487 17490 9176 1 15 . 1 1 82 82 LEU HA H 372 4.100 4.100 4.393 -0.293 17490 9177 1 15 . 1 1 82 82 LEU C C 372 178.360 178.360 176.983 1.377 17490 9178 1 15 . 1 1 82 82 LEU CA C 372 55.929 55.929 56.318 -0.389 17490 9179 1 15 . 1 1 82 82 LEU CB C 372 42.309 42.309 42.937 -0.628 17490 9180 1 15 . 1 1 82 82 LEU H H 372 8.160 8.160 8.360 -0.200 17490 9181 1 15 . 1 1 83 83 ASN N N 373 117.015 117.015 117.306 -0.291 17490 9182 1 15 . 1 1 83 83 ASN HA H 373 4.348 4.348 4.698 -0.350 17490 9183 1 15 . 1 1 83 83 ASN C C 373 175.671 175.671 175.010 0.661 17490 9184 1 15 . 1 1 83 83 ASN CA C 373 55.793 55.793 54.496 1.297 17490 9185 1 15 . 1 1 83 83 ASN CB C 373 38.434 38.434 38.551 -0.117 17490 9186 1 15 . 1 1 83 83 ASN H H 373 7.058 7.058 7.999 -0.941 17490 9187 1 15 . 1 1 84 84 GLY N N 374 116.878 116.878 111.610 5.268 17490 9188 1 15 . 1 1 84 84 GLY C C 374 174.602 174.602 173.755 0.847 17490 9189 1 15 . 1 1 84 84 GLY CA C 374 45.842 45.842 45.130 0.712 17490 9190 1 15 . 1 1 84 84 GLY H H 374 9.053 9.053 8.266 0.787 17490 9191 1 15 . 1 1 85 85 SER N N 375 116.615 116.615 115.602 1.013 17490 9192 1 15 . 1 1 85 85 SER HA H 375 4.407 4.407 4.813 -0.406 17490 9193 1 15 . 1 1 85 85 SER C C 375 171.580 171.580 173.269 -1.689 17490 9194 1 15 . 1 1 85 85 SER CA C 375 59.280 59.280 56.715 2.565 17490 9195 1 15 . 1 1 85 85 SER CB C 375 64.303 64.303 65.202 -0.899 17490 9196 1 15 . 1 1 85 85 SER H H 375 7.666 7.666 8.225 -0.559 17490 9197 1 15 . 1 1 86 86 GLN N N 376 117.824 117.824 119.502 -1.678 17490 9198 1 15 . 1 1 86 86 GLN HA H 376 4.893 4.893 5.405 -0.512 17490 9199 1 15 . 1 1 86 86 GLN C C 376 175.033 175.033 174.812 0.221 17490 9200 1 15 . 1 1 86 86 GLN CA C 376 54.885 54.885 55.109 -0.224 17490 9201 1 15 . 1 1 86 86 GLN CB C 376 30.733 30.733 31.419 -0.686 17490 9202 1 15 . 1 1 86 86 GLN H H 376 8.381 8.381 8.449 -0.068 17490 9203 1 15 . 1 1 87 87 PHE N N 377 124.095 124.095 123.805 0.290 17490 9204 1 15 . 1 1 87 87 PHE HA H 377 4.472 4.472 4.758 -0.286 17490 9205 1 15 . 1 1 87 87 PHE C C 377 174.760 174.760 174.573 0.187 17490 9206 1 15 . 1 1 87 87 PHE CA C 377 56.009 56.009 58.428 -2.418 17490 9207 1 15 . 1 1 87 87 PHE CB C 377 41.519 41.519 41.897 -0.378 17490 9208 1 15 . 1 1 87 87 PHE H H 377 8.974 8.974 8.712 0.262 17490 9209 1 15 . 1 1 88 88 GLN N N 378 126.108 126.108 120.292 5.816 17490 9210 1 15 . 1 1 88 88 GLN HA H 378 3.505 3.505 4.071 -0.566 17490 9211 1 15 . 1 1 88 88 GLN C C 378 176.162 176.162 175.185 0.977 17490 9212 1 15 . 1 1 88 88 GLN CA C 378 56.570 56.570 56.278 0.292 17490 9213 1 15 . 1 1 88 88 GLN CB C 378 26.070 26.070 27.663 -1.593 17490 9214 1 15 . 1 1 88 88 GLN H H 378 9.139 9.139 9.010 0.129 17490 9215 1 15 . 1 1 89 89 GLY N N 379 103.132 103.132 103.548 -0.416 17490 9216 1 15 . 1 1 89 89 GLY C C 379 173.587 173.587 173.631 -0.044 17490 9217 1 15 . 1 1 89 89 GLY CA C 379 45.382 45.382 45.154 0.228 17490 9218 1 15 . 1 1 89 89 GLY H H 379 8.580 8.580 8.183 0.397 17490 9219 1 15 . 1 1 90 90 LYS N N 380 119.783 119.783 118.355 1.428 17490 9220 1 15 . 1 1 90 90 LYS HA H 380 4.697 4.697 4.618 0.079 17490 9221 1 15 . 1 1 90 90 LYS C C 380 174.500 174.500 174.666 -0.166 17490 9222 1 15 . 1 1 90 90 LYS CA C 380 54.019 54.019 54.873 -0.854 17490 9223 1 15 . 1 1 90 90 LYS CB C 380 35.919 35.919 35.609 0.310 17490 9224 1 15 . 1 1 90 90 LYS H H 380 7.457 7.457 7.494 -0.037 17490 9225 1 15 . 1 1 91 91 VAL N N 381 121.517 121.517 123.045 -1.528 17490 9226 1 15 . 1 1 91 91 VAL HA H 381 4.294 4.294 4.902 -0.608 17490 9227 1 15 . 1 1 91 91 VAL C C 381 176.729 176.729 175.552 1.177 17490 9228 1 15 . 1 1 91 91 VAL CA C 381 63.176 63.176 61.355 1.821 17490 9229 1 15 . 1 1 91 91 VAL CB C 381 32.073 32.073 32.502 -0.429 17490 9230 1 15 . 1 1 91 91 VAL H H 381 8.256 8.256 8.393 -0.137 17490 9231 1 15 . 1 1 92 92 ILE N N 382 124.746 124.746 125.981 -1.235 17490 9232 1 15 . 1 1 92 92 ILE HA H 382 4.533 4.533 4.598 -0.065 17490 9233 1 15 . 1 1 92 92 ILE C C 382 173.501 173.501 174.115 -0.614 17490 9234 1 15 . 1 1 92 92 ILE CA C 382 59.249 59.249 59.084 0.165 17490 9235 1 15 . 1 1 92 92 ILE CB C 382 41.995 41.995 38.430 3.565 17490 9236 1 15 . 1 1 92 92 ILE H H 382 8.788 8.788 8.350 0.438 17490 9237 1 15 . 1 1 93 93 ARG N N 383 119.723 119.723 124.309 -4.586 17490 9238 1 15 . 1 1 93 93 ARG HA H 383 4.608 4.608 4.758 -0.150 17490 9239 1 15 . 1 1 93 93 ARG C C 383 173.979 173.979 173.989 -0.010 17490 9240 1 15 . 1 1 93 93 ARG CA C 383 53.178 53.178 54.160 -0.982 17490 9241 1 15 . 1 1 93 93 ARG CB C 383 31.724 31.724 33.386 -1.662 17490 9242 1 15 . 1 1 93 93 ARG H H 383 8.500 8.500 8.484 0.016 17490 9243 1 15 . 1 1 94 94 SER N N 384 110.386 110.386 113.457 -3.071 17490 9244 1 15 . 1 1 94 94 SER HA H 384 5.685 5.685 4.993 0.692 17490 9245 1 15 . 1 1 94 94 SER C C 384 174.791 174.791 173.193 1.598 17490 9246 1 15 . 1 1 94 94 SER CA C 384 54.419 54.419 56.289 -1.870 17490 9247 1 15 . 1 1 94 94 SER CB C 384 67.147 67.147 65.160 1.987 17490 9248 1 15 . 1 1 94 94 SER H H 384 7.700 7.700 8.509 -0.809 17490 9249 1 15 . 1 1 95 95 GLY N N 385 106.738 106.738 107.581 -0.843 17490 9250 1 15 . 1 1 95 95 GLY C C 385 171.619 171.619 172.569 -0.950 17490 9251 1 15 . 1 1 95 95 GLY CA C 385 45.904 45.904 45.762 0.142 17490 9252 1 15 . 1 1 95 95 GLY H H 385 8.360 8.360 8.234 0.126 17490 9253 1 15 . 1 1 96 96 THR N N 386 111.493 111.493 112.693 -1.200 17490 9254 1 15 . 1 1 96 96 THR HA H 386 4.604 4.604 4.796 -0.192 17490 9255 1 15 . 1 1 96 96 THR C C 386 175.600 175.600 176.045 -0.445 17490 9256 1 15 . 1 1 96 96 THR CA C 386 60.901 60.901 60.442 0.459 17490 9257 1 15 . 1 1 96 96 THR CB C 386 71.709 71.709 71.124 0.585 17490 9258 1 15 . 1 1 96 96 THR H H 386 9.274 9.274 8.754 0.520 17490 9259 1 15 . 1 1 97 97 ILE N N 387 121.293 121.293 118.129 3.164 17490 9260 1 15 . 1 1 97 97 ILE HA H 387 3.881 3.881 3.922 -0.041 17490 9261 1 15 . 1 1 97 97 ILE C C 387 178.109 178.109 177.485 0.624 17490 9262 1 15 . 1 1 97 97 ILE CA C 387 65.826 65.826 62.996 2.830 17490 9263 1 15 . 1 1 97 97 ILE CB C 387 37.717 37.717 36.629 1.088 17490 9264 1 15 . 1 1 97 97 ILE H H 387 9.339 9.339 8.364 0.975 17490 9265 1 15 . 1 1 98 98 ASN N N 388 117.358 117.358 119.272 -1.914 17490 9266 1 15 . 1 1 98 98 ASN HA H 388 4.224 4.224 4.355 -0.131 17490 9267 1 15 . 1 1 98 98 ASN C C 388 178.040 178.040 176.881 1.159 17490 9268 1 15 . 1 1 98 98 ASN CA C 388 56.205 56.205 56.442 -0.237 17490 9269 1 15 . 1 1 98 98 ASN CB C 388 37.719 37.719 38.352 -0.633 17490 9270 1 15 . 1 1 98 98 ASN H H 388 8.162 8.162 8.493 -0.331 17490 9271 1 15 . 1 1 99 99 ASP N N 389 121.336 121.336 119.485 1.851 17490 9272 1 15 . 1 1 99 99 ASP HA H 389 4.236 4.236 4.042 0.194 17490 9273 1 15 . 1 1 99 99 ASP C C 389 177.813 177.813 177.520 0.293 17490 9274 1 15 . 1 1 99 99 ASP CA C 389 57.639 57.639 56.792 0.847 17490 9275 1 15 . 1 1 99 99 ASP CB C 389 40.497 40.497 40.111 0.386 17490 9276 1 15 . 1 1 99 99 ASP H H 389 7.865 7.865 8.183 -0.318 17490 9277 1 15 . 1 1 100 100 MET N N 390 122.932 122.932 116.621 6.311 17490 9278 1 15 . 1 1 100 100 MET HA H 390 4.499 4.499 3.832 0.667 17490 9279 1 15 . 1 1 100 100 MET C C 390 178.081 178.081 177.834 0.247 17490 9280 1 15 . 1 1 100 100 MET CA C 390 58.402 58.402 58.541 -0.139 17490 9281 1 15 . 1 1 100 100 MET CB C 390 32.263 32.263 32.428 -0.165 17490 9282 1 15 . 1 1 100 100 MET H H 390 7.874 7.874 7.082 0.792 17490 9283 1 15 . 1 1 101 101 LYS N N 391 118.764 118.764 119.566 -0.802 17490 9284 1 15 . 1 1 101 101 LYS HA H 391 3.484 3.484 4.241 -0.757 17490 9285 1 15 . 1 1 101 101 LYS C C 391 178.102 178.102 179.370 -1.268 17490 9286 1 15 . 1 1 101 101 LYS CA C 391 60.070 60.070 58.803 1.268 17490 9287 1 15 . 1 1 101 101 LYS CB C 391 32.468 32.468 31.571 0.897 17490 9288 1 15 . 1 1 101 101 LYS H H 391 7.994 7.994 8.006 -0.012 17490 9289 1 15 . 1 1 102 102 ARG N N 392 118.974 118.974 120.159 -1.185 17490 9290 1 15 . 1 1 102 102 ARG HA H 392 3.971 3.971 4.100 -0.129 17490 9291 1 15 . 1 1 102 102 ARG C C 392 178.433 178.433 178.725 -0.292 17490 9292 1 15 . 1 1 102 102 ARG CA C 392 59.485 59.485 58.406 1.079 17490 9293 1 15 . 1 1 102 102 ARG CB C 392 30.282 30.282 29.523 0.759 17490 9294 1 15 . 1 1 102 102 ARG H H 392 8.088 8.088 7.821 0.267 17490 9295 1 15 . 1 1 103 103 TYR N N 393 119.904 119.904 119.477 0.427 17490 9296 1 15 . 1 1 103 103 TYR HA H 393 4.017 4.017 4.191 -0.174 17490 9297 1 15 . 1 1 103 103 TYR C C 393 177.819 177.819 178.737 -0.918 17490 9298 1 15 . 1 1 103 103 TYR CA C 393 61.926 61.926 59.888 2.038 17490 9299 1 15 . 1 1 103 103 TYR CB C 393 39.373 39.373 37.355 2.018 17490 9300 1 15 . 1 1 103 103 TYR H H 393 8.058 8.058 7.838 0.220 17490 9301 1 15 . 1 1 104 104 TYR N N 394 119.418 119.418 120.694 -1.276 17490 9302 1 15 . 1 1 104 104 TYR HA H 394 4.167 4.167 4.415 -0.248 17490 9303 1 15 . 1 1 104 104 TYR C C 394 177.920 177.920 177.325 0.595 17490 9304 1 15 . 1 1 104 104 TYR CA C 394 61.764 61.764 60.273 1.491 17490 9305 1 15 . 1 1 104 104 TYR CB C 394 39.162 39.162 38.437 0.725 17490 9306 1 15 . 1 1 104 104 TYR H H 394 7.846 7.846 8.838 -0.992 17490 9307 1 15 . 1 1 105 105 ASN N N 395 117.373 117.373 118.175 -0.802 17490 9308 1 15 . 1 1 105 105 ASN HA H 395 4.414 4.414 4.039 0.375 17490 9309 1 15 . 1 1 105 105 ASN C C 395 176.906 176.906 177.358 -0.452 17490 9310 1 15 . 1 1 105 105 ASN CA C 395 55.691 55.691 56.778 -1.087 17490 9311 1 15 . 1 1 105 105 ASN CB C 395 38.472 38.472 38.078 0.394 17490 9312 1 15 . 1 1 105 105 ASN H H 395 8.499 8.499 8.184 0.315 17490 9313 1 15 . 1 1 106 106 ASN N N 396 118.101 118.101 117.801 0.300 17490 9314 1 15 . 1 1 106 106 ASN HA H 396 4.531 4.531 4.537 -0.006 17490 9315 1 15 . 1 1 106 106 ASN C C 396 176.450 176.450 177.537 -1.087 17490 9316 1 15 . 1 1 106 106 ASN CA C 396 54.775 54.775 55.592 -0.817 17490 9317 1 15 . 1 1 106 106 ASN CB C 396 38.543 38.543 38.610 -0.067 17490 9318 1 15 . 1 1 106 106 ASN H H 396 8.081 8.081 8.131 -0.050 17490 9319 1 15 . 1 1 107 107 GLN N N 397 118.903 118.903 119.040 -0.137 17490 9320 1 15 . 1 1 107 107 GLN HA H 397 3.977 3.977 4.202 -0.225 17490 9321 1 15 . 1 1 107 107 GLN C C 397 176.907 176.907 177.898 -0.991 17490 9322 1 15 . 1 1 107 107 GLN CA C 397 56.815 56.815 58.219 -1.404 17490 9323 1 15 . 1 1 107 107 GLN CB C 397 28.610 28.610 28.761 -0.151 17490 9324 1 15 . 1 1 107 107 GLN H H 397 7.772 7.772 7.903 -0.131 17490 9325 1 15 . 1 1 108 108 GLN N N 398 118.101 118.101 116.997 1.104 17490 9326 1 15 . 1 1 108 108 GLN HA H 398 3.920 3.920 4.117 -0.197 17490 9327 1 15 . 1 1 108 108 GLN C C 398 176.321 176.321 176.478 -0.157 17490 9328 1 15 . 1 1 108 108 GLN CA C 398 56.554 56.554 57.002 -0.448 17490 9329 1 15 . 1 1 108 108 GLN CB C 398 28.650 28.650 29.040 -0.390 17490 9330 1 15 . 1 1 108 108 GLN H H 398 7.854 7.854 8.084 -0.230 17490 9331 1 16 . 1 1 3 3 LEU N N 293 125.082 125.082 123.408 1.674 17490 9332 1 16 . 1 1 3 3 LEU HA H 293 4.292 4.292 4.662 -0.370 17490 9333 1 16 . 1 1 3 3 LEU C C 293 177.442 177.442 176.791 0.651 17490 9334 1 16 . 1 1 3 3 LEU CA C 293 55.523 55.523 53.848 1.675 17490 9335 1 16 . 1 1 3 3 LEU CB C 293 42.516 42.516 43.846 -1.330 17490 9336 1 16 . 1 1 3 3 LEU H H 293 8.321 8.321 7.906 0.415 17490 9337 1 16 . 1 1 4 4 GLU N N 294 122.906 122.906 125.615 -2.709 17490 9338 1 16 . 1 1 4 4 GLU HA H 294 4.069 4.069 3.861 0.208 17490 9339 1 16 . 1 1 4 4 GLU C C 294 177.158 177.158 178.816 -1.658 17490 9340 1 16 . 1 1 4 4 GLU CA C 294 58.307 58.307 60.316 -2.009 17490 9341 1 16 . 1 1 4 4 GLU CB C 294 29.676 29.676 29.654 0.022 17490 9342 1 16 . 1 1 4 4 GLU H H 294 8.521 8.521 8.971 -0.450 17490 9343 1 16 . 1 1 5 5 ARG N N 295 120.270 120.270 116.577 3.693 17490 9344 1 16 . 1 1 5 5 ARG HA H 295 4.131 4.131 4.036 0.095 17490 9345 1 16 . 1 1 5 5 ARG C C 295 177.768 177.768 178.946 -1.178 17490 9346 1 16 . 1 1 5 5 ARG CA C 295 58.082 58.082 59.840 -1.758 17490 9347 1 16 . 1 1 5 5 ARG CB C 295 30.192 30.192 29.957 0.235 17490 9348 1 16 . 1 1 5 5 ARG H H 295 8.327 8.327 8.590 -0.263 17490 9349 1 16 . 1 1 6 6 ASN N N 296 118.639 118.639 118.815 -0.176 17490 9350 1 16 . 1 1 6 6 ASN HA H 296 4.554 4.554 4.550 0.004 17490 9351 1 16 . 1 1 6 6 ASN C C 296 176.830 176.830 177.702 -0.872 17490 9352 1 16 . 1 1 6 6 ASN CA C 296 54.901 54.901 56.623 -1.722 17490 9353 1 16 . 1 1 6 6 ASN CB C 296 38.115 38.115 38.379 -0.264 17490 9354 1 16 . 1 1 6 6 ASN H H 296 8.257 8.257 7.840 0.417 17490 9355 1 16 . 1 1 7 7 GLU N N 297 123.935 123.935 120.930 3.005 17490 9356 1 16 . 1 1 7 7 GLU HA H 297 4.266 4.266 4.176 0.090 17490 9357 1 16 . 1 1 7 7 GLU C C 297 178.102 178.102 179.259 -1.157 17490 9358 1 16 . 1 1 7 7 GLU CA C 297 58.897 58.897 59.150 -0.253 17490 9359 1 16 . 1 1 7 7 GLU CB C 297 29.814 29.814 29.569 0.245 17490 9360 1 16 . 1 1 7 7 GLU H H 297 8.185 8.185 8.136 0.049 17490 9361 1 16 . 1 1 8 8 VAL N N 298 118.916 118.916 120.529 -1.613 17490 9362 1 16 . 1 1 8 8 VAL HA H 298 3.399 3.399 3.627 -0.228 17490 9363 1 16 . 1 1 8 8 VAL C C 298 177.131 177.131 177.682 -0.551 17490 9364 1 16 . 1 1 8 8 VAL CA C 298 67.619 67.619 66.611 1.008 17490 9365 1 16 . 1 1 8 8 VAL CB C 298 32.041 32.041 31.694 0.347 17490 9366 1 16 . 1 1 8 8 VAL H H 298 8.095 8.095 8.652 -0.557 17490 9367 1 16 . 1 1 9 9 LYS N N 299 117.791 117.791 120.040 -2.249 17490 9368 1 16 . 1 1 9 9 LYS HA H 299 3.804 3.804 4.067 -0.263 17490 9369 1 16 . 1 1 9 9 LYS C C 299 179.259 179.259 178.349 0.910 17490 9370 1 16 . 1 1 9 9 LYS CA C 299 59.806 59.806 59.544 0.263 17490 9371 1 16 . 1 1 9 9 LYS CB C 299 32.290 32.290 32.262 0.028 17490 9372 1 16 . 1 1 9 9 LYS H H 299 7.771 7.771 7.905 -0.134 17490 9373 1 16 . 1 1 10 10 ARG N N 300 119.032 119.032 119.343 -0.311 17490 9374 1 16 . 1 1 10 10 ARG HA H 300 3.934 3.934 4.083 -0.149 17490 9375 1 16 . 1 1 10 10 ARG C C 300 179.680 179.680 178.929 0.751 17490 9376 1 16 . 1 1 10 10 ARG CA C 300 59.444 59.444 59.204 0.240 17490 9377 1 16 . 1 1 10 10 ARG CB C 300 30.190 30.190 29.986 0.204 17490 9378 1 16 . 1 1 10 10 ARG H H 300 7.834 7.834 8.144 -0.310 17490 9379 1 16 . 1 1 11 11 LEU N N 301 120.881 120.881 118.373 2.508 17490 9380 1 16 . 1 1 11 11 LEU HA H 301 3.890 3.890 4.149 -0.259 17490 9381 1 16 . 1 1 11 11 LEU C C 301 178.937 178.937 178.243 0.694 17490 9382 1 16 . 1 1 11 11 LEU CA C 301 58.067 58.067 56.596 1.471 17490 9383 1 16 . 1 1 11 11 LEU CB C 301 42.051 42.051 42.108 -0.057 17490 9384 1 16 . 1 1 11 11 LEU H H 301 8.147 8.147 7.722 0.425 17490 9385 1 16 . 1 1 12 12 LEU N N 302 116.294 116.294 118.333 -2.039 17490 9386 1 16 . 1 1 12 12 LEU HA H 302 3.874 3.874 3.955 -0.081 17490 9387 1 16 . 1 1 12 12 LEU C C 302 177.360 177.360 178.233 -0.873 17490 9388 1 16 . 1 1 12 12 LEU CA C 302 57.498 57.498 57.301 0.197 17490 9389 1 16 . 1 1 12 12 LEU CB C 302 41.506 41.506 42.251 -0.745 17490 9390 1 16 . 1 1 12 12 LEU H H 302 8.331 8.331 7.643 0.688 17490 9391 1 16 . 1 1 13 13 ALA N N 303 117.998 117.998 117.932 0.066 17490 9392 1 16 . 1 1 13 13 ALA HA H 303 4.480 4.480 4.303 0.177 17490 9393 1 16 . 1 1 13 13 ALA C C 303 177.554 177.554 177.501 0.053 17490 9394 1 16 . 1 1 13 13 ALA CA C 303 51.290 51.290 52.126 -0.836 17490 9395 1 16 . 1 1 13 13 ALA CB C 303 19.810 19.810 19.838 -0.028 17490 9396 1 16 . 1 1 13 13 ALA H H 303 7.109 7.109 7.746 -0.637 17490 9397 1 16 . 1 1 14 14 SER N N 304 114.833 114.833 114.268 0.565 17490 9398 1 16 . 1 1 14 14 SER HA H 304 4.175 4.175 4.146 0.029 17490 9399 1 16 . 1 1 14 14 SER C C 304 175.762 175.762 174.695 1.067 17490 9400 1 16 . 1 1 14 14 SER CA C 304 59.344 59.344 59.002 0.342 17490 9401 1 16 . 1 1 14 14 SER CB C 304 63.704 63.704 63.642 0.062 17490 9402 1 16 . 1 1 14 14 SER H H 304 7.265 7.265 7.762 -0.497 17490 9403 1 16 . 1 1 15 15 ARG N N 305 125.370 125.370 126.081 -0.711 17490 9404 1 16 . 1 1 15 15 ARG HA H 305 4.555 4.555 4.329 0.226 17490 9405 1 16 . 1 1 15 15 ARG C C 305 175.442 175.442 176.457 -1.015 17490 9406 1 16 . 1 1 15 15 ARG CA C 305 54.847 54.847 56.171 -1.324 17490 9407 1 16 . 1 1 15 15 ARG CB C 305 30.415 30.415 30.876 -0.461 17490 9408 1 16 . 1 1 15 15 ARG H H 305 8.872 8.872 8.591 0.281 17490 9409 1 16 . 1 1 16 16 ASN N N 306 120.536 120.536 119.535 1.001 17490 9410 1 16 . 1 1 16 16 ASN HA H 306 4.774 4.774 4.666 0.108 17490 9411 1 16 . 1 1 16 16 ASN C C 306 175.146 175.146 176.417 -1.271 17490 9412 1 16 . 1 1 16 16 ASN CA C 306 52.434 52.434 53.474 -1.040 17490 9413 1 16 . 1 1 16 16 ASN CB C 306 38.294 38.294 38.575 -0.281 17490 9414 1 16 . 1 1 16 16 ASN H H 306 8.367 8.367 8.015 0.352 17490 9415 1 16 . 1 1 17 17 SER N N 307 121.694 121.694 123.384 -1.690 17490 9416 1 16 . 1 1 17 17 SER HA H 307 4.090 4.090 4.337 -0.247 17490 9417 1 16 . 1 1 17 17 SER C C 307 175.970 175.970 174.946 1.024 17490 9418 1 16 . 1 1 17 17 SER CA C 307 61.484 61.484 59.621 1.863 17490 9419 1 16 . 1 1 17 17 SER CB C 307 62.850 62.850 62.730 0.120 17490 9420 1 16 . 1 1 17 17 SER H H 307 8.656 8.656 8.828 -0.172 17490 9421 1 16 . 1 1 18 18 LYS N N 308 120.961 120.961 122.318 -1.357 17490 9422 1 16 . 1 1 18 18 LYS HA H 308 4.115 4.115 4.306 -0.191 17490 9423 1 16 . 1 1 18 18 LYS C C 308 178.999 178.999 178.109 0.890 17490 9424 1 16 . 1 1 18 18 LYS CA C 308 58.606 58.606 58.748 -0.142 17490 9425 1 16 . 1 1 18 18 LYS CB C 308 31.614 31.614 32.189 -0.575 17490 9426 1 16 . 1 1 18 18 LYS H H 308 8.060 8.060 7.653 0.407 17490 9427 1 16 . 1 1 19 19 GLU N N 309 118.377 118.377 120.239 -1.862 17490 9428 1 16 . 1 1 19 19 GLU HA H 309 4.198 4.198 4.206 -0.008 17490 9429 1 16 . 1 1 19 19 GLU C C 309 178.136 178.136 178.618 -0.482 17490 9430 1 16 . 1 1 19 19 GLU CA C 309 57.939 57.939 59.089 -1.150 17490 9431 1 16 . 1 1 19 19 GLU CB C 309 30.115 30.115 29.566 0.549 17490 9432 1 16 . 1 1 19 19 GLU H H 309 7.520 7.520 7.732 -0.212 17490 9433 1 16 . 1 1 20 20 LEU N N 310 118.101 118.101 117.575 0.526 17490 9434 1 16 . 1 1 20 20 LEU HA H 310 4.168 4.168 4.153 0.015 17490 9435 1 16 . 1 1 20 20 LEU C C 310 179.112 179.112 178.158 0.954 17490 9436 1 16 . 1 1 20 20 LEU CA C 310 56.583 56.583 57.198 -0.615 17490 9437 1 16 . 1 1 20 20 LEU CB C 310 41.611 41.611 41.614 -0.003 17490 9438 1 16 . 1 1 20 20 LEU H H 310 7.741 7.741 7.589 0.152 17490 9439 1 16 . 1 1 21 21 GLU N N 311 116.130 116.130 118.978 -2.848 17490 9440 1 16 . 1 1 21 21 GLU HA H 311 4.342 4.342 4.132 0.210 17490 9441 1 16 . 1 1 21 21 GLU C C 311 176.928 176.928 178.546 -1.618 17490 9442 1 16 . 1 1 21 21 GLU CA C 311 58.216 58.216 58.762 -0.546 17490 9443 1 16 . 1 1 21 21 GLU CB C 311 29.608 29.608 29.446 0.162 17490 9444 1 16 . 1 1 21 21 GLU H H 311 7.747 7.747 7.631 0.116 17490 9445 1 16 . 1 1 22 22 THR N N 312 106.131 106.131 117.847 -11.716 17490 9446 1 16 . 1 1 22 22 THR HA H 312 4.182 4.182 4.159 0.023 17490 9447 1 16 . 1 1 22 22 THR C C 312 172.032 172.032 175.978 -3.946 17490 9448 1 16 . 1 1 22 22 THR CA C 312 61.539 61.539 66.340 -4.801 17490 9449 1 16 . 1 1 22 22 THR CB C 312 69.426 69.426 68.950 0.476 17490 9450 1 16 . 1 1 22 22 THR H H 312 7.446 7.446 7.910 -0.464 17490 9451 1 16 . 1 1 23 23 LEU N N 313 120.178 120.178 116.999 3.179 17490 9452 1 16 . 1 1 23 23 LEU HA H 313 5.869 5.869 4.864 1.005 17490 9453 1 16 . 1 1 23 23 LEU C C 313 175.604 175.604 175.283 0.321 17490 9454 1 16 . 1 1 23 23 LEU CA C 313 52.838 52.838 54.027 -1.189 17490 9455 1 16 . 1 1 23 23 LEU CB C 313 46.851 46.851 44.604 2.247 17490 9456 1 16 . 1 1 23 23 LEU H H 313 7.538 7.538 7.758 -0.220 17490 9457 1 16 . 1 1 24 24 ILE N N 314 113.990 113.990 109.718 4.272 17490 9458 1 16 . 1 1 24 24 ILE HA H 314 4.717 4.717 4.585 0.132 17490 9459 1 16 . 1 1 24 24 ILE C C 314 173.530 173.530 173.874 -0.344 17490 9460 1 16 . 1 1 24 24 ILE CA C 314 59.368 59.368 59.333 0.035 17490 9461 1 16 . 1 1 24 24 ILE CB C 314 42.319 42.319 41.582 0.737 17490 9462 1 16 . 1 1 24 24 ILE H H 314 8.904 8.904 8.157 0.747 17490 9463 1 16 . 1 1 25 25 CYS N N 315 117.755 117.755 120.705 -2.950 17490 9464 1 16 . 1 1 25 25 CYS HA H 315 5.914 5.914 5.596 0.318 17490 9465 1 16 . 1 1 25 25 CYS C C 315 174.153 174.153 174.733 -0.580 17490 9466 1 16 . 1 1 25 25 CYS CA C 315 57.187 57.187 57.793 -0.606 17490 9467 1 16 . 1 1 25 25 CYS CB C 315 31.754 31.754 28.676 3.078 17490 9468 1 16 . 1 1 25 25 CYS H H 315 9.021 9.021 8.795 0.226 17490 9469 1 16 . 1 1 26 26 LEU N N 316 119.952 119.952 126.400 -6.448 17490 9470 1 16 . 1 1 26 26 LEU HA H 316 5.363 5.363 4.570 0.793 17490 9471 1 16 . 1 1 26 26 LEU C C 316 176.015 176.015 175.443 0.572 17490 9472 1 16 . 1 1 26 26 LEU CA C 316 53.072 53.072 54.796 -1.724 17490 9473 1 16 . 1 1 26 26 LEU CB C 316 45.891 45.891 42.819 3.072 17490 9474 1 16 . 1 1 26 26 LEU H H 316 8.778 8.778 9.105 -0.327 17490 9475 1 16 . 1 1 27 27 PHE N N 317 116.116 116.116 125.541 -9.425 17490 9476 1 16 . 1 1 27 27 PHE HA H 317 4.158 4.158 5.125 -0.967 17490 9477 1 16 . 1 1 27 27 PHE CA C 317 55.594 55.594 54.743 0.851 17490 9478 1 16 . 1 1 27 27 PHE CB C 317 37.765 37.765 40.165 -2.400 17490 9479 1 16 . 1 1 27 27 PHE H H 317 7.827 7.827 9.098 -1.271 17490 9480 1 16 . 1 1 28 28 PRO HA H 318 5.322 5.322 4.456 0.866 17490 9481 1 16 . 1 1 28 28 PRO C C 318 175.163 175.163 174.819 0.344 17490 9482 1 16 . 1 1 28 28 PRO CA C 318 61.657 61.657 62.411 -0.754 17490 9483 1 16 . 1 1 28 28 PRO CB C 318 34.356 34.356 31.871 2.485 17490 9484 1 16 . 1 1 29 29 LEU N N 319 120.206 120.206 117.443 2.763 17490 9485 1 16 . 1 1 29 29 LEU HA H 319 4.674 4.674 4.602 0.072 17490 9486 1 16 . 1 1 29 29 LEU C C 319 176.806 176.806 175.732 1.074 17490 9487 1 16 . 1 1 29 29 LEU CA C 319 52.817 52.817 53.125 -0.308 17490 9488 1 16 . 1 1 29 29 LEU CB C 319 45.029 45.029 42.402 2.627 17490 9489 1 16 . 1 1 29 29 LEU H H 319 8.365 8.365 7.024 1.341 17490 9490 1 16 . 1 1 30 30 SER N N 320 117.220 117.220 117.868 -0.648 17490 9491 1 16 . 1 1 30 30 SER HA H 320 4.475 4.475 4.384 0.091 17490 9492 1 16 . 1 1 30 30 SER C C 320 174.677 174.677 175.341 -0.664 17490 9493 1 16 . 1 1 30 30 SER CA C 320 57.768 57.768 57.425 0.343 17490 9494 1 16 . 1 1 30 30 SER CB C 320 64.118 64.118 65.389 -1.271 17490 9495 1 16 . 1 1 30 30 SER H H 320 8.652 8.652 8.427 0.225 17490 9496 1 16 . 1 1 31 31 ASP N N 321 121.514 121.514 120.548 0.966 17490 9497 1 16 . 1 1 31 31 ASP HA H 321 4.471 4.471 4.581 -0.110 17490 9498 1 16 . 1 1 31 31 ASP C C 321 176.811 176.811 176.210 0.601 17490 9499 1 16 . 1 1 31 31 ASP CA C 321 55.388 55.388 55.663 -0.275 17490 9500 1 16 . 1 1 31 31 ASP CB C 321 40.060 40.060 40.526 -0.466 17490 9501 1 16 . 1 1 31 31 ASP H H 321 8.587 8.587 8.652 -0.065 17490 9502 1 16 . 1 1 32 32 LYS N N 322 117.990 117.990 118.059 -0.069 17490 9503 1 16 . 1 1 32 32 LYS HA H 322 4.331 4.331 4.411 -0.080 17490 9504 1 16 . 1 1 32 32 LYS C C 322 176.804 176.804 175.388 1.416 17490 9505 1 16 . 1 1 32 32 LYS CA C 322 55.545 55.545 55.622 -0.077 17490 9506 1 16 . 1 1 32 32 LYS CB C 322 31.942 31.942 33.337 -1.395 17490 9507 1 16 . 1 1 32 32 LYS H H 322 8.053 8.053 7.752 0.301 17490 9508 1 16 . 1 1 33 33 VAL N N 323 119.570 119.570 118.413 1.157 17490 9509 1 16 . 1 1 33 33 VAL HA H 323 3.922 3.922 4.276 -0.354 17490 9510 1 16 . 1 1 33 33 VAL C C 323 173.362 173.362 174.913 -1.551 17490 9511 1 16 . 1 1 33 33 VAL CA C 323 63.294 63.294 59.464 3.830 17490 9512 1 16 . 1 1 33 33 VAL CB C 323 32.410 32.410 34.010 -1.599 17490 9513 1 16 . 1 1 33 33 VAL H H 323 7.333 7.333 7.455 -0.122 17490 9514 1 16 . 1 1 34 34 SER N N 324 118.908 118.908 115.740 3.168 17490 9515 1 16 . 1 1 34 34 SER HA H 324 5.104 5.104 4.965 0.139 17490 9516 1 16 . 1 1 34 34 SER CA C 324 55.114 55.114 55.554 -0.440 17490 9517 1 16 . 1 1 34 34 SER CB C 324 64.522 64.522 65.431 -0.909 17490 9518 1 16 . 1 1 34 34 SER H H 324 7.099 7.099 8.196 -1.097 17490 9519 1 16 . 1 1 35 35 PRO HA H 325 4.038 4.038 4.293 -0.255 17490 9520 1 16 . 1 1 35 35 PRO C C 325 178.107 178.107 178.472 -0.365 17490 9521 1 16 . 1 1 35 35 PRO CA C 325 66.275 66.275 65.595 0.680 17490 9522 1 16 . 1 1 35 35 PRO CB C 325 31.873 31.873 32.031 -0.158 17490 9523 1 16 . 1 1 36 36 SER N N 326 111.480 111.480 115.008 -3.528 17490 9524 1 16 . 1 1 36 36 SER HA H 326 4.179 4.179 4.243 -0.064 17490 9525 1 16 . 1 1 36 36 SER C C 326 176.897 176.897 176.729 0.168 17490 9526 1 16 . 1 1 36 36 SER CA C 326 61.731 61.731 61.234 0.497 17490 9527 1 16 . 1 1 36 36 SER CB C 326 62.211 62.211 62.527 -0.316 17490 9528 1 16 . 1 1 36 36 SER H H 326 8.172 8.172 8.264 -0.092 17490 9529 1 16 . 1 1 37 37 LEU N N 327 123.898 123.898 121.269 2.629 17490 9530 1 16 . 1 1 37 37 LEU HA H 327 4.311 4.311 4.060 0.251 17490 9531 1 16 . 1 1 37 37 LEU C C 327 180.292 180.292 178.677 1.615 17490 9532 1 16 . 1 1 37 37 LEU CA C 327 57.921 57.921 57.690 0.231 17490 9533 1 16 . 1 1 37 37 LEU CB C 327 42.694 42.694 41.521 1.173 17490 9534 1 16 . 1 1 37 37 LEU H H 327 7.751 7.751 8.227 -0.476 17490 9535 1 16 . 1 1 38 38 ILE N N 328 119.411 119.411 119.746 -0.335 17490 9536 1 16 . 1 1 38 38 ILE HA H 328 3.627 3.627 3.747 -0.120 17490 9537 1 16 . 1 1 38 38 ILE C C 328 176.884 176.884 177.954 -1.070 17490 9538 1 16 . 1 1 38 38 ILE CA C 328 65.153 65.153 65.196 -0.043 17490 9539 1 16 . 1 1 38 38 ILE CB C 328 37.446 37.446 38.137 -0.691 17490 9540 1 16 . 1 1 38 38 ILE H H 328 7.636 7.636 7.513 0.123 17490 9541 1 16 . 1 1 39 39 CYS N N 329 120.430 120.430 118.077 2.353 17490 9542 1 16 . 1 1 39 39 CYS HA H 329 3.743 3.743 4.069 -0.326 17490 9543 1 16 . 1 1 39 39 CYS C C 329 176.205 176.205 177.187 -0.982 17490 9544 1 16 . 1 1 39 39 CYS CA C 329 63.564 63.564 62.822 0.742 17490 9545 1 16 . 1 1 39 39 CYS CB C 329 26.285 26.285 26.531 -0.246 17490 9546 1 16 . 1 1 39 39 CYS H H 329 8.640 8.640 7.555 1.085 17490 9547 1 16 . 1 1 40 40 GLN N N 330 118.263 118.263 119.530 -1.267 17490 9548 1 16 . 1 1 40 40 GLN HA H 330 4.099 4.099 4.028 0.071 17490 9549 1 16 . 1 1 40 40 GLN C C 330 177.445 177.445 178.839 -1.394 17490 9550 1 16 . 1 1 40 40 GLN CA C 330 59.496 59.496 58.597 0.899 17490 9551 1 16 . 1 1 40 40 GLN CB C 330 28.469 28.469 27.939 0.530 17490 9552 1 16 . 1 1 40 40 GLN H H 330 8.213 8.213 8.075 0.138 17490 9553 1 16 . 1 1 41 41 PHE N N 331 121.411 121.411 120.561 0.850 17490 9554 1 16 . 1 1 41 41 PHE HA H 331 4.661 4.661 4.210 0.451 17490 9555 1 16 . 1 1 41 41 PHE C C 331 177.475 177.475 177.105 0.370 17490 9556 1 16 . 1 1 41 41 PHE CA C 331 60.181 60.181 60.681 -0.500 17490 9557 1 16 . 1 1 41 41 PHE CB C 331 39.561 39.561 39.065 0.496 17490 9558 1 16 . 1 1 41 41 PHE H H 331 7.806 7.806 8.093 -0.287 17490 9559 1 16 . 1 1 42 42 LEU N N 332 119.016 119.016 119.966 -0.950 17490 9560 1 16 . 1 1 42 42 LEU HA H 332 3.508 3.508 3.676 -0.168 17490 9561 1 16 . 1 1 42 42 LEU C C 332 178.495 178.495 179.058 -0.563 17490 9562 1 16 . 1 1 42 42 LEU CA C 332 57.545 57.545 57.871 -0.326 17490 9563 1 16 . 1 1 42 42 LEU CB C 332 40.880 40.880 41.525 -0.645 17490 9564 1 16 . 1 1 42 42 LEU H H 332 8.436 8.436 7.986 0.451 17490 9565 1 16 . 1 1 43 43 GLN N N 333 116.210 116.210 116.330 -0.120 17490 9566 1 16 . 1 1 43 43 GLN HA H 333 4.590 4.590 4.073 0.517 17490 9567 1 16 . 1 1 43 43 GLN C C 333 178.499 178.499 178.392 0.107 17490 9568 1 16 . 1 1 43 43 GLN CA C 333 58.875 58.875 58.522 0.353 17490 9569 1 16 . 1 1 43 43 GLN CB C 333 30.846 30.846 28.364 2.482 17490 9570 1 16 . 1 1 43 43 GLN H H 333 8.236 8.236 8.601 -0.365 17490 9571 1 16 . 1 1 44 44 GLU N N 334 117.050 117.050 119.929 -2.879 17490 9572 1 16 . 1 1 44 44 GLU HA H 334 4.116 4.116 3.850 0.266 17490 9573 1 16 . 1 1 44 44 GLU C C 334 177.407 177.407 177.280 0.127 17490 9574 1 16 . 1 1 44 44 GLU CA C 334 58.756 58.756 59.007 -0.251 17490 9575 1 16 . 1 1 44 44 GLU CB C 334 30.518 30.518 29.990 0.528 17490 9576 1 16 . 1 1 44 44 GLU H H 334 8.926 8.926 7.837 1.089 17490 9577 1 16 . 1 1 45 45 GLU N N 335 114.950 114.950 117.152 -2.202 17490 9578 1 16 . 1 1 45 45 GLU HA H 335 4.354 4.354 4.165 0.189 17490 9579 1 16 . 1 1 45 45 GLU C C 335 176.873 176.873 178.363 -1.490 17490 9580 1 16 . 1 1 45 45 GLU CA C 335 57.018 57.018 57.531 -0.513 17490 9581 1 16 . 1 1 45 45 GLU CB C 335 29.537 29.537 29.845 -0.308 17490 9582 1 16 . 1 1 45 45 GLU H H 335 8.054 8.054 7.945 0.109 17490 9583 1 16 . 1 1 46 46 ILE N N 336 115.649 115.649 116.840 -1.191 17490 9584 1 16 . 1 1 46 46 ILE HA H 336 3.895 3.895 4.077 -0.182 17490 9585 1 16 . 1 1 46 46 ILE C C 336 175.873 175.873 176.007 -0.134 17490 9586 1 16 . 1 1 46 46 ILE CA C 336 58.097 58.097 61.685 -3.588 17490 9587 1 16 . 1 1 46 46 ILE CB C 336 35.077 35.077 37.823 -2.746 17490 9588 1 16 . 1 1 46 46 ILE H H 336 6.749 6.749 7.175 -0.426 17490 9589 1 16 . 1 1 47 47 HIS N N 337 111.685 111.685 115.021 -3.336 17490 9590 1 16 . 1 1 47 47 HIS HA H 337 4.520 4.520 4.330 0.190 17490 9591 1 16 . 1 1 47 47 HIS C C 337 174.787 174.787 174.653 0.134 17490 9592 1 16 . 1 1 47 47 HIS CA C 337 56.387 56.387 57.026 -0.639 17490 9593 1 16 . 1 1 47 47 HIS CB C 337 24.947 24.947 27.466 -2.519 17490 9594 1 16 . 1 1 47 47 HIS H H 337 6.652 6.652 7.688 -1.036 17490 9595 1 16 . 1 1 48 48 ILE N N 338 118.069 118.069 115.654 2.415 17490 9596 1 16 . 1 1 48 48 ILE HA H 338 4.433 4.433 4.285 0.148 17490 9597 1 16 . 1 1 48 48 ILE C C 338 175.031 175.031 175.214 -0.183 17490 9598 1 16 . 1 1 48 48 ILE CA C 338 60.737 60.737 59.803 0.934 17490 9599 1 16 . 1 1 48 48 ILE CB C 338 38.861 38.861 36.645 2.216 17490 9600 1 16 . 1 1 48 48 ILE H H 338 7.963 7.963 7.332 0.631 17490 9601 1 16 . 1 1 49 49 ASN N N 339 123.991 123.991 126.320 -2.329 17490 9602 1 16 . 1 1 49 49 ASN HA H 339 4.691 4.691 4.755 -0.064 17490 9603 1 16 . 1 1 49 49 ASN C C 339 176.381 176.381 176.353 0.028 17490 9604 1 16 . 1 1 49 49 ASN CA C 339 53.296 53.296 52.892 0.404 17490 9605 1 16 . 1 1 49 49 ASN CB C 339 40.570 40.570 39.591 0.979 17490 9606 1 16 . 1 1 49 49 ASN H H 339 9.222 9.222 8.100 1.122 17490 9607 1 16 . 1 1 50 50 GLU N N 340 125.549 125.549 118.144 7.405 17490 9608 1 16 . 1 1 50 50 GLU HA H 340 3.792 3.792 4.033 -0.241 17490 9609 1 16 . 1 1 50 50 GLU C C 340 177.988 177.988 176.645 1.343 17490 9610 1 16 . 1 1 50 50 GLU CA C 340 59.807 59.807 59.049 0.758 17490 9611 1 16 . 1 1 50 50 GLU CB C 340 29.143 29.143 29.466 -0.323 17490 9612 1 16 . 1 1 50 50 GLU H H 340 8.971 8.971 8.878 0.093 17490 9613 1 16 . 1 1 51 51 LYS N N 341 116.019 116.019 114.129 1.890 17490 9614 1 16 . 1 1 51 51 LYS HA H 341 4.117 4.117 4.302 -0.185 17490 9615 1 16 . 1 1 51 51 LYS C C 341 177.283 177.283 176.151 1.132 17490 9616 1 16 . 1 1 51 51 LYS CA C 341 57.718 57.718 56.721 0.997 17490 9617 1 16 . 1 1 51 51 LYS CB C 341 31.650 31.650 32.033 -0.383 17490 9618 1 16 . 1 1 51 51 LYS H H 341 8.424 8.424 7.851 0.573 17490 9619 1 16 . 1 1 52 52 ASP N N 342 117.576 117.576 118.821 -1.245 17490 9620 1 16 . 1 1 52 52 ASP HA H 342 4.444 4.444 4.769 -0.325 17490 9621 1 16 . 1 1 52 52 ASP C C 342 175.454 175.454 175.265 0.189 17490 9622 1 16 . 1 1 52 52 ASP CA C 342 56.002 56.002 54.715 1.287 17490 9623 1 16 . 1 1 52 52 ASP CB C 342 41.937 41.937 43.392 -1.455 17490 9624 1 16 . 1 1 52 52 ASP H H 342 7.908 7.908 7.768 0.140 17490 9625 1 16 . 1 1 53 53 ILE N N 343 120.515 120.515 119.302 1.213 17490 9626 1 16 . 1 1 53 53 ILE HA H 343 3.875 3.875 4.170 -0.295 17490 9627 1 16 . 1 1 53 53 ILE C C 343 174.966 174.966 175.179 -0.213 17490 9628 1 16 . 1 1 53 53 ILE CA C 343 61.101 61.101 60.337 0.764 17490 9629 1 16 . 1 1 53 53 ILE CB C 343 39.931 39.931 38.998 0.933 17490 9630 1 16 . 1 1 53 53 ILE H H 343 7.480 7.480 7.829 -0.349 17490 9631 1 16 . 1 1 54 54 ARG N N 344 125.353 125.353 126.622 -1.269 17490 9632 1 16 . 1 1 54 54 ARG HA H 344 4.291 4.291 4.206 0.085 17490 9633 1 16 . 1 1 54 54 ARG C C 344 176.642 176.642 176.598 0.044 17490 9634 1 16 . 1 1 54 54 ARG CA C 344 57.550 57.550 58.099 -0.549 17490 9635 1 16 . 1 1 54 54 ARG CB C 344 30.848 30.848 31.408 -0.560 17490 9636 1 16 . 1 1 54 54 ARG H H 344 9.063 9.063 9.036 0.027 17490 9637 1 16 . 1 1 55 55 LYS N N 345 116.212 116.212 116.235 -0.023 17490 9638 1 16 . 1 1 55 55 LYS HA H 345 4.417 4.417 4.510 -0.093 17490 9639 1 16 . 1 1 55 55 LYS C C 345 173.004 173.004 173.998 -0.994 17490 9640 1 16 . 1 1 55 55 LYS CA C 345 55.873 55.873 55.693 0.180 17490 9641 1 16 . 1 1 55 55 LYS CB C 345 36.582 36.582 36.865 -0.283 17490 9642 1 16 . 1 1 55 55 LYS H H 345 7.569 7.569 7.571 -0.002 17490 9643 1 16 . 1 1 56 56 ILE N N 346 122.685 122.685 122.873 -0.188 17490 9644 1 16 . 1 1 56 56 ILE HA H 346 4.731 4.731 5.034 -0.303 17490 9645 1 16 . 1 1 56 56 ILE C C 346 174.163 174.163 173.673 0.490 17490 9646 1 16 . 1 1 56 56 ILE CA C 346 60.843 60.843 59.670 1.173 17490 9647 1 16 . 1 1 56 56 ILE CB C 346 40.816 40.816 40.359 0.457 17490 9648 1 16 . 1 1 56 56 ILE H H 346 8.229 8.229 8.359 -0.130 17490 9649 1 16 . 1 1 57 57 LEU N N 347 126.095 126.095 127.567 -1.472 17490 9650 1 16 . 1 1 57 57 LEU HA H 347 4.775 4.775 4.996 -0.221 17490 9651 1 16 . 1 1 57 57 LEU C C 347 175.764 175.764 175.373 0.391 17490 9652 1 16 . 1 1 57 57 LEU CA C 347 52.746 52.746 52.979 -0.233 17490 9653 1 16 . 1 1 57 57 LEU CB C 347 45.364 45.364 45.776 -0.413 17490 9654 1 16 . 1 1 57 57 LEU H H 347 9.279 9.279 8.831 0.448 17490 9655 1 16 . 1 1 58 58 LEU N N 348 122.946 122.946 121.739 1.207 17490 9656 1 16 . 1 1 58 58 LEU HA H 348 4.338 4.338 4.643 -0.305 17490 9657 1 16 . 1 1 58 58 LEU C C 348 176.476 176.476 176.905 -0.429 17490 9658 1 16 . 1 1 58 58 LEU CA C 348 55.221 55.221 53.791 1.430 17490 9659 1 16 . 1 1 58 58 LEU CB C 348 41.496 41.496 41.877 -0.381 17490 9660 1 16 . 1 1 58 58 LEU H H 348 8.925 8.925 9.221 -0.296 17490 9661 1 16 . 1 1 59 59 VAL N N 349 123.378 123.378 125.046 -1.668 17490 9662 1 16 . 1 1 59 59 VAL HA H 349 4.385 4.385 4.451 -0.066 17490 9663 1 16 . 1 1 59 59 VAL C C 349 176.335 176.335 175.069 1.266 17490 9664 1 16 . 1 1 59 59 VAL CA C 349 59.595 59.595 61.710 -2.115 17490 9665 1 16 . 1 1 59 59 VAL CB C 349 31.100 31.100 30.674 0.426 17490 9666 1 16 . 1 1 59 59 VAL H H 349 8.637 8.637 8.261 0.376 17490 9667 1 16 . 1 1 60 60 SER N N 350 124.152 124.152 117.810 6.342 17490 9668 1 16 . 1 1 60 60 SER HA H 350 3.907 3.907 4.619 -0.712 17490 9669 1 16 . 1 1 60 60 SER C C 350 177.518 177.518 174.074 3.444 17490 9670 1 16 . 1 1 60 60 SER CA C 350 62.261 62.261 60.275 1.986 17490 9671 1 16 . 1 1 60 60 SER CB C 350 62.301 62.301 63.718 -1.417 17490 9672 1 16 . 1 1 60 60 SER H H 350 8.755 8.755 8.227 0.528 17490 9673 1 16 . 1 1 61 61 ASP N N 351 119.224 119.224 119.907 -0.683 17490 9674 1 16 . 1 1 61 61 ASP HA H 351 3.964 3.964 4.399 -0.435 17490 9675 1 16 . 1 1 61 61 ASP C C 351 174.721 174.721 174.489 0.232 17490 9676 1 16 . 1 1 61 61 ASP CA C 351 56.162 56.162 54.263 1.899 17490 9677 1 16 . 1 1 61 61 ASP CB C 351 40.102 40.102 39.552 0.550 17490 9678 1 16 . 1 1 61 61 ASP H H 351 9.011 9.011 8.076 0.935 17490 9679 1 16 . 1 1 62 62 PHE N N 352 110.179 110.179 113.827 -3.648 17490 9680 1 16 . 1 1 62 62 PHE HA H 352 3.983 3.983 4.421 -0.438 17490 9681 1 16 . 1 1 62 62 PHE C C 352 173.268 173.268 173.972 -0.704 17490 9682 1 16 . 1 1 62 62 PHE CA C 352 56.221 56.221 57.562 -1.341 17490 9683 1 16 . 1 1 62 62 PHE CB C 352 39.789 39.789 38.987 0.802 17490 9684 1 16 . 1 1 62 62 PHE H H 352 6.702 6.702 7.423 -0.721 17490 9685 1 16 . 1 1 63 63 ASN N N 353 114.980 114.980 118.622 -3.642 17490 9686 1 16 . 1 1 63 63 ASN HA H 353 4.665 4.665 4.707 -0.042 17490 9687 1 16 . 1 1 63 63 ASN C C 353 174.360 174.360 174.027 0.333 17490 9688 1 16 . 1 1 63 63 ASN CA C 353 54.158 54.158 54.186 -0.028 17490 9689 1 16 . 1 1 63 63 ASN CB C 353 37.889 37.889 38.047 -0.159 17490 9690 1 16 . 1 1 63 63 ASN H H 353 7.708 7.708 8.275 -0.567 17490 9691 1 16 . 1 1 64 64 GLY N N 354 102.117 102.117 106.316 -4.199 17490 9692 1 16 . 1 1 64 64 GLY C C 354 173.093 173.093 171.520 1.573 17490 9693 1 16 . 1 1 64 64 GLY CA C 354 45.413 45.413 45.856 -0.443 17490 9694 1 16 . 1 1 64 64 GLY H H 354 7.722 7.722 8.351 -0.629 17490 9695 1 16 . 1 1 65 65 ALA N N 355 120.262 120.262 121.212 -0.950 17490 9696 1 16 . 1 1 65 65 ALA HA H 355 5.055 5.055 4.960 0.095 17490 9697 1 16 . 1 1 65 65 ALA C C 355 174.731 174.731 174.641 0.090 17490 9698 1 16 . 1 1 65 65 ALA CA C 355 51.429 51.429 51.098 0.331 17490 9699 1 16 . 1 1 65 65 ALA CB C 355 22.924 22.924 22.684 0.240 17490 9700 1 16 . 1 1 65 65 ALA H H 355 8.785 8.785 8.480 0.305 17490 9701 1 16 . 1 1 66 66 ILE N N 356 121.244 121.244 124.818 -3.574 17490 9702 1 16 . 1 1 66 66 ILE HA H 356 4.711 4.711 5.240 -0.529 17490 9703 1 16 . 1 1 66 66 ILE C C 356 174.154 174.154 173.623 0.531 17490 9704 1 16 . 1 1 66 66 ILE CA C 356 60.570 60.570 59.530 1.040 17490 9705 1 16 . 1 1 66 66 ILE CB C 356 41.943 41.943 40.659 1.284 17490 9706 1 16 . 1 1 66 66 ILE H H 356 9.390 9.390 8.333 1.057 17490 9707 1 16 . 1 1 67 67 ILE N N 357 127.255 127.255 129.013 -1.758 17490 9708 1 16 . 1 1 67 67 ILE HA H 357 4.433 4.433 4.899 -0.466 17490 9709 1 16 . 1 1 67 67 ILE C C 357 174.004 174.004 174.740 -0.736 17490 9710 1 16 . 1 1 67 67 ILE CA C 357 59.826 59.826 60.166 -0.340 17490 9711 1 16 . 1 1 67 67 ILE CB C 357 38.965 38.965 42.687 -3.722 17490 9712 1 16 . 1 1 67 67 ILE H H 357 9.291 9.291 8.735 0.556 17490 9713 1 16 . 1 1 68 68 ILE N N 358 124.623 124.623 126.069 -1.446 17490 9714 1 16 . 1 1 68 68 ILE HA H 358 4.293 4.293 4.415 -0.122 17490 9715 1 16 . 1 1 68 68 ILE C C 358 176.052 176.052 175.987 0.065 17490 9716 1 16 . 1 1 68 68 ILE CA C 358 61.079 61.079 60.911 0.168 17490 9717 1 16 . 1 1 68 68 ILE CB C 358 38.373 38.373 37.249 1.124 17490 9718 1 16 . 1 1 68 68 ILE H H 358 8.681 8.681 8.144 0.537 17490 9719 1 16 . 1 1 69 69 PHE N N 359 126.100 126.100 126.846 -0.746 17490 9720 1 16 . 1 1 69 69 PHE HA H 359 5.130 5.130 4.263 0.867 17490 9721 1 16 . 1 1 69 69 PHE C C 359 175.355 175.355 177.285 -1.930 17490 9722 1 16 . 1 1 69 69 PHE CA C 359 58.156 58.156 62.688 -4.532 17490 9723 1 16 . 1 1 69 69 PHE CB C 359 41.592 41.592 39.433 2.159 17490 9724 1 16 . 1 1 69 69 PHE H H 359 9.086 9.086 8.748 0.338 17490 9725 1 16 . 1 1 70 70 ARG N N 360 115.935 115.935 113.946 1.989 17490 9726 1 16 . 1 1 70 70 ARG HA H 360 4.068 4.068 4.536 -0.468 17490 9727 1 16 . 1 1 70 70 ARG C C 360 175.099 175.099 174.178 0.921 17490 9728 1 16 . 1 1 70 70 ARG CA C 360 58.594 58.594 56.101 2.493 17490 9729 1 16 . 1 1 70 70 ARG CB C 360 30.664 30.664 32.045 -1.381 17490 9730 1 16 . 1 1 70 70 ARG H H 360 8.268 8.268 8.680 -0.412 17490 9731 1 16 . 1 1 71 71 ASP N N 361 113.892 113.892 116.512 -2.620 17490 9732 1 16 . 1 1 71 71 ASP HA H 361 4.880 4.880 4.686 0.194 17490 9733 1 16 . 1 1 71 71 ASP C C 361 176.087 176.087 175.218 0.869 17490 9734 1 16 . 1 1 71 71 ASP CA C 361 53.329 53.329 53.862 -0.533 17490 9735 1 16 . 1 1 71 71 ASP CB C 361 44.131 44.131 41.973 2.158 17490 9736 1 16 . 1 1 71 71 ASP H H 361 7.673 7.673 7.975 -0.302 17490 9737 1 16 . 1 1 72 72 SER N N 362 118.590 118.590 116.980 1.610 17490 9738 1 16 . 1 1 72 72 SER HA H 362 4.310 4.310 4.483 -0.173 17490 9739 1 16 . 1 1 72 72 SER C C 362 176.600 176.600 176.435 0.165 17490 9740 1 16 . 1 1 72 72 SER CA C 362 60.739 60.739 60.999 -0.260 17490 9741 1 16 . 1 1 72 72 SER CB C 362 62.872 62.872 63.322 -0.450 17490 9742 1 16 . 1 1 72 72 SER H H 362 9.103 9.103 8.788 0.315 17490 9743 1 16 . 1 1 73 73 LYS N N 363 125.872 125.872 122.311 3.561 17490 9744 1 16 . 1 1 73 73 LYS HA H 363 4.134 4.134 4.060 0.074 17490 9745 1 16 . 1 1 73 73 LYS C C 363 179.386 179.386 178.699 0.687 17490 9746 1 16 . 1 1 73 73 LYS CA C 363 59.283 59.283 58.766 0.517 17490 9747 1 16 . 1 1 73 73 LYS CB C 363 31.491 31.491 32.248 -0.757 17490 9748 1 16 . 1 1 73 73 LYS H H 363 8.332 8.332 8.528 -0.196 17490 9749 1 16 . 1 1 74 74 PHE N N 364 123.145 123.145 119.412 3.733 17490 9750 1 16 . 1 1 74 74 PHE HA H 364 3.968 3.968 4.342 -0.374 17490 9751 1 16 . 1 1 74 74 PHE C C 364 177.819 177.819 176.702 1.117 17490 9752 1 16 . 1 1 74 74 PHE CA C 364 61.588 61.588 60.015 1.573 17490 9753 1 16 . 1 1 74 74 PHE CB C 364 39.963 39.963 39.106 0.857 17490 9754 1 16 . 1 1 74 74 PHE H H 364 8.482 8.482 8.415 0.067 17490 9755 1 16 . 1 1 75 75 ALA N N 365 119.451 119.451 122.611 -3.160 17490 9756 1 16 . 1 1 75 75 ALA HA H 365 3.396 3.396 3.514 -0.118 17490 9757 1 16 . 1 1 75 75 ALA C C 365 178.100 178.100 179.129 -1.029 17490 9758 1 16 . 1 1 75 75 ALA CA C 365 55.584 55.584 55.169 0.415 17490 9759 1 16 . 1 1 75 75 ALA CB C 365 18.265 18.265 17.821 0.444 17490 9760 1 16 . 1 1 75 75 ALA H H 365 7.835 7.835 8.262 -0.427 17490 9761 1 16 . 1 1 76 76 ALA N N 366 117.626 117.626 119.861 -2.235 17490 9762 1 16 . 1 1 76 76 ALA HA H 366 4.033 4.033 4.056 -0.023 17490 9763 1 16 . 1 1 76 76 ALA C C 366 180.569 180.569 179.295 1.274 17490 9764 1 16 . 1 1 76 76 ALA CA C 366 54.996 54.996 54.625 0.371 17490 9765 1 16 . 1 1 76 76 ALA CB C 366 18.040 18.040 18.234 -0.194 17490 9766 1 16 . 1 1 76 76 ALA H H 366 7.680 7.680 7.819 -0.139 17490 9767 1 16 . 1 1 77 77 LYS N N 367 118.273 118.273 119.635 -1.362 17490 9768 1 16 . 1 1 77 77 LYS HA H 367 3.998 3.998 3.993 0.005 17490 9769 1 16 . 1 1 77 77 LYS C C 367 178.964 178.964 178.279 0.685 17490 9770 1 16 . 1 1 77 77 LYS CA C 367 58.803 58.803 59.054 -0.251 17490 9771 1 16 . 1 1 77 77 LYS CB C 367 32.106 32.106 32.280 -0.174 17490 9772 1 16 . 1 1 77 77 LYS H H 367 7.302 7.302 7.816 -0.514 17490 9773 1 16 . 1 1 78 78 MET N N 368 117.578 117.578 118.701 -1.123 17490 9774 1 16 . 1 1 78 78 MET HA H 368 4.273 4.273 4.089 0.184 17490 9775 1 16 . 1 1 78 78 MET C C 368 178.167 178.167 177.807 0.360 17490 9776 1 16 . 1 1 78 78 MET CA C 368 55.734 55.734 56.438 -0.704 17490 9777 1 16 . 1 1 78 78 MET CB C 368 32.382 32.382 31.666 0.716 17490 9778 1 16 . 1 1 78 78 MET H H 368 7.785 7.785 7.806 -0.021 17490 9779 1 16 . 1 1 79 79 LEU N N 369 120.984 120.984 122.256 -1.272 17490 9780 1 16 . 1 1 79 79 LEU HA H 369 3.786 3.786 3.904 -0.118 17490 9781 1 16 . 1 1 79 79 LEU C C 369 179.060 179.060 178.789 0.271 17490 9782 1 16 . 1 1 79 79 LEU CA C 369 59.377 59.377 58.091 1.286 17490 9783 1 16 . 1 1 79 79 LEU CB C 369 42.354 42.354 41.832 0.522 17490 9784 1 16 . 1 1 79 79 LEU H H 369 8.197 8.197 7.701 0.496 17490 9785 1 16 . 1 1 80 80 MET N N 370 114.071 114.071 114.803 -0.732 17490 9786 1 16 . 1 1 80 80 MET HA H 370 4.277 4.277 4.179 0.098 17490 9787 1 16 . 1 1 80 80 MET C C 370 178.184 178.184 177.726 0.458 17490 9788 1 16 . 1 1 80 80 MET CA C 370 57.627 57.627 58.820 -1.193 17490 9789 1 16 . 1 1 80 80 MET CB C 370 32.543 32.543 33.158 -0.615 17490 9790 1 16 . 1 1 80 80 MET H H 370 7.018 7.018 7.660 -0.642 17490 9791 1 16 . 1 1 81 81 ILE N N 371 118.056 118.056 117.049 1.007 17490 9792 1 16 . 1 1 81 81 ILE HA H 371 3.885 3.885 3.951 -0.066 17490 9793 1 16 . 1 1 81 81 ILE C C 371 177.491 177.491 177.266 0.225 17490 9794 1 16 . 1 1 81 81 ILE CA C 371 63.571 63.571 63.351 0.220 17490 9795 1 16 . 1 1 81 81 ILE CB C 371 38.716 38.716 38.411 0.305 17490 9796 1 16 . 1 1 81 81 ILE H H 371 7.615 7.615 7.566 0.049 17490 9797 1 16 . 1 1 82 82 LEU N N 372 116.858 116.858 119.401 -2.543 17490 9798 1 16 . 1 1 82 82 LEU HA H 372 4.100 4.100 4.363 -0.263 17490 9799 1 16 . 1 1 82 82 LEU C C 372 178.360 178.360 175.959 2.401 17490 9800 1 16 . 1 1 82 82 LEU CA C 372 55.929 55.929 55.285 0.644 17490 9801 1 16 . 1 1 82 82 LEU CB C 372 42.309 42.309 43.617 -1.308 17490 9802 1 16 . 1 1 82 82 LEU H H 372 8.160 8.160 8.104 0.056 17490 9803 1 16 . 1 1 83 83 ASN N N 373 117.015 117.015 116.687 0.328 17490 9804 1 16 . 1 1 83 83 ASN HA H 373 4.348 4.348 4.628 -0.280 17490 9805 1 16 . 1 1 83 83 ASN C C 373 175.671 175.671 175.095 0.576 17490 9806 1 16 . 1 1 83 83 ASN CA C 373 55.793 55.793 54.630 1.163 17490 9807 1 16 . 1 1 83 83 ASN CB C 373 38.434 38.434 38.584 -0.150 17490 9808 1 16 . 1 1 83 83 ASN H H 373 7.058 7.058 7.793 -0.735 17490 9809 1 16 . 1 1 84 84 GLY N N 374 116.878 116.878 112.476 4.402 17490 9810 1 16 . 1 1 84 84 GLY C C 374 174.602 174.602 173.924 0.678 17490 9811 1 16 . 1 1 84 84 GLY CA C 374 45.842 45.842 45.062 0.780 17490 9812 1 16 . 1 1 84 84 GLY H H 374 9.053 9.053 8.205 0.848 17490 9813 1 16 . 1 1 85 85 SER N N 375 116.615 116.615 116.181 0.434 17490 9814 1 16 . 1 1 85 85 SER HA H 375 4.407 4.407 4.839 -0.432 17490 9815 1 16 . 1 1 85 85 SER C C 375 171.580 171.580 173.374 -1.794 17490 9816 1 16 . 1 1 85 85 SER CA C 375 59.280 59.280 56.787 2.493 17490 9817 1 16 . 1 1 85 85 SER CB C 375 64.303 64.303 65.100 -0.797 17490 9818 1 16 . 1 1 85 85 SER H H 375 7.666 7.666 8.217 -0.551 17490 9819 1 16 . 1 1 86 86 GLN N N 376 117.824 117.824 119.340 -1.516 17490 9820 1 16 . 1 1 86 86 GLN HA H 376 4.893 4.893 5.526 -0.633 17490 9821 1 16 . 1 1 86 86 GLN C C 376 175.033 175.033 174.898 0.135 17490 9822 1 16 . 1 1 86 86 GLN CA C 376 54.885 54.885 55.015 -0.130 17490 9823 1 16 . 1 1 86 86 GLN CB C 376 30.733 30.733 31.889 -1.156 17490 9824 1 16 . 1 1 86 86 GLN H H 376 8.381 8.381 8.429 -0.048 17490 9825 1 16 . 1 1 87 87 PHE N N 377 124.095 124.095 123.730 0.365 17490 9826 1 16 . 1 1 87 87 PHE HA H 377 4.472 4.472 4.744 -0.272 17490 9827 1 16 . 1 1 87 87 PHE C C 377 174.760 174.760 174.467 0.293 17490 9828 1 16 . 1 1 87 87 PHE CA C 377 56.009 56.009 57.907 -1.898 17490 9829 1 16 . 1 1 87 87 PHE CB C 377 41.519 41.519 41.854 -0.335 17490 9830 1 16 . 1 1 87 87 PHE H H 377 8.974 8.974 9.039 -0.065 17490 9831 1 16 . 1 1 88 88 GLN N N 378 126.108 126.108 121.294 4.814 17490 9832 1 16 . 1 1 88 88 GLN HA H 378 3.505 3.505 3.717 -0.212 17490 9833 1 16 . 1 1 88 88 GLN C C 378 176.162 176.162 175.720 0.442 17490 9834 1 16 . 1 1 88 88 GLN CA C 378 56.570 56.570 55.900 0.670 17490 9835 1 16 . 1 1 88 88 GLN CB C 378 26.070 26.070 27.689 -1.619 17490 9836 1 16 . 1 1 88 88 GLN H H 378 9.139 9.139 8.518 0.621 17490 9837 1 16 . 1 1 89 89 GLY N N 379 103.132 103.132 103.370 -0.238 17490 9838 1 16 . 1 1 89 89 GLY C C 379 173.587 173.587 173.289 0.298 17490 9839 1 16 . 1 1 89 89 GLY CA C 379 45.382 45.382 45.085 0.297 17490 9840 1 16 . 1 1 89 89 GLY H H 379 8.580 8.580 8.319 0.261 17490 9841 1 16 . 1 1 90 90 LYS N N 380 119.783 119.783 117.729 2.054 17490 9842 1 16 . 1 1 90 90 LYS HA H 380 4.697 4.697 4.501 0.196 17490 9843 1 16 . 1 1 90 90 LYS C C 380 174.500 174.500 174.369 0.131 17490 9844 1 16 . 1 1 90 90 LYS CA C 380 54.019 54.019 54.745 -0.725 17490 9845 1 16 . 1 1 90 90 LYS CB C 380 35.919 35.919 35.376 0.543 17490 9846 1 16 . 1 1 90 90 LYS H H 380 7.457 7.457 7.423 0.034 17490 9847 1 16 . 1 1 91 91 VAL N N 381 121.517 121.517 123.385 -1.868 17490 9848 1 16 . 1 1 91 91 VAL HA H 381 4.294 4.294 5.037 -0.743 17490 9849 1 16 . 1 1 91 91 VAL C C 381 176.729 176.729 175.862 0.867 17490 9850 1 16 . 1 1 91 91 VAL CA C 381 63.176 63.176 61.236 1.940 17490 9851 1 16 . 1 1 91 91 VAL CB C 381 32.073 32.073 31.875 0.198 17490 9852 1 16 . 1 1 91 91 VAL H H 381 8.256 8.256 8.581 -0.325 17490 9853 1 16 . 1 1 92 92 ILE N N 382 124.746 124.746 124.905 -0.159 17490 9854 1 16 . 1 1 92 92 ILE HA H 382 4.533 4.533 4.637 -0.104 17490 9855 1 16 . 1 1 92 92 ILE C C 382 173.501 173.501 174.152 -0.651 17490 9856 1 16 . 1 1 92 92 ILE CA C 382 59.249 59.249 59.282 -0.033 17490 9857 1 16 . 1 1 92 92 ILE CB C 382 41.995 41.995 38.787 3.208 17490 9858 1 16 . 1 1 92 92 ILE H H 382 8.788 8.788 8.347 0.441 17490 9859 1 16 . 1 1 93 93 ARG N N 383 119.723 119.723 124.347 -4.624 17490 9860 1 16 . 1 1 93 93 ARG HA H 383 4.608 4.608 4.914 -0.306 17490 9861 1 16 . 1 1 93 93 ARG C C 383 173.979 173.979 174.499 -0.520 17490 9862 1 16 . 1 1 93 93 ARG CA C 383 53.178 53.178 54.299 -1.121 17490 9863 1 16 . 1 1 93 93 ARG CB C 383 31.724 31.724 33.069 -1.345 17490 9864 1 16 . 1 1 93 93 ARG H H 383 8.500 8.500 8.369 0.131 17490 9865 1 16 . 1 1 94 94 SER N N 384 110.386 110.386 113.652 -3.266 17490 9866 1 16 . 1 1 94 94 SER HA H 384 5.685 5.685 4.970 0.715 17490 9867 1 16 . 1 1 94 94 SER C C 384 174.791 174.791 173.254 1.537 17490 9868 1 16 . 1 1 94 94 SER CA C 384 54.419 54.419 57.522 -3.103 17490 9869 1 16 . 1 1 94 94 SER CB C 384 67.147 67.147 66.980 0.167 17490 9870 1 16 . 1 1 94 94 SER H H 384 7.700 7.700 8.365 -0.665 17490 9871 1 16 . 1 1 95 95 GLY N N 385 106.738 106.738 106.827 -0.089 17490 9872 1 16 . 1 1 95 95 GLY C C 385 171.619 171.619 172.472 -0.853 17490 9873 1 16 . 1 1 95 95 GLY CA C 385 45.904 45.904 45.946 -0.042 17490 9874 1 16 . 1 1 95 95 GLY H H 385 8.360 8.360 8.619 -0.259 17490 9875 1 16 . 1 1 96 96 THR N N 386 111.493 111.493 113.377 -1.884 17490 9876 1 16 . 1 1 96 96 THR HA H 386 4.604 4.604 4.852 -0.248 17490 9877 1 16 . 1 1 96 96 THR C C 386 175.600 175.600 175.198 0.402 17490 9878 1 16 . 1 1 96 96 THR CA C 386 60.901 60.901 61.476 -0.575 17490 9879 1 16 . 1 1 96 96 THR CB C 386 71.709 71.709 70.539 1.170 17490 9880 1 16 . 1 1 96 96 THR H H 386 9.274 9.274 7.976 1.298 17490 9881 1 16 . 1 1 97 97 ILE N N 387 121.293 121.293 119.202 2.091 17490 9882 1 16 . 1 1 97 97 ILE HA H 387 3.881 3.881 3.898 -0.017 17490 9883 1 16 . 1 1 97 97 ILE C C 387 178.109 178.109 177.800 0.309 17490 9884 1 16 . 1 1 97 97 ILE CA C 387 65.826 65.826 63.685 2.141 17490 9885 1 16 . 1 1 97 97 ILE CB C 387 37.717 37.717 36.537 1.180 17490 9886 1 16 . 1 1 97 97 ILE H H 387 9.339 9.339 8.173 1.166 17490 9887 1 16 . 1 1 98 98 ASN N N 388 117.358 117.358 119.010 -1.652 17490 9888 1 16 . 1 1 98 98 ASN HA H 388 4.224 4.224 4.281 -0.057 17490 9889 1 16 . 1 1 98 98 ASN C C 388 178.040 178.040 176.759 1.281 17490 9890 1 16 . 1 1 98 98 ASN CA C 388 56.205 56.205 56.598 -0.393 17490 9891 1 16 . 1 1 98 98 ASN CB C 388 37.719 37.719 38.223 -0.504 17490 9892 1 16 . 1 1 98 98 ASN H H 388 8.162 8.162 8.285 -0.123 17490 9893 1 16 . 1 1 99 99 ASP N N 389 121.336 121.336 119.308 2.028 17490 9894 1 16 . 1 1 99 99 ASP HA H 389 4.236 4.236 4.046 0.190 17490 9895 1 16 . 1 1 99 99 ASP C C 389 177.813 177.813 177.519 0.294 17490 9896 1 16 . 1 1 99 99 ASP CA C 389 57.639 57.639 56.592 1.047 17490 9897 1 16 . 1 1 99 99 ASP CB C 389 40.497 40.497 40.356 0.141 17490 9898 1 16 . 1 1 99 99 ASP H H 389 7.865 7.865 8.516 -0.651 17490 9899 1 16 . 1 1 100 100 MET N N 390 122.932 122.932 115.909 7.023 17490 9900 1 16 . 1 1 100 100 MET HA H 390 4.499 4.499 4.016 0.483 17490 9901 1 16 . 1 1 100 100 MET C C 390 178.081 178.081 177.678 0.403 17490 9902 1 16 . 1 1 100 100 MET CA C 390 58.402 58.402 58.455 -0.053 17490 9903 1 16 . 1 1 100 100 MET CB C 390 32.263 32.263 32.673 -0.410 17490 9904 1 16 . 1 1 100 100 MET H H 390 7.874 7.874 7.019 0.855 17490 9905 1 16 . 1 1 101 101 LYS N N 391 118.764 118.764 120.482 -1.718 17490 9906 1 16 . 1 1 101 101 LYS HA H 391 3.484 3.484 4.059 -0.575 17490 9907 1 16 . 1 1 101 101 LYS C C 391 178.102 178.102 179.440 -1.338 17490 9908 1 16 . 1 1 101 101 LYS CA C 391 60.070 60.070 58.791 1.278 17490 9909 1 16 . 1 1 101 101 LYS CB C 391 32.468 32.468 31.410 1.058 17490 9910 1 16 . 1 1 101 101 LYS H H 391 7.994 7.994 8.262 -0.268 17490 9911 1 16 . 1 1 102 102 ARG N N 392 118.974 118.974 119.961 -0.987 17490 9912 1 16 . 1 1 102 102 ARG HA H 392 3.971 3.971 4.043 -0.072 17490 9913 1 16 . 1 1 102 102 ARG C C 392 178.433 178.433 178.980 -0.547 17490 9914 1 16 . 1 1 102 102 ARG CA C 392 59.485 59.485 59.136 0.349 17490 9915 1 16 . 1 1 102 102 ARG CB C 392 30.282 30.282 29.878 0.404 17490 9916 1 16 . 1 1 102 102 ARG H H 392 8.088 8.088 7.739 0.349 17490 9917 1 16 . 1 1 103 103 TYR N N 393 119.904 119.904 119.207 0.697 17490 9918 1 16 . 1 1 103 103 TYR HA H 393 4.017 4.017 4.004 0.013 17490 9919 1 16 . 1 1 103 103 TYR C C 393 177.819 177.819 178.130 -0.311 17490 9920 1 16 . 1 1 103 103 TYR CA C 393 61.926 61.926 58.867 3.059 17490 9921 1 16 . 1 1 103 103 TYR CB C 393 39.373 39.373 36.644 2.729 17490 9922 1 16 . 1 1 103 103 TYR H H 393 8.058 8.058 7.558 0.500 17490 9923 1 16 . 1 1 104 104 TYR N N 394 119.418 119.418 120.768 -1.350 17490 9924 1 16 . 1 1 104 104 TYR HA H 394 4.167 4.167 4.273 -0.106 17490 9925 1 16 . 1 1 104 104 TYR C C 394 177.920 177.920 177.516 0.404 17490 9926 1 16 . 1 1 104 104 TYR CA C 394 61.764 61.764 60.247 1.517 17490 9927 1 16 . 1 1 104 104 TYR CB C 394 39.162 39.162 38.300 0.862 17490 9928 1 16 . 1 1 104 104 TYR H H 394 7.846 7.846 8.711 -0.865 17490 9929 1 16 . 1 1 105 105 ASN N N 395 117.373 117.373 117.856 -0.483 17490 9930 1 16 . 1 1 105 105 ASN HA H 395 4.414 4.414 3.939 0.475 17490 9931 1 16 . 1 1 105 105 ASN C C 395 176.906 176.906 177.331 -0.425 17490 9932 1 16 . 1 1 105 105 ASN CA C 395 55.691 55.691 56.732 -1.041 17490 9933 1 16 . 1 1 105 105 ASN CB C 395 38.472 38.472 38.124 0.348 17490 9934 1 16 . 1 1 105 105 ASN H H 395 8.499 8.499 8.102 0.397 17490 9935 1 16 . 1 1 106 106 ASN N N 396 118.101 118.101 118.211 -0.110 17490 9936 1 16 . 1 1 106 106 ASN HA H 396 4.531 4.531 4.469 0.062 17490 9937 1 16 . 1 1 106 106 ASN C C 396 176.450 176.450 177.295 -0.845 17490 9938 1 16 . 1 1 106 106 ASN CA C 396 54.775 54.775 55.178 -0.403 17490 9939 1 16 . 1 1 106 106 ASN CB C 396 38.543 38.543 38.535 0.008 17490 9940 1 16 . 1 1 106 106 ASN H H 396 8.081 8.081 8.079 0.002 17490 9941 1 16 . 1 1 107 107 GLN N N 397 118.903 118.903 119.014 -0.111 17490 9942 1 16 . 1 1 107 107 GLN HA H 397 3.977 3.977 4.220 -0.243 17490 9943 1 16 . 1 1 107 107 GLN C C 397 176.907 176.907 177.912 -1.005 17490 9944 1 16 . 1 1 107 107 GLN CA C 397 56.815 56.815 58.074 -1.259 17490 9945 1 16 . 1 1 107 107 GLN CB C 397 28.610 28.610 28.605 0.005 17490 9946 1 16 . 1 1 107 107 GLN H H 397 7.772 7.772 7.816 -0.044 17490 9947 1 16 . 1 1 108 108 GLN N N 398 118.101 118.101 117.593 0.508 17490 9948 1 16 . 1 1 108 108 GLN HA H 398 3.920 3.920 4.087 -0.167 17490 9949 1 16 . 1 1 108 108 GLN C C 398 176.321 176.321 176.574 -0.253 17490 9950 1 16 . 1 1 108 108 GLN CA C 398 56.554 56.554 57.238 -0.684 17490 9951 1 16 . 1 1 108 108 GLN CB C 398 28.650 28.650 28.956 -0.306 17490 9952 1 16 . 1 1 108 108 GLN H H 398 7.854 7.854 8.127 -0.273 17490 9953 1 17 . 1 1 3 3 LEU N N 293 125.082 125.082 122.330 2.752 17490 9954 1 17 . 1 1 3 3 LEU HA H 293 4.292 4.292 4.477 -0.185 17490 9955 1 17 . 1 1 3 3 LEU C C 293 177.442 177.442 179.018 -1.576 17490 9956 1 17 . 1 1 3 3 LEU CA C 293 55.523 55.523 56.018 -0.495 17490 9957 1 17 . 1 1 3 3 LEU CB C 293 42.516 42.516 42.235 0.281 17490 9958 1 17 . 1 1 3 3 LEU H H 293 8.321 8.321 8.531 -0.210 17490 9959 1 17 . 1 1 4 4 GLU N N 294 122.906 122.906 120.082 2.824 17490 9960 1 17 . 1 1 4 4 GLU HA H 294 4.069 4.069 3.966 0.103 17490 9961 1 17 . 1 1 4 4 GLU C C 294 177.158 177.158 178.703 -1.545 17490 9962 1 17 . 1 1 4 4 GLU CA C 294 58.307 58.307 59.219 -0.912 17490 9963 1 17 . 1 1 4 4 GLU CB C 294 29.676 29.676 28.818 0.858 17490 9964 1 17 . 1 1 4 4 GLU H H 294 8.521 8.521 8.755 -0.234 17490 9965 1 17 . 1 1 5 5 ARG N N 295 120.270 120.270 118.686 1.584 17490 9966 1 17 . 1 1 5 5 ARG HA H 295 4.131 4.131 4.029 0.102 17490 9967 1 17 . 1 1 5 5 ARG C C 295 177.768 177.768 178.820 -1.052 17490 9968 1 17 . 1 1 5 5 ARG CA C 295 58.082 58.082 59.479 -1.397 17490 9969 1 17 . 1 1 5 5 ARG CB C 295 30.192 30.192 29.919 0.272 17490 9970 1 17 . 1 1 5 5 ARG H H 295 8.327 8.327 8.614 -0.287 17490 9971 1 17 . 1 1 6 6 ASN N N 296 118.639 118.639 117.527 1.112 17490 9972 1 17 . 1 1 6 6 ASN HA H 296 4.554 4.554 4.541 0.013 17490 9973 1 17 . 1 1 6 6 ASN C C 296 176.830 176.830 177.081 -0.251 17490 9974 1 17 . 1 1 6 6 ASN CA C 296 54.901 54.901 56.478 -1.577 17490 9975 1 17 . 1 1 6 6 ASN CB C 296 38.115 38.115 38.530 -0.415 17490 9976 1 17 . 1 1 6 6 ASN H H 296 8.257 8.257 8.297 -0.040 17490 9977 1 17 . 1 1 7 7 GLU N N 297 123.935 123.935 120.346 3.589 17490 9978 1 17 . 1 1 7 7 GLU HA H 297 4.266 4.266 4.168 0.098 17490 9979 1 17 . 1 1 7 7 GLU C C 297 178.102 178.102 178.874 -0.772 17490 9980 1 17 . 1 1 7 7 GLU CA C 297 58.897 58.897 59.084 -0.187 17490 9981 1 17 . 1 1 7 7 GLU CB C 297 29.814 29.814 29.649 0.165 17490 9982 1 17 . 1 1 7 7 GLU H H 297 8.185 8.185 7.677 0.508 17490 9983 1 17 . 1 1 8 8 VAL N N 298 118.916 118.916 120.130 -1.214 17490 9984 1 17 . 1 1 8 8 VAL HA H 298 3.399 3.399 3.599 -0.200 17490 9985 1 17 . 1 1 8 8 VAL C C 298 177.131 177.131 177.712 -0.581 17490 9986 1 17 . 1 1 8 8 VAL CA C 298 67.619 67.619 67.101 0.518 17490 9987 1 17 . 1 1 8 8 VAL CB C 298 32.041 32.041 31.613 0.428 17490 9988 1 17 . 1 1 8 8 VAL H H 298 8.095 8.095 8.656 -0.561 17490 9989 1 17 . 1 1 9 9 LYS N N 299 117.791 117.791 120.252 -2.461 17490 9990 1 17 . 1 1 9 9 LYS HA H 299 3.804 3.804 4.066 -0.262 17490 9991 1 17 . 1 1 9 9 LYS C C 299 179.259 179.259 178.498 0.761 17490 9992 1 17 . 1 1 9 9 LYS CA C 299 59.806 59.806 59.493 0.313 17490 9993 1 17 . 1 1 9 9 LYS CB C 299 32.290 32.290 32.193 0.097 17490 9994 1 17 . 1 1 9 9 LYS H H 299 7.771 7.771 7.725 0.046 17490 9995 1 17 . 1 1 10 10 ARG N N 300 119.032 119.032 119.657 -0.625 17490 9996 1 17 . 1 1 10 10 ARG HA H 300 3.934 3.934 4.120 -0.186 17490 9997 1 17 . 1 1 10 10 ARG C C 300 179.680 179.680 179.125 0.555 17490 9998 1 17 . 1 1 10 10 ARG CA C 300 59.444 59.444 58.665 0.779 17490 9999 1 17 . 1 1 10 10 ARG CB C 300 30.190 30.190 29.874 0.316 17490 10000 1 17 . 1 1 10 10 ARG H H 300 7.834 7.834 8.149 -0.315 17490 10001 1 17 . 1 1 11 11 LEU N N 301 120.881 120.881 117.810 3.071 17490 10002 1 17 . 1 1 11 11 LEU HA H 301 3.890 3.890 4.200 -0.310 17490 10003 1 17 . 1 1 11 11 LEU C C 301 178.937 178.937 178.006 0.931 17490 10004 1 17 . 1 1 11 11 LEU CA C 301 58.067 58.067 56.318 1.749 17490 10005 1 17 . 1 1 11 11 LEU CB C 301 42.051 42.051 42.144 -0.093 17490 10006 1 17 . 1 1 11 11 LEU H H 301 8.147 8.147 7.975 0.172 17490 10007 1 17 . 1 1 12 12 LEU N N 302 116.294 116.294 118.829 -2.535 17490 10008 1 17 . 1 1 12 12 LEU HA H 302 3.874 3.874 4.123 -0.249 17490 10009 1 17 . 1 1 12 12 LEU C C 302 177.360 177.360 178.049 -0.689 17490 10010 1 17 . 1 1 12 12 LEU CA C 302 57.498 57.498 57.238 0.260 17490 10011 1 17 . 1 1 12 12 LEU CB C 302 41.506 41.506 42.415 -0.909 17490 10012 1 17 . 1 1 12 12 LEU H H 302 8.331 8.331 7.704 0.627 17490 10013 1 17 . 1 1 13 13 ALA N N 303 117.998 117.998 117.989 0.009 17490 10014 1 17 . 1 1 13 13 ALA HA H 303 4.480 4.480 4.320 0.160 17490 10015 1 17 . 1 1 13 13 ALA C C 303 177.554 177.554 177.760 -0.206 17490 10016 1 17 . 1 1 13 13 ALA CA C 303 51.290 51.290 52.090 -0.800 17490 10017 1 17 . 1 1 13 13 ALA CB C 303 19.810 19.810 19.618 0.192 17490 10018 1 17 . 1 1 13 13 ALA H H 303 7.109 7.109 7.642 -0.533 17490 10019 1 17 . 1 1 14 14 SER N N 304 114.833 114.833 114.466 0.367 17490 10020 1 17 . 1 1 14 14 SER HA H 304 4.175 4.175 4.253 -0.078 17490 10021 1 17 . 1 1 14 14 SER C C 304 175.762 175.762 175.236 0.526 17490 10022 1 17 . 1 1 14 14 SER CA C 304 59.344 59.344 58.492 0.852 17490 10023 1 17 . 1 1 14 14 SER CB C 304 63.704 63.704 63.794 -0.090 17490 10024 1 17 . 1 1 14 14 SER H H 304 7.265 7.265 7.685 -0.420 17490 10025 1 17 . 1 1 15 15 ARG N N 305 125.370 125.370 122.976 2.394 17490 10026 1 17 . 1 1 15 15 ARG HA H 305 4.555 4.555 4.334 0.221 17490 10027 1 17 . 1 1 15 15 ARG C C 305 175.442 175.442 176.166 -0.724 17490 10028 1 17 . 1 1 15 15 ARG CA C 305 54.847 54.847 56.084 -1.236 17490 10029 1 17 . 1 1 15 15 ARG CB C 305 30.415 30.415 29.896 0.519 17490 10030 1 17 . 1 1 15 15 ARG H H 305 8.872 8.872 8.566 0.306 17490 10031 1 17 . 1 1 16 16 ASN N N 306 120.536 120.536 123.076 -2.540 17490 10032 1 17 . 1 1 16 16 ASN HA H 306 4.774 4.774 4.803 -0.029 17490 10033 1 17 . 1 1 16 16 ASN C C 306 175.146 175.146 175.671 -0.525 17490 10034 1 17 . 1 1 16 16 ASN CA C 306 52.434 52.434 52.805 -0.371 17490 10035 1 17 . 1 1 16 16 ASN CB C 306 38.294 38.294 37.161 1.133 17490 10036 1 17 . 1 1 16 16 ASN H H 306 8.367 8.367 7.812 0.555 17490 10037 1 17 . 1 1 17 17 SER N N 307 121.694 121.694 117.750 3.944 17490 10038 1 17 . 1 1 17 17 SER HA H 307 4.090 4.090 4.266 -0.176 17490 10039 1 17 . 1 1 17 17 SER C C 307 175.970 175.970 174.772 1.198 17490 10040 1 17 . 1 1 17 17 SER CA C 307 61.484 61.484 60.160 1.324 17490 10041 1 17 . 1 1 17 17 SER CB C 307 62.850 62.850 63.197 -0.347 17490 10042 1 17 . 1 1 17 17 SER H H 307 8.656 8.656 7.977 0.679 17490 10043 1 17 . 1 1 18 18 LYS N N 308 120.961 120.961 119.012 1.949 17490 10044 1 17 . 1 1 18 18 LYS HA H 308 4.115 4.115 4.245 -0.130 17490 10045 1 17 . 1 1 18 18 LYS C C 308 178.999 178.999 177.727 1.272 17490 10046 1 17 . 1 1 18 18 LYS CA C 308 58.606 58.606 57.936 0.670 17490 10047 1 17 . 1 1 18 18 LYS CB C 308 31.614 31.614 32.626 -1.012 17490 10048 1 17 . 1 1 18 18 LYS H H 308 8.060 8.060 8.273 -0.213 17490 10049 1 17 . 1 1 19 19 GLU N N 309 118.377 118.377 118.825 -0.448 17490 10050 1 17 . 1 1 19 19 GLU HA H 309 4.198 4.198 4.275 -0.077 17490 10051 1 17 . 1 1 19 19 GLU C C 309 178.136 178.136 177.984 0.152 17490 10052 1 17 . 1 1 19 19 GLU CA C 309 57.939 57.939 58.483 -0.544 17490 10053 1 17 . 1 1 19 19 GLU CB C 309 30.115 30.115 29.709 0.406 17490 10054 1 17 . 1 1 19 19 GLU H H 309 7.520 7.520 7.786 -0.266 17490 10055 1 17 . 1 1 20 20 LEU N N 310 118.101 118.101 119.132 -1.031 17490 10056 1 17 . 1 1 20 20 LEU HA H 310 4.168 4.168 4.214 -0.046 17490 10057 1 17 . 1 1 20 20 LEU C C 310 179.112 179.112 177.581 1.531 17490 10058 1 17 . 1 1 20 20 LEU CA C 310 56.583 56.583 55.989 0.594 17490 10059 1 17 . 1 1 20 20 LEU CB C 310 41.611 41.611 41.721 -0.110 17490 10060 1 17 . 1 1 20 20 LEU H H 310 7.741 7.741 7.489 0.252 17490 10061 1 17 . 1 1 21 21 GLU N N 311 116.130 116.130 118.750 -2.620 17490 10062 1 17 . 1 1 21 21 GLU HA H 311 4.342 4.342 4.218 0.124 17490 10063 1 17 . 1 1 21 21 GLU C C 311 176.928 176.928 177.838 -0.910 17490 10064 1 17 . 1 1 21 21 GLU CA C 311 58.216 58.216 58.061 0.155 17490 10065 1 17 . 1 1 21 21 GLU CB C 311 29.608 29.608 30.335 -0.727 17490 10066 1 17 . 1 1 21 21 GLU H H 311 7.747 7.747 8.056 -0.309 17490 10067 1 17 . 1 1 22 22 THR N N 312 106.131 106.131 117.730 -11.599 17490 10068 1 17 . 1 1 22 22 THR HA H 312 4.182 4.182 4.432 -0.250 17490 10069 1 17 . 1 1 22 22 THR C C 312 172.032 172.032 172.938 -0.906 17490 10070 1 17 . 1 1 22 22 THR CA C 312 61.539 61.539 64.187 -2.648 17490 10071 1 17 . 1 1 22 22 THR CB C 312 69.426 69.426 67.691 1.735 17490 10072 1 17 . 1 1 22 22 THR H H 312 7.446 7.446 7.962 -0.516 17490 10073 1 17 . 1 1 23 23 LEU N N 313 120.178 120.178 116.392 3.786 17490 10074 1 17 . 1 1 23 23 LEU HA H 313 5.869 5.869 5.347 0.522 17490 10075 1 17 . 1 1 23 23 LEU C C 313 175.604 175.604 174.005 1.599 17490 10076 1 17 . 1 1 23 23 LEU CA C 313 52.838 52.838 54.225 -1.387 17490 10077 1 17 . 1 1 23 23 LEU CB C 313 46.851 46.851 45.852 1.000 17490 10078 1 17 . 1 1 23 23 LEU H H 313 7.538 7.538 7.253 0.285 17490 10079 1 17 . 1 1 24 24 ILE N N 314 113.990 113.990 112.952 1.038 17490 10080 1 17 . 1 1 24 24 ILE HA H 314 4.717 4.717 4.750 -0.033 17490 10081 1 17 . 1 1 24 24 ILE C C 314 173.530 173.530 173.374 0.156 17490 10082 1 17 . 1 1 24 24 ILE CA C 314 59.368 59.368 59.761 -0.393 17490 10083 1 17 . 1 1 24 24 ILE CB C 314 42.319 42.319 41.950 0.369 17490 10084 1 17 . 1 1 24 24 ILE H H 314 8.904 8.904 8.660 0.244 17490 10085 1 17 . 1 1 25 25 CYS N N 315 117.755 117.755 117.252 0.503 17490 10086 1 17 . 1 1 25 25 CYS HA H 315 5.914 5.914 5.556 0.358 17490 10087 1 17 . 1 1 25 25 CYS C C 315 174.153 174.153 173.409 0.744 17490 10088 1 17 . 1 1 25 25 CYS CA C 315 57.187 57.187 55.623 1.563 17490 10089 1 17 . 1 1 25 25 CYS CB C 315 31.754 31.754 30.526 1.228 17490 10090 1 17 . 1 1 25 25 CYS H H 315 9.021 9.021 9.112 -0.091 17490 10091 1 17 . 1 1 26 26 LEU N N 316 119.952 119.952 123.875 -3.923 17490 10092 1 17 . 1 1 26 26 LEU HA H 316 5.363 5.363 4.640 0.723 17490 10093 1 17 . 1 1 26 26 LEU C C 316 176.015 176.015 175.187 0.828 17490 10094 1 17 . 1 1 26 26 LEU CA C 316 53.072 53.072 54.843 -1.771 17490 10095 1 17 . 1 1 26 26 LEU CB C 316 45.891 45.891 43.825 2.066 17490 10096 1 17 . 1 1 26 26 LEU H H 316 8.778 8.778 8.895 -0.117 17490 10097 1 17 . 1 1 27 27 PHE N N 317 116.116 116.116 124.764 -8.648 17490 10098 1 17 . 1 1 27 27 PHE HA H 317 4.158 4.158 5.253 -1.095 17490 10099 1 17 . 1 1 27 27 PHE CA C 317 55.594 55.594 54.376 1.218 17490 10100 1 17 . 1 1 27 27 PHE CB C 317 37.765 37.765 40.959 -3.194 17490 10101 1 17 . 1 1 27 27 PHE H H 317 7.827 7.827 9.142 -1.315 17490 10102 1 17 . 1 1 28 28 PRO HA H 318 5.322 5.322 4.708 0.614 17490 10103 1 17 . 1 1 28 28 PRO C C 318 175.163 175.163 174.857 0.306 17490 10104 1 17 . 1 1 28 28 PRO CA C 318 61.657 61.657 62.309 -0.652 17490 10105 1 17 . 1 1 28 28 PRO CB C 318 34.356 34.356 31.500 2.856 17490 10106 1 17 . 1 1 29 29 LEU N N 319 120.206 120.206 119.823 0.383 17490 10107 1 17 . 1 1 29 29 LEU HA H 319 4.674 4.674 4.704 -0.030 17490 10108 1 17 . 1 1 29 29 LEU C C 319 176.806 176.806 176.181 0.625 17490 10109 1 17 . 1 1 29 29 LEU CA C 319 52.817 52.817 52.880 -0.063 17490 10110 1 17 . 1 1 29 29 LEU CB C 319 45.029 45.029 40.904 4.125 17490 10111 1 17 . 1 1 29 29 LEU H H 319 8.365 8.365 8.006 0.359 17490 10112 1 17 . 1 1 30 30 SER N N 320 117.220 117.220 118.758 -1.538 17490 10113 1 17 . 1 1 30 30 SER HA H 320 4.475 4.475 4.316 0.159 17490 10114 1 17 . 1 1 30 30 SER C C 320 174.677 174.677 175.013 -0.336 17490 10115 1 17 . 1 1 30 30 SER CA C 320 57.768 57.768 58.708 -0.940 17490 10116 1 17 . 1 1 30 30 SER CB C 320 64.118 64.118 63.864 0.254 17490 10117 1 17 . 1 1 30 30 SER H H 320 8.652 8.652 8.444 0.208 17490 10118 1 17 . 1 1 31 31 ASP N N 321 121.514 121.514 119.441 2.073 17490 10119 1 17 . 1 1 31 31 ASP HA H 321 4.471 4.471 4.603 -0.132 17490 10120 1 17 . 1 1 31 31 ASP C C 321 176.811 176.811 176.370 0.441 17490 10121 1 17 . 1 1 31 31 ASP CA C 321 55.388 55.388 55.596 -0.208 17490 10122 1 17 . 1 1 31 31 ASP CB C 321 40.060 40.060 40.972 -0.912 17490 10123 1 17 . 1 1 31 31 ASP H H 321 8.587 8.587 8.783 -0.196 17490 10124 1 17 . 1 1 32 32 LYS N N 322 117.990 117.990 119.434 -1.444 17490 10125 1 17 . 1 1 32 32 LYS HA H 322 4.331 4.331 4.510 -0.179 17490 10126 1 17 . 1 1 32 32 LYS C C 322 176.804 176.804 176.170 0.634 17490 10127 1 17 . 1 1 32 32 LYS CA C 322 55.545 55.545 55.619 -0.074 17490 10128 1 17 . 1 1 32 32 LYS CB C 322 31.942 31.942 32.723 -0.781 17490 10129 1 17 . 1 1 32 32 LYS H H 322 8.053 8.053 8.143 -0.090 17490 10130 1 17 . 1 1 33 33 VAL N N 323 119.570 119.570 116.866 2.704 17490 10131 1 17 . 1 1 33 33 VAL HA H 323 3.922 3.922 4.274 -0.352 17490 10132 1 17 . 1 1 33 33 VAL C C 323 173.362 173.362 175.170 -1.808 17490 10133 1 17 . 1 1 33 33 VAL CA C 323 63.294 63.294 61.128 2.166 17490 10134 1 17 . 1 1 33 33 VAL CB C 323 32.410 32.410 32.968 -0.558 17490 10135 1 17 . 1 1 33 33 VAL H H 323 7.333 7.333 7.594 -0.261 17490 10136 1 17 . 1 1 34 34 SER N N 324 118.908 118.908 114.395 4.513 17490 10137 1 17 . 1 1 34 34 SER HA H 324 5.104 5.104 4.846 0.258 17490 10138 1 17 . 1 1 34 34 SER CA C 324 55.114 55.114 56.233 -1.119 17490 10139 1 17 . 1 1 34 34 SER CB C 324 64.522 64.522 64.132 0.390 17490 10140 1 17 . 1 1 34 34 SER H H 324 7.099 7.099 7.767 -0.668 17490 10141 1 17 . 1 1 35 35 PRO HA H 325 4.038 4.038 4.128 -0.090 17490 10142 1 17 . 1 1 35 35 PRO C C 325 178.107 178.107 178.531 -0.424 17490 10143 1 17 . 1 1 35 35 PRO CA C 325 66.275 66.275 65.587 0.688 17490 10144 1 17 . 1 1 35 35 PRO CB C 325 31.873 31.873 31.930 -0.057 17490 10145 1 17 . 1 1 36 36 SER N N 326 111.480 111.480 114.158 -2.678 17490 10146 1 17 . 1 1 36 36 SER HA H 326 4.179 4.179 4.186 -0.007 17490 10147 1 17 . 1 1 36 36 SER C C 326 176.897 176.897 176.692 0.205 17490 10148 1 17 . 1 1 36 36 SER CA C 326 61.731 61.731 60.917 0.814 17490 10149 1 17 . 1 1 36 36 SER CB C 326 62.211 62.211 62.472 -0.261 17490 10150 1 17 . 1 1 36 36 SER H H 326 8.172 8.172 8.288 -0.116 17490 10151 1 17 . 1 1 37 37 LEU N N 327 123.898 123.898 120.981 2.917 17490 10152 1 17 . 1 1 37 37 LEU HA H 327 4.311 4.311 4.058 0.253 17490 10153 1 17 . 1 1 37 37 LEU C C 327 180.292 180.292 178.914 1.378 17490 10154 1 17 . 1 1 37 37 LEU CA C 327 57.921 57.921 57.454 0.467 17490 10155 1 17 . 1 1 37 37 LEU CB C 327 42.694 42.694 41.407 1.287 17490 10156 1 17 . 1 1 37 37 LEU H H 327 7.751 7.751 8.265 -0.514 17490 10157 1 17 . 1 1 38 38 ILE N N 328 119.411 119.411 119.965 -0.554 17490 10158 1 17 . 1 1 38 38 ILE HA H 328 3.627 3.627 3.625 0.002 17490 10159 1 17 . 1 1 38 38 ILE C C 328 176.884 176.884 178.051 -1.167 17490 10160 1 17 . 1 1 38 38 ILE CA C 328 65.153 65.153 65.820 -0.667 17490 10161 1 17 . 1 1 38 38 ILE CB C 328 37.446 37.446 37.874 -0.428 17490 10162 1 17 . 1 1 38 38 ILE H H 328 7.636 7.636 7.481 0.155 17490 10163 1 17 . 1 1 39 39 CYS N N 329 120.430 120.430 117.842 2.588 17490 10164 1 17 . 1 1 39 39 CYS HA H 329 3.743 3.743 3.925 -0.182 17490 10165 1 17 . 1 1 39 39 CYS C C 329 176.205 176.205 177.240 -1.035 17490 10166 1 17 . 1 1 39 39 CYS CA C 329 63.564 63.564 63.539 0.025 17490 10167 1 17 . 1 1 39 39 CYS CB C 329 26.285 26.285 26.447 -0.162 17490 10168 1 17 . 1 1 39 39 CYS H H 329 8.640 8.640 7.570 1.070 17490 10169 1 17 . 1 1 40 40 GLN N N 330 118.263 118.263 119.239 -0.976 17490 10170 1 17 . 1 1 40 40 GLN HA H 330 4.099 4.099 4.036 0.063 17490 10171 1 17 . 1 1 40 40 GLN C C 330 177.445 177.445 178.754 -1.309 17490 10172 1 17 . 1 1 40 40 GLN CA C 330 59.496 59.496 58.562 0.934 17490 10173 1 17 . 1 1 40 40 GLN CB C 330 28.469 28.469 27.903 0.566 17490 10174 1 17 . 1 1 40 40 GLN H H 330 8.213 8.213 8.062 0.151 17490 10175 1 17 . 1 1 41 41 PHE N N 331 121.411 121.411 120.477 0.934 17490 10176 1 17 . 1 1 41 41 PHE HA H 331 4.661 4.661 4.213 0.448 17490 10177 1 17 . 1 1 41 41 PHE C C 331 177.475 177.475 177.491 -0.016 17490 10178 1 17 . 1 1 41 41 PHE CA C 331 60.181 60.181 60.884 -0.703 17490 10179 1 17 . 1 1 41 41 PHE CB C 331 39.561 39.561 38.934 0.627 17490 10180 1 17 . 1 1 41 41 PHE H H 331 7.806 7.806 8.326 -0.520 17490 10181 1 17 . 1 1 42 42 LEU N N 332 119.016 119.016 119.741 -0.725 17490 10182 1 17 . 1 1 42 42 LEU HA H 332 3.508 3.508 3.751 -0.243 17490 10183 1 17 . 1 1 42 42 LEU C C 332 178.495 178.495 179.002 -0.507 17490 10184 1 17 . 1 1 42 42 LEU CA C 332 57.545 57.545 57.318 0.227 17490 10185 1 17 . 1 1 42 42 LEU CB C 332 40.880 40.880 41.512 -0.632 17490 10186 1 17 . 1 1 42 42 LEU H H 332 8.436 8.436 8.283 0.153 17490 10187 1 17 . 1 1 43 43 GLN N N 333 116.210 116.210 117.016 -0.806 17490 10188 1 17 . 1 1 43 43 GLN HA H 333 4.590 4.590 4.141 0.449 17490 10189 1 17 . 1 1 43 43 GLN C C 333 178.499 178.499 178.776 -0.277 17490 10190 1 17 . 1 1 43 43 GLN CA C 333 58.875 58.875 58.681 0.194 17490 10191 1 17 . 1 1 43 43 GLN CB C 333 30.846 30.846 28.523 2.323 17490 10192 1 17 . 1 1 43 43 GLN H H 333 8.236 8.236 8.481 -0.245 17490 10193 1 17 . 1 1 44 44 GLU N N 334 117.050 117.050 120.047 -2.997 17490 10194 1 17 . 1 1 44 44 GLU HA H 334 4.116 4.116 4.200 -0.084 17490 10195 1 17 . 1 1 44 44 GLU C C 334 177.407 177.407 177.728 -0.321 17490 10196 1 17 . 1 1 44 44 GLU CA C 334 58.756 58.756 59.165 -0.409 17490 10197 1 17 . 1 1 44 44 GLU CB C 334 30.518 30.518 29.914 0.604 17490 10198 1 17 . 1 1 44 44 GLU H H 334 8.926 8.926 8.272 0.654 17490 10199 1 17 . 1 1 45 45 GLU N N 335 114.950 114.950 117.709 -2.759 17490 10200 1 17 . 1 1 45 45 GLU HA H 335 4.354 4.354 4.163 0.191 17490 10201 1 17 . 1 1 45 45 GLU C C 335 176.873 176.873 178.430 -1.557 17490 10202 1 17 . 1 1 45 45 GLU CA C 335 57.018 57.018 57.085 -0.067 17490 10203 1 17 . 1 1 45 45 GLU CB C 335 29.537 29.537 30.336 -0.799 17490 10204 1 17 . 1 1 45 45 GLU H H 335 8.054 8.054 7.949 0.105 17490 10205 1 17 . 1 1 46 46 ILE N N 336 115.649 115.649 116.465 -0.816 17490 10206 1 17 . 1 1 46 46 ILE HA H 336 3.895 3.895 4.064 -0.169 17490 10207 1 17 . 1 1 46 46 ILE C C 336 175.873 175.873 176.031 -0.158 17490 10208 1 17 . 1 1 46 46 ILE CA C 336 58.097 58.097 60.808 -2.711 17490 10209 1 17 . 1 1 46 46 ILE CB C 336 35.077 35.077 37.406 -2.329 17490 10210 1 17 . 1 1 46 46 ILE H H 336 6.749 6.749 7.456 -0.707 17490 10211 1 17 . 1 1 47 47 HIS N N 337 111.685 111.685 116.921 -5.236 17490 10212 1 17 . 1 1 47 47 HIS HA H 337 4.520 4.520 4.343 0.177 17490 10213 1 17 . 1 1 47 47 HIS C C 337 174.787 174.787 174.424 0.363 17490 10214 1 17 . 1 1 47 47 HIS CA C 337 56.387 56.387 57.244 -0.857 17490 10215 1 17 . 1 1 47 47 HIS CB C 337 24.947 24.947 27.790 -2.843 17490 10216 1 17 . 1 1 47 47 HIS H H 337 6.652 6.652 7.808 -1.156 17490 10217 1 17 . 1 1 48 48 ILE N N 338 118.069 118.069 116.714 1.355 17490 10218 1 17 . 1 1 48 48 ILE HA H 338 4.433 4.433 4.212 0.221 17490 10219 1 17 . 1 1 48 48 ILE C C 338 175.031 175.031 174.542 0.489 17490 10220 1 17 . 1 1 48 48 ILE CA C 338 60.737 60.737 59.781 0.956 17490 10221 1 17 . 1 1 48 48 ILE CB C 338 38.861 38.861 36.514 2.347 17490 10222 1 17 . 1 1 48 48 ILE H H 338 7.963 7.963 7.351 0.612 17490 10223 1 17 . 1 1 49 49 ASN N N 339 123.991 123.991 125.599 -1.608 17490 10224 1 17 . 1 1 49 49 ASN HA H 339 4.691 4.691 4.621 0.070 17490 10225 1 17 . 1 1 49 49 ASN C C 339 176.381 176.381 175.784 0.597 17490 10226 1 17 . 1 1 49 49 ASN CA C 339 53.296 53.296 51.927 1.369 17490 10227 1 17 . 1 1 49 49 ASN CB C 339 40.570 40.570 38.747 1.823 17490 10228 1 17 . 1 1 49 49 ASN H H 339 9.222 9.222 7.942 1.280 17490 10229 1 17 . 1 1 50 50 GLU N N 340 125.549 125.549 115.381 10.168 17490 10230 1 17 . 1 1 50 50 GLU HA H 340 3.792 3.792 4.021 -0.229 17490 10231 1 17 . 1 1 50 50 GLU C C 340 177.988 177.988 176.755 1.233 17490 10232 1 17 . 1 1 50 50 GLU CA C 340 59.807 59.807 58.725 1.082 17490 10233 1 17 . 1 1 50 50 GLU CB C 340 29.143 29.143 29.040 0.103 17490 10234 1 17 . 1 1 50 50 GLU H H 340 8.971 8.971 8.792 0.179 17490 10235 1 17 . 1 1 51 51 LYS N N 341 116.019 116.019 117.897 -1.878 17490 10236 1 17 . 1 1 51 51 LYS HA H 341 4.117 4.117 4.266 -0.149 17490 10237 1 17 . 1 1 51 51 LYS C C 341 177.283 177.283 177.498 -0.215 17490 10238 1 17 . 1 1 51 51 LYS CA C 341 57.718 57.718 57.687 0.031 17490 10239 1 17 . 1 1 51 51 LYS CB C 341 31.650 31.650 33.119 -1.469 17490 10240 1 17 . 1 1 51 51 LYS H H 341 8.424 8.424 7.710 0.714 17490 10241 1 17 . 1 1 52 52 ASP N N 342 117.576 117.576 119.408 -1.832 17490 10242 1 17 . 1 1 52 52 ASP HA H 342 4.444 4.444 4.586 -0.142 17490 10243 1 17 . 1 1 52 52 ASP C C 342 175.454 175.454 176.180 -0.726 17490 10244 1 17 . 1 1 52 52 ASP CA C 342 56.002 56.002 56.646 -0.644 17490 10245 1 17 . 1 1 52 52 ASP CB C 342 41.937 41.937 42.161 -0.224 17490 10246 1 17 . 1 1 52 52 ASP H H 342 7.908 7.908 8.865 -0.957 17490 10247 1 17 . 1 1 53 53 ILE N N 343 120.515 120.515 118.531 1.984 17490 10248 1 17 . 1 1 53 53 ILE HA H 343 3.875 3.875 4.292 -0.417 17490 10249 1 17 . 1 1 53 53 ILE C C 343 174.966 174.966 174.376 0.590 17490 10250 1 17 . 1 1 53 53 ILE CA C 343 61.101 61.101 59.683 1.418 17490 10251 1 17 . 1 1 53 53 ILE CB C 343 39.931 39.931 39.693 0.238 17490 10252 1 17 . 1 1 53 53 ILE H H 343 7.480 7.480 7.453 0.027 17490 10253 1 17 . 1 1 54 54 ARG N N 344 125.353 125.353 126.214 -0.861 17490 10254 1 17 . 1 1 54 54 ARG HA H 344 4.291 4.291 4.229 0.062 17490 10255 1 17 . 1 1 54 54 ARG C C 344 176.642 176.642 176.437 0.205 17490 10256 1 17 . 1 1 54 54 ARG CA C 344 57.550 57.550 57.771 -0.221 17490 10257 1 17 . 1 1 54 54 ARG CB C 344 30.848 30.848 31.567 -0.719 17490 10258 1 17 . 1 1 54 54 ARG H H 344 9.063 9.063 8.729 0.334 17490 10259 1 17 . 1 1 55 55 LYS N N 345 116.212 116.212 116.768 -0.556 17490 10260 1 17 . 1 1 55 55 LYS HA H 345 4.417 4.417 4.418 -0.001 17490 10261 1 17 . 1 1 55 55 LYS C C 345 173.004 173.004 173.895 -0.891 17490 10262 1 17 . 1 1 55 55 LYS CA C 345 55.873 55.873 55.869 0.004 17490 10263 1 17 . 1 1 55 55 LYS CB C 345 36.582 36.582 36.421 0.161 17490 10264 1 17 . 1 1 55 55 LYS H H 345 7.569 7.569 7.552 0.017 17490 10265 1 17 . 1 1 56 56 ILE N N 346 122.685 122.685 122.687 -0.002 17490 10266 1 17 . 1 1 56 56 ILE HA H 346 4.731 4.731 5.004 -0.273 17490 10267 1 17 . 1 1 56 56 ILE C C 346 174.163 174.163 173.771 0.392 17490 10268 1 17 . 1 1 56 56 ILE CA C 346 60.843 60.843 58.609 2.234 17490 10269 1 17 . 1 1 56 56 ILE CB C 346 40.816 40.816 40.765 0.051 17490 10270 1 17 . 1 1 56 56 ILE H H 346 8.229 8.229 8.320 -0.091 17490 10271 1 17 . 1 1 57 57 LEU N N 347 126.095 126.095 127.522 -1.427 17490 10272 1 17 . 1 1 57 57 LEU HA H 347 4.775 4.775 4.759 0.016 17490 10273 1 17 . 1 1 57 57 LEU C C 347 175.764 175.764 174.674 1.090 17490 10274 1 17 . 1 1 57 57 LEU CA C 347 52.746 52.746 54.279 -1.533 17490 10275 1 17 . 1 1 57 57 LEU CB C 347 45.364 45.364 45.697 -0.333 17490 10276 1 17 . 1 1 57 57 LEU H H 347 9.279 9.279 8.653 0.626 17490 10277 1 17 . 1 1 58 58 LEU N N 348 122.946 122.946 122.502 0.444 17490 10278 1 17 . 1 1 58 58 LEU HA H 348 4.338 4.338 4.889 -0.551 17490 10279 1 17 . 1 1 58 58 LEU C C 348 176.476 176.476 175.916 0.560 17490 10280 1 17 . 1 1 58 58 LEU CA C 348 55.221 55.221 53.576 1.645 17490 10281 1 17 . 1 1 58 58 LEU CB C 348 41.496 41.496 44.732 -3.236 17490 10282 1 17 . 1 1 58 58 LEU H H 348 8.925 8.925 8.304 0.621 17490 10283 1 17 . 1 1 59 59 VAL N N 349 123.378 123.378 122.288 1.090 17490 10284 1 17 . 1 1 59 59 VAL HA H 349 4.385 4.385 4.501 -0.116 17490 10285 1 17 . 1 1 59 59 VAL C C 349 176.335 176.335 175.107 1.228 17490 10286 1 17 . 1 1 59 59 VAL CA C 349 59.595 59.595 60.463 -0.868 17490 10287 1 17 . 1 1 59 59 VAL CB C 349 31.100 31.100 34.729 -3.629 17490 10288 1 17 . 1 1 59 59 VAL H H 349 8.637 8.637 8.335 0.302 17490 10289 1 17 . 1 1 60 60 SER N N 350 124.152 124.152 123.820 0.332 17490 10290 1 17 . 1 1 60 60 SER HA H 350 3.907 3.907 4.366 -0.459 17490 10291 1 17 . 1 1 60 60 SER C C 350 177.518 177.518 174.665 2.853 17490 10292 1 17 . 1 1 60 60 SER CA C 350 62.261 62.261 59.531 2.730 17490 10293 1 17 . 1 1 60 60 SER CB C 350 62.301 62.301 63.222 -0.922 17490 10294 1 17 . 1 1 60 60 SER H H 350 8.755 8.755 8.774 -0.019 17490 10295 1 17 . 1 1 61 61 ASP N N 351 119.224 119.224 119.953 -0.729 17490 10296 1 17 . 1 1 61 61 ASP HA H 351 3.964 3.964 4.074 -0.110 17490 10297 1 17 . 1 1 61 61 ASP C C 351 174.721 174.721 174.412 0.309 17490 10298 1 17 . 1 1 61 61 ASP CA C 351 56.162 56.162 55.176 0.986 17490 10299 1 17 . 1 1 61 61 ASP CB C 351 40.102 40.102 39.865 0.237 17490 10300 1 17 . 1 1 61 61 ASP H H 351 9.011 9.011 8.311 0.700 17490 10301 1 17 . 1 1 62 62 PHE N N 352 110.179 110.179 110.065 0.114 17490 10302 1 17 . 1 1 62 62 PHE HA H 352 3.983 3.983 3.903 0.080 17490 10303 1 17 . 1 1 62 62 PHE C C 352 173.268 173.268 173.994 -0.726 17490 10304 1 17 . 1 1 62 62 PHE CA C 352 56.221 56.221 56.836 -0.615 17490 10305 1 17 . 1 1 62 62 PHE CB C 352 39.789 39.789 39.522 0.267 17490 10306 1 17 . 1 1 62 62 PHE H H 352 6.702 6.702 6.868 -0.166 17490 10307 1 17 . 1 1 63 63 ASN N N 353 114.980 114.980 118.522 -3.542 17490 10308 1 17 . 1 1 63 63 ASN HA H 353 4.665 4.665 4.543 0.122 17490 10309 1 17 . 1 1 63 63 ASN C C 353 174.360 174.360 173.459 0.901 17490 10310 1 17 . 1 1 63 63 ASN CA C 353 54.158 54.158 53.856 0.302 17490 10311 1 17 . 1 1 63 63 ASN CB C 353 37.889 37.889 37.626 0.263 17490 10312 1 17 . 1 1 63 63 ASN H H 353 7.708 7.708 7.901 -0.193 17490 10313 1 17 . 1 1 64 64 GLY N N 354 102.117 102.117 105.878 -3.761 17490 10314 1 17 . 1 1 64 64 GLY C C 354 173.093 173.093 171.567 1.526 17490 10315 1 17 . 1 1 64 64 GLY CA C 354 45.413 45.413 45.262 0.151 17490 10316 1 17 . 1 1 64 64 GLY H H 354 7.722 7.722 7.891 -0.169 17490 10317 1 17 . 1 1 65 65 ALA N N 355 120.262 120.262 128.669 -8.407 17490 10318 1 17 . 1 1 65 65 ALA HA H 355 5.055 5.055 5.018 0.037 17490 10319 1 17 . 1 1 65 65 ALA C C 355 174.731 174.731 176.280 -1.549 17490 10320 1 17 . 1 1 65 65 ALA CA C 355 51.429 51.429 50.071 1.358 17490 10321 1 17 . 1 1 65 65 ALA CB C 355 22.924 22.924 19.896 3.028 17490 10322 1 17 . 1 1 65 65 ALA H H 355 8.785 8.785 8.815 -0.030 17490 10323 1 17 . 1 1 66 66 ILE N N 356 121.244 121.244 127.276 -6.032 17490 10324 1 17 . 1 1 66 66 ILE HA H 356 4.711 4.711 4.998 -0.287 17490 10325 1 17 . 1 1 66 66 ILE C C 356 174.154 174.154 174.030 0.124 17490 10326 1 17 . 1 1 66 66 ILE CA C 356 60.570 60.570 60.782 -0.212 17490 10327 1 17 . 1 1 66 66 ILE CB C 356 41.943 41.943 39.582 2.361 17490 10328 1 17 . 1 1 66 66 ILE H H 356 9.390 9.390 8.254 1.136 17490 10329 1 17 . 1 1 67 67 ILE N N 357 127.255 127.255 128.671 -1.416 17490 10330 1 17 . 1 1 67 67 ILE HA H 357 4.433 4.433 4.795 -0.362 17490 10331 1 17 . 1 1 67 67 ILE C C 357 174.004 174.004 174.631 -0.627 17490 10332 1 17 . 1 1 67 67 ILE CA C 357 59.826 59.826 60.172 -0.346 17490 10333 1 17 . 1 1 67 67 ILE CB C 357 38.965 38.965 42.725 -3.760 17490 10334 1 17 . 1 1 67 67 ILE H H 357 9.291 9.291 9.134 0.157 17490 10335 1 17 . 1 1 68 68 ILE N N 358 124.623 124.623 126.703 -2.080 17490 10336 1 17 . 1 1 68 68 ILE HA H 358 4.293 4.293 4.719 -0.426 17490 10337 1 17 . 1 1 68 68 ILE C C 358 176.052 176.052 175.944 0.108 17490 10338 1 17 . 1 1 68 68 ILE CA C 358 61.079 61.079 60.412 0.667 17490 10339 1 17 . 1 1 68 68 ILE CB C 358 38.373 38.373 37.512 0.861 17490 10340 1 17 . 1 1 68 68 ILE H H 358 8.681 8.681 8.094 0.587 17490 10341 1 17 . 1 1 69 69 PHE N N 359 126.100 126.100 125.284 0.816 17490 10342 1 17 . 1 1 69 69 PHE HA H 359 5.130 5.130 4.228 0.902 17490 10343 1 17 . 1 1 69 69 PHE C C 359 175.355 175.355 177.224 -1.869 17490 10344 1 17 . 1 1 69 69 PHE CA C 359 58.156 58.156 62.872 -4.716 17490 10345 1 17 . 1 1 69 69 PHE CB C 359 41.592 41.592 39.435 2.157 17490 10346 1 17 . 1 1 69 69 PHE H H 359 9.086 9.086 8.471 0.615 17490 10347 1 17 . 1 1 70 70 ARG N N 360 115.935 115.935 116.084 -0.149 17490 10348 1 17 . 1 1 70 70 ARG HA H 360 4.068 4.068 4.500 -0.432 17490 10349 1 17 . 1 1 70 70 ARG C C 360 175.099 175.099 174.727 0.372 17490 10350 1 17 . 1 1 70 70 ARG CA C 360 58.594 58.594 55.929 2.664 17490 10351 1 17 . 1 1 70 70 ARG CB C 360 30.664 30.664 31.890 -1.226 17490 10352 1 17 . 1 1 70 70 ARG H H 360 8.268 8.268 8.598 -0.330 17490 10353 1 17 . 1 1 71 71 ASP N N 361 113.892 113.892 117.001 -3.109 17490 10354 1 17 . 1 1 71 71 ASP HA H 361 4.880 4.880 4.724 0.156 17490 10355 1 17 . 1 1 71 71 ASP C C 361 176.087 176.087 176.156 -0.069 17490 10356 1 17 . 1 1 71 71 ASP CA C 361 53.329 53.329 54.064 -0.735 17490 10357 1 17 . 1 1 71 71 ASP CB C 361 44.131 44.131 42.749 1.382 17490 10358 1 17 . 1 1 71 71 ASP H H 361 7.673 7.673 7.859 -0.186 17490 10359 1 17 . 1 1 72 72 SER N N 362 118.590 118.590 118.985 -0.395 17490 10360 1 17 . 1 1 72 72 SER HA H 362 4.310 4.310 4.314 -0.004 17490 10361 1 17 . 1 1 72 72 SER C C 362 176.600 176.600 176.356 0.244 17490 10362 1 17 . 1 1 72 72 SER CA C 362 60.739 60.739 61.170 -0.431 17490 10363 1 17 . 1 1 72 72 SER CB C 362 62.872 62.872 63.400 -0.528 17490 10364 1 17 . 1 1 72 72 SER H H 362 9.103 9.103 8.881 0.222 17490 10365 1 17 . 1 1 73 73 LYS N N 363 125.872 125.872 121.508 4.364 17490 10366 1 17 . 1 1 73 73 LYS HA H 363 4.134 4.134 4.068 0.066 17490 10367 1 17 . 1 1 73 73 LYS C C 363 179.386 179.386 178.712 0.674 17490 10368 1 17 . 1 1 73 73 LYS CA C 363 59.283 59.283 59.003 0.280 17490 10369 1 17 . 1 1 73 73 LYS CB C 363 31.491 31.491 32.157 -0.666 17490 10370 1 17 . 1 1 73 73 LYS H H 363 8.332 8.332 8.450 -0.118 17490 10371 1 17 . 1 1 74 74 PHE N N 364 123.145 123.145 119.473 3.672 17490 10372 1 17 . 1 1 74 74 PHE HA H 364 3.968 3.968 4.279 -0.311 17490 10373 1 17 . 1 1 74 74 PHE C C 364 177.819 177.819 176.558 1.261 17490 10374 1 17 . 1 1 74 74 PHE CA C 364 61.588 61.588 60.145 1.443 17490 10375 1 17 . 1 1 74 74 PHE CB C 364 39.963 39.963 39.042 0.921 17490 10376 1 17 . 1 1 74 74 PHE H H 364 8.482 8.482 7.560 0.922 17490 10377 1 17 . 1 1 75 75 ALA N N 365 119.451 119.451 122.283 -2.832 17490 10378 1 17 . 1 1 75 75 ALA HA H 365 3.396 3.396 3.452 -0.056 17490 10379 1 17 . 1 1 75 75 ALA C C 365 178.100 178.100 179.196 -1.096 17490 10380 1 17 . 1 1 75 75 ALA CA C 365 55.584 55.584 55.077 0.507 17490 10381 1 17 . 1 1 75 75 ALA CB C 365 18.265 18.265 18.018 0.247 17490 10382 1 17 . 1 1 75 75 ALA H H 365 7.835 7.835 8.659 -0.824 17490 10383 1 17 . 1 1 76 76 ALA N N 366 117.626 117.626 119.922 -2.296 17490 10384 1 17 . 1 1 76 76 ALA HA H 366 4.033 4.033 4.040 -0.007 17490 10385 1 17 . 1 1 76 76 ALA C C 366 180.569 180.569 179.347 1.222 17490 10386 1 17 . 1 1 76 76 ALA CA C 366 54.996 54.996 54.797 0.199 17490 10387 1 17 . 1 1 76 76 ALA CB C 366 18.040 18.040 18.188 -0.148 17490 10388 1 17 . 1 1 76 76 ALA H H 366 7.680 7.680 8.176 -0.496 17490 10389 1 17 . 1 1 77 77 LYS N N 367 118.273 118.273 119.476 -1.203 17490 10390 1 17 . 1 1 77 77 LYS HA H 367 3.998 3.998 4.017 -0.019 17490 10391 1 17 . 1 1 77 77 LYS C C 367 178.964 178.964 178.174 0.790 17490 10392 1 17 . 1 1 77 77 LYS CA C 367 58.803 58.803 59.038 -0.235 17490 10393 1 17 . 1 1 77 77 LYS CB C 367 32.106 32.106 32.278 -0.172 17490 10394 1 17 . 1 1 77 77 LYS H H 367 7.302 7.302 7.806 -0.504 17490 10395 1 17 . 1 1 78 78 MET N N 368 117.578 117.578 118.865 -1.287 17490 10396 1 17 . 1 1 78 78 MET HA H 368 4.273 4.273 4.116 0.157 17490 10397 1 17 . 1 1 78 78 MET C C 368 178.167 178.167 177.917 0.250 17490 10398 1 17 . 1 1 78 78 MET CA C 368 55.734 55.734 57.492 -1.758 17490 10399 1 17 . 1 1 78 78 MET CB C 368 32.382 32.382 32.166 0.216 17490 10400 1 17 . 1 1 78 78 MET H H 368 7.785 7.785 7.666 0.119 17490 10401 1 17 . 1 1 79 79 LEU N N 369 120.984 120.984 122.994 -2.010 17490 10402 1 17 . 1 1 79 79 LEU HA H 369 3.786 3.786 3.941 -0.155 17490 10403 1 17 . 1 1 79 79 LEU C C 369 179.060 179.060 178.679 0.381 17490 10404 1 17 . 1 1 79 79 LEU CA C 369 59.377 59.377 58.517 0.860 17490 10405 1 17 . 1 1 79 79 LEU CB C 369 42.354 42.354 41.682 0.672 17490 10406 1 17 . 1 1 79 79 LEU H H 369 8.197 8.197 7.828 0.369 17490 10407 1 17 . 1 1 80 80 MET N N 370 114.071 114.071 114.852 -0.781 17490 10408 1 17 . 1 1 80 80 MET HA H 370 4.277 4.277 4.158 0.119 17490 10409 1 17 . 1 1 80 80 MET C C 370 178.184 178.184 177.959 0.225 17490 10410 1 17 . 1 1 80 80 MET CA C 370 57.627 57.627 58.649 -1.022 17490 10411 1 17 . 1 1 80 80 MET CB C 370 32.543 32.543 32.715 -0.172 17490 10412 1 17 . 1 1 80 80 MET H H 370 7.018 7.018 7.820 -0.802 17490 10413 1 17 . 1 1 81 81 ILE N N 371 118.056 118.056 116.876 1.180 17490 10414 1 17 . 1 1 81 81 ILE HA H 371 3.885 3.885 3.967 -0.082 17490 10415 1 17 . 1 1 81 81 ILE C C 371 177.491 177.491 177.057 0.434 17490 10416 1 17 . 1 1 81 81 ILE CA C 371 63.571 63.571 63.089 0.482 17490 10417 1 17 . 1 1 81 81 ILE CB C 371 38.716 38.716 38.449 0.267 17490 10418 1 17 . 1 1 81 81 ILE H H 371 7.615 7.615 7.572 0.043 17490 10419 1 17 . 1 1 82 82 LEU N N 372 116.858 116.858 120.593 -3.735 17490 10420 1 17 . 1 1 82 82 LEU HA H 372 4.100 4.100 4.395 -0.295 17490 10421 1 17 . 1 1 82 82 LEU C C 372 178.360 178.360 176.400 1.960 17490 10422 1 17 . 1 1 82 82 LEU CA C 372 55.929 55.929 56.089 -0.160 17490 10423 1 17 . 1 1 82 82 LEU CB C 372 42.309 42.309 43.168 -0.859 17490 10424 1 17 . 1 1 82 82 LEU H H 372 8.160 8.160 8.093 0.067 17490 10425 1 17 . 1 1 83 83 ASN N N 373 117.015 117.015 117.412 -0.397 17490 10426 1 17 . 1 1 83 83 ASN HA H 373 4.348 4.348 4.710 -0.362 17490 10427 1 17 . 1 1 83 83 ASN C C 373 175.671 175.671 174.773 0.898 17490 10428 1 17 . 1 1 83 83 ASN CA C 373 55.793 55.793 54.300 1.493 17490 10429 1 17 . 1 1 83 83 ASN CB C 373 38.434 38.434 38.697 -0.263 17490 10430 1 17 . 1 1 83 83 ASN H H 373 7.058 7.058 7.984 -0.926 17490 10431 1 17 . 1 1 84 84 GLY N N 374 116.878 116.878 110.433 6.445 17490 10432 1 17 . 1 1 84 84 GLY C C 374 174.602 174.602 173.806 0.796 17490 10433 1 17 . 1 1 84 84 GLY CA C 374 45.842 45.842 45.297 0.545 17490 10434 1 17 . 1 1 84 84 GLY H H 374 9.053 9.053 8.145 0.908 17490 10435 1 17 . 1 1 85 85 SER N N 375 116.615 116.615 115.729 0.886 17490 10436 1 17 . 1 1 85 85 SER HA H 375 4.407 4.407 4.791 -0.384 17490 10437 1 17 . 1 1 85 85 SER C C 375 171.580 171.580 173.545 -1.965 17490 10438 1 17 . 1 1 85 85 SER CA C 375 59.280 59.280 56.950 2.330 17490 10439 1 17 . 1 1 85 85 SER CB C 375 64.303 64.303 65.167 -0.864 17490 10440 1 17 . 1 1 85 85 SER H H 375 7.666 7.666 8.267 -0.601 17490 10441 1 17 . 1 1 86 86 GLN N N 376 117.824 117.824 119.154 -1.330 17490 10442 1 17 . 1 1 86 86 GLN HA H 376 4.893 4.893 5.319 -0.426 17490 10443 1 17 . 1 1 86 86 GLN C C 376 175.033 175.033 174.913 0.120 17490 10444 1 17 . 1 1 86 86 GLN CA C 376 54.885 54.885 55.096 -0.212 17490 10445 1 17 . 1 1 86 86 GLN CB C 376 30.733 30.733 32.550 -1.817 17490 10446 1 17 . 1 1 86 86 GLN H H 376 8.381 8.381 8.406 -0.025 17490 10447 1 17 . 1 1 87 87 PHE N N 377 124.095 124.095 123.449 0.646 17490 10448 1 17 . 1 1 87 87 PHE HA H 377 4.472 4.472 4.741 -0.269 17490 10449 1 17 . 1 1 87 87 PHE C C 377 174.760 174.760 174.497 0.263 17490 10450 1 17 . 1 1 87 87 PHE CA C 377 56.009 56.009 58.947 -2.938 17490 10451 1 17 . 1 1 87 87 PHE CB C 377 41.519 41.519 42.616 -1.097 17490 10452 1 17 . 1 1 87 87 PHE H H 377 8.974 8.974 9.027 -0.053 17490 10453 1 17 . 1 1 88 88 GLN N N 378 126.108 126.108 123.740 2.368 17490 10454 1 17 . 1 1 88 88 GLN HA H 378 3.505 3.505 3.925 -0.420 17490 10455 1 17 . 1 1 88 88 GLN C C 378 176.162 176.162 175.453 0.709 17490 10456 1 17 . 1 1 88 88 GLN CA C 378 56.570 56.570 56.975 -0.405 17490 10457 1 17 . 1 1 88 88 GLN CB C 378 26.070 26.070 27.257 -1.187 17490 10458 1 17 . 1 1 88 88 GLN H H 378 9.139 9.139 8.826 0.313 17490 10459 1 17 . 1 1 89 89 GLY N N 379 103.132 103.132 103.174 -0.042 17490 10460 1 17 . 1 1 89 89 GLY C C 379 173.587 173.587 173.637 -0.050 17490 10461 1 17 . 1 1 89 89 GLY CA C 379 45.382 45.382 45.094 0.287 17490 10462 1 17 . 1 1 89 89 GLY H H 379 8.580 8.580 8.098 0.482 17490 10463 1 17 . 1 1 90 90 LYS N N 380 119.783 119.783 119.508 0.275 17490 10464 1 17 . 1 1 90 90 LYS HA H 380 4.697 4.697 4.741 -0.044 17490 10465 1 17 . 1 1 90 90 LYS C C 380 174.500 174.500 174.952 -0.452 17490 10466 1 17 . 1 1 90 90 LYS CA C 380 54.019 54.019 53.985 0.034 17490 10467 1 17 . 1 1 90 90 LYS CB C 380 35.919 35.919 36.104 -0.185 17490 10468 1 17 . 1 1 90 90 LYS H H 380 7.457 7.457 7.816 -0.359 17490 10469 1 17 . 1 1 91 91 VAL N N 381 121.517 121.517 122.126 -0.609 17490 10470 1 17 . 1 1 91 91 VAL HA H 381 4.294 4.294 4.650 -0.356 17490 10471 1 17 . 1 1 91 91 VAL C C 381 176.729 176.729 176.024 0.705 17490 10472 1 17 . 1 1 91 91 VAL CA C 381 63.176 63.176 61.720 1.456 17490 10473 1 17 . 1 1 91 91 VAL CB C 381 32.073 32.073 32.370 -0.297 17490 10474 1 17 . 1 1 91 91 VAL H H 381 8.256 8.256 8.493 -0.237 17490 10475 1 17 . 1 1 92 92 ILE N N 382 124.746 124.746 126.314 -1.568 17490 10476 1 17 . 1 1 92 92 ILE HA H 382 4.533 4.533 4.690 -0.157 17490 10477 1 17 . 1 1 92 92 ILE C C 382 173.501 173.501 174.206 -0.705 17490 10478 1 17 . 1 1 92 92 ILE CA C 382 59.249 59.249 59.338 -0.089 17490 10479 1 17 . 1 1 92 92 ILE CB C 382 41.995 41.995 38.096 3.899 17490 10480 1 17 . 1 1 92 92 ILE H H 382 8.788 8.788 8.395 0.393 17490 10481 1 17 . 1 1 93 93 ARG N N 383 119.723 119.723 125.062 -5.339 17490 10482 1 17 . 1 1 93 93 ARG HA H 383 4.608 4.608 4.906 -0.298 17490 10483 1 17 . 1 1 93 93 ARG C C 383 173.979 173.979 174.783 -0.804 17490 10484 1 17 . 1 1 93 93 ARG CA C 383 53.178 53.178 54.199 -1.021 17490 10485 1 17 . 1 1 93 93 ARG CB C 383 31.724 31.724 32.946 -1.222 17490 10486 1 17 . 1 1 93 93 ARG H H 383 8.500 8.500 8.543 -0.043 17490 10487 1 17 . 1 1 94 94 SER N N 384 110.386 110.386 114.102 -3.716 17490 10488 1 17 . 1 1 94 94 SER HA H 384 5.685 5.685 4.990 0.695 17490 10489 1 17 . 1 1 94 94 SER C C 384 174.791 174.791 174.011 0.780 17490 10490 1 17 . 1 1 94 94 SER CA C 384 54.419 54.419 57.110 -2.691 17490 10491 1 17 . 1 1 94 94 SER CB C 384 67.147 67.147 66.454 0.693 17490 10492 1 17 . 1 1 94 94 SER H H 384 7.700 7.700 8.194 -0.494 17490 10493 1 17 . 1 1 95 95 GLY N N 385 106.738 106.738 105.580 1.158 17490 10494 1 17 . 1 1 95 95 GLY C C 385 171.619 171.619 172.603 -0.984 17490 10495 1 17 . 1 1 95 95 GLY CA C 385 45.904 45.904 45.768 0.136 17490 10496 1 17 . 1 1 95 95 GLY H H 385 8.360 8.360 8.636 -0.276 17490 10497 1 17 . 1 1 96 96 THR N N 386 111.493 111.493 111.834 -0.341 17490 10498 1 17 . 1 1 96 96 THR HA H 386 4.604 4.604 4.710 -0.106 17490 10499 1 17 . 1 1 96 96 THR C C 386 175.600 175.600 175.919 -0.319 17490 10500 1 17 . 1 1 96 96 THR CA C 386 60.901 60.901 60.752 0.149 17490 10501 1 17 . 1 1 96 96 THR CB C 386 71.709 71.709 71.248 0.462 17490 10502 1 17 . 1 1 96 96 THR H H 386 9.274 9.274 8.211 1.063 17490 10503 1 17 . 1 1 97 97 ILE N N 387 121.293 121.293 118.190 3.103 17490 10504 1 17 . 1 1 97 97 ILE HA H 387 3.881 3.881 3.884 -0.003 17490 10505 1 17 . 1 1 97 97 ILE C C 387 178.109 178.109 177.313 0.796 17490 10506 1 17 . 1 1 97 97 ILE CA C 387 65.826 65.826 64.527 1.299 17490 10507 1 17 . 1 1 97 97 ILE CB C 387 37.717 37.717 37.956 -0.239 17490 10508 1 17 . 1 1 97 97 ILE H H 387 9.339 9.339 8.188 1.151 17490 10509 1 17 . 1 1 98 98 ASN N N 388 117.358 117.358 118.246 -0.888 17490 10510 1 17 . 1 1 98 98 ASN HA H 388 4.224 4.224 4.361 -0.137 17490 10511 1 17 . 1 1 98 98 ASN C C 388 178.040 178.040 176.850 1.190 17490 10512 1 17 . 1 1 98 98 ASN CA C 388 56.205 56.205 56.241 -0.036 17490 10513 1 17 . 1 1 98 98 ASN CB C 388 37.719 37.719 38.518 -0.799 17490 10514 1 17 . 1 1 98 98 ASN H H 388 8.162 8.162 7.878 0.284 17490 10515 1 17 . 1 1 99 99 ASP N N 389 121.336 121.336 120.623 0.713 17490 10516 1 17 . 1 1 99 99 ASP HA H 389 4.236 4.236 4.014 0.222 17490 10517 1 17 . 1 1 99 99 ASP C C 389 177.813 177.813 177.645 0.168 17490 10518 1 17 . 1 1 99 99 ASP CA C 389 57.639 57.639 56.529 1.110 17490 10519 1 17 . 1 1 99 99 ASP CB C 389 40.497 40.497 40.447 0.050 17490 10520 1 17 . 1 1 99 99 ASP H H 389 7.865 7.865 8.078 -0.213 17490 10521 1 17 . 1 1 100 100 MET N N 390 122.932 122.932 117.554 5.378 17490 10522 1 17 . 1 1 100 100 MET HA H 390 4.499 4.499 4.201 0.298 17490 10523 1 17 . 1 1 100 100 MET C C 390 178.081 178.081 177.834 0.247 17490 10524 1 17 . 1 1 100 100 MET CA C 390 58.402 58.402 59.215 -0.813 17490 10525 1 17 . 1 1 100 100 MET CB C 390 32.263 32.263 32.403 -0.140 17490 10526 1 17 . 1 1 100 100 MET H H 390 7.874 7.874 7.527 0.347 17490 10527 1 17 . 1 1 101 101 LYS N N 391 118.764 118.764 120.515 -1.751 17490 10528 1 17 . 1 1 101 101 LYS HA H 391 3.484 3.484 4.031 -0.547 17490 10529 1 17 . 1 1 101 101 LYS C C 391 178.102 178.102 179.158 -1.056 17490 10530 1 17 . 1 1 101 101 LYS CA C 391 60.070 60.070 60.006 0.064 17490 10531 1 17 . 1 1 101 101 LYS CB C 391 32.468 32.468 32.136 0.332 17490 10532 1 17 . 1 1 101 101 LYS H H 391 7.994 7.994 7.431 0.563 17490 10533 1 17 . 1 1 102 102 ARG N N 392 118.974 118.974 119.373 -0.399 17490 10534 1 17 . 1 1 102 102 ARG HA H 392 3.971 3.971 4.116 -0.145 17490 10535 1 17 . 1 1 102 102 ARG C C 392 178.433 178.433 178.754 -0.321 17490 10536 1 17 . 1 1 102 102 ARG CA C 392 59.485 59.485 58.361 1.124 17490 10537 1 17 . 1 1 102 102 ARG CB C 392 30.282 30.282 29.507 0.775 17490 10538 1 17 . 1 1 102 102 ARG H H 392 8.088 8.088 7.893 0.195 17490 10539 1 17 . 1 1 103 103 TYR N N 393 119.904 119.904 119.045 0.859 17490 10540 1 17 . 1 1 103 103 TYR HA H 393 4.017 4.017 4.037 -0.020 17490 10541 1 17 . 1 1 103 103 TYR C C 393 177.819 177.819 178.057 -0.238 17490 10542 1 17 . 1 1 103 103 TYR CA C 393 61.926 61.926 58.630 3.296 17490 10543 1 17 . 1 1 103 103 TYR CB C 393 39.373 39.373 36.739 2.634 17490 10544 1 17 . 1 1 103 103 TYR H H 393 8.058 8.058 7.811 0.247 17490 10545 1 17 . 1 1 104 104 TYR N N 394 119.418 119.418 120.629 -1.211 17490 10546 1 17 . 1 1 104 104 TYR HA H 394 4.167 4.167 4.343 -0.176 17490 10547 1 17 . 1 1 104 104 TYR C C 394 177.920 177.920 177.267 0.653 17490 10548 1 17 . 1 1 104 104 TYR CA C 394 61.764 61.764 60.488 1.276 17490 10549 1 17 . 1 1 104 104 TYR CB C 394 39.162 39.162 38.451 0.711 17490 10550 1 17 . 1 1 104 104 TYR H H 394 7.846 7.846 8.551 -0.705 17490 10551 1 17 . 1 1 105 105 ASN N N 395 117.373 117.373 118.052 -0.679 17490 10552 1 17 . 1 1 105 105 ASN HA H 395 4.414 4.414 3.982 0.432 17490 10553 1 17 . 1 1 105 105 ASN C C 395 176.906 176.906 177.371 -0.465 17490 10554 1 17 . 1 1 105 105 ASN CA C 395 55.691 55.691 56.702 -1.011 17490 10555 1 17 . 1 1 105 105 ASN CB C 395 38.472 38.472 38.017 0.455 17490 10556 1 17 . 1 1 105 105 ASN H H 395 8.499 8.499 8.120 0.379 17490 10557 1 17 . 1 1 106 106 ASN N N 396 118.101 118.101 118.187 -0.086 17490 10558 1 17 . 1 1 106 106 ASN HA H 396 4.531 4.531 4.455 0.076 17490 10559 1 17 . 1 1 106 106 ASN C C 396 176.450 176.450 177.249 -0.799 17490 10560 1 17 . 1 1 106 106 ASN CA C 396 54.775 54.775 55.056 -0.281 17490 10561 1 17 . 1 1 106 106 ASN CB C 396 38.543 38.543 38.465 0.078 17490 10562 1 17 . 1 1 106 106 ASN H H 396 8.081 8.081 8.035 0.046 17490 10563 1 17 . 1 1 107 107 GLN N N 397 118.903 118.903 119.004 -0.101 17490 10564 1 17 . 1 1 107 107 GLN HA H 397 3.977 3.977 4.177 -0.200 17490 10565 1 17 . 1 1 107 107 GLN C C 397 176.907 176.907 177.876 -0.969 17490 10566 1 17 . 1 1 107 107 GLN CA C 397 56.815 56.815 58.161 -1.346 17490 10567 1 17 . 1 1 107 107 GLN CB C 397 28.610 28.610 28.726 -0.116 17490 10568 1 17 . 1 1 107 107 GLN H H 397 7.772 7.772 7.794 -0.022 17490 10569 1 17 . 1 1 108 108 GLN N N 398 118.101 118.101 117.056 1.045 17490 10570 1 17 . 1 1 108 108 GLN HA H 398 3.920 3.920 4.107 -0.187 17490 10571 1 17 . 1 1 108 108 GLN C C 398 176.321 176.321 176.949 -0.628 17490 10572 1 17 . 1 1 108 108 GLN CA C 398 56.554 56.554 57.231 -0.677 17490 10573 1 17 . 1 1 108 108 GLN CB C 398 28.650 28.650 29.141 -0.491 17490 10574 1 17 . 1 1 108 108 GLN H H 398 7.854 7.854 8.187 -0.333 17490 10575 1 18 . 1 1 3 3 LEU N N 293 125.082 125.082 118.820 6.262 17490 10576 1 18 . 1 1 3 3 LEU HA H 293 4.292 4.292 4.890 -0.598 17490 10577 1 18 . 1 1 3 3 LEU C C 293 177.442 177.442 176.713 0.729 17490 10578 1 18 . 1 1 3 3 LEU CA C 293 55.523 55.523 54.740 0.783 17490 10579 1 18 . 1 1 3 3 LEU CB C 293 42.516 42.516 43.233 -0.718 17490 10580 1 18 . 1 1 3 3 LEU H H 293 8.321 8.321 8.305 0.016 17490 10581 1 18 . 1 1 4 4 GLU N N 294 122.906 122.906 123.308 -0.402 17490 10582 1 18 . 1 1 4 4 GLU HA H 294 4.069 4.069 3.986 0.083 17490 10583 1 18 . 1 1 4 4 GLU C C 294 177.158 177.158 178.665 -1.507 17490 10584 1 18 . 1 1 4 4 GLU CA C 294 58.307 58.307 59.963 -1.656 17490 10585 1 18 . 1 1 4 4 GLU CB C 294 29.676 29.676 29.524 0.152 17490 10586 1 18 . 1 1 4 4 GLU H H 294 8.521 8.521 8.954 -0.433 17490 10587 1 18 . 1 1 5 5 ARG N N 295 120.270 120.270 116.643 3.627 17490 10588 1 18 . 1 1 5 5 ARG HA H 295 4.131 4.131 4.020 0.111 17490 10589 1 18 . 1 1 5 5 ARG C C 295 177.768 177.768 178.699 -0.931 17490 10590 1 18 . 1 1 5 5 ARG CA C 295 58.082 58.082 59.419 -1.337 17490 10591 1 18 . 1 1 5 5 ARG CB C 295 30.192 30.192 29.894 0.298 17490 10592 1 18 . 1 1 5 5 ARG H H 295 8.327 8.327 8.593 -0.266 17490 10593 1 18 . 1 1 6 6 ASN N N 296 118.639 118.639 118.605 0.034 17490 10594 1 18 . 1 1 6 6 ASN HA H 296 4.554 4.554 4.597 -0.043 17490 10595 1 18 . 1 1 6 6 ASN C C 296 176.830 176.830 177.218 -0.388 17490 10596 1 18 . 1 1 6 6 ASN CA C 296 54.901 54.901 56.010 -1.109 17490 10597 1 18 . 1 1 6 6 ASN CB C 296 38.115 38.115 38.307 -0.192 17490 10598 1 18 . 1 1 6 6 ASN H H 296 8.257 8.257 8.084 0.173 17490 10599 1 18 . 1 1 7 7 GLU N N 297 123.935 123.935 121.809 2.126 17490 10600 1 18 . 1 1 7 7 GLU HA H 297 4.266 4.266 4.152 0.114 17490 10601 1 18 . 1 1 7 7 GLU C C 297 178.102 178.102 179.278 -1.176 17490 10602 1 18 . 1 1 7 7 GLU CA C 297 58.897 58.897 59.423 -0.526 17490 10603 1 18 . 1 1 7 7 GLU CB C 297 29.814 29.814 29.844 -0.030 17490 10604 1 18 . 1 1 7 7 GLU H H 297 8.185 8.185 7.986 0.199 17490 10605 1 18 . 1 1 8 8 VAL N N 298 118.916 118.916 118.920 -0.004 17490 10606 1 18 . 1 1 8 8 VAL HA H 298 3.399 3.399 3.567 -0.168 17490 10607 1 18 . 1 1 8 8 VAL C C 298 177.131 177.131 177.575 -0.444 17490 10608 1 18 . 1 1 8 8 VAL CA C 298 67.619 67.619 66.362 1.257 17490 10609 1 18 . 1 1 8 8 VAL CB C 298 32.041 32.041 31.613 0.428 17490 10610 1 18 . 1 1 8 8 VAL H H 298 8.095 8.095 8.725 -0.630 17490 10611 1 18 . 1 1 9 9 LYS N N 299 117.791 117.791 120.681 -2.890 17490 10612 1 18 . 1 1 9 9 LYS HA H 299 3.804 3.804 3.993 -0.189 17490 10613 1 18 . 1 1 9 9 LYS C C 299 179.259 179.259 178.747 0.512 17490 10614 1 18 . 1 1 9 9 LYS CA C 299 59.806 59.806 59.645 0.161 17490 10615 1 18 . 1 1 9 9 LYS CB C 299 32.290 32.290 32.168 0.122 17490 10616 1 18 . 1 1 9 9 LYS H H 299 7.771 7.771 7.633 0.138 17490 10617 1 18 . 1 1 10 10 ARG N N 300 119.032 119.032 118.850 0.182 17490 10618 1 18 . 1 1 10 10 ARG HA H 300 3.934 3.934 4.095 -0.161 17490 10619 1 18 . 1 1 10 10 ARG C C 300 179.680 179.680 179.206 0.474 17490 10620 1 18 . 1 1 10 10 ARG CA C 300 59.444 59.444 58.416 1.028 17490 10621 1 18 . 1 1 10 10 ARG CB C 300 30.190 30.190 29.778 0.412 17490 10622 1 18 . 1 1 10 10 ARG H H 300 7.834 7.834 8.282 -0.448 17490 10623 1 18 . 1 1 11 11 LEU N N 301 120.881 120.881 119.663 1.218 17490 10624 1 18 . 1 1 11 11 LEU HA H 301 3.890 3.890 4.190 -0.300 17490 10625 1 18 . 1 1 11 11 LEU C C 301 178.937 178.937 178.396 0.541 17490 10626 1 18 . 1 1 11 11 LEU CA C 301 58.067 58.067 57.141 0.926 17490 10627 1 18 . 1 1 11 11 LEU CB C 301 42.051 42.051 41.991 0.060 17490 10628 1 18 . 1 1 11 11 LEU H H 301 8.147 8.147 7.826 0.321 17490 10629 1 18 . 1 1 12 12 LEU N N 302 116.294 116.294 118.998 -2.704 17490 10630 1 18 . 1 1 12 12 LEU HA H 302 3.874 3.874 4.032 -0.158 17490 10631 1 18 . 1 1 12 12 LEU C C 302 177.360 177.360 177.731 -0.371 17490 10632 1 18 . 1 1 12 12 LEU CA C 302 57.498 57.498 57.583 -0.085 17490 10633 1 18 . 1 1 12 12 LEU CB C 302 41.506 41.506 42.517 -1.011 17490 10634 1 18 . 1 1 12 12 LEU H H 302 8.331 8.331 7.727 0.604 17490 10635 1 18 . 1 1 13 13 ALA N N 303 117.998 117.998 118.126 -0.128 17490 10636 1 18 . 1 1 13 13 ALA HA H 303 4.480 4.480 4.382 0.098 17490 10637 1 18 . 1 1 13 13 ALA C C 303 177.554 177.554 177.867 -0.313 17490 10638 1 18 . 1 1 13 13 ALA CA C 303 51.290 51.290 52.359 -1.069 17490 10639 1 18 . 1 1 13 13 ALA CB C 303 19.810 19.810 19.562 0.247 17490 10640 1 18 . 1 1 13 13 ALA H H 303 7.109 7.109 7.596 -0.487 17490 10641 1 18 . 1 1 14 14 SER N N 304 114.833 114.833 114.869 -0.036 17490 10642 1 18 . 1 1 14 14 SER HA H 304 4.175 4.175 4.276 -0.101 17490 10643 1 18 . 1 1 14 14 SER C C 304 175.762 175.762 174.989 0.773 17490 10644 1 18 . 1 1 14 14 SER CA C 304 59.344 59.344 59.678 -0.334 17490 10645 1 18 . 1 1 14 14 SER CB C 304 63.704 63.704 63.600 0.104 17490 10646 1 18 . 1 1 14 14 SER H H 304 7.265 7.265 7.682 -0.417 17490 10647 1 18 . 1 1 15 15 ARG N N 305 125.370 125.370 124.832 0.538 17490 10648 1 18 . 1 1 15 15 ARG HA H 305 4.555 4.555 4.318 0.237 17490 10649 1 18 . 1 1 15 15 ARG C C 305 175.442 175.442 175.909 -0.467 17490 10650 1 18 . 1 1 15 15 ARG CA C 305 54.847 54.847 56.217 -1.370 17490 10651 1 18 . 1 1 15 15 ARG CB C 305 30.415 30.415 30.866 -0.451 17490 10652 1 18 . 1 1 15 15 ARG H H 305 8.872 8.872 8.470 0.402 17490 10653 1 18 . 1 1 16 16 ASN N N 306 120.536 120.536 119.730 0.806 17490 10654 1 18 . 1 1 16 16 ASN HA H 306 4.774 4.774 4.646 0.128 17490 10655 1 18 . 1 1 16 16 ASN C C 306 175.146 175.146 176.164 -1.018 17490 10656 1 18 . 1 1 16 16 ASN CA C 306 52.434 52.434 53.243 -0.809 17490 10657 1 18 . 1 1 16 16 ASN CB C 306 38.294 38.294 37.870 0.424 17490 10658 1 18 . 1 1 16 16 ASN H H 306 8.367 8.367 8.145 0.222 17490 10659 1 18 . 1 1 17 17 SER N N 307 121.694 121.694 122.695 -1.001 17490 10660 1 18 . 1 1 17 17 SER HA H 307 4.090 4.090 4.268 -0.178 17490 10661 1 18 . 1 1 17 17 SER C C 307 175.970 175.970 175.008 0.962 17490 10662 1 18 . 1 1 17 17 SER CA C 307 61.484 61.484 60.031 1.453 17490 10663 1 18 . 1 1 17 17 SER CB C 307 62.850 62.850 62.916 -0.066 17490 10664 1 18 . 1 1 17 17 SER H H 307 8.656 8.656 8.695 -0.039 17490 10665 1 18 . 1 1 18 18 LYS N N 308 120.961 120.961 122.444 -1.483 17490 10666 1 18 . 1 1 18 18 LYS HA H 308 4.115 4.115 4.464 -0.349 17490 10667 1 18 . 1 1 18 18 LYS C C 308 178.999 178.999 178.419 0.580 17490 10668 1 18 . 1 1 18 18 LYS CA C 308 58.606 58.606 58.923 -0.317 17490 10669 1 18 . 1 1 18 18 LYS CB C 308 31.614 31.614 32.390 -0.776 17490 10670 1 18 . 1 1 18 18 LYS H H 308 8.060 8.060 7.688 0.372 17490 10671 1 18 . 1 1 19 19 GLU N N 309 118.377 118.377 120.044 -1.667 17490 10672 1 18 . 1 1 19 19 GLU HA H 309 4.198 4.198 4.196 0.002 17490 10673 1 18 . 1 1 19 19 GLU C C 309 178.136 178.136 178.649 -0.513 17490 10674 1 18 . 1 1 19 19 GLU CA C 309 57.939 57.939 59.474 -1.535 17490 10675 1 18 . 1 1 19 19 GLU CB C 309 30.115 30.115 29.681 0.434 17490 10676 1 18 . 1 1 19 19 GLU H H 309 7.520 7.520 7.889 -0.369 17490 10677 1 18 . 1 1 20 20 LEU N N 310 118.101 118.101 116.740 1.361 17490 10678 1 18 . 1 1 20 20 LEU HA H 310 4.168 4.168 4.178 -0.010 17490 10679 1 18 . 1 1 20 20 LEU C C 310 179.112 179.112 178.344 0.768 17490 10680 1 18 . 1 1 20 20 LEU CA C 310 56.583 56.583 56.316 0.267 17490 10681 1 18 . 1 1 20 20 LEU CB C 310 41.611 41.611 40.471 1.140 17490 10682 1 18 . 1 1 20 20 LEU H H 310 7.741 7.741 7.558 0.183 17490 10683 1 18 . 1 1 21 21 GLU N N 311 116.130 116.130 119.079 -2.949 17490 10684 1 18 . 1 1 21 21 GLU HA H 311 4.342 4.342 4.161 0.181 17490 10685 1 18 . 1 1 21 21 GLU C C 311 176.928 176.928 178.970 -2.042 17490 10686 1 18 . 1 1 21 21 GLU CA C 311 58.216 58.216 58.474 -0.258 17490 10687 1 18 . 1 1 21 21 GLU CB C 311 29.608 29.608 29.620 -0.012 17490 10688 1 18 . 1 1 21 21 GLU H H 311 7.747 7.747 7.642 0.105 17490 10689 1 18 . 1 1 22 22 THR N N 312 106.131 106.131 117.560 -11.429 17490 10690 1 18 . 1 1 22 22 THR HA H 312 4.182 4.182 4.171 0.011 17490 10691 1 18 . 1 1 22 22 THR C C 312 172.032 172.032 176.151 -4.119 17490 10692 1 18 . 1 1 22 22 THR CA C 312 61.539 61.539 65.605 -4.066 17490 10693 1 18 . 1 1 22 22 THR CB C 312 69.426 69.426 69.047 0.379 17490 10694 1 18 . 1 1 22 22 THR H H 312 7.446 7.446 7.857 -0.411 17490 10695 1 18 . 1 1 23 23 LEU N N 313 120.178 120.178 117.218 2.960 17490 10696 1 18 . 1 1 23 23 LEU HA H 313 5.869 5.869 4.877 0.992 17490 10697 1 18 . 1 1 23 23 LEU C C 313 175.604 175.604 175.237 0.367 17490 10698 1 18 . 1 1 23 23 LEU CA C 313 52.838 52.838 54.197 -1.359 17490 10699 1 18 . 1 1 23 23 LEU CB C 313 46.851 46.851 44.570 2.281 17490 10700 1 18 . 1 1 23 23 LEU H H 313 7.538 7.538 7.719 -0.181 17490 10701 1 18 . 1 1 24 24 ILE N N 314 113.990 113.990 109.613 4.377 17490 10702 1 18 . 1 1 24 24 ILE HA H 314 4.717 4.717 4.653 0.064 17490 10703 1 18 . 1 1 24 24 ILE C C 314 173.530 173.530 173.822 -0.292 17490 10704 1 18 . 1 1 24 24 ILE CA C 314 59.368 59.368 59.063 0.305 17490 10705 1 18 . 1 1 24 24 ILE CB C 314 42.319 42.319 41.713 0.606 17490 10706 1 18 . 1 1 24 24 ILE H H 314 8.904 8.904 8.293 0.611 17490 10707 1 18 . 1 1 25 25 CYS N N 315 117.755 117.755 120.014 -2.259 17490 10708 1 18 . 1 1 25 25 CYS HA H 315 5.914 5.914 5.495 0.419 17490 10709 1 18 . 1 1 25 25 CYS C C 315 174.153 174.153 174.883 -0.730 17490 10710 1 18 . 1 1 25 25 CYS CA C 315 57.187 57.187 56.902 0.285 17490 10711 1 18 . 1 1 25 25 CYS CB C 315 31.754 31.754 27.916 3.838 17490 10712 1 18 . 1 1 25 25 CYS H H 315 9.021 9.021 8.976 0.045 17490 10713 1 18 . 1 1 26 26 LEU N N 316 119.952 119.952 125.353 -5.401 17490 10714 1 18 . 1 1 26 26 LEU HA H 316 5.363 5.363 5.142 0.221 17490 10715 1 18 . 1 1 26 26 LEU C C 316 176.015 176.015 176.104 -0.089 17490 10716 1 18 . 1 1 26 26 LEU CA C 316 53.072 53.072 55.003 -1.931 17490 10717 1 18 . 1 1 26 26 LEU CB C 316 45.891 45.891 42.987 2.904 17490 10718 1 18 . 1 1 26 26 LEU H H 316 8.778 8.778 9.204 -0.426 17490 10719 1 18 . 1 1 27 27 PHE N N 317 116.116 116.116 125.016 -8.900 17490 10720 1 18 . 1 1 27 27 PHE HA H 317 4.158 4.158 5.063 -0.905 17490 10721 1 18 . 1 1 27 27 PHE CA C 317 55.594 55.594 53.254 2.340 17490 10722 1 18 . 1 1 27 27 PHE CB C 317 37.765 37.765 40.082 -2.317 17490 10723 1 18 . 1 1 27 27 PHE H H 317 7.827 7.827 8.761 -0.934 17490 10724 1 18 . 1 1 28 28 PRO HA H 318 5.322 5.322 4.495 0.827 17490 10725 1 18 . 1 1 28 28 PRO C C 318 175.163 175.163 175.010 0.153 17490 10726 1 18 . 1 1 28 28 PRO CA C 318 61.657 61.657 62.100 -0.443 17490 10727 1 18 . 1 1 28 28 PRO CB C 318 34.356 34.356 30.688 3.668 17490 10728 1 18 . 1 1 29 29 LEU N N 319 120.206 120.206 117.100 3.106 17490 10729 1 18 . 1 1 29 29 LEU HA H 319 4.674 4.674 4.461 0.213 17490 10730 1 18 . 1 1 29 29 LEU C C 319 176.806 176.806 175.705 1.101 17490 10731 1 18 . 1 1 29 29 LEU CA C 319 52.817 52.817 53.600 -0.783 17490 10732 1 18 . 1 1 29 29 LEU CB C 319 45.029 45.029 44.524 0.505 17490 10733 1 18 . 1 1 29 29 LEU H H 319 8.365 8.365 7.422 0.943 17490 10734 1 18 . 1 1 30 30 SER N N 320 117.220 117.220 115.827 1.393 17490 10735 1 18 . 1 1 30 30 SER HA H 320 4.475 4.475 4.430 0.045 17490 10736 1 18 . 1 1 30 30 SER C C 320 174.677 174.677 174.674 0.003 17490 10737 1 18 . 1 1 30 30 SER CA C 320 57.768 57.768 57.696 0.072 17490 10738 1 18 . 1 1 30 30 SER CB C 320 64.118 64.118 63.812 0.306 17490 10739 1 18 . 1 1 30 30 SER H H 320 8.652 8.652 8.323 0.329 17490 10740 1 18 . 1 1 31 31 ASP N N 321 121.514 121.514 119.636 1.878 17490 10741 1 18 . 1 1 31 31 ASP HA H 321 4.471 4.471 4.593 -0.122 17490 10742 1 18 . 1 1 31 31 ASP C C 321 176.811 176.811 176.232 0.579 17490 10743 1 18 . 1 1 31 31 ASP CA C 321 55.388 55.388 55.037 0.351 17490 10744 1 18 . 1 1 31 31 ASP CB C 321 40.060 40.060 40.870 -0.810 17490 10745 1 18 . 1 1 31 31 ASP H H 321 8.587 8.587 8.603 -0.016 17490 10746 1 18 . 1 1 32 32 LYS N N 322 117.990 117.990 119.529 -1.539 17490 10747 1 18 . 1 1 32 32 LYS HA H 322 4.331 4.331 4.464 -0.133 17490 10748 1 18 . 1 1 32 32 LYS C C 322 176.804 176.804 175.450 1.354 17490 10749 1 18 . 1 1 32 32 LYS CA C 322 55.545 55.545 55.774 -0.229 17490 10750 1 18 . 1 1 32 32 LYS CB C 322 31.942 31.942 32.922 -0.980 17490 10751 1 18 . 1 1 32 32 LYS H H 322 8.053 8.053 8.235 -0.182 17490 10752 1 18 . 1 1 33 33 VAL N N 323 119.570 119.570 116.494 3.076 17490 10753 1 18 . 1 1 33 33 VAL HA H 323 3.922 3.922 4.493 -0.571 17490 10754 1 18 . 1 1 33 33 VAL C C 323 173.362 173.362 175.418 -2.056 17490 10755 1 18 . 1 1 33 33 VAL CA C 323 63.294 63.294 60.606 2.688 17490 10756 1 18 . 1 1 33 33 VAL CB C 323 32.410 32.410 32.971 -0.561 17490 10757 1 18 . 1 1 33 33 VAL H H 323 7.333 7.333 7.648 -0.315 17490 10758 1 18 . 1 1 34 34 SER N N 324 118.908 118.908 115.123 3.785 17490 10759 1 18 . 1 1 34 34 SER HA H 324 5.104 5.104 4.838 0.266 17490 10760 1 18 . 1 1 34 34 SER CA C 324 55.114 55.114 56.023 -0.909 17490 10761 1 18 . 1 1 34 34 SER CB C 324 64.522 64.522 64.964 -0.442 17490 10762 1 18 . 1 1 34 34 SER H H 324 7.099 7.099 8.128 -1.029 17490 10763 1 18 . 1 1 35 35 PRO HA H 325 4.038 4.038 4.101 -0.063 17490 10764 1 18 . 1 1 35 35 PRO C C 325 178.107 178.107 178.377 -0.270 17490 10765 1 18 . 1 1 35 35 PRO CA C 325 66.275 66.275 65.632 0.643 17490 10766 1 18 . 1 1 35 35 PRO CB C 325 31.873 31.873 31.882 -0.009 17490 10767 1 18 . 1 1 36 36 SER N N 326 111.480 111.480 113.133 -1.653 17490 10768 1 18 . 1 1 36 36 SER HA H 326 4.179 4.179 4.258 -0.079 17490 10769 1 18 . 1 1 36 36 SER C C 326 176.897 176.897 176.712 0.185 17490 10770 1 18 . 1 1 36 36 SER CA C 326 61.731 61.731 61.155 0.576 17490 10771 1 18 . 1 1 36 36 SER CB C 326 62.211 62.211 62.552 -0.341 17490 10772 1 18 . 1 1 36 36 SER H H 326 8.172 8.172 8.472 -0.300 17490 10773 1 18 . 1 1 37 37 LEU N N 327 123.898 123.898 123.474 0.424 17490 10774 1 18 . 1 1 37 37 LEU HA H 327 4.311 4.311 4.037 0.274 17490 10775 1 18 . 1 1 37 37 LEU C C 327 180.292 180.292 178.955 1.337 17490 10776 1 18 . 1 1 37 37 LEU CA C 327 57.921 57.921 57.477 0.444 17490 10777 1 18 . 1 1 37 37 LEU CB C 327 42.694 42.694 41.594 1.100 17490 10778 1 18 . 1 1 37 37 LEU H H 327 7.751 7.751 7.235 0.516 17490 10779 1 18 . 1 1 38 38 ILE N N 328 119.411 119.411 119.532 -0.121 17490 10780 1 18 . 1 1 38 38 ILE HA H 328 3.627 3.627 3.657 -0.030 17490 10781 1 18 . 1 1 38 38 ILE C C 328 176.884 176.884 178.120 -1.236 17490 10782 1 18 . 1 1 38 38 ILE CA C 328 65.153 65.153 66.272 -1.119 17490 10783 1 18 . 1 1 38 38 ILE CB C 328 37.446 37.446 37.680 -0.234 17490 10784 1 18 . 1 1 38 38 ILE H H 328 7.636 7.636 7.566 0.070 17490 10785 1 18 . 1 1 39 39 CYS N N 329 120.430 120.430 117.538 2.892 17490 10786 1 18 . 1 1 39 39 CYS HA H 329 3.743 3.743 3.983 -0.240 17490 10787 1 18 . 1 1 39 39 CYS C C 329 176.205 176.205 177.283 -1.078 17490 10788 1 18 . 1 1 39 39 CYS CA C 329 63.564 63.564 62.964 0.600 17490 10789 1 18 . 1 1 39 39 CYS CB C 329 26.285 26.285 26.570 -0.285 17490 10790 1 18 . 1 1 39 39 CYS H H 329 8.640 8.640 7.736 0.904 17490 10791 1 18 . 1 1 40 40 GLN N N 330 118.263 118.263 119.416 -1.153 17490 10792 1 18 . 1 1 40 40 GLN HA H 330 4.099 4.099 4.023 0.076 17490 10793 1 18 . 1 1 40 40 GLN C C 330 177.445 177.445 178.824 -1.379 17490 10794 1 18 . 1 1 40 40 GLN CA C 330 59.496 59.496 58.581 0.915 17490 10795 1 18 . 1 1 40 40 GLN CB C 330 28.469 28.469 27.800 0.669 17490 10796 1 18 . 1 1 40 40 GLN H H 330 8.213 8.213 8.043 0.170 17490 10797 1 18 . 1 1 41 41 PHE N N 331 121.411 121.411 120.663 0.748 17490 10798 1 18 . 1 1 41 41 PHE HA H 331 4.661 4.661 4.230 0.431 17490 10799 1 18 . 1 1 41 41 PHE C C 331 177.475 177.475 177.424 0.051 17490 10800 1 18 . 1 1 41 41 PHE CA C 331 60.181 60.181 60.912 -0.731 17490 10801 1 18 . 1 1 41 41 PHE CB C 331 39.561 39.561 38.916 0.645 17490 10802 1 18 . 1 1 41 41 PHE H H 331 7.806 7.806 8.097 -0.291 17490 10803 1 18 . 1 1 42 42 LEU N N 332 119.016 119.016 119.354 -0.338 17490 10804 1 18 . 1 1 42 42 LEU HA H 332 3.508 3.508 3.630 -0.122 17490 10805 1 18 . 1 1 42 42 LEU C C 332 178.495 178.495 179.152 -0.657 17490 10806 1 18 . 1 1 42 42 LEU CA C 332 57.545 57.545 57.664 -0.119 17490 10807 1 18 . 1 1 42 42 LEU CB C 332 40.880 40.880 41.536 -0.656 17490 10808 1 18 . 1 1 42 42 LEU H H 332 8.436 8.436 7.859 0.577 17490 10809 1 18 . 1 1 43 43 GLN N N 333 116.210 116.210 117.232 -1.022 17490 10810 1 18 . 1 1 43 43 GLN HA H 333 4.590 4.590 4.253 0.337 17490 10811 1 18 . 1 1 43 43 GLN C C 333 178.499 178.499 178.641 -0.142 17490 10812 1 18 . 1 1 43 43 GLN CA C 333 58.875 58.875 58.429 0.446 17490 10813 1 18 . 1 1 43 43 GLN CB C 333 30.846 30.846 28.420 2.426 17490 10814 1 18 . 1 1 43 43 GLN H H 333 8.236 8.236 8.469 -0.233 17490 10815 1 18 . 1 1 44 44 GLU N N 334 117.050 117.050 119.756 -2.706 17490 10816 1 18 . 1 1 44 44 GLU HA H 334 4.116 4.116 4.168 -0.052 17490 10817 1 18 . 1 1 44 44 GLU C C 334 177.407 177.407 178.137 -0.730 17490 10818 1 18 . 1 1 44 44 GLU CA C 334 58.756 58.756 58.969 -0.213 17490 10819 1 18 . 1 1 44 44 GLU CB C 334 30.518 30.518 29.724 0.794 17490 10820 1 18 . 1 1 44 44 GLU H H 334 8.926 8.926 8.211 0.715 17490 10821 1 18 . 1 1 45 45 GLU N N 335 114.950 114.950 116.936 -1.986 17490 10822 1 18 . 1 1 45 45 GLU HA H 335 4.354 4.354 4.302 0.052 17490 10823 1 18 . 1 1 45 45 GLU C C 335 176.873 176.873 178.258 -1.385 17490 10824 1 18 . 1 1 45 45 GLU CA C 335 57.018 57.018 57.168 -0.150 17490 10825 1 18 . 1 1 45 45 GLU CB C 335 29.537 29.537 31.263 -1.726 17490 10826 1 18 . 1 1 45 45 GLU H H 335 8.054 8.054 7.823 0.231 17490 10827 1 18 . 1 1 46 46 ILE N N 336 115.649 115.649 117.417 -1.768 17490 10828 1 18 . 1 1 46 46 ILE HA H 336 3.895 3.895 4.139 -0.244 17490 10829 1 18 . 1 1 46 46 ILE C C 336 175.873 175.873 175.781 0.092 17490 10830 1 18 . 1 1 46 46 ILE CA C 336 58.097 58.097 60.139 -2.042 17490 10831 1 18 . 1 1 46 46 ILE CB C 336 35.077 35.077 37.098 -2.021 17490 10832 1 18 . 1 1 46 46 ILE H H 336 6.749 6.749 7.478 -0.729 17490 10833 1 18 . 1 1 47 47 HIS N N 337 111.685 111.685 115.900 -4.215 17490 10834 1 18 . 1 1 47 47 HIS HA H 337 4.520 4.520 4.313 0.207 17490 10835 1 18 . 1 1 47 47 HIS C C 337 174.787 174.787 173.999 0.788 17490 10836 1 18 . 1 1 47 47 HIS CA C 337 56.387 56.387 56.891 -0.504 17490 10837 1 18 . 1 1 47 47 HIS CB C 337 24.947 24.947 27.837 -2.890 17490 10838 1 18 . 1 1 47 47 HIS H H 337 6.652 6.652 7.682 -1.030 17490 10839 1 18 . 1 1 48 48 ILE N N 338 118.069 118.069 119.915 -1.846 17490 10840 1 18 . 1 1 48 48 ILE HA H 338 4.433 4.433 3.885 0.548 17490 10841 1 18 . 1 1 48 48 ILE C C 338 175.031 175.031 174.927 0.104 17490 10842 1 18 . 1 1 48 48 ILE CA C 338 60.737 60.737 63.111 -2.374 17490 10843 1 18 . 1 1 48 48 ILE CB C 338 38.861 38.861 37.979 0.882 17490 10844 1 18 . 1 1 48 48 ILE H H 338 7.963 7.963 7.448 0.515 17490 10845 1 18 . 1 1 49 49 ASN N N 339 123.991 123.991 124.782 -0.791 17490 10846 1 18 . 1 1 49 49 ASN HA H 339 4.691 4.691 4.811 -0.120 17490 10847 1 18 . 1 1 49 49 ASN C C 339 176.381 176.381 175.811 0.570 17490 10848 1 18 . 1 1 49 49 ASN CA C 339 53.296 53.296 51.904 1.392 17490 10849 1 18 . 1 1 49 49 ASN CB C 339 40.570 40.570 39.324 1.246 17490 10850 1 18 . 1 1 49 49 ASN H H 339 9.222 9.222 7.673 1.549 17490 10851 1 18 . 1 1 50 50 GLU N N 340 125.549 125.549 116.986 8.563 17490 10852 1 18 . 1 1 50 50 GLU HA H 340 3.792 3.792 4.014 -0.222 17490 10853 1 18 . 1 1 50 50 GLU C C 340 177.988 177.988 177.044 0.944 17490 10854 1 18 . 1 1 50 50 GLU CA C 340 59.807 59.807 59.006 0.801 17490 10855 1 18 . 1 1 50 50 GLU CB C 340 29.143 29.143 29.454 -0.311 17490 10856 1 18 . 1 1 50 50 GLU H H 340 8.971 8.971 8.786 0.185 17490 10857 1 18 . 1 1 51 51 LYS N N 341 116.019 116.019 116.574 -0.555 17490 10858 1 18 . 1 1 51 51 LYS HA H 341 4.117 4.117 4.341 -0.224 17490 10859 1 18 . 1 1 51 51 LYS C C 341 177.283 177.283 178.183 -0.900 17490 10860 1 18 . 1 1 51 51 LYS CA C 341 57.718 57.718 57.986 -0.268 17490 10861 1 18 . 1 1 51 51 LYS CB C 341 31.650 31.650 33.053 -1.403 17490 10862 1 18 . 1 1 51 51 LYS H H 341 8.424 8.424 7.899 0.525 17490 10863 1 18 . 1 1 52 52 ASP N N 342 117.576 117.576 120.236 -2.660 17490 10864 1 18 . 1 1 52 52 ASP HA H 342 4.444 4.444 4.709 -0.265 17490 10865 1 18 . 1 1 52 52 ASP C C 342 175.454 175.454 175.681 -0.227 17490 10866 1 18 . 1 1 52 52 ASP CA C 342 56.002 56.002 56.915 -0.913 17490 10867 1 18 . 1 1 52 52 ASP CB C 342 41.937 41.937 43.170 -1.233 17490 10868 1 18 . 1 1 52 52 ASP H H 342 7.908 7.908 8.732 -0.824 17490 10869 1 18 . 1 1 53 53 ILE N N 343 120.515 120.515 119.050 1.465 17490 10870 1 18 . 1 1 53 53 ILE HA H 343 3.875 3.875 4.395 -0.520 17490 10871 1 18 . 1 1 53 53 ILE C C 343 174.966 174.966 174.529 0.437 17490 10872 1 18 . 1 1 53 53 ILE CA C 343 61.101 61.101 59.785 1.316 17490 10873 1 18 . 1 1 53 53 ILE CB C 343 39.931 39.931 40.163 -0.232 17490 10874 1 18 . 1 1 53 53 ILE H H 343 7.480 7.480 7.933 -0.453 17490 10875 1 18 . 1 1 54 54 ARG N N 344 125.353 125.353 125.844 -0.491 17490 10876 1 18 . 1 1 54 54 ARG HA H 344 4.291 4.291 4.261 0.030 17490 10877 1 18 . 1 1 54 54 ARG C C 344 176.642 176.642 176.387 0.255 17490 10878 1 18 . 1 1 54 54 ARG CA C 344 57.550 57.550 57.906 -0.356 17490 10879 1 18 . 1 1 54 54 ARG CB C 344 30.848 30.848 31.652 -0.804 17490 10880 1 18 . 1 1 54 54 ARG H H 344 9.063 9.063 8.913 0.150 17490 10881 1 18 . 1 1 55 55 LYS N N 345 116.212 116.212 117.229 -1.017 17490 10882 1 18 . 1 1 55 55 LYS HA H 345 4.417 4.417 4.505 -0.088 17490 10883 1 18 . 1 1 55 55 LYS C C 345 173.004 173.004 174.016 -1.012 17490 10884 1 18 . 1 1 55 55 LYS CA C 345 55.873 55.873 55.682 0.191 17490 10885 1 18 . 1 1 55 55 LYS CB C 345 36.582 36.582 36.781 -0.199 17490 10886 1 18 . 1 1 55 55 LYS H H 345 7.569 7.569 7.578 -0.009 17490 10887 1 18 . 1 1 56 56 ILE N N 346 122.685 122.685 123.253 -0.568 17490 10888 1 18 . 1 1 56 56 ILE HA H 346 4.731 4.731 5.239 -0.508 17490 10889 1 18 . 1 1 56 56 ILE C C 346 174.163 174.163 173.679 0.484 17490 10890 1 18 . 1 1 56 56 ILE CA C 346 60.843 60.843 59.280 1.563 17490 10891 1 18 . 1 1 56 56 ILE CB C 346 40.816 40.816 40.578 0.238 17490 10892 1 18 . 1 1 56 56 ILE H H 346 8.229 8.229 8.347 -0.118 17490 10893 1 18 . 1 1 57 57 LEU N N 347 126.095 126.095 127.796 -1.701 17490 10894 1 18 . 1 1 57 57 LEU HA H 347 4.775 4.775 5.107 -0.332 17490 10895 1 18 . 1 1 57 57 LEU C C 347 175.764 175.764 175.085 0.679 17490 10896 1 18 . 1 1 57 57 LEU CA C 347 52.746 52.746 53.606 -0.861 17490 10897 1 18 . 1 1 57 57 LEU CB C 347 45.364 45.364 45.832 -0.468 17490 10898 1 18 . 1 1 57 57 LEU H H 347 9.279 9.279 8.701 0.578 17490 10899 1 18 . 1 1 58 58 LEU N N 348 122.946 122.946 122.395 0.551 17490 10900 1 18 . 1 1 58 58 LEU HA H 348 4.338 4.338 4.587 -0.249 17490 10901 1 18 . 1 1 58 58 LEU C C 348 176.476 176.476 176.270 0.206 17490 10902 1 18 . 1 1 58 58 LEU CA C 348 55.221 55.221 54.085 1.136 17490 10903 1 18 . 1 1 58 58 LEU CB C 348 41.496 41.496 42.520 -1.024 17490 10904 1 18 . 1 1 58 58 LEU H H 348 8.925 8.925 9.411 -0.486 17490 10905 1 18 . 1 1 59 59 VAL N N 349 123.378 123.378 125.562 -2.184 17490 10906 1 18 . 1 1 59 59 VAL HA H 349 4.385 4.385 4.415 -0.030 17490 10907 1 18 . 1 1 59 59 VAL C C 349 176.335 176.335 175.332 1.003 17490 10908 1 18 . 1 1 59 59 VAL CA C 349 59.595 59.595 61.523 -1.928 17490 10909 1 18 . 1 1 59 59 VAL CB C 349 31.100 31.100 30.298 0.802 17490 10910 1 18 . 1 1 59 59 VAL H H 349 8.637 8.637 8.441 0.196 17490 10911 1 18 . 1 1 60 60 SER N N 350 124.152 124.152 119.577 4.575 17490 10912 1 18 . 1 1 60 60 SER HA H 350 3.907 3.907 4.434 -0.527 17490 10913 1 18 . 1 1 60 60 SER C C 350 177.518 177.518 174.095 3.423 17490 10914 1 18 . 1 1 60 60 SER CA C 350 62.261 62.261 59.198 3.063 17490 10915 1 18 . 1 1 60 60 SER CB C 350 62.301 62.301 63.362 -1.062 17490 10916 1 18 . 1 1 60 60 SER H H 350 8.755 8.755 8.351 0.404 17490 10917 1 18 . 1 1 61 61 ASP N N 351 119.224 119.224 119.403 -0.179 17490 10918 1 18 . 1 1 61 61 ASP HA H 351 3.964 3.964 4.742 -0.778 17490 10919 1 18 . 1 1 61 61 ASP C C 351 174.721 174.721 175.286 -0.565 17490 10920 1 18 . 1 1 61 61 ASP CA C 351 56.162 56.162 54.172 1.990 17490 10921 1 18 . 1 1 61 61 ASP CB C 351 40.102 40.102 41.013 -0.911 17490 10922 1 18 . 1 1 61 61 ASP H H 351 9.011 9.011 8.188 0.823 17490 10923 1 18 . 1 1 62 62 PHE N N 352 110.179 110.179 113.735 -3.556 17490 10924 1 18 . 1 1 62 62 PHE HA H 352 3.983 3.983 4.531 -0.548 17490 10925 1 18 . 1 1 62 62 PHE C C 352 173.268 173.268 173.293 -0.025 17490 10926 1 18 . 1 1 62 62 PHE CA C 352 56.221 56.221 57.376 -1.155 17490 10927 1 18 . 1 1 62 62 PHE CB C 352 39.789 39.789 38.999 0.790 17490 10928 1 18 . 1 1 62 62 PHE H H 352 6.702 6.702 7.297 -0.595 17490 10929 1 18 . 1 1 63 63 ASN N N 353 114.980 114.980 117.603 -2.623 17490 10930 1 18 . 1 1 63 63 ASN HA H 353 4.665 4.665 4.308 0.357 17490 10931 1 18 . 1 1 63 63 ASN C C 353 174.360 174.360 173.706 0.654 17490 10932 1 18 . 1 1 63 63 ASN CA C 353 54.158 54.158 54.034 0.124 17490 10933 1 18 . 1 1 63 63 ASN CB C 353 37.889 37.889 37.781 0.108 17490 10934 1 18 . 1 1 63 63 ASN H H 353 7.708 7.708 8.412 -0.704 17490 10935 1 18 . 1 1 64 64 GLY N N 354 102.117 102.117 102.964 -0.847 17490 10936 1 18 . 1 1 64 64 GLY C C 354 173.093 173.093 171.672 1.421 17490 10937 1 18 . 1 1 64 64 GLY CA C 354 45.413 45.413 43.669 1.744 17490 10938 1 18 . 1 1 64 64 GLY H H 354 7.722 7.722 7.425 0.297 17490 10939 1 18 . 1 1 65 65 ALA N N 355 120.262 120.262 120.191 0.071 17490 10940 1 18 . 1 1 65 65 ALA HA H 355 5.055 5.055 5.022 0.033 17490 10941 1 18 . 1 1 65 65 ALA C C 355 174.731 174.731 174.612 0.119 17490 10942 1 18 . 1 1 65 65 ALA CA C 355 51.429 51.429 50.890 0.539 17490 10943 1 18 . 1 1 65 65 ALA CB C 355 22.924 22.924 22.753 0.171 17490 10944 1 18 . 1 1 65 65 ALA H H 355 8.785 8.785 8.793 -0.008 17490 10945 1 18 . 1 1 66 66 ILE N N 356 121.244 121.244 121.798 -0.554 17490 10946 1 18 . 1 1 66 66 ILE HA H 356 4.711 4.711 5.065 -0.354 17490 10947 1 18 . 1 1 66 66 ILE C C 356 174.154 174.154 173.609 0.545 17490 10948 1 18 . 1 1 66 66 ILE CA C 356 60.570 60.570 59.536 1.034 17490 10949 1 18 . 1 1 66 66 ILE CB C 356 41.943 41.943 40.815 1.128 17490 10950 1 18 . 1 1 66 66 ILE H H 356 9.390 9.390 8.490 0.900 17490 10951 1 18 . 1 1 67 67 ILE N N 357 127.255 127.255 129.355 -2.100 17490 10952 1 18 . 1 1 67 67 ILE HA H 357 4.433 4.433 4.865 -0.432 17490 10953 1 18 . 1 1 67 67 ILE C C 357 174.004 174.004 174.557 -0.553 17490 10954 1 18 . 1 1 67 67 ILE CA C 357 59.826 59.826 60.223 -0.397 17490 10955 1 18 . 1 1 67 67 ILE CB C 357 38.965 38.965 42.650 -3.685 17490 10956 1 18 . 1 1 67 67 ILE H H 357 9.291 9.291 8.773 0.518 17490 10957 1 18 . 1 1 68 68 ILE N N 358 124.623 124.623 126.840 -2.217 17490 10958 1 18 . 1 1 68 68 ILE HA H 358 4.293 4.293 4.467 -0.174 17490 10959 1 18 . 1 1 68 68 ILE C C 358 176.052 176.052 175.915 0.137 17490 10960 1 18 . 1 1 68 68 ILE CA C 358 61.079 61.079 60.574 0.505 17490 10961 1 18 . 1 1 68 68 ILE CB C 358 38.373 38.373 37.524 0.849 17490 10962 1 18 . 1 1 68 68 ILE H H 358 8.681 8.681 8.337 0.344 17490 10963 1 18 . 1 1 69 69 PHE N N 359 126.100 126.100 126.087 0.013 17490 10964 1 18 . 1 1 69 69 PHE HA H 359 5.130 5.130 4.299 0.831 17490 10965 1 18 . 1 1 69 69 PHE C C 359 175.355 175.355 177.275 -1.920 17490 10966 1 18 . 1 1 69 69 PHE CA C 359 58.156 58.156 62.763 -4.606 17490 10967 1 18 . 1 1 69 69 PHE CB C 359 41.592 41.592 39.435 2.157 17490 10968 1 18 . 1 1 69 69 PHE H H 359 9.086 9.086 9.047 0.039 17490 10969 1 18 . 1 1 70 70 ARG N N 360 115.935 115.935 113.436 2.499 17490 10970 1 18 . 1 1 70 70 ARG HA H 360 4.068 4.068 4.443 -0.375 17490 10971 1 18 . 1 1 70 70 ARG C C 360 175.099 175.099 174.171 0.928 17490 10972 1 18 . 1 1 70 70 ARG CA C 360 58.594 58.594 56.818 1.776 17490 10973 1 18 . 1 1 70 70 ARG CB C 360 30.664 30.664 33.126 -2.462 17490 10974 1 18 . 1 1 70 70 ARG H H 360 8.268 8.268 8.610 -0.342 17490 10975 1 18 . 1 1 71 71 ASP N N 361 113.892 113.892 116.407 -2.515 17490 10976 1 18 . 1 1 71 71 ASP HA H 361 4.880 4.880 4.879 0.001 17490 10977 1 18 . 1 1 71 71 ASP C C 361 176.087 176.087 175.596 0.491 17490 10978 1 18 . 1 1 71 71 ASP CA C 361 53.329 53.329 52.696 0.633 17490 10979 1 18 . 1 1 71 71 ASP CB C 361 44.131 44.131 43.449 0.682 17490 10980 1 18 . 1 1 71 71 ASP H H 361 7.673 7.673 7.709 -0.036 17490 10981 1 18 . 1 1 72 72 SER N N 362 118.590 118.590 117.412 1.178 17490 10982 1 18 . 1 1 72 72 SER HA H 362 4.310 4.310 4.546 -0.236 17490 10983 1 18 . 1 1 72 72 SER C C 362 176.600 176.600 176.363 0.237 17490 10984 1 18 . 1 1 72 72 SER CA C 362 60.739 60.739 61.128 -0.389 17490 10985 1 18 . 1 1 72 72 SER CB C 362 62.872 62.872 63.622 -0.750 17490 10986 1 18 . 1 1 72 72 SER H H 362 9.103 9.103 8.702 0.401 17490 10987 1 18 . 1 1 73 73 LYS N N 363 125.872 125.872 122.154 3.718 17490 10988 1 18 . 1 1 73 73 LYS HA H 363 4.134 4.134 4.015 0.119 17490 10989 1 18 . 1 1 73 73 LYS C C 363 179.386 179.386 178.890 0.496 17490 10990 1 18 . 1 1 73 73 LYS CA C 363 59.283 59.283 58.998 0.285 17490 10991 1 18 . 1 1 73 73 LYS CB C 363 31.491 31.491 32.384 -0.893 17490 10992 1 18 . 1 1 73 73 LYS H H 363 8.332 8.332 7.959 0.373 17490 10993 1 18 . 1 1 74 74 PHE N N 364 123.145 123.145 120.222 2.923 17490 10994 1 18 . 1 1 74 74 PHE HA H 364 3.968 3.968 4.176 -0.208 17490 10995 1 18 . 1 1 74 74 PHE C C 364 177.819 177.819 176.723 1.096 17490 10996 1 18 . 1 1 74 74 PHE CA C 364 61.588 61.588 60.530 1.058 17490 10997 1 18 . 1 1 74 74 PHE CB C 364 39.963 39.963 39.226 0.737 17490 10998 1 18 . 1 1 74 74 PHE H H 364 8.482 8.482 8.693 -0.211 17490 10999 1 18 . 1 1 75 75 ALA N N 365 119.451 119.451 121.964 -2.513 17490 11000 1 18 . 1 1 75 75 ALA HA H 365 3.396 3.396 3.789 -0.393 17490 11001 1 18 . 1 1 75 75 ALA C C 365 178.100 178.100 179.173 -1.073 17490 11002 1 18 . 1 1 75 75 ALA CA C 365 55.584 55.584 55.181 0.403 17490 11003 1 18 . 1 1 75 75 ALA CB C 365 18.265 18.265 17.910 0.354 17490 11004 1 18 . 1 1 75 75 ALA H H 365 7.835 7.835 8.520 -0.685 17490 11005 1 18 . 1 1 76 76 ALA N N 366 117.626 117.626 120.649 -3.023 17490 11006 1 18 . 1 1 76 76 ALA HA H 366 4.033 4.033 4.085 -0.052 17490 11007 1 18 . 1 1 76 76 ALA C C 366 180.569 180.569 179.222 1.347 17490 11008 1 18 . 1 1 76 76 ALA CA C 366 54.996 54.996 54.835 0.161 17490 11009 1 18 . 1 1 76 76 ALA CB C 366 18.040 18.040 18.238 -0.198 17490 11010 1 18 . 1 1 76 76 ALA H H 366 7.680 7.680 7.746 -0.066 17490 11011 1 18 . 1 1 77 77 LYS N N 367 118.273 118.273 119.401 -1.128 17490 11012 1 18 . 1 1 77 77 LYS HA H 367 3.998 3.998 3.965 0.033 17490 11013 1 18 . 1 1 77 77 LYS C C 367 178.964 178.964 178.387 0.577 17490 11014 1 18 . 1 1 77 77 LYS CA C 367 58.803 58.803 58.952 -0.148 17490 11015 1 18 . 1 1 77 77 LYS CB C 367 32.106 32.106 32.349 -0.243 17490 11016 1 18 . 1 1 77 77 LYS H H 367 7.302 7.302 7.729 -0.427 17490 11017 1 18 . 1 1 78 78 MET N N 368 117.578 117.578 118.995 -1.417 17490 11018 1 18 . 1 1 78 78 MET HA H 368 4.273 4.273 3.964 0.309 17490 11019 1 18 . 1 1 78 78 MET C C 368 178.167 178.167 177.740 0.427 17490 11020 1 18 . 1 1 78 78 MET CA C 368 55.734 55.734 56.267 -0.533 17490 11021 1 18 . 1 1 78 78 MET CB C 368 32.382 32.382 31.534 0.848 17490 11022 1 18 . 1 1 78 78 MET H H 368 7.785 7.785 7.572 0.213 17490 11023 1 18 . 1 1 79 79 LEU N N 369 120.984 120.984 122.794 -1.810 17490 11024 1 18 . 1 1 79 79 LEU HA H 369 3.786 3.786 4.147 -0.361 17490 11025 1 18 . 1 1 79 79 LEU C C 369 179.060 179.060 178.932 0.128 17490 11026 1 18 . 1 1 79 79 LEU CA C 369 59.377 59.377 58.032 1.345 17490 11027 1 18 . 1 1 79 79 LEU CB C 369 42.354 42.354 41.946 0.408 17490 11028 1 18 . 1 1 79 79 LEU H H 369 8.197 8.197 7.862 0.335 17490 11029 1 18 . 1 1 80 80 MET N N 370 114.071 114.071 116.291 -2.220 17490 11030 1 18 . 1 1 80 80 MET HA H 370 4.277 4.277 4.155 0.122 17490 11031 1 18 . 1 1 80 80 MET C C 370 178.184 178.184 178.313 -0.129 17490 11032 1 18 . 1 1 80 80 MET CA C 370 57.627 57.627 57.666 -0.039 17490 11033 1 18 . 1 1 80 80 MET CB C 370 32.543 32.543 31.948 0.595 17490 11034 1 18 . 1 1 80 80 MET H H 370 7.018 7.018 7.847 -0.829 17490 11035 1 18 . 1 1 81 81 ILE N N 371 118.056 118.056 116.578 1.478 17490 11036 1 18 . 1 1 81 81 ILE HA H 371 3.885 3.885 3.959 -0.074 17490 11037 1 18 . 1 1 81 81 ILE C C 371 177.491 177.491 177.687 -0.196 17490 11038 1 18 . 1 1 81 81 ILE CA C 371 63.571 63.571 61.720 1.851 17490 11039 1 18 . 1 1 81 81 ILE CB C 371 38.716 38.716 37.397 1.319 17490 11040 1 18 . 1 1 81 81 ILE H H 371 7.615 7.615 7.570 0.045 17490 11041 1 18 . 1 1 82 82 LEU N N 372 116.858 116.858 119.515 -2.657 17490 11042 1 18 . 1 1 82 82 LEU HA H 372 4.100 4.100 4.167 -0.067 17490 11043 1 18 . 1 1 82 82 LEU C C 372 178.360 178.360 177.020 1.340 17490 11044 1 18 . 1 1 82 82 LEU CA C 372 55.929 55.929 57.206 -1.277 17490 11045 1 18 . 1 1 82 82 LEU CB C 372 42.309 42.309 43.053 -0.745 17490 11046 1 18 . 1 1 82 82 LEU H H 372 8.160 8.160 8.175 -0.015 17490 11047 1 18 . 1 1 83 83 ASN N N 373 117.015 117.015 115.347 1.668 17490 11048 1 18 . 1 1 83 83 ASN HA H 373 4.348 4.348 4.524 -0.176 17490 11049 1 18 . 1 1 83 83 ASN C C 373 175.671 175.671 175.663 0.008 17490 11050 1 18 . 1 1 83 83 ASN CA C 373 55.793 55.793 55.381 0.412 17490 11051 1 18 . 1 1 83 83 ASN CB C 373 38.434 38.434 38.936 -0.502 17490 11052 1 18 . 1 1 83 83 ASN H H 373 7.058 7.058 7.818 -0.760 17490 11053 1 18 . 1 1 84 84 GLY N N 374 116.878 116.878 105.906 10.972 17490 11054 1 18 . 1 1 84 84 GLY C C 374 174.602 174.602 174.395 0.207 17490 11055 1 18 . 1 1 84 84 GLY CA C 374 45.842 45.842 45.614 0.228 17490 11056 1 18 . 1 1 84 84 GLY H H 374 9.053 9.053 8.268 0.785 17490 11057 1 18 . 1 1 85 85 SER N N 375 116.615 116.615 115.080 1.535 17490 11058 1 18 . 1 1 85 85 SER HA H 375 4.407 4.407 4.760 -0.353 17490 11059 1 18 . 1 1 85 85 SER C C 375 171.580 171.580 173.340 -1.760 17490 11060 1 18 . 1 1 85 85 SER CA C 375 59.280 59.280 57.448 1.832 17490 11061 1 18 . 1 1 85 85 SER CB C 375 64.303 64.303 65.491 -1.188 17490 11062 1 18 . 1 1 85 85 SER H H 375 7.666 7.666 7.907 -0.241 17490 11063 1 18 . 1 1 86 86 GLN N N 376 117.824 117.824 120.847 -3.023 17490 11064 1 18 . 1 1 86 86 GLN HA H 376 4.893 4.893 5.089 -0.196 17490 11065 1 18 . 1 1 86 86 GLN C C 376 175.033 175.033 175.135 -0.102 17490 11066 1 18 . 1 1 86 86 GLN CA C 376 54.885 54.885 55.125 -0.240 17490 11067 1 18 . 1 1 86 86 GLN CB C 376 30.733 30.733 30.239 0.494 17490 11068 1 18 . 1 1 86 86 GLN H H 376 8.381 8.381 8.550 -0.170 17490 11069 1 18 . 1 1 87 87 PHE N N 377 124.095 124.095 125.998 -1.903 17490 11070 1 18 . 1 1 87 87 PHE HA H 377 4.472 4.472 4.572 -0.100 17490 11071 1 18 . 1 1 87 87 PHE C C 377 174.760 174.760 173.910 0.850 17490 11072 1 18 . 1 1 87 87 PHE CA C 377 56.009 56.009 56.954 -0.945 17490 11073 1 18 . 1 1 87 87 PHE CB C 377 41.519 41.519 41.359 0.160 17490 11074 1 18 . 1 1 87 87 PHE H H 377 8.974 8.974 9.225 -0.251 17490 11075 1 18 . 1 1 88 88 GLN N N 378 126.108 126.108 123.011 3.097 17490 11076 1 18 . 1 1 88 88 GLN HA H 378 3.505 3.505 3.832 -0.327 17490 11077 1 18 . 1 1 88 88 GLN C C 378 176.162 176.162 175.805 0.357 17490 11078 1 18 . 1 1 88 88 GLN CA C 378 56.570 56.570 56.075 0.495 17490 11079 1 18 . 1 1 88 88 GLN CB C 378 26.070 26.070 26.714 -0.644 17490 11080 1 18 . 1 1 88 88 GLN H H 378 9.139 9.139 8.385 0.754 17490 11081 1 18 . 1 1 89 89 GLY N N 379 103.132 103.132 105.428 -2.296 17490 11082 1 18 . 1 1 89 89 GLY C C 379 173.587 173.587 173.715 -0.128 17490 11083 1 18 . 1 1 89 89 GLY CA C 379 45.382 45.382 45.511 -0.129 17490 11084 1 18 . 1 1 89 89 GLY H H 379 8.580 8.580 8.446 0.134 17490 11085 1 18 . 1 1 90 90 LYS N N 380 119.783 119.783 118.714 1.069 17490 11086 1 18 . 1 1 90 90 LYS HA H 380 4.697 4.697 4.691 0.006 17490 11087 1 18 . 1 1 90 90 LYS C C 380 174.500 174.500 174.377 0.123 17490 11088 1 18 . 1 1 90 90 LYS CA C 380 54.019 54.019 55.007 -0.988 17490 11089 1 18 . 1 1 90 90 LYS CB C 380 35.919 35.919 35.317 0.602 17490 11090 1 18 . 1 1 90 90 LYS H H 380 7.457 7.457 7.852 -0.395 17490 11091 1 18 . 1 1 91 91 VAL N N 381 121.517 121.517 124.454 -2.937 17490 11092 1 18 . 1 1 91 91 VAL HA H 381 4.294 4.294 5.181 -0.887 17490 11093 1 18 . 1 1 91 91 VAL C C 381 176.729 176.729 175.681 1.048 17490 11094 1 18 . 1 1 91 91 VAL CA C 381 63.176 63.176 60.821 2.355 17490 11095 1 18 . 1 1 91 91 VAL CB C 381 32.073 32.073 33.124 -1.051 17490 11096 1 18 . 1 1 91 91 VAL H H 381 8.256 8.256 8.381 -0.125 17490 11097 1 18 . 1 1 92 92 ILE N N 382 124.746 124.746 124.211 0.535 17490 11098 1 18 . 1 1 92 92 ILE HA H 382 4.533 4.533 4.354 0.179 17490 11099 1 18 . 1 1 92 92 ILE C C 382 173.501 173.501 174.271 -0.770 17490 11100 1 18 . 1 1 92 92 ILE CA C 382 59.249 59.249 59.517 -0.268 17490 11101 1 18 . 1 1 92 92 ILE CB C 382 41.995 41.995 39.728 2.267 17490 11102 1 18 . 1 1 92 92 ILE H H 382 8.788 8.788 8.704 0.084 17490 11103 1 18 . 1 1 93 93 ARG N N 383 119.723 119.723 122.765 -3.042 17490 11104 1 18 . 1 1 93 93 ARG HA H 383 4.608 4.608 4.901 -0.293 17490 11105 1 18 . 1 1 93 93 ARG C C 383 173.979 173.979 174.147 -0.168 17490 11106 1 18 . 1 1 93 93 ARG CA C 383 53.178 53.178 54.161 -0.983 17490 11107 1 18 . 1 1 93 93 ARG CB C 383 31.724 31.724 33.299 -1.575 17490 11108 1 18 . 1 1 93 93 ARG H H 383 8.500 8.500 8.172 0.328 17490 11109 1 18 . 1 1 94 94 SER N N 384 110.386 110.386 113.979 -3.593 17490 11110 1 18 . 1 1 94 94 SER HA H 384 5.685 5.685 4.914 0.771 17490 11111 1 18 . 1 1 94 94 SER C C 384 174.791 174.791 172.989 1.802 17490 11112 1 18 . 1 1 94 94 SER CA C 384 54.419 54.419 57.000 -2.581 17490 11113 1 18 . 1 1 94 94 SER CB C 384 67.147 67.147 64.819 2.328 17490 11114 1 18 . 1 1 94 94 SER H H 384 7.700 7.700 8.544 -0.844 17490 11115 1 18 . 1 1 95 95 GLY N N 385 106.738 106.738 107.652 -0.914 17490 11116 1 18 . 1 1 95 95 GLY C C 385 171.619 171.619 172.252 -0.633 17490 11117 1 18 . 1 1 95 95 GLY CA C 385 45.904 45.904 46.175 -0.271 17490 11118 1 18 . 1 1 95 95 GLY H H 385 8.360 8.360 8.419 -0.059 17490 11119 1 18 . 1 1 96 96 THR N N 386 111.493 111.493 111.242 0.251 17490 11120 1 18 . 1 1 96 96 THR HA H 386 4.604 4.604 4.716 -0.112 17490 11121 1 18 . 1 1 96 96 THR C C 386 175.600 175.600 175.712 -0.112 17490 11122 1 18 . 1 1 96 96 THR CA C 386 60.901 60.901 60.635 0.266 17490 11123 1 18 . 1 1 96 96 THR CB C 386 71.709 71.709 71.289 0.420 17490 11124 1 18 . 1 1 96 96 THR H H 386 9.274 9.274 8.139 1.135 17490 11125 1 18 . 1 1 97 97 ILE N N 387 121.293 121.293 118.275 3.018 17490 11126 1 18 . 1 1 97 97 ILE HA H 387 3.881 3.881 3.877 0.004 17490 11127 1 18 . 1 1 97 97 ILE C C 387 178.109 178.109 177.080 1.029 17490 11128 1 18 . 1 1 97 97 ILE CA C 387 65.826 65.826 62.538 3.288 17490 11129 1 18 . 1 1 97 97 ILE CB C 387 37.717 37.717 36.681 1.036 17490 11130 1 18 . 1 1 97 97 ILE H H 387 9.339 9.339 8.194 1.145 17490 11131 1 18 . 1 1 98 98 ASN N N 388 117.358 117.358 119.325 -1.967 17490 11132 1 18 . 1 1 98 98 ASN HA H 388 4.224 4.224 4.313 -0.089 17490 11133 1 18 . 1 1 98 98 ASN C C 388 178.040 178.040 176.506 1.534 17490 11134 1 18 . 1 1 98 98 ASN CA C 388 56.205 56.205 56.661 -0.456 17490 11135 1 18 . 1 1 98 98 ASN CB C 388 37.719 37.719 38.531 -0.812 17490 11136 1 18 . 1 1 98 98 ASN H H 388 8.162 8.162 8.039 0.123 17490 11137 1 18 . 1 1 99 99 ASP N N 389 121.336 121.336 120.093 1.243 17490 11138 1 18 . 1 1 99 99 ASP HA H 389 4.236 4.236 4.198 0.038 17490 11139 1 18 . 1 1 99 99 ASP C C 389 177.813 177.813 177.728 0.085 17490 11140 1 18 . 1 1 99 99 ASP CA C 389 57.639 57.639 56.510 1.129 17490 11141 1 18 . 1 1 99 99 ASP CB C 389 40.497 40.497 40.668 -0.171 17490 11142 1 18 . 1 1 99 99 ASP H H 389 7.865 7.865 8.228 -0.363 17490 11143 1 18 . 1 1 100 100 MET N N 390 122.932 122.932 118.177 4.755 17490 11144 1 18 . 1 1 100 100 MET HA H 390 4.499 4.499 4.239 0.260 17490 11145 1 18 . 1 1 100 100 MET C C 390 178.081 178.081 177.652 0.429 17490 11146 1 18 . 1 1 100 100 MET CA C 390 58.402 58.402 58.550 -0.148 17490 11147 1 18 . 1 1 100 100 MET CB C 390 32.263 32.263 31.893 0.370 17490 11148 1 18 . 1 1 100 100 MET H H 390 7.874 7.874 7.287 0.587 17490 11149 1 18 . 1 1 101 101 LYS N N 391 118.764 118.764 119.725 -0.961 17490 11150 1 18 . 1 1 101 101 LYS HA H 391 3.484 3.484 4.131 -0.647 17490 11151 1 18 . 1 1 101 101 LYS C C 391 178.102 178.102 179.334 -1.232 17490 11152 1 18 . 1 1 101 101 LYS CA C 391 60.070 60.070 59.000 1.070 17490 11153 1 18 . 1 1 101 101 LYS CB C 391 32.468 32.468 31.719 0.749 17490 11154 1 18 . 1 1 101 101 LYS H H 391 7.994 7.994 7.954 0.040 17490 11155 1 18 . 1 1 102 102 ARG N N 392 118.974 118.974 120.070 -1.096 17490 11156 1 18 . 1 1 102 102 ARG HA H 392 3.971 3.971 4.095 -0.124 17490 11157 1 18 . 1 1 102 102 ARG C C 392 178.433 178.433 178.690 -0.257 17490 11158 1 18 . 1 1 102 102 ARG CA C 392 59.485 59.485 58.367 1.118 17490 11159 1 18 . 1 1 102 102 ARG CB C 392 30.282 30.282 29.604 0.678 17490 11160 1 18 . 1 1 102 102 ARG H H 392 8.088 8.088 7.899 0.189 17490 11161 1 18 . 1 1 103 103 TYR N N 393 119.904 119.904 120.134 -0.230 17490 11162 1 18 . 1 1 103 103 TYR HA H 393 4.017 4.017 4.215 -0.198 17490 11163 1 18 . 1 1 103 103 TYR C C 393 177.819 177.819 178.485 -0.666 17490 11164 1 18 . 1 1 103 103 TYR CA C 393 61.926 61.926 60.238 1.688 17490 11165 1 18 . 1 1 103 103 TYR CB C 393 39.373 39.373 37.672 1.701 17490 11166 1 18 . 1 1 103 103 TYR H H 393 8.058 8.058 7.883 0.175 17490 11167 1 18 . 1 1 104 104 TYR N N 394 119.418 119.418 119.767 -0.349 17490 11168 1 18 . 1 1 104 104 TYR HA H 394 4.167 4.167 4.102 0.065 17490 11169 1 18 . 1 1 104 104 TYR C C 394 177.920 177.920 177.498 0.422 17490 11170 1 18 . 1 1 104 104 TYR CA C 394 61.764 61.764 60.682 1.081 17490 11171 1 18 . 1 1 104 104 TYR CB C 394 39.162 39.162 38.119 1.043 17490 11172 1 18 . 1 1 104 104 TYR H H 394 7.846 7.846 8.764 -0.918 17490 11173 1 18 . 1 1 105 105 ASN N N 395 117.373 117.373 117.800 -0.427 17490 11174 1 18 . 1 1 105 105 ASN HA H 395 4.414 4.414 3.968 0.446 17490 11175 1 18 . 1 1 105 105 ASN C C 395 176.906 176.906 177.271 -0.365 17490 11176 1 18 . 1 1 105 105 ASN CA C 395 55.691 55.691 56.459 -0.767 17490 11177 1 18 . 1 1 105 105 ASN CB C 395 38.472 38.472 37.976 0.496 17490 11178 1 18 . 1 1 105 105 ASN H H 395 8.499 8.499 8.090 0.409 17490 11179 1 18 . 1 1 106 106 ASN N N 396 118.101 118.101 117.835 0.266 17490 11180 1 18 . 1 1 106 106 ASN HA H 396 4.531 4.531 4.549 -0.018 17490 11181 1 18 . 1 1 106 106 ASN C C 396 176.450 176.450 177.029 -0.579 17490 11182 1 18 . 1 1 106 106 ASN CA C 396 54.775 54.775 55.490 -0.715 17490 11183 1 18 . 1 1 106 106 ASN CB C 396 38.543 38.543 38.594 -0.051 17490 11184 1 18 . 1 1 106 106 ASN H H 396 8.081 8.081 8.143 -0.062 17490 11185 1 18 . 1 1 107 107 GLN N N 397 118.903 118.903 118.260 0.643 17490 11186 1 18 . 1 1 107 107 GLN HA H 397 3.977 3.977 4.162 -0.185 17490 11187 1 18 . 1 1 107 107 GLN C C 397 176.907 176.907 177.409 -0.502 17490 11188 1 18 . 1 1 107 107 GLN CA C 397 56.815 56.815 57.862 -1.047 17490 11189 1 18 . 1 1 107 107 GLN CB C 397 28.610 28.610 28.696 -0.086 17490 11190 1 18 . 1 1 107 107 GLN H H 397 7.772 7.772 7.342 0.430 17490 11191 1 18 . 1 1 108 108 GLN N N 398 118.101 118.101 117.968 0.133 17490 11192 1 18 . 1 1 108 108 GLN HA H 398 3.920 3.920 4.113 -0.193 17490 11193 1 18 . 1 1 108 108 GLN C C 398 176.321 176.321 176.579 -0.258 17490 11194 1 18 . 1 1 108 108 GLN CA C 398 56.554 56.554 57.275 -0.721 17490 11195 1 18 . 1 1 108 108 GLN CB C 398 28.650 28.650 29.190 -0.540 17490 11196 1 18 . 1 1 108 108 GLN H H 398 7.854 7.854 8.171 -0.317 17490 11197 1 19 . 1 1 3 3 LEU N N 293 125.082 125.082 123.478 1.604 17490 11198 1 19 . 1 1 3 3 LEU HA H 293 4.292 4.292 4.447 -0.155 17490 11199 1 19 . 1 1 3 3 LEU C C 293 177.442 177.442 177.279 0.163 17490 11200 1 19 . 1 1 3 3 LEU CA C 293 55.523 55.523 54.379 1.144 17490 11201 1 19 . 1 1 3 3 LEU CB C 293 42.516 42.516 43.188 -0.672 17490 11202 1 19 . 1 1 3 3 LEU H H 293 8.321 8.321 8.314 0.007 17490 11203 1 19 . 1 1 4 4 GLU N N 294 122.906 122.906 126.934 -4.028 17490 11204 1 19 . 1 1 4 4 GLU HA H 294 4.069 4.069 3.826 0.243 17490 11205 1 19 . 1 1 4 4 GLU C C 294 177.158 177.158 178.214 -1.056 17490 11206 1 19 . 1 1 4 4 GLU CA C 294 58.307 58.307 60.796 -2.489 17490 11207 1 19 . 1 1 4 4 GLU CB C 294 29.676 29.676 29.410 0.266 17490 11208 1 19 . 1 1 4 4 GLU H H 294 8.521 8.521 9.093 -0.572 17490 11209 1 19 . 1 1 5 5 ARG N N 295 120.270 120.270 116.332 3.938 17490 11210 1 19 . 1 1 5 5 ARG HA H 295 4.131 4.131 3.932 0.199 17490 11211 1 19 . 1 1 5 5 ARG C C 295 177.768 177.768 178.414 -0.646 17490 11212 1 19 . 1 1 5 5 ARG CA C 295 58.082 58.082 59.379 -1.297 17490 11213 1 19 . 1 1 5 5 ARG CB C 295 30.192 30.192 29.418 0.774 17490 11214 1 19 . 1 1 5 5 ARG H H 295 8.327 8.327 8.654 -0.327 17490 11215 1 19 . 1 1 6 6 ASN N N 296 118.639 118.639 118.070 0.569 17490 11216 1 19 . 1 1 6 6 ASN HA H 296 4.554 4.554 4.513 0.041 17490 11217 1 19 . 1 1 6 6 ASN C C 296 176.830 176.830 177.632 -0.802 17490 11218 1 19 . 1 1 6 6 ASN CA C 296 54.901 54.901 56.037 -1.136 17490 11219 1 19 . 1 1 6 6 ASN CB C 296 38.115 38.115 38.404 -0.289 17490 11220 1 19 . 1 1 6 6 ASN H H 296 8.257 8.257 7.921 0.336 17490 11221 1 19 . 1 1 7 7 GLU N N 297 123.935 123.935 120.544 3.391 17490 11222 1 19 . 1 1 7 7 GLU HA H 297 4.266 4.266 4.142 0.124 17490 11223 1 19 . 1 1 7 7 GLU C C 297 178.102 178.102 179.157 -1.055 17490 11224 1 19 . 1 1 7 7 GLU CA C 297 58.897 58.897 59.716 -0.819 17490 11225 1 19 . 1 1 7 7 GLU CB C 297 29.814 29.814 29.696 0.118 17490 11226 1 19 . 1 1 7 7 GLU H H 297 8.185 8.185 8.168 0.017 17490 11227 1 19 . 1 1 8 8 VAL N N 298 118.916 118.916 119.760 -0.844 17490 11228 1 19 . 1 1 8 8 VAL HA H 298 3.399 3.399 3.643 -0.244 17490 11229 1 19 . 1 1 8 8 VAL C C 298 177.131 177.131 177.958 -0.827 17490 11230 1 19 . 1 1 8 8 VAL CA C 298 67.619 67.619 66.650 0.970 17490 11231 1 19 . 1 1 8 8 VAL CB C 298 32.041 32.041 30.914 1.127 17490 11232 1 19 . 1 1 8 8 VAL H H 298 8.095 8.095 8.758 -0.663 17490 11233 1 19 . 1 1 9 9 LYS N N 299 117.791 117.791 120.494 -2.703 17490 11234 1 19 . 1 1 9 9 LYS HA H 299 3.804 3.804 4.042 -0.238 17490 11235 1 19 . 1 1 9 9 LYS C C 299 179.259 179.259 178.479 0.780 17490 11236 1 19 . 1 1 9 9 LYS CA C 299 59.806 59.806 59.718 0.088 17490 11237 1 19 . 1 1 9 9 LYS CB C 299 32.290 32.290 32.384 -0.094 17490 11238 1 19 . 1 1 9 9 LYS H H 299 7.771 7.771 7.922 -0.151 17490 11239 1 19 . 1 1 10 10 ARG N N 300 119.032 119.032 119.626 -0.594 17490 11240 1 19 . 1 1 10 10 ARG HA H 300 3.934 3.934 4.088 -0.154 17490 11241 1 19 . 1 1 10 10 ARG C C 300 179.680 179.680 179.049 0.631 17490 11242 1 19 . 1 1 10 10 ARG CA C 300 59.444 59.444 58.902 0.542 17490 11243 1 19 . 1 1 10 10 ARG CB C 300 30.190 30.190 30.006 0.184 17490 11244 1 19 . 1 1 10 10 ARG H H 300 7.834 7.834 8.137 -0.303 17490 11245 1 19 . 1 1 11 11 LEU N N 301 120.881 120.881 119.745 1.136 17490 11246 1 19 . 1 1 11 11 LEU HA H 301 3.890 3.890 4.139 -0.249 17490 11247 1 19 . 1 1 11 11 LEU C C 301 178.937 178.937 178.657 0.280 17490 11248 1 19 . 1 1 11 11 LEU CA C 301 58.067 58.067 57.206 0.861 17490 11249 1 19 . 1 1 11 11 LEU CB C 301 42.051 42.051 42.169 -0.118 17490 11250 1 19 . 1 1 11 11 LEU H H 301 8.147 8.147 8.107 0.040 17490 11251 1 19 . 1 1 12 12 LEU N N 302 116.294 116.294 118.605 -2.311 17490 11252 1 19 . 1 1 12 12 LEU HA H 302 3.874 3.874 3.983 -0.109 17490 11253 1 19 . 1 1 12 12 LEU C C 302 177.360 177.360 178.460 -1.100 17490 11254 1 19 . 1 1 12 12 LEU CA C 302 57.498 57.498 57.697 -0.199 17490 11255 1 19 . 1 1 12 12 LEU CB C 302 41.506 41.506 42.149 -0.643 17490 11256 1 19 . 1 1 12 12 LEU H H 302 8.331 8.331 7.793 0.538 17490 11257 1 19 . 1 1 13 13 ALA N N 303 117.998 117.998 118.266 -0.268 17490 11258 1 19 . 1 1 13 13 ALA HA H 303 4.480 4.480 4.347 0.133 17490 11259 1 19 . 1 1 13 13 ALA C C 303 177.554 177.554 177.409 0.145 17490 11260 1 19 . 1 1 13 13 ALA CA C 303 51.290 51.290 51.839 -0.549 17490 11261 1 19 . 1 1 13 13 ALA CB C 303 19.810 19.810 19.663 0.147 17490 11262 1 19 . 1 1 13 13 ALA H H 303 7.109 7.109 7.608 -0.499 17490 11263 1 19 . 1 1 14 14 SER N N 304 114.833 114.833 114.704 0.129 17490 11264 1 19 . 1 1 14 14 SER HA H 304 4.175 4.175 4.268 -0.093 17490 11265 1 19 . 1 1 14 14 SER C C 304 175.762 175.762 174.977 0.785 17490 11266 1 19 . 1 1 14 14 SER CA C 304 59.344 59.344 58.441 0.903 17490 11267 1 19 . 1 1 14 14 SER CB C 304 63.704 63.704 63.675 0.029 17490 11268 1 19 . 1 1 14 14 SER H H 304 7.265 7.265 7.523 -0.258 17490 11269 1 19 . 1 1 15 15 ARG N N 305 125.370 125.370 125.403 -0.033 17490 11270 1 19 . 1 1 15 15 ARG HA H 305 4.555 4.555 4.275 0.280 17490 11271 1 19 . 1 1 15 15 ARG C C 305 175.442 175.442 176.240 -0.798 17490 11272 1 19 . 1 1 15 15 ARG CA C 305 54.847 54.847 56.108 -1.261 17490 11273 1 19 . 1 1 15 15 ARG CB C 305 30.415 30.415 30.544 -0.129 17490 11274 1 19 . 1 1 15 15 ARG H H 305 8.872 8.872 8.622 0.250 17490 11275 1 19 . 1 1 16 16 ASN N N 306 120.536 120.536 121.234 -0.698 17490 11276 1 19 . 1 1 16 16 ASN HA H 306 4.774 4.774 4.638 0.136 17490 11277 1 19 . 1 1 16 16 ASN C C 306 175.146 175.146 175.426 -0.280 17490 11278 1 19 . 1 1 16 16 ASN CA C 306 52.434 52.434 53.650 -1.216 17490 11279 1 19 . 1 1 16 16 ASN CB C 306 38.294 38.294 37.969 0.325 17490 11280 1 19 . 1 1 16 16 ASN H H 306 8.367 8.367 7.681 0.686 17490 11281 1 19 . 1 1 17 17 SER N N 307 121.694 121.694 120.118 1.576 17490 11282 1 19 . 1 1 17 17 SER HA H 307 4.090 4.090 4.276 -0.186 17490 11283 1 19 . 1 1 17 17 SER C C 307 175.970 175.970 174.881 1.089 17490 11284 1 19 . 1 1 17 17 SER CA C 307 61.484 61.484 60.637 0.847 17490 11285 1 19 . 1 1 17 17 SER CB C 307 62.850 62.850 63.253 -0.403 17490 11286 1 19 . 1 1 17 17 SER H H 307 8.656 8.656 8.448 0.208 17490 11287 1 19 . 1 1 18 18 LYS N N 308 120.961 120.961 121.100 -0.139 17490 11288 1 19 . 1 1 18 18 LYS HA H 308 4.115 4.115 4.335 -0.220 17490 11289 1 19 . 1 1 18 18 LYS C C 308 178.999 178.999 177.511 1.488 17490 11290 1 19 . 1 1 18 18 LYS CA C 308 58.606 58.606 58.196 0.410 17490 11291 1 19 . 1 1 18 18 LYS CB C 308 31.614 31.614 31.905 -0.291 17490 11292 1 19 . 1 1 18 18 LYS H H 308 8.060 8.060 8.148 -0.088 17490 11293 1 19 . 1 1 19 19 GLU N N 309 118.377 118.377 119.317 -0.940 17490 11294 1 19 . 1 1 19 19 GLU HA H 309 4.198 4.198 4.189 0.009 17490 11295 1 19 . 1 1 19 19 GLU C C 309 178.136 178.136 178.141 -0.005 17490 11296 1 19 . 1 1 19 19 GLU CA C 309 57.939 57.939 58.928 -0.989 17490 11297 1 19 . 1 1 19 19 GLU CB C 309 30.115 30.115 29.779 0.336 17490 11298 1 19 . 1 1 19 19 GLU H H 309 7.520 7.520 7.462 0.058 17490 11299 1 19 . 1 1 20 20 LEU N N 310 118.101 118.101 117.012 1.089 17490 11300 1 19 . 1 1 20 20 LEU HA H 310 4.168 4.168 4.211 -0.043 17490 11301 1 19 . 1 1 20 20 LEU C C 310 179.112 179.112 177.918 1.194 17490 11302 1 19 . 1 1 20 20 LEU CA C 310 56.583 56.583 56.167 0.416 17490 11303 1 19 . 1 1 20 20 LEU CB C 310 41.611 41.611 41.359 0.252 17490 11304 1 19 . 1 1 20 20 LEU H H 310 7.741 7.741 7.439 0.302 17490 11305 1 19 . 1 1 21 21 GLU N N 311 116.130 116.130 117.588 -1.458 17490 11306 1 19 . 1 1 21 21 GLU HA H 311 4.342 4.342 4.253 0.089 17490 11307 1 19 . 1 1 21 21 GLU C C 311 176.928 176.928 178.430 -1.502 17490 11308 1 19 . 1 1 21 21 GLU CA C 311 58.216 58.216 57.907 0.309 17490 11309 1 19 . 1 1 21 21 GLU CB C 311 29.608 29.608 30.085 -0.477 17490 11310 1 19 . 1 1 21 21 GLU H H 311 7.747 7.747 7.321 0.426 17490 11311 1 19 . 1 1 22 22 THR N N 312 106.131 106.131 117.623 -11.492 17490 11312 1 19 . 1 1 22 22 THR HA H 312 4.182 4.182 4.208 -0.026 17490 11313 1 19 . 1 1 22 22 THR C C 312 172.032 172.032 172.971 -0.939 17490 11314 1 19 . 1 1 22 22 THR CA C 312 61.539 61.539 64.587 -3.047 17490 11315 1 19 . 1 1 22 22 THR CB C 312 69.426 69.426 68.309 1.117 17490 11316 1 19 . 1 1 22 22 THR H H 312 7.446 7.446 7.953 -0.507 17490 11317 1 19 . 1 1 23 23 LEU N N 313 120.178 120.178 116.299 3.879 17490 11318 1 19 . 1 1 23 23 LEU HA H 313 5.869 5.869 5.321 0.548 17490 11319 1 19 . 1 1 23 23 LEU C C 313 175.604 175.604 173.964 1.640 17490 11320 1 19 . 1 1 23 23 LEU CA C 313 52.838 52.838 53.882 -1.044 17490 11321 1 19 . 1 1 23 23 LEU CB C 313 46.851 46.851 45.883 0.968 17490 11322 1 19 . 1 1 23 23 LEU H H 313 7.538 7.538 7.134 0.404 17490 11323 1 19 . 1 1 24 24 ILE N N 314 113.990 113.990 111.384 2.606 17490 11324 1 19 . 1 1 24 24 ILE HA H 314 4.717 4.717 4.663 0.054 17490 11325 1 19 . 1 1 24 24 ILE C C 314 173.530 173.530 173.377 0.153 17490 11326 1 19 . 1 1 24 24 ILE CA C 314 59.368 59.368 59.108 0.260 17490 11327 1 19 . 1 1 24 24 ILE CB C 314 42.319 42.319 41.825 0.494 17490 11328 1 19 . 1 1 24 24 ILE H H 314 8.904 8.904 8.547 0.357 17490 11329 1 19 . 1 1 25 25 CYS N N 315 117.755 117.755 119.724 -1.969 17490 11330 1 19 . 1 1 25 25 CYS HA H 315 5.914 5.914 5.215 0.699 17490 11331 1 19 . 1 1 25 25 CYS C C 315 174.153 174.153 174.813 -0.660 17490 11332 1 19 . 1 1 25 25 CYS CA C 315 57.187 57.187 56.906 0.281 17490 11333 1 19 . 1 1 25 25 CYS CB C 315 31.754 31.754 27.889 3.865 17490 11334 1 19 . 1 1 25 25 CYS H H 315 9.021 9.021 8.823 0.198 17490 11335 1 19 . 1 1 26 26 LEU N N 316 119.952 119.952 124.853 -4.901 17490 11336 1 19 . 1 1 26 26 LEU HA H 316 5.363 5.363 5.095 0.268 17490 11337 1 19 . 1 1 26 26 LEU C C 316 176.015 176.015 176.686 -0.671 17490 11338 1 19 . 1 1 26 26 LEU CA C 316 53.072 53.072 55.052 -1.980 17490 11339 1 19 . 1 1 26 26 LEU CB C 316 45.891 45.891 42.818 3.073 17490 11340 1 19 . 1 1 26 26 LEU H H 316 8.778 8.778 9.193 -0.415 17490 11341 1 19 . 1 1 27 27 PHE N N 317 116.116 116.116 122.981 -6.865 17490 11342 1 19 . 1 1 27 27 PHE HA H 317 4.158 4.158 5.342 -1.184 17490 11343 1 19 . 1 1 27 27 PHE CA C 317 55.594 55.594 54.517 1.077 17490 11344 1 19 . 1 1 27 27 PHE CB C 317 37.765 37.765 40.549 -2.784 17490 11345 1 19 . 1 1 27 27 PHE H H 317 7.827 7.827 9.023 -1.196 17490 11346 1 19 . 1 1 28 28 PRO HA H 318 5.322 5.322 4.763 0.559 17490 11347 1 19 . 1 1 28 28 PRO C C 318 175.163 175.163 175.058 0.105 17490 11348 1 19 . 1 1 28 28 PRO CA C 318 61.657 61.657 62.409 -0.752 17490 11349 1 19 . 1 1 28 28 PRO CB C 318 34.356 34.356 31.297 3.059 17490 11350 1 19 . 1 1 29 29 LEU N N 319 120.206 120.206 120.442 -0.236 17490 11351 1 19 . 1 1 29 29 LEU HA H 319 4.674 4.674 4.607 0.067 17490 11352 1 19 . 1 1 29 29 LEU C C 319 176.806 176.806 175.998 0.808 17490 11353 1 19 . 1 1 29 29 LEU CA C 319 52.817 52.817 53.734 -0.917 17490 11354 1 19 . 1 1 29 29 LEU CB C 319 45.029 45.029 44.060 0.969 17490 11355 1 19 . 1 1 29 29 LEU H H 319 8.365 8.365 7.252 1.113 17490 11356 1 19 . 1 1 30 30 SER N N 320 117.220 117.220 117.474 -0.254 17490 11357 1 19 . 1 1 30 30 SER HA H 320 4.475 4.475 4.564 -0.089 17490 11358 1 19 . 1 1 30 30 SER C C 320 174.677 174.677 175.203 -0.526 17490 11359 1 19 . 1 1 30 30 SER CA C 320 57.768 57.768 57.505 0.263 17490 11360 1 19 . 1 1 30 30 SER CB C 320 64.118 64.118 65.287 -1.169 17490 11361 1 19 . 1 1 30 30 SER H H 320 8.652 8.652 8.456 0.196 17490 11362 1 19 . 1 1 31 31 ASP N N 321 121.514 121.514 119.894 1.620 17490 11363 1 19 . 1 1 31 31 ASP HA H 321 4.471 4.471 4.606 -0.135 17490 11364 1 19 . 1 1 31 31 ASP C C 321 176.811 176.811 176.280 0.531 17490 11365 1 19 . 1 1 31 31 ASP CA C 321 55.388 55.388 55.424 -0.036 17490 11366 1 19 . 1 1 31 31 ASP CB C 321 40.060 40.060 40.903 -0.843 17490 11367 1 19 . 1 1 31 31 ASP H H 321 8.587 8.587 8.459 0.128 17490 11368 1 19 . 1 1 32 32 LYS N N 322 117.990 117.990 119.757 -1.767 17490 11369 1 19 . 1 1 32 32 LYS HA H 322 4.331 4.331 4.457 -0.126 17490 11370 1 19 . 1 1 32 32 LYS C C 322 176.804 176.804 175.148 1.656 17490 11371 1 19 . 1 1 32 32 LYS CA C 322 55.545 55.545 55.641 -0.096 17490 11372 1 19 . 1 1 32 32 LYS CB C 322 31.942 31.942 33.068 -1.126 17490 11373 1 19 . 1 1 32 32 LYS H H 322 8.053 8.053 8.147 -0.094 17490 11374 1 19 . 1 1 33 33 VAL N N 323 119.570 119.570 116.369 3.201 17490 11375 1 19 . 1 1 33 33 VAL HA H 323 3.922 3.922 4.301 -0.379 17490 11376 1 19 . 1 1 33 33 VAL C C 323 173.362 173.362 175.561 -2.199 17490 11377 1 19 . 1 1 33 33 VAL CA C 323 63.294 63.294 60.447 2.847 17490 11378 1 19 . 1 1 33 33 VAL CB C 323 32.410 32.410 32.863 -0.453 17490 11379 1 19 . 1 1 33 33 VAL H H 323 7.333 7.333 7.443 -0.110 17490 11380 1 19 . 1 1 34 34 SER N N 324 118.908 118.908 115.517 3.391 17490 11381 1 19 . 1 1 34 34 SER HA H 324 5.104 5.104 4.837 0.267 17490 11382 1 19 . 1 1 34 34 SER CA C 324 55.114 55.114 56.507 -1.393 17490 11383 1 19 . 1 1 34 34 SER CB C 324 64.522 64.522 65.020 -0.498 17490 11384 1 19 . 1 1 34 34 SER H H 324 7.099 7.099 8.152 -1.053 17490 11385 1 19 . 1 1 35 35 PRO HA H 325 4.038 4.038 4.115 -0.077 17490 11386 1 19 . 1 1 35 35 PRO C C 325 178.107 178.107 178.475 -0.368 17490 11387 1 19 . 1 1 35 35 PRO CA C 325 66.275 66.275 65.855 0.420 17490 11388 1 19 . 1 1 35 35 PRO CB C 325 31.873 31.873 31.974 -0.101 17490 11389 1 19 . 1 1 36 36 SER N N 326 111.480 111.480 112.337 -0.857 17490 11390 1 19 . 1 1 36 36 SER HA H 326 4.179 4.179 4.306 -0.127 17490 11391 1 19 . 1 1 36 36 SER C C 326 176.897 176.897 176.826 0.071 17490 11392 1 19 . 1 1 36 36 SER CA C 326 61.731 61.731 61.442 0.289 17490 11393 1 19 . 1 1 36 36 SER CB C 326 62.211 62.211 62.421 -0.210 17490 11394 1 19 . 1 1 36 36 SER H H 326 8.172 8.172 8.526 -0.354 17490 11395 1 19 . 1 1 37 37 LEU N N 327 123.898 123.898 122.005 1.893 17490 11396 1 19 . 1 1 37 37 LEU HA H 327 4.311 4.311 4.100 0.211 17490 11397 1 19 . 1 1 37 37 LEU C C 327 180.292 180.292 178.715 1.577 17490 11398 1 19 . 1 1 37 37 LEU CA C 327 57.921 57.921 57.728 0.193 17490 11399 1 19 . 1 1 37 37 LEU CB C 327 42.694 42.694 41.635 1.060 17490 11400 1 19 . 1 1 37 37 LEU H H 327 7.751 7.751 7.666 0.085 17490 11401 1 19 . 1 1 38 38 ILE N N 328 119.411 119.411 118.831 0.580 17490 11402 1 19 . 1 1 38 38 ILE HA H 328 3.627 3.627 3.960 -0.333 17490 11403 1 19 . 1 1 38 38 ILE C C 328 176.884 176.884 178.159 -1.275 17490 11404 1 19 . 1 1 38 38 ILE CA C 328 65.153 65.153 62.671 2.482 17490 11405 1 19 . 1 1 38 38 ILE CB C 328 37.446 37.446 36.205 1.241 17490 11406 1 19 . 1 1 38 38 ILE H H 328 7.636 7.636 7.599 0.037 17490 11407 1 19 . 1 1 39 39 CYS N N 329 120.430 120.430 119.897 0.533 17490 11408 1 19 . 1 1 39 39 CYS HA H 329 3.743 3.743 3.841 -0.098 17490 11409 1 19 . 1 1 39 39 CYS C C 329 176.205 176.205 177.172 -0.967 17490 11410 1 19 . 1 1 39 39 CYS CA C 329 63.564 63.564 64.117 -0.553 17490 11411 1 19 . 1 1 39 39 CYS CB C 329 26.285 26.285 27.600 -1.315 17490 11412 1 19 . 1 1 39 39 CYS H H 329 8.640 8.640 7.720 0.920 17490 11413 1 19 . 1 1 40 40 GLN N N 330 118.263 118.263 119.010 -0.747 17490 11414 1 19 . 1 1 40 40 GLN HA H 330 4.099 4.099 4.010 0.089 17490 11415 1 19 . 1 1 40 40 GLN C C 330 177.445 177.445 178.586 -1.141 17490 11416 1 19 . 1 1 40 40 GLN CA C 330 59.496 59.496 58.349 1.147 17490 11417 1 19 . 1 1 40 40 GLN CB C 330 28.469 28.469 27.809 0.660 17490 11418 1 19 . 1 1 40 40 GLN H H 330 8.213 8.213 8.072 0.141 17490 11419 1 19 . 1 1 41 41 PHE N N 331 121.411 121.411 120.900 0.511 17490 11420 1 19 . 1 1 41 41 PHE HA H 331 4.661 4.661 4.166 0.495 17490 11421 1 19 . 1 1 41 41 PHE C C 331 177.475 177.475 177.383 0.092 17490 11422 1 19 . 1 1 41 41 PHE CA C 331 60.181 60.181 60.873 -0.692 17490 11423 1 19 . 1 1 41 41 PHE CB C 331 39.561 39.561 38.874 0.687 17490 11424 1 19 . 1 1 41 41 PHE H H 331 7.806 7.806 8.003 -0.197 17490 11425 1 19 . 1 1 42 42 LEU N N 332 119.016 119.016 119.366 -0.350 17490 11426 1 19 . 1 1 42 42 LEU HA H 332 3.508 3.508 3.539 -0.031 17490 11427 1 19 . 1 1 42 42 LEU C C 332 178.495 178.495 179.116 -0.621 17490 11428 1 19 . 1 1 42 42 LEU CA C 332 57.545 57.545 57.530 0.015 17490 11429 1 19 . 1 1 42 42 LEU CB C 332 40.880 40.880 41.521 -0.641 17490 11430 1 19 . 1 1 42 42 LEU H H 332 8.436 8.436 8.288 0.148 17490 11431 1 19 . 1 1 43 43 GLN N N 333 116.210 116.210 117.341 -1.131 17490 11432 1 19 . 1 1 43 43 GLN HA H 333 4.590 4.590 4.241 0.349 17490 11433 1 19 . 1 1 43 43 GLN C C 333 178.499 178.499 178.653 -0.154 17490 11434 1 19 . 1 1 43 43 GLN CA C 333 58.875 58.875 58.401 0.474 17490 11435 1 19 . 1 1 43 43 GLN CB C 333 30.846 30.846 28.604 2.242 17490 11436 1 19 . 1 1 43 43 GLN H H 333 8.236 8.236 8.364 -0.128 17490 11437 1 19 . 1 1 44 44 GLU N N 334 117.050 117.050 119.620 -2.570 17490 11438 1 19 . 1 1 44 44 GLU HA H 334 4.116 4.116 4.140 -0.024 17490 11439 1 19 . 1 1 44 44 GLU C C 334 177.407 177.407 178.059 -0.652 17490 11440 1 19 . 1 1 44 44 GLU CA C 334 58.756 58.756 58.905 -0.149 17490 11441 1 19 . 1 1 44 44 GLU CB C 334 30.518 30.518 29.683 0.835 17490 11442 1 19 . 1 1 44 44 GLU H H 334 8.926 8.926 8.241 0.685 17490 11443 1 19 . 1 1 45 45 GLU N N 335 114.950 114.950 117.003 -2.053 17490 11444 1 19 . 1 1 45 45 GLU HA H 335 4.354 4.354 4.231 0.123 17490 11445 1 19 . 1 1 45 45 GLU C C 335 176.873 176.873 178.249 -1.376 17490 11446 1 19 . 1 1 45 45 GLU CA C 335 57.018 57.018 56.852 0.166 17490 11447 1 19 . 1 1 45 45 GLU CB C 335 29.537 29.537 30.771 -1.234 17490 11448 1 19 . 1 1 45 45 GLU H H 335 8.054 8.054 7.958 0.096 17490 11449 1 19 . 1 1 46 46 ILE N N 336 115.649 115.649 117.795 -2.146 17490 11450 1 19 . 1 1 46 46 ILE HA H 336 3.895 3.895 4.007 -0.112 17490 11451 1 19 . 1 1 46 46 ILE C C 336 175.873 175.873 175.891 -0.018 17490 11452 1 19 . 1 1 46 46 ILE CA C 336 58.097 58.097 60.193 -2.096 17490 11453 1 19 . 1 1 46 46 ILE CB C 336 35.077 35.077 36.976 -1.899 17490 11454 1 19 . 1 1 46 46 ILE H H 336 6.749 6.749 7.383 -0.634 17490 11455 1 19 . 1 1 47 47 HIS N N 337 111.685 111.685 115.035 -3.350 17490 11456 1 19 . 1 1 47 47 HIS HA H 337 4.520 4.520 4.274 0.246 17490 11457 1 19 . 1 1 47 47 HIS C C 337 174.787 174.787 174.019 0.768 17490 11458 1 19 . 1 1 47 47 HIS CA C 337 56.387 56.387 56.167 0.220 17490 11459 1 19 . 1 1 47 47 HIS CB C 337 24.947 24.947 27.983 -3.035 17490 11460 1 19 . 1 1 47 47 HIS H H 337 6.652 6.652 7.577 -0.925 17490 11461 1 19 . 1 1 48 48 ILE N N 338 118.069 118.069 118.951 -0.882 17490 11462 1 19 . 1 1 48 48 ILE HA H 338 4.433 4.433 3.958 0.475 17490 11463 1 19 . 1 1 48 48 ILE C C 338 175.031 175.031 175.069 -0.038 17490 11464 1 19 . 1 1 48 48 ILE CA C 338 60.737 60.737 63.132 -2.395 17490 11465 1 19 . 1 1 48 48 ILE CB C 338 38.861 38.861 38.257 0.604 17490 11466 1 19 . 1 1 48 48 ILE H H 338 7.963 7.963 7.329 0.634 17490 11467 1 19 . 1 1 49 49 ASN N N 339 123.991 123.991 124.256 -0.265 17490 11468 1 19 . 1 1 49 49 ASN HA H 339 4.691 4.691 4.848 -0.157 17490 11469 1 19 . 1 1 49 49 ASN C C 339 176.381 176.381 175.969 0.412 17490 11470 1 19 . 1 1 49 49 ASN CA C 339 53.296 53.296 52.100 1.196 17490 11471 1 19 . 1 1 49 49 ASN CB C 339 40.570 40.570 39.654 0.916 17490 11472 1 19 . 1 1 49 49 ASN H H 339 9.222 9.222 7.779 1.443 17490 11473 1 19 . 1 1 50 50 GLU N N 340 125.549 125.549 117.106 8.443 17490 11474 1 19 . 1 1 50 50 GLU HA H 340 3.792 3.792 3.983 -0.191 17490 11475 1 19 . 1 1 50 50 GLU C C 340 177.988 177.988 177.090 0.898 17490 11476 1 19 . 1 1 50 50 GLU CA C 340 59.807 59.807 59.145 0.662 17490 11477 1 19 . 1 1 50 50 GLU CB C 340 29.143 29.143 29.450 -0.307 17490 11478 1 19 . 1 1 50 50 GLU H H 340 8.971 8.971 8.821 0.150 17490 11479 1 19 . 1 1 51 51 LYS N N 341 116.019 116.019 117.019 -1.000 17490 11480 1 19 . 1 1 51 51 LYS HA H 341 4.117 4.117 4.362 -0.245 17490 11481 1 19 . 1 1 51 51 LYS C C 341 177.283 177.283 178.175 -0.892 17490 11482 1 19 . 1 1 51 51 LYS CA C 341 57.718 57.718 58.017 -0.299 17490 11483 1 19 . 1 1 51 51 LYS CB C 341 31.650 31.650 33.118 -1.468 17490 11484 1 19 . 1 1 51 51 LYS H H 341 8.424 8.424 8.220 0.204 17490 11485 1 19 . 1 1 52 52 ASP N N 342 117.576 117.576 120.415 -2.839 17490 11486 1 19 . 1 1 52 52 ASP HA H 342 4.444 4.444 4.572 -0.128 17490 11487 1 19 . 1 1 52 52 ASP C C 342 175.454 175.454 176.056 -0.602 17490 11488 1 19 . 1 1 52 52 ASP CA C 342 56.002 56.002 57.685 -1.683 17490 11489 1 19 . 1 1 52 52 ASP CB C 342 41.937 41.937 42.190 -0.253 17490 11490 1 19 . 1 1 52 52 ASP H H 342 7.908 7.908 8.643 -0.735 17490 11491 1 19 . 1 1 53 53 ILE N N 343 120.515 120.515 117.998 2.517 17490 11492 1 19 . 1 1 53 53 ILE HA H 343 3.875 3.875 4.287 -0.412 17490 11493 1 19 . 1 1 53 53 ILE C C 343 174.966 174.966 174.351 0.615 17490 11494 1 19 . 1 1 53 53 ILE CA C 343 61.101 61.101 59.840 1.261 17490 11495 1 19 . 1 1 53 53 ILE CB C 343 39.931 39.931 39.782 0.148 17490 11496 1 19 . 1 1 53 53 ILE H H 343 7.480 7.480 7.306 0.174 17490 11497 1 19 . 1 1 54 54 ARG N N 344 125.353 125.353 125.919 -0.566 17490 11498 1 19 . 1 1 54 54 ARG HA H 344 4.291 4.291 4.238 0.053 17490 11499 1 19 . 1 1 54 54 ARG C C 344 176.642 176.642 176.679 -0.037 17490 11500 1 19 . 1 1 54 54 ARG CA C 344 57.550 57.550 58.010 -0.460 17490 11501 1 19 . 1 1 54 54 ARG CB C 344 30.848 30.848 31.636 -0.788 17490 11502 1 19 . 1 1 54 54 ARG H H 344 9.063 9.063 8.819 0.244 17490 11503 1 19 . 1 1 55 55 LYS N N 345 116.212 116.212 116.841 -0.629 17490 11504 1 19 . 1 1 55 55 LYS HA H 345 4.417 4.417 4.488 -0.071 17490 11505 1 19 . 1 1 55 55 LYS C C 345 173.004 173.004 173.892 -0.888 17490 11506 1 19 . 1 1 55 55 LYS CA C 345 55.873 55.873 55.765 0.108 17490 11507 1 19 . 1 1 55 55 LYS CB C 345 36.582 36.582 36.510 0.072 17490 11508 1 19 . 1 1 55 55 LYS H H 345 7.569 7.569 7.547 0.022 17490 11509 1 19 . 1 1 56 56 ILE N N 346 122.685 122.685 122.736 -0.051 17490 11510 1 19 . 1 1 56 56 ILE HA H 346 4.731 4.731 4.795 -0.064 17490 11511 1 19 . 1 1 56 56 ILE C C 346 174.163 174.163 173.820 0.343 17490 11512 1 19 . 1 1 56 56 ILE CA C 346 60.843 60.843 59.886 0.956 17490 11513 1 19 . 1 1 56 56 ILE CB C 346 40.816 40.816 40.343 0.473 17490 11514 1 19 . 1 1 56 56 ILE H H 346 8.229 8.229 8.305 -0.076 17490 11515 1 19 . 1 1 57 57 LEU N N 347 126.095 126.095 127.784 -1.689 17490 11516 1 19 . 1 1 57 57 LEU HA H 347 4.775 4.775 4.709 0.066 17490 11517 1 19 . 1 1 57 57 LEU C C 347 175.764 175.764 174.680 1.084 17490 11518 1 19 . 1 1 57 57 LEU CA C 347 52.746 52.746 53.793 -1.047 17490 11519 1 19 . 1 1 57 57 LEU CB C 347 45.364 45.364 46.489 -1.125 17490 11520 1 19 . 1 1 57 57 LEU H H 347 9.279 9.279 8.548 0.731 17490 11521 1 19 . 1 1 58 58 LEU N N 348 122.946 122.946 123.165 -0.219 17490 11522 1 19 . 1 1 58 58 LEU HA H 348 4.338 4.338 4.577 -0.239 17490 11523 1 19 . 1 1 58 58 LEU C C 348 176.476 176.476 176.379 0.097 17490 11524 1 19 . 1 1 58 58 LEU CA C 348 55.221 55.221 54.157 1.064 17490 11525 1 19 . 1 1 58 58 LEU CB C 348 41.496 41.496 44.666 -3.170 17490 11526 1 19 . 1 1 58 58 LEU H H 348 8.925 8.925 8.579 0.346 17490 11527 1 19 . 1 1 59 59 VAL N N 349 123.378 123.378 123.481 -0.103 17490 11528 1 19 . 1 1 59 59 VAL HA H 349 4.385 4.385 4.498 -0.113 17490 11529 1 19 . 1 1 59 59 VAL C C 349 176.335 176.335 175.589 0.746 17490 11530 1 19 . 1 1 59 59 VAL CA C 349 59.595 59.595 61.663 -2.068 17490 11531 1 19 . 1 1 59 59 VAL CB C 349 31.100 31.100 31.822 -0.722 17490 11532 1 19 . 1 1 59 59 VAL H H 349 8.637 8.637 9.019 -0.382 17490 11533 1 19 . 1 1 60 60 SER N N 350 124.152 124.152 121.336 2.816 17490 11534 1 19 . 1 1 60 60 SER HA H 350 3.907 3.907 4.708 -0.801 17490 11535 1 19 . 1 1 60 60 SER C C 350 177.518 177.518 174.145 3.373 17490 11536 1 19 . 1 1 60 60 SER CA C 350 62.261 62.261 60.009 2.252 17490 11537 1 19 . 1 1 60 60 SER CB C 350 62.301 62.301 63.614 -1.313 17490 11538 1 19 . 1 1 60 60 SER H H 350 8.755 8.755 8.754 0.001 17490 11539 1 19 . 1 1 61 61 ASP N N 351 119.224 119.224 119.436 -0.212 17490 11540 1 19 . 1 1 61 61 ASP HA H 351 3.964 3.964 4.314 -0.350 17490 11541 1 19 . 1 1 61 61 ASP C C 351 174.721 174.721 173.914 0.807 17490 11542 1 19 . 1 1 61 61 ASP CA C 351 56.162 56.162 53.235 2.927 17490 11543 1 19 . 1 1 61 61 ASP CB C 351 40.102 40.102 39.469 0.632 17490 11544 1 19 . 1 1 61 61 ASP H H 351 9.011 9.011 8.046 0.965 17490 11545 1 19 . 1 1 62 62 PHE N N 352 110.179 110.179 112.880 -2.701 17490 11546 1 19 . 1 1 62 62 PHE HA H 352 3.983 3.983 4.174 -0.191 17490 11547 1 19 . 1 1 62 62 PHE C C 352 173.268 173.268 174.020 -0.752 17490 11548 1 19 . 1 1 62 62 PHE CA C 352 56.221 56.221 57.509 -1.288 17490 11549 1 19 . 1 1 62 62 PHE CB C 352 39.789 39.789 40.314 -0.525 17490 11550 1 19 . 1 1 62 62 PHE H H 352 6.702 6.702 6.974 -0.272 17490 11551 1 19 . 1 1 63 63 ASN N N 353 114.980 114.980 118.239 -3.259 17490 11552 1 19 . 1 1 63 63 ASN HA H 353 4.665 4.665 4.541 0.124 17490 11553 1 19 . 1 1 63 63 ASN C C 353 174.360 174.360 173.726 0.634 17490 11554 1 19 . 1 1 63 63 ASN CA C 353 54.158 54.158 53.773 0.385 17490 11555 1 19 . 1 1 63 63 ASN CB C 353 37.889 37.889 36.910 0.979 17490 11556 1 19 . 1 1 63 63 ASN H H 353 7.708 7.708 8.262 -0.554 17490 11557 1 19 . 1 1 64 64 GLY N N 354 102.117 102.117 105.490 -3.373 17490 11558 1 19 . 1 1 64 64 GLY C C 354 173.093 173.093 171.604 1.489 17490 11559 1 19 . 1 1 64 64 GLY CA C 354 45.413 45.413 45.158 0.255 17490 11560 1 19 . 1 1 64 64 GLY H H 354 7.722 7.722 8.272 -0.550 17490 11561 1 19 . 1 1 65 65 ALA N N 355 120.262 120.262 121.358 -1.096 17490 11562 1 19 . 1 1 65 65 ALA HA H 355 5.055 5.055 5.114 -0.059 17490 11563 1 19 . 1 1 65 65 ALA C C 355 174.731 174.731 175.560 -0.829 17490 11564 1 19 . 1 1 65 65 ALA CA C 355 51.429 51.429 51.299 0.130 17490 11565 1 19 . 1 1 65 65 ALA CB C 355 22.924 22.924 21.914 1.010 17490 11566 1 19 . 1 1 65 65 ALA H H 355 8.785 8.785 8.710 0.075 17490 11567 1 19 . 1 1 66 66 ILE N N 356 121.244 121.244 126.537 -5.293 17490 11568 1 19 . 1 1 66 66 ILE HA H 356 4.711 4.711 4.574 0.137 17490 11569 1 19 . 1 1 66 66 ILE C C 356 174.154 174.154 174.643 -0.489 17490 11570 1 19 . 1 1 66 66 ILE CA C 356 60.570 60.570 61.882 -1.312 17490 11571 1 19 . 1 1 66 66 ILE CB C 356 41.943 41.943 38.957 2.986 17490 11572 1 19 . 1 1 66 66 ILE H H 356 9.390 9.390 8.332 1.058 17490 11573 1 19 . 1 1 67 67 ILE N N 357 127.255 127.255 127.564 -0.309 17490 11574 1 19 . 1 1 67 67 ILE HA H 357 4.433 4.433 4.705 -0.272 17490 11575 1 19 . 1 1 67 67 ILE C C 357 174.004 174.004 174.442 -0.438 17490 11576 1 19 . 1 1 67 67 ILE CA C 357 59.826 59.826 60.266 -0.440 17490 11577 1 19 . 1 1 67 67 ILE CB C 357 38.965 38.965 42.701 -3.736 17490 11578 1 19 . 1 1 67 67 ILE H H 357 9.291 9.291 8.642 0.649 17490 11579 1 19 . 1 1 68 68 ILE N N 358 124.623 124.623 127.352 -2.729 17490 11580 1 19 . 1 1 68 68 ILE HA H 358 4.293 4.293 4.717 -0.424 17490 11581 1 19 . 1 1 68 68 ILE C C 358 176.052 176.052 175.756 0.296 17490 11582 1 19 . 1 1 68 68 ILE CA C 358 61.079 61.079 60.195 0.884 17490 11583 1 19 . 1 1 68 68 ILE CB C 358 38.373 38.373 37.819 0.554 17490 11584 1 19 . 1 1 68 68 ILE H H 358 8.681 8.681 8.108 0.573 17490 11585 1 19 . 1 1 69 69 PHE N N 359 126.100 126.100 125.678 0.422 17490 11586 1 19 . 1 1 69 69 PHE HA H 359 5.130 5.130 4.300 0.830 17490 11587 1 19 . 1 1 69 69 PHE C C 359 175.355 175.355 177.161 -1.806 17490 11588 1 19 . 1 1 69 69 PHE CA C 359 58.156 58.156 62.330 -4.174 17490 11589 1 19 . 1 1 69 69 PHE CB C 359 41.592 41.592 39.358 2.234 17490 11590 1 19 . 1 1 69 69 PHE H H 359 9.086 9.086 8.451 0.635 17490 11591 1 19 . 1 1 70 70 ARG N N 360 115.935 115.935 115.743 0.192 17490 11592 1 19 . 1 1 70 70 ARG HA H 360 4.068 4.068 4.520 -0.452 17490 11593 1 19 . 1 1 70 70 ARG C C 360 175.099 175.099 174.540 0.559 17490 11594 1 19 . 1 1 70 70 ARG CA C 360 58.594 58.594 56.262 2.332 17490 11595 1 19 . 1 1 70 70 ARG CB C 360 30.664 30.664 31.897 -1.233 17490 11596 1 19 . 1 1 70 70 ARG H H 360 8.268 8.268 8.662 -0.394 17490 11597 1 19 . 1 1 71 71 ASP N N 361 113.892 113.892 116.645 -2.753 17490 11598 1 19 . 1 1 71 71 ASP HA H 361 4.880 4.880 4.683 0.197 17490 11599 1 19 . 1 1 71 71 ASP C C 361 176.087 176.087 175.058 1.029 17490 11600 1 19 . 1 1 71 71 ASP CA C 361 53.329 53.329 54.277 -0.948 17490 11601 1 19 . 1 1 71 71 ASP CB C 361 44.131 44.131 42.275 1.856 17490 11602 1 19 . 1 1 71 71 ASP H H 361 7.673 7.673 7.846 -0.173 17490 11603 1 19 . 1 1 72 72 SER N N 362 118.590 118.590 117.607 0.983 17490 11604 1 19 . 1 1 72 72 SER HA H 362 4.310 4.310 4.491 -0.181 17490 11605 1 19 . 1 1 72 72 SER C C 362 176.600 176.600 176.553 0.047 17490 11606 1 19 . 1 1 72 72 SER CA C 362 60.739 60.739 61.267 -0.528 17490 11607 1 19 . 1 1 72 72 SER CB C 362 62.872 62.872 63.352 -0.480 17490 11608 1 19 . 1 1 72 72 SER H H 362 9.103 9.103 8.925 0.178 17490 11609 1 19 . 1 1 73 73 LYS N N 363 125.872 125.872 120.101 5.771 17490 11610 1 19 . 1 1 73 73 LYS HA H 363 4.134 4.134 4.039 0.095 17490 11611 1 19 . 1 1 73 73 LYS C C 363 179.386 179.386 179.244 0.142 17490 11612 1 19 . 1 1 73 73 LYS CA C 363 59.283 59.283 59.392 -0.110 17490 11613 1 19 . 1 1 73 73 LYS CB C 363 31.491 31.491 32.385 -0.894 17490 11614 1 19 . 1 1 73 73 LYS H H 363 8.332 8.332 7.702 0.630 17490 11615 1 19 . 1 1 74 74 PHE N N 364 123.145 123.145 119.747 3.398 17490 11616 1 19 . 1 1 74 74 PHE HA H 364 3.968 3.968 4.324 -0.356 17490 11617 1 19 . 1 1 74 74 PHE C C 364 177.819 177.819 176.419 1.400 17490 11618 1 19 . 1 1 74 74 PHE CA C 364 61.588 61.588 58.611 2.977 17490 11619 1 19 . 1 1 74 74 PHE CB C 364 39.963 39.963 38.896 1.067 17490 11620 1 19 . 1 1 74 74 PHE H H 364 8.482 8.482 7.416 1.066 17490 11621 1 19 . 1 1 75 75 ALA N N 365 119.451 119.451 122.008 -2.557 17490 11622 1 19 . 1 1 75 75 ALA HA H 365 3.396 3.396 3.580 -0.184 17490 11623 1 19 . 1 1 75 75 ALA C C 365 178.100 178.100 179.175 -1.075 17490 11624 1 19 . 1 1 75 75 ALA CA C 365 55.584 55.584 55.015 0.569 17490 11625 1 19 . 1 1 75 75 ALA CB C 365 18.265 18.265 18.028 0.237 17490 11626 1 19 . 1 1 75 75 ALA H H 365 7.835 7.835 8.804 -0.969 17490 11627 1 19 . 1 1 76 76 ALA N N 366 117.626 117.626 120.350 -2.724 17490 11628 1 19 . 1 1 76 76 ALA HA H 366 4.033 4.033 4.114 -0.081 17490 11629 1 19 . 1 1 76 76 ALA C C 366 180.569 180.569 179.187 1.382 17490 11630 1 19 . 1 1 76 76 ALA CA C 366 54.996 54.996 54.697 0.299 17490 11631 1 19 . 1 1 76 76 ALA CB C 366 18.040 18.040 18.330 -0.290 17490 11632 1 19 . 1 1 76 76 ALA H H 366 7.680 7.680 8.007 -0.327 17490 11633 1 19 . 1 1 77 77 LYS N N 367 118.273 118.273 119.617 -1.344 17490 11634 1 19 . 1 1 77 77 LYS HA H 367 3.998 3.998 4.068 -0.070 17490 11635 1 19 . 1 1 77 77 LYS C C 367 178.964 178.964 178.507 0.457 17490 11636 1 19 . 1 1 77 77 LYS CA C 367 58.803 58.803 58.931 -0.128 17490 11637 1 19 . 1 1 77 77 LYS CB C 367 32.106 32.106 32.471 -0.366 17490 11638 1 19 . 1 1 77 77 LYS H H 367 7.302 7.302 7.684 -0.382 17490 11639 1 19 . 1 1 78 78 MET N N 368 117.578 117.578 119.146 -1.568 17490 11640 1 19 . 1 1 78 78 MET HA H 368 4.273 4.273 4.084 0.189 17490 11641 1 19 . 1 1 78 78 MET C C 368 178.167 178.167 177.606 0.561 17490 11642 1 19 . 1 1 78 78 MET CA C 368 55.734 55.734 56.263 -0.529 17490 11643 1 19 . 1 1 78 78 MET CB C 368 32.382 32.382 31.367 1.015 17490 11644 1 19 . 1 1 78 78 MET H H 368 7.785 7.785 7.702 0.083 17490 11645 1 19 . 1 1 79 79 LEU N N 369 120.984 120.984 122.820 -1.836 17490 11646 1 19 . 1 1 79 79 LEU HA H 369 3.786 3.786 4.140 -0.354 17490 11647 1 19 . 1 1 79 79 LEU C C 369 179.060 179.060 178.910 0.150 17490 11648 1 19 . 1 1 79 79 LEU CA C 369 59.377 59.377 58.161 1.216 17490 11649 1 19 . 1 1 79 79 LEU CB C 369 42.354 42.354 41.903 0.451 17490 11650 1 19 . 1 1 79 79 LEU H H 369 8.197 8.197 7.767 0.430 17490 11651 1 19 . 1 1 80 80 MET N N 370 114.071 114.071 115.901 -1.830 17490 11652 1 19 . 1 1 80 80 MET HA H 370 4.277 4.277 4.181 0.096 17490 11653 1 19 . 1 1 80 80 MET C C 370 178.184 178.184 178.446 -0.262 17490 11654 1 19 . 1 1 80 80 MET CA C 370 57.627 57.627 57.414 0.213 17490 11655 1 19 . 1 1 80 80 MET CB C 370 32.543 32.543 31.825 0.718 17490 11656 1 19 . 1 1 80 80 MET H H 370 7.018 7.018 7.892 -0.874 17490 11657 1 19 . 1 1 81 81 ILE N N 371 118.056 118.056 117.014 1.042 17490 11658 1 19 . 1 1 81 81 ILE HA H 371 3.885 3.885 3.960 -0.075 17490 11659 1 19 . 1 1 81 81 ILE C C 371 177.491 177.491 177.987 -0.496 17490 11660 1 19 . 1 1 81 81 ILE CA C 371 63.571 63.571 62.273 1.298 17490 11661 1 19 . 1 1 81 81 ILE CB C 371 38.716 38.716 37.887 0.829 17490 11662 1 19 . 1 1 81 81 ILE H H 371 7.615 7.615 7.696 -0.081 17490 11663 1 19 . 1 1 82 82 LEU N N 372 116.858 116.858 119.212 -2.354 17490 11664 1 19 . 1 1 82 82 LEU HA H 372 4.100 4.100 4.399 -0.299 17490 11665 1 19 . 1 1 82 82 LEU C C 372 178.360 178.360 177.053 1.307 17490 11666 1 19 . 1 1 82 82 LEU CA C 372 55.929 55.929 57.089 -1.160 17490 11667 1 19 . 1 1 82 82 LEU CB C 372 42.309 42.309 42.430 -0.121 17490 11668 1 19 . 1 1 82 82 LEU H H 372 8.160 8.160 8.482 -0.322 17490 11669 1 19 . 1 1 83 83 ASN N N 373 117.015 117.015 117.352 -0.337 17490 11670 1 19 . 1 1 83 83 ASN HA H 373 4.348 4.348 4.578 -0.230 17490 11671 1 19 . 1 1 83 83 ASN C C 373 175.671 175.671 176.239 -0.568 17490 11672 1 19 . 1 1 83 83 ASN CA C 373 55.793 55.793 55.105 0.688 17490 11673 1 19 . 1 1 83 83 ASN CB C 373 38.434 38.434 38.977 -0.543 17490 11674 1 19 . 1 1 83 83 ASN H H 373 7.058 7.058 7.836 -0.778 17490 11675 1 19 . 1 1 84 84 GLY N N 374 116.878 116.878 105.665 11.213 17490 11676 1 19 . 1 1 84 84 GLY C C 374 174.602 174.602 174.557 0.045 17490 11677 1 19 . 1 1 84 84 GLY CA C 374 45.842 45.842 45.734 0.107 17490 11678 1 19 . 1 1 84 84 GLY H H 374 9.053 9.053 8.384 0.669 17490 11679 1 19 . 1 1 85 85 SER N N 375 116.615 116.615 115.568 1.047 17490 11680 1 19 . 1 1 85 85 SER HA H 375 4.407 4.407 4.698 -0.291 17490 11681 1 19 . 1 1 85 85 SER C C 375 171.580 171.580 173.672 -2.092 17490 11682 1 19 . 1 1 85 85 SER CA C 375 59.280 59.280 57.822 1.458 17490 11683 1 19 . 1 1 85 85 SER CB C 375 64.303 64.303 64.925 -0.622 17490 11684 1 19 . 1 1 85 85 SER H H 375 7.666 7.666 7.868 -0.202 17490 11685 1 19 . 1 1 86 86 GLN N N 376 117.824 117.824 120.344 -2.520 17490 11686 1 19 . 1 1 86 86 GLN HA H 376 4.893 4.893 5.115 -0.222 17490 11687 1 19 . 1 1 86 86 GLN C C 376 175.033 175.033 174.972 0.061 17490 11688 1 19 . 1 1 86 86 GLN CA C 376 54.885 54.885 55.036 -0.151 17490 11689 1 19 . 1 1 86 86 GLN CB C 376 30.733 30.733 29.919 0.814 17490 11690 1 19 . 1 1 86 86 GLN H H 376 8.381 8.381 8.598 -0.217 17490 11691 1 19 . 1 1 87 87 PHE N N 377 124.095 124.095 123.953 0.142 17490 11692 1 19 . 1 1 87 87 PHE HA H 377 4.472 4.472 4.772 -0.300 17490 11693 1 19 . 1 1 87 87 PHE C C 377 174.760 174.760 174.628 0.132 17490 11694 1 19 . 1 1 87 87 PHE CA C 377 56.009 56.009 57.192 -1.183 17490 11695 1 19 . 1 1 87 87 PHE CB C 377 41.519 41.519 42.414 -0.895 17490 11696 1 19 . 1 1 87 87 PHE H H 377 8.974 8.974 9.187 -0.213 17490 11697 1 19 . 1 1 88 88 GLN N N 378 126.108 126.108 123.663 2.445 17490 11698 1 19 . 1 1 88 88 GLN HA H 378 3.505 3.505 3.559 -0.054 17490 11699 1 19 . 1 1 88 88 GLN C C 378 176.162 176.162 175.566 0.596 17490 11700 1 19 . 1 1 88 88 GLN CA C 378 56.570 56.570 56.268 0.302 17490 11701 1 19 . 1 1 88 88 GLN CB C 378 26.070 26.070 26.901 -0.831 17490 11702 1 19 . 1 1 88 88 GLN H H 378 9.139 9.139 8.557 0.582 17490 11703 1 19 . 1 1 89 89 GLY N N 379 103.132 103.132 101.541 1.591 17490 11704 1 19 . 1 1 89 89 GLY C C 379 173.587 173.587 173.871 -0.284 17490 11705 1 19 . 1 1 89 89 GLY CA C 379 45.382 45.382 44.924 0.458 17490 11706 1 19 . 1 1 89 89 GLY H H 379 8.580 8.580 8.402 0.178 17490 11707 1 19 . 1 1 90 90 LYS N N 380 119.783 119.783 119.625 0.158 17490 11708 1 19 . 1 1 90 90 LYS HA H 380 4.697 4.697 4.738 -0.041 17490 11709 1 19 . 1 1 90 90 LYS C C 380 174.500 174.500 174.897 -0.397 17490 11710 1 19 . 1 1 90 90 LYS CA C 380 54.019 54.019 54.340 -0.321 17490 11711 1 19 . 1 1 90 90 LYS CB C 380 35.919 35.919 35.534 0.385 17490 11712 1 19 . 1 1 90 90 LYS H H 380 7.457 7.457 7.684 -0.227 17490 11713 1 19 . 1 1 91 91 VAL N N 381 121.517 121.517 122.032 -0.515 17490 11714 1 19 . 1 1 91 91 VAL HA H 381 4.294 4.294 5.147 -0.853 17490 11715 1 19 . 1 1 91 91 VAL C C 381 176.729 176.729 175.989 0.740 17490 11716 1 19 . 1 1 91 91 VAL CA C 381 63.176 63.176 60.900 2.276 17490 11717 1 19 . 1 1 91 91 VAL CB C 381 32.073 32.073 32.728 -0.655 17490 11718 1 19 . 1 1 91 91 VAL H H 381 8.256 8.256 8.323 -0.067 17490 11719 1 19 . 1 1 92 92 ILE N N 382 124.746 124.746 123.848 0.898 17490 11720 1 19 . 1 1 92 92 ILE HA H 382 4.533 4.533 4.634 -0.101 17490 11721 1 19 . 1 1 92 92 ILE C C 382 173.501 173.501 174.272 -0.771 17490 11722 1 19 . 1 1 92 92 ILE CA C 382 59.249 59.249 59.724 -0.475 17490 11723 1 19 . 1 1 92 92 ILE CB C 382 41.995 41.995 40.099 1.896 17490 11724 1 19 . 1 1 92 92 ILE H H 382 8.788 8.788 8.717 0.071 17490 11725 1 19 . 1 1 93 93 ARG N N 383 119.723 119.723 123.404 -3.681 17490 11726 1 19 . 1 1 93 93 ARG HA H 383 4.608 4.608 5.043 -0.435 17490 11727 1 19 . 1 1 93 93 ARG C C 383 173.979 173.979 174.805 -0.826 17490 11728 1 19 . 1 1 93 93 ARG CA C 383 53.178 53.178 54.004 -0.826 17490 11729 1 19 . 1 1 93 93 ARG CB C 383 31.724 31.724 35.445 -3.721 17490 11730 1 19 . 1 1 93 93 ARG H H 383 8.500 8.500 8.518 -0.018 17490 11731 1 19 . 1 1 94 94 SER N N 384 110.386 110.386 113.531 -3.145 17490 11732 1 19 . 1 1 94 94 SER HA H 384 5.685 5.685 4.843 0.842 17490 11733 1 19 . 1 1 94 94 SER C C 384 174.791 174.791 172.707 2.084 17490 11734 1 19 . 1 1 94 94 SER CA C 384 54.419 54.419 56.850 -2.431 17490 11735 1 19 . 1 1 94 94 SER CB C 384 67.147 67.147 64.852 2.295 17490 11736 1 19 . 1 1 94 94 SER H H 384 7.700 7.700 8.645 -0.945 17490 11737 1 19 . 1 1 95 95 GLY N N 385 106.738 106.738 107.943 -1.205 17490 11738 1 19 . 1 1 95 95 GLY C C 385 171.619 171.619 172.424 -0.805 17490 11739 1 19 . 1 1 95 95 GLY CA C 385 45.904 45.904 45.744 0.160 17490 11740 1 19 . 1 1 95 95 GLY H H 385 8.360 8.360 8.230 0.130 17490 11741 1 19 . 1 1 96 96 THR N N 386 111.493 111.493 112.769 -1.276 17490 11742 1 19 . 1 1 96 96 THR HA H 386 4.604 4.604 4.608 -0.004 17490 11743 1 19 . 1 1 96 96 THR C C 386 175.600 175.600 176.088 -0.488 17490 11744 1 19 . 1 1 96 96 THR CA C 386 60.901 60.901 61.229 -0.328 17490 11745 1 19 . 1 1 96 96 THR CB C 386 71.709 71.709 71.115 0.594 17490 11746 1 19 . 1 1 96 96 THR H H 386 9.274 9.274 7.504 1.770 17490 11747 1 19 . 1 1 97 97 ILE N N 387 121.293 121.293 117.648 3.645 17490 11748 1 19 . 1 1 97 97 ILE HA H 387 3.881 3.881 3.990 -0.109 17490 11749 1 19 . 1 1 97 97 ILE C C 387 178.109 178.109 176.926 1.183 17490 11750 1 19 . 1 1 97 97 ILE CA C 387 65.826 65.826 63.860 1.966 17490 11751 1 19 . 1 1 97 97 ILE CB C 387 37.717 37.717 37.760 -0.043 17490 11752 1 19 . 1 1 97 97 ILE H H 387 9.339 9.339 8.068 1.271 17490 11753 1 19 . 1 1 98 98 ASN N N 388 117.358 117.358 119.002 -1.644 17490 11754 1 19 . 1 1 98 98 ASN HA H 388 4.224 4.224 4.371 -0.147 17490 11755 1 19 . 1 1 98 98 ASN C C 388 178.040 178.040 176.827 1.213 17490 11756 1 19 . 1 1 98 98 ASN CA C 388 56.205 56.205 56.263 -0.058 17490 11757 1 19 . 1 1 98 98 ASN CB C 388 37.719 37.719 38.365 -0.646 17490 11758 1 19 . 1 1 98 98 ASN H H 388 8.162 8.162 8.201 -0.039 17490 11759 1 19 . 1 1 99 99 ASP N N 389 121.336 121.336 120.229 1.107 17490 11760 1 19 . 1 1 99 99 ASP HA H 389 4.236 4.236 4.065 0.171 17490 11761 1 19 . 1 1 99 99 ASP C C 389 177.813 177.813 177.665 0.148 17490 11762 1 19 . 1 1 99 99 ASP CA C 389 57.639 57.639 57.242 0.397 17490 11763 1 19 . 1 1 99 99 ASP CB C 389 40.497 40.497 40.211 0.286 17490 11764 1 19 . 1 1 99 99 ASP H H 389 7.865 7.865 8.152 -0.287 17490 11765 1 19 . 1 1 100 100 MET N N 390 122.932 122.932 117.279 5.653 17490 11766 1 19 . 1 1 100 100 MET HA H 390 4.499 4.499 3.414 1.085 17490 11767 1 19 . 1 1 100 100 MET C C 390 178.081 178.081 177.422 0.659 17490 11768 1 19 . 1 1 100 100 MET CA C 390 58.402 58.402 58.170 0.232 17490 11769 1 19 . 1 1 100 100 MET CB C 390 32.263 32.263 31.917 0.346 17490 11770 1 19 . 1 1 100 100 MET H H 390 7.874 7.874 7.241 0.633 17490 11771 1 19 . 1 1 101 101 LYS N N 391 118.764 118.764 120.459 -1.695 17490 11772 1 19 . 1 1 101 101 LYS HA H 391 3.484 3.484 4.151 -0.667 17490 11773 1 19 . 1 1 101 101 LYS C C 391 178.102 178.102 179.475 -1.373 17490 11774 1 19 . 1 1 101 101 LYS CA C 391 60.070 60.070 59.092 0.979 17490 11775 1 19 . 1 1 101 101 LYS CB C 391 32.468 32.468 31.723 0.745 17490 11776 1 19 . 1 1 101 101 LYS H H 391 7.994 7.994 7.512 0.482 17490 11777 1 19 . 1 1 102 102 ARG N N 392 118.974 118.974 119.832 -0.858 17490 11778 1 19 . 1 1 102 102 ARG HA H 392 3.971 3.971 4.150 -0.179 17490 11779 1 19 . 1 1 102 102 ARG C C 392 178.433 178.433 179.216 -0.783 17490 11780 1 19 . 1 1 102 102 ARG CA C 392 59.485 59.485 58.826 0.659 17490 11781 1 19 . 1 1 102 102 ARG CB C 392 30.282 30.282 29.899 0.383 17490 11782 1 19 . 1 1 102 102 ARG H H 392 8.088 8.088 7.933 0.155 17490 11783 1 19 . 1 1 103 103 TYR N N 393 119.904 119.904 119.528 0.376 17490 11784 1 19 . 1 1 103 103 TYR HA H 393 4.017 4.017 4.233 -0.216 17490 11785 1 19 . 1 1 103 103 TYR C C 393 177.819 177.819 178.598 -0.779 17490 11786 1 19 . 1 1 103 103 TYR CA C 393 61.926 61.926 59.167 2.759 17490 11787 1 19 . 1 1 103 103 TYR CB C 393 39.373 39.373 37.390 1.983 17490 11788 1 19 . 1 1 103 103 TYR H H 393 8.058 8.058 7.940 0.118 17490 11789 1 19 . 1 1 104 104 TYR N N 394 119.418 119.418 121.510 -2.092 17490 11790 1 19 . 1 1 104 104 TYR HA H 394 4.167 4.167 4.610 -0.443 17490 11791 1 19 . 1 1 104 104 TYR C C 394 177.920 177.920 177.321 0.599 17490 11792 1 19 . 1 1 104 104 TYR CA C 394 61.764 61.764 60.172 1.592 17490 11793 1 19 . 1 1 104 104 TYR CB C 394 39.162 39.162 38.475 0.687 17490 11794 1 19 . 1 1 104 104 TYR H H 394 7.846 7.846 8.730 -0.884 17490 11795 1 19 . 1 1 105 105 ASN N N 395 117.373 117.373 118.213 -0.840 17490 11796 1 19 . 1 1 105 105 ASN HA H 395 4.414 4.414 3.966 0.448 17490 11797 1 19 . 1 1 105 105 ASN C C 395 176.906 176.906 177.485 -0.579 17490 11798 1 19 . 1 1 105 105 ASN CA C 395 55.691 55.691 56.772 -1.081 17490 11799 1 19 . 1 1 105 105 ASN CB C 395 38.472 38.472 38.049 0.423 17490 11800 1 19 . 1 1 105 105 ASN H H 395 8.499 8.499 8.207 0.292 17490 11801 1 19 . 1 1 106 106 ASN N N 396 118.101 118.101 118.053 0.048 17490 11802 1 19 . 1 1 106 106 ASN HA H 396 4.531 4.531 4.513 0.018 17490 11803 1 19 . 1 1 106 106 ASN C C 396 176.450 176.450 177.443 -0.993 17490 11804 1 19 . 1 1 106 106 ASN CA C 396 54.775 54.775 55.611 -0.836 17490 11805 1 19 . 1 1 106 106 ASN CB C 396 38.543 38.543 38.413 0.129 17490 11806 1 19 . 1 1 106 106 ASN H H 396 8.081 8.081 8.044 0.037 17490 11807 1 19 . 1 1 107 107 GLN N N 397 118.903 118.903 119.197 -0.294 17490 11808 1 19 . 1 1 107 107 GLN HA H 397 3.977 3.977 4.190 -0.213 17490 11809 1 19 . 1 1 107 107 GLN C C 397 176.907 176.907 177.991 -1.084 17490 11810 1 19 . 1 1 107 107 GLN CA C 397 56.815 56.815 58.257 -1.442 17490 11811 1 19 . 1 1 107 107 GLN CB C 397 28.610 28.610 28.858 -0.248 17490 11812 1 19 . 1 1 107 107 GLN H H 397 7.772 7.772 8.090 -0.318 17490 11813 1 19 . 1 1 108 108 GLN N N 398 118.101 118.101 117.056 1.045 17490 11814 1 19 . 1 1 108 108 GLN HA H 398 3.920 3.920 4.101 -0.181 17490 11815 1 19 . 1 1 108 108 GLN C C 398 176.321 176.321 176.758 -0.437 17490 11816 1 19 . 1 1 108 108 GLN CA C 398 56.554 56.554 57.479 -0.925 17490 11817 1 19 . 1 1 108 108 GLN CB C 398 28.650 28.650 29.061 -0.411 17490 11818 1 19 . 1 1 108 108 GLN H H 398 7.854 7.854 8.194 -0.340 17490 11819 1 20 . 1 1 3 3 LEU N N 293 125.082 125.082 128.271 -3.189 17490 11820 1 20 . 1 1 3 3 LEU HA H 293 4.292 4.292 4.707 -0.415 17490 11821 1 20 . 1 1 3 3 LEU C C 293 177.442 177.442 176.621 0.821 17490 11822 1 20 . 1 1 3 3 LEU CA C 293 55.523 55.523 54.118 1.405 17490 11823 1 20 . 1 1 3 3 LEU CB C 293 42.516 42.516 45.125 -2.609 17490 11824 1 20 . 1 1 3 3 LEU H H 293 8.321 8.321 8.157 0.164 17490 11825 1 20 . 1 1 4 4 GLU N N 294 122.906 122.906 123.600 -0.694 17490 11826 1 20 . 1 1 4 4 GLU HA H 294 4.069 4.069 3.813 0.256 17490 11827 1 20 . 1 1 4 4 GLU C C 294 177.158 177.158 178.226 -1.068 17490 11828 1 20 . 1 1 4 4 GLU CA C 294 58.307 58.307 59.452 -1.145 17490 11829 1 20 . 1 1 4 4 GLU CB C 294 29.676 29.676 29.366 0.310 17490 11830 1 20 . 1 1 4 4 GLU H H 294 8.521 8.521 8.824 -0.303 17490 11831 1 20 . 1 1 5 5 ARG N N 295 120.270 120.270 118.176 2.094 17490 11832 1 20 . 1 1 5 5 ARG HA H 295 4.131 4.131 3.973 0.158 17490 11833 1 20 . 1 1 5 5 ARG C C 295 177.768 177.768 178.705 -0.937 17490 11834 1 20 . 1 1 5 5 ARG CA C 295 58.082 58.082 59.505 -1.423 17490 11835 1 20 . 1 1 5 5 ARG CB C 295 30.192 30.192 29.868 0.324 17490 11836 1 20 . 1 1 5 5 ARG H H 295 8.327 8.327 8.492 -0.165 17490 11837 1 20 . 1 1 6 6 ASN N N 296 118.639 118.639 118.496 0.143 17490 11838 1 20 . 1 1 6 6 ASN HA H 296 4.554 4.554 4.493 0.061 17490 11839 1 20 . 1 1 6 6 ASN C C 296 176.830 176.830 176.731 0.099 17490 11840 1 20 . 1 1 6 6 ASN CA C 296 54.901 54.901 56.337 -1.436 17490 11841 1 20 . 1 1 6 6 ASN CB C 296 38.115 38.115 38.685 -0.570 17490 11842 1 20 . 1 1 6 6 ASN H H 296 8.257 8.257 7.945 0.312 17490 11843 1 20 . 1 1 7 7 GLU N N 297 123.935 123.935 121.303 2.632 17490 11844 1 20 . 1 1 7 7 GLU HA H 297 4.266 4.266 3.929 0.337 17490 11845 1 20 . 1 1 7 7 GLU C C 297 178.102 178.102 179.108 -1.006 17490 11846 1 20 . 1 1 7 7 GLU CA C 297 58.897 58.897 59.527 -0.630 17490 11847 1 20 . 1 1 7 7 GLU CB C 297 29.814 29.814 29.442 0.372 17490 11848 1 20 . 1 1 7 7 GLU H H 297 8.185 8.185 8.113 0.072 17490 11849 1 20 . 1 1 8 8 VAL N N 298 118.916 118.916 119.578 -0.662 17490 11850 1 20 . 1 1 8 8 VAL HA H 298 3.399 3.399 3.542 -0.143 17490 11851 1 20 . 1 1 8 8 VAL C C 298 177.131 177.131 177.804 -0.673 17490 11852 1 20 . 1 1 8 8 VAL CA C 298 67.619 67.619 67.011 0.608 17490 11853 1 20 . 1 1 8 8 VAL CB C 298 32.041 32.041 31.510 0.531 17490 11854 1 20 . 1 1 8 8 VAL H H 298 8.095 8.095 8.722 -0.627 17490 11855 1 20 . 1 1 9 9 LYS N N 299 117.791 117.791 119.792 -2.001 17490 11856 1 20 . 1 1 9 9 LYS HA H 299 3.804 3.804 4.038 -0.234 17490 11857 1 20 . 1 1 9 9 LYS C C 299 179.259 179.259 178.976 0.283 17490 11858 1 20 . 1 1 9 9 LYS CA C 299 59.806 59.806 59.301 0.505 17490 11859 1 20 . 1 1 9 9 LYS CB C 299 32.290 32.290 32.051 0.239 17490 11860 1 20 . 1 1 9 9 LYS H H 299 7.771 7.771 7.524 0.247 17490 11861 1 20 . 1 1 10 10 ARG N N 300 119.032 119.032 119.348 -0.316 17490 11862 1 20 . 1 1 10 10 ARG HA H 300 3.934 3.934 4.126 -0.192 17490 11863 1 20 . 1 1 10 10 ARG C C 300 179.680 179.680 179.088 0.592 17490 11864 1 20 . 1 1 10 10 ARG CA C 300 59.444 59.444 58.368 1.076 17490 11865 1 20 . 1 1 10 10 ARG CB C 300 30.190 30.190 29.876 0.314 17490 11866 1 20 . 1 1 10 10 ARG H H 300 7.834 7.834 8.236 -0.402 17490 11867 1 20 . 1 1 11 11 LEU N N 301 120.881 120.881 119.359 1.522 17490 11868 1 20 . 1 1 11 11 LEU HA H 301 3.890 3.890 4.168 -0.278 17490 11869 1 20 . 1 1 11 11 LEU C C 301 178.937 178.937 177.844 1.093 17490 11870 1 20 . 1 1 11 11 LEU CA C 301 58.067 58.067 56.703 1.364 17490 11871 1 20 . 1 1 11 11 LEU CB C 301 42.051 42.051 41.948 0.103 17490 11872 1 20 . 1 1 11 11 LEU H H 301 8.147 8.147 7.972 0.175 17490 11873 1 20 . 1 1 12 12 LEU N N 302 116.294 116.294 117.789 -1.495 17490 11874 1 20 . 1 1 12 12 LEU HA H 302 3.874 3.874 4.081 -0.207 17490 11875 1 20 . 1 1 12 12 LEU C C 302 177.360 177.360 178.510 -1.150 17490 11876 1 20 . 1 1 12 12 LEU CA C 302 57.498 57.498 56.871 0.627 17490 11877 1 20 . 1 1 12 12 LEU CB C 302 41.506 41.506 42.277 -0.771 17490 11878 1 20 . 1 1 12 12 LEU H H 302 8.331 8.331 7.604 0.727 17490 11879 1 20 . 1 1 13 13 ALA N N 303 117.998 117.998 119.952 -1.954 17490 11880 1 20 . 1 1 13 13 ALA HA H 303 4.480 4.480 4.316 0.164 17490 11881 1 20 . 1 1 13 13 ALA C C 303 177.554 177.554 177.903 -0.349 17490 11882 1 20 . 1 1 13 13 ALA CA C 303 51.290 51.290 52.627 -1.337 17490 11883 1 20 . 1 1 13 13 ALA CB C 303 19.810 19.810 19.746 0.064 17490 11884 1 20 . 1 1 13 13 ALA H H 303 7.109 7.109 7.702 -0.593 17490 11885 1 20 . 1 1 14 14 SER N N 304 114.833 114.833 114.079 0.754 17490 11886 1 20 . 1 1 14 14 SER HA H 304 4.175 4.175 4.206 -0.031 17490 11887 1 20 . 1 1 14 14 SER C C 304 175.762 175.762 175.007 0.755 17490 11888 1 20 . 1 1 14 14 SER CA C 304 59.344 59.344 59.530 -0.186 17490 11889 1 20 . 1 1 14 14 SER CB C 304 63.704 63.704 63.734 -0.031 17490 11890 1 20 . 1 1 14 14 SER H H 304 7.265 7.265 7.788 -0.523 17490 11891 1 20 . 1 1 15 15 ARG N N 305 125.370 125.370 124.749 0.621 17490 11892 1 20 . 1 1 15 15 ARG HA H 305 4.555 4.555 4.281 0.274 17490 11893 1 20 . 1 1 15 15 ARG C C 305 175.442 175.442 176.316 -0.874 17490 11894 1 20 . 1 1 15 15 ARG CA C 305 54.847 54.847 56.459 -1.612 17490 11895 1 20 . 1 1 15 15 ARG CB C 305 30.415 30.415 30.516 -0.101 17490 11896 1 20 . 1 1 15 15 ARG H H 305 8.872 8.872 8.514 0.358 17490 11897 1 20 . 1 1 16 16 ASN N N 306 120.536 120.536 119.491 1.045 17490 11898 1 20 . 1 1 16 16 ASN HA H 306 4.774 4.774 4.616 0.158 17490 11899 1 20 . 1 1 16 16 ASN C C 306 175.146 175.146 176.306 -1.160 17490 11900 1 20 . 1 1 16 16 ASN CA C 306 52.434 52.434 53.598 -1.164 17490 11901 1 20 . 1 1 16 16 ASN CB C 306 38.294 38.294 38.240 0.054 17490 11902 1 20 . 1 1 16 16 ASN H H 306 8.367 8.367 8.371 -0.004 17490 11903 1 20 . 1 1 17 17 SER N N 307 121.694 121.694 123.078 -1.384 17490 11904 1 20 . 1 1 17 17 SER HA H 307 4.090 4.090 4.292 -0.202 17490 11905 1 20 . 1 1 17 17 SER C C 307 175.970 175.970 174.984 0.986 17490 11906 1 20 . 1 1 17 17 SER CA C 307 61.484 61.484 60.382 1.102 17490 11907 1 20 . 1 1 17 17 SER CB C 307 62.850 62.850 63.038 -0.188 17490 11908 1 20 . 1 1 17 17 SER H H 307 8.656 8.656 8.820 -0.164 17490 11909 1 20 . 1 1 18 18 LYS N N 308 120.961 120.961 122.158 -1.197 17490 11910 1 20 . 1 1 18 18 LYS HA H 308 4.115 4.115 4.326 -0.211 17490 11911 1 20 . 1 1 18 18 LYS C C 308 178.999 178.999 178.057 0.942 17490 11912 1 20 . 1 1 18 18 LYS CA C 308 58.606 58.606 58.671 -0.065 17490 11913 1 20 . 1 1 18 18 LYS CB C 308 31.614 31.614 32.319 -0.705 17490 11914 1 20 . 1 1 18 18 LYS H H 308 8.060 8.060 7.708 0.352 17490 11915 1 20 . 1 1 19 19 GLU N N 309 118.377 118.377 120.543 -2.166 17490 11916 1 20 . 1 1 19 19 GLU HA H 309 4.198 4.198 4.165 0.033 17490 11917 1 20 . 1 1 19 19 GLU C C 309 178.136 178.136 178.506 -0.370 17490 11918 1 20 . 1 1 19 19 GLU CA C 309 57.939 57.939 59.285 -1.346 17490 11919 1 20 . 1 1 19 19 GLU CB C 309 30.115 30.115 29.529 0.586 17490 11920 1 20 . 1 1 19 19 GLU H H 309 7.520 7.520 7.706 -0.186 17490 11921 1 20 . 1 1 20 20 LEU N N 310 118.101 118.101 117.130 0.971 17490 11922 1 20 . 1 1 20 20 LEU HA H 310 4.168 4.168 4.123 0.045 17490 11923 1 20 . 1 1 20 20 LEU C C 310 179.112 179.112 178.259 0.853 17490 11924 1 20 . 1 1 20 20 LEU CA C 310 56.583 56.583 57.506 -0.923 17490 11925 1 20 . 1 1 20 20 LEU CB C 310 41.611 41.611 41.597 0.014 17490 11926 1 20 . 1 1 20 20 LEU H H 310 7.741 7.741 7.627 0.114 17490 11927 1 20 . 1 1 21 21 GLU N N 311 116.130 116.130 118.468 -2.338 17490 11928 1 20 . 1 1 21 21 GLU HA H 311 4.342 4.342 4.115 0.227 17490 11929 1 20 . 1 1 21 21 GLU C C 311 176.928 176.928 178.717 -1.789 17490 11930 1 20 . 1 1 21 21 GLU CA C 311 58.216 58.216 58.496 -0.280 17490 11931 1 20 . 1 1 21 21 GLU CB C 311 29.608 29.608 29.528 0.080 17490 11932 1 20 . 1 1 21 21 GLU H H 311 7.747 7.747 7.597 0.150 17490 11933 1 20 . 1 1 22 22 THR N N 312 106.131 106.131 117.288 -11.157 17490 11934 1 20 . 1 1 22 22 THR HA H 312 4.182 4.182 4.191 -0.009 17490 11935 1 20 . 1 1 22 22 THR C C 312 172.032 172.032 176.230 -4.198 17490 11936 1 20 . 1 1 22 22 THR CA C 312 61.539 61.539 65.532 -3.993 17490 11937 1 20 . 1 1 22 22 THR CB C 312 69.426 69.426 68.883 0.543 17490 11938 1 20 . 1 1 22 22 THR H H 312 7.446 7.446 7.945 -0.499 17490 11939 1 20 . 1 1 23 23 LEU N N 313 120.178 120.178 117.673 2.505 17490 11940 1 20 . 1 1 23 23 LEU HA H 313 5.869 5.869 4.912 0.957 17490 11941 1 20 . 1 1 23 23 LEU C C 313 175.604 175.604 175.314 0.290 17490 11942 1 20 . 1 1 23 23 LEU CA C 313 52.838 52.838 54.064 -1.226 17490 11943 1 20 . 1 1 23 23 LEU CB C 313 46.851 46.851 44.718 2.134 17490 11944 1 20 . 1 1 23 23 LEU H H 313 7.538 7.538 7.749 -0.211 17490 11945 1 20 . 1 1 24 24 ILE N N 314 113.990 113.990 109.890 4.100 17490 11946 1 20 . 1 1 24 24 ILE HA H 314 4.717 4.717 4.586 0.131 17490 11947 1 20 . 1 1 24 24 ILE C C 314 173.530 173.530 173.648 -0.118 17490 11948 1 20 . 1 1 24 24 ILE CA C 314 59.368 59.368 59.388 -0.020 17490 11949 1 20 . 1 1 24 24 ILE CB C 314 42.319 42.319 41.729 0.590 17490 11950 1 20 . 1 1 24 24 ILE H H 314 8.904 8.904 8.215 0.689 17490 11951 1 20 . 1 1 25 25 CYS N N 315 117.755 117.755 118.869 -1.114 17490 11952 1 20 . 1 1 25 25 CYS HA H 315 5.914 5.914 5.349 0.565 17490 11953 1 20 . 1 1 25 25 CYS C C 315 174.153 174.153 174.805 -0.652 17490 11954 1 20 . 1 1 25 25 CYS CA C 315 57.187 57.187 57.445 -0.258 17490 11955 1 20 . 1 1 25 25 CYS CB C 315 31.754 31.754 28.373 3.381 17490 11956 1 20 . 1 1 25 25 CYS H H 315 9.021 9.021 8.847 0.174 17490 11957 1 20 . 1 1 26 26 LEU N N 316 119.952 119.952 122.313 -2.361 17490 11958 1 20 . 1 1 26 26 LEU HA H 316 5.363 5.363 5.071 0.292 17490 11959 1 20 . 1 1 26 26 LEU C C 316 176.015 176.015 175.412 0.603 17490 11960 1 20 . 1 1 26 26 LEU CA C 316 53.072 53.072 53.324 -0.252 17490 11961 1 20 . 1 1 26 26 LEU CB C 316 45.891 45.891 43.398 2.493 17490 11962 1 20 . 1 1 26 26 LEU H H 316 8.778 8.778 8.618 0.160 17490 11963 1 20 . 1 1 27 27 PHE N N 317 116.116 116.116 121.052 -4.936 17490 11964 1 20 . 1 1 27 27 PHE HA H 317 4.158 4.158 5.099 -0.941 17490 11965 1 20 . 1 1 27 27 PHE CA C 317 55.594 55.594 54.080 1.514 17490 11966 1 20 . 1 1 27 27 PHE CB C 317 37.765 37.765 39.239 -1.474 17490 11967 1 20 . 1 1 27 27 PHE H H 317 7.827 7.827 8.938 -1.111 17490 11968 1 20 . 1 1 28 28 PRO HA H 318 5.322 5.322 4.694 0.628 17490 11969 1 20 . 1 1 28 28 PRO C C 318 175.163 175.163 175.382 -0.219 17490 11970 1 20 . 1 1 28 28 PRO CA C 318 61.657 61.657 62.618 -0.961 17490 11971 1 20 . 1 1 28 28 PRO CB C 318 34.356 34.356 32.535 1.821 17490 11972 1 20 . 1 1 29 29 LEU N N 319 120.206 120.206 115.753 4.453 17490 11973 1 20 . 1 1 29 29 LEU HA H 319 4.674 4.674 4.670 0.004 17490 11974 1 20 . 1 1 29 29 LEU C C 319 176.806 176.806 176.441 0.365 17490 11975 1 20 . 1 1 29 29 LEU CA C 319 52.817 52.817 54.227 -1.410 17490 11976 1 20 . 1 1 29 29 LEU CB C 319 45.029 45.029 42.548 2.481 17490 11977 1 20 . 1 1 29 29 LEU H H 319 8.365 8.365 7.594 0.771 17490 11978 1 20 . 1 1 30 30 SER N N 320 117.220 117.220 115.268 1.952 17490 11979 1 20 . 1 1 30 30 SER HA H 320 4.475 4.475 4.754 -0.279 17490 11980 1 20 . 1 1 30 30 SER C C 320 174.677 174.677 175.005 -0.328 17490 11981 1 20 . 1 1 30 30 SER CA C 320 57.768 57.768 57.014 0.754 17490 11982 1 20 . 1 1 30 30 SER CB C 320 64.118 64.118 65.315 -1.197 17490 11983 1 20 . 1 1 30 30 SER H H 320 8.652 8.652 7.785 0.867 17490 11984 1 20 . 1 1 31 31 ASP N N 321 121.514 121.514 121.151 0.363 17490 11985 1 20 . 1 1 31 31 ASP HA H 321 4.471 4.471 4.511 -0.040 17490 11986 1 20 . 1 1 31 31 ASP C C 321 176.811 176.811 176.650 0.161 17490 11987 1 20 . 1 1 31 31 ASP CA C 321 55.388 55.388 56.354 -0.966 17490 11988 1 20 . 1 1 31 31 ASP CB C 321 40.060 40.060 41.057 -0.997 17490 11989 1 20 . 1 1 31 31 ASP H H 321 8.587 8.587 8.759 -0.172 17490 11990 1 20 . 1 1 32 32 LYS N N 322 117.990 117.990 117.374 0.616 17490 11991 1 20 . 1 1 32 32 LYS HA H 322 4.331 4.331 4.189 0.142 17490 11992 1 20 . 1 1 32 32 LYS C C 322 176.804 176.804 176.150 0.654 17490 11993 1 20 . 1 1 32 32 LYS CA C 322 55.545 55.545 56.363 -0.818 17490 11994 1 20 . 1 1 32 32 LYS CB C 322 31.942 31.942 32.538 -0.596 17490 11995 1 20 . 1 1 32 32 LYS H H 322 8.053 8.053 8.076 -0.023 17490 11996 1 20 . 1 1 33 33 VAL N N 323 119.570 119.570 117.931 1.639 17490 11997 1 20 . 1 1 33 33 VAL HA H 323 3.922 3.922 4.243 -0.321 17490 11998 1 20 . 1 1 33 33 VAL C C 323 173.362 173.362 175.035 -1.673 17490 11999 1 20 . 1 1 33 33 VAL CA C 323 63.294 63.294 59.727 3.567 17490 12000 1 20 . 1 1 33 33 VAL CB C 323 32.410 32.410 33.662 -1.252 17490 12001 1 20 . 1 1 33 33 VAL H H 323 7.333 7.333 7.454 -0.121 17490 12002 1 20 . 1 1 34 34 SER N N 324 118.908 118.908 115.679 3.229 17490 12003 1 20 . 1 1 34 34 SER HA H 324 5.104 5.104 4.837 0.267 17490 12004 1 20 . 1 1 34 34 SER CA C 324 55.114 55.114 54.319 0.795 17490 12005 1 20 . 1 1 34 34 SER CB C 324 64.522 64.522 65.226 -0.704 17490 12006 1 20 . 1 1 34 34 SER H H 324 7.099 7.099 8.132 -1.033 17490 12007 1 20 . 1 1 35 35 PRO HA H 325 4.038 4.038 4.265 -0.227 17490 12008 1 20 . 1 1 35 35 PRO C C 325 178.107 178.107 178.120 -0.013 17490 12009 1 20 . 1 1 35 35 PRO CA C 325 66.275 66.275 64.969 1.306 17490 12010 1 20 . 1 1 35 35 PRO CB C 325 31.873 31.873 31.940 -0.067 17490 12011 1 20 . 1 1 36 36 SER N N 326 111.480 111.480 115.186 -3.706 17490 12012 1 20 . 1 1 36 36 SER HA H 326 4.179 4.179 4.264 -0.085 17490 12013 1 20 . 1 1 36 36 SER C C 326 176.897 176.897 176.885 0.012 17490 12014 1 20 . 1 1 36 36 SER CA C 326 61.731 61.731 61.220 0.511 17490 12015 1 20 . 1 1 36 36 SER CB C 326 62.211 62.211 62.458 -0.247 17490 12016 1 20 . 1 1 36 36 SER H H 326 8.172 8.172 8.018 0.154 17490 12017 1 20 . 1 1 37 37 LEU N N 327 123.898 123.898 123.557 0.341 17490 12018 1 20 . 1 1 37 37 LEU HA H 327 4.311 4.311 4.084 0.227 17490 12019 1 20 . 1 1 37 37 LEU C C 327 180.292 180.292 178.799 1.493 17490 12020 1 20 . 1 1 37 37 LEU CA C 327 57.921 57.921 57.704 0.217 17490 12021 1 20 . 1 1 37 37 LEU CB C 327 42.694 42.694 41.617 1.077 17490 12022 1 20 . 1 1 37 37 LEU H H 327 7.751 7.751 7.977 -0.226 17490 12023 1 20 . 1 1 38 38 ILE N N 328 119.411 119.411 119.905 -0.494 17490 12024 1 20 . 1 1 38 38 ILE HA H 328 3.627 3.627 3.722 -0.095 17490 12025 1 20 . 1 1 38 38 ILE C C 328 176.884 176.884 177.722 -0.838 17490 12026 1 20 . 1 1 38 38 ILE CA C 328 65.153 65.153 65.306 -0.153 17490 12027 1 20 . 1 1 38 38 ILE CB C 328 37.446 37.446 38.097 -0.651 17490 12028 1 20 . 1 1 38 38 ILE H H 328 7.636 7.636 7.695 -0.059 17490 12029 1 20 . 1 1 39 39 CYS N N 329 120.430 120.430 118.057 2.373 17490 12030 1 20 . 1 1 39 39 CYS HA H 329 3.743 3.743 3.931 -0.188 17490 12031 1 20 . 1 1 39 39 CYS C C 329 176.205 176.205 176.982 -0.777 17490 12032 1 20 . 1 1 39 39 CYS CA C 329 63.564 63.564 63.895 -0.331 17490 12033 1 20 . 1 1 39 39 CYS CB C 329 26.285 26.285 27.577 -1.292 17490 12034 1 20 . 1 1 39 39 CYS H H 329 8.640 8.640 7.625 1.015 17490 12035 1 20 . 1 1 40 40 GLN N N 330 118.263 118.263 119.642 -1.379 17490 12036 1 20 . 1 1 40 40 GLN HA H 330 4.099 4.099 4.027 0.072 17490 12037 1 20 . 1 1 40 40 GLN C C 330 177.445 177.445 178.586 -1.141 17490 12038 1 20 . 1 1 40 40 GLN CA C 330 59.496 59.496 58.343 1.153 17490 12039 1 20 . 1 1 40 40 GLN CB C 330 28.469 28.469 27.970 0.499 17490 12040 1 20 . 1 1 40 40 GLN H H 330 8.213 8.213 8.057 0.156 17490 12041 1 20 . 1 1 41 41 PHE N N 331 121.411 121.411 120.727 0.684 17490 12042 1 20 . 1 1 41 41 PHE HA H 331 4.661 4.661 4.177 0.484 17490 12043 1 20 . 1 1 41 41 PHE C C 331 177.475 177.475 177.319 0.156 17490 12044 1 20 . 1 1 41 41 PHE CA C 331 60.181 60.181 61.006 -0.825 17490 12045 1 20 . 1 1 41 41 PHE CB C 331 39.561 39.561 38.886 0.675 17490 12046 1 20 . 1 1 41 41 PHE H H 331 7.806 7.806 8.484 -0.678 17490 12047 1 20 . 1 1 42 42 LEU N N 332 119.016 119.016 119.395 -0.379 17490 12048 1 20 . 1 1 42 42 LEU HA H 332 3.508 3.508 3.550 -0.042 17490 12049 1 20 . 1 1 42 42 LEU C C 332 178.495 178.495 179.221 -0.726 17490 12050 1 20 . 1 1 42 42 LEU CA C 332 57.545 57.545 57.683 -0.138 17490 12051 1 20 . 1 1 42 42 LEU CB C 332 40.880 40.880 41.478 -0.598 17490 12052 1 20 . 1 1 42 42 LEU H H 332 8.436 8.436 7.932 0.504 17490 12053 1 20 . 1 1 43 43 GLN N N 333 116.210 116.210 117.166 -0.956 17490 12054 1 20 . 1 1 43 43 GLN HA H 333 4.590 4.590 4.264 0.326 17490 12055 1 20 . 1 1 43 43 GLN C C 333 178.499 178.499 178.686 -0.187 17490 12056 1 20 . 1 1 43 43 GLN CA C 333 58.875 58.875 58.632 0.243 17490 12057 1 20 . 1 1 43 43 GLN CB C 333 30.846 30.846 28.497 2.349 17490 12058 1 20 . 1 1 43 43 GLN H H 333 8.236 8.236 8.307 -0.071 17490 12059 1 20 . 1 1 44 44 GLU N N 334 117.050 117.050 120.110 -3.060 17490 12060 1 20 . 1 1 44 44 GLU HA H 334 4.116 4.116 4.117 -0.001 17490 12061 1 20 . 1 1 44 44 GLU C C 334 177.407 177.407 177.560 -0.153 17490 12062 1 20 . 1 1 44 44 GLU CA C 334 58.756 58.756 59.149 -0.393 17490 12063 1 20 . 1 1 44 44 GLU CB C 334 30.518 30.518 29.831 0.687 17490 12064 1 20 . 1 1 44 44 GLU H H 334 8.926 8.926 8.183 0.743 17490 12065 1 20 . 1 1 45 45 GLU N N 335 114.950 114.950 116.686 -1.736 17490 12066 1 20 . 1 1 45 45 GLU HA H 335 4.354 4.354 3.995 0.359 17490 12067 1 20 . 1 1 45 45 GLU C C 335 176.873 176.873 178.603 -1.730 17490 12068 1 20 . 1 1 45 45 GLU CA C 335 57.018 57.018 57.585 -0.567 17490 12069 1 20 . 1 1 45 45 GLU CB C 335 29.537 29.537 30.107 -0.570 17490 12070 1 20 . 1 1 45 45 GLU H H 335 8.054 8.054 7.819 0.235 17490 12071 1 20 . 1 1 46 46 ILE N N 336 115.649 115.649 116.374 -0.725 17490 12072 1 20 . 1 1 46 46 ILE HA H 336 3.895 3.895 4.051 -0.156 17490 12073 1 20 . 1 1 46 46 ILE C C 336 175.873 175.873 176.064 -0.191 17490 12074 1 20 . 1 1 46 46 ILE CA C 336 58.097 58.097 61.396 -3.299 17490 12075 1 20 . 1 1 46 46 ILE CB C 336 35.077 35.077 37.909 -2.832 17490 12076 1 20 . 1 1 46 46 ILE H H 336 6.749 6.749 7.464 -0.715 17490 12077 1 20 . 1 1 47 47 HIS N N 337 111.685 111.685 113.574 -1.889 17490 12078 1 20 . 1 1 47 47 HIS HA H 337 4.520 4.520 4.381 0.139 17490 12079 1 20 . 1 1 47 47 HIS C C 337 174.787 174.787 174.653 0.134 17490 12080 1 20 . 1 1 47 47 HIS CA C 337 56.387 56.387 56.232 0.155 17490 12081 1 20 . 1 1 47 47 HIS CB C 337 24.947 24.947 26.979 -2.032 17490 12082 1 20 . 1 1 47 47 HIS H H 337 6.652 6.652 7.490 -0.838 17490 12083 1 20 . 1 1 48 48 ILE N N 338 118.069 118.069 119.782 -1.713 17490 12084 1 20 . 1 1 48 48 ILE HA H 338 4.433 4.433 4.022 0.411 17490 12085 1 20 . 1 1 48 48 ILE C C 338 175.031 175.031 175.479 -0.448 17490 12086 1 20 . 1 1 48 48 ILE CA C 338 60.737 60.737 63.056 -2.319 17490 12087 1 20 . 1 1 48 48 ILE CB C 338 38.861 38.861 38.456 0.405 17490 12088 1 20 . 1 1 48 48 ILE H H 338 7.963 7.963 7.502 0.461 17490 12089 1 20 . 1 1 49 49 ASN N N 339 123.991 123.991 123.178 0.813 17490 12090 1 20 . 1 1 49 49 ASN HA H 339 4.691 4.691 4.949 -0.258 17490 12091 1 20 . 1 1 49 49 ASN C C 339 176.381 176.381 176.024 0.357 17490 12092 1 20 . 1 1 49 49 ASN CA C 339 53.296 53.296 50.872 2.424 17490 12093 1 20 . 1 1 49 49 ASN CB C 339 40.570 40.570 39.921 0.649 17490 12094 1 20 . 1 1 49 49 ASN H H 339 9.222 9.222 7.826 1.396 17490 12095 1 20 . 1 1 50 50 GLU N N 340 125.549 125.549 119.597 5.952 17490 12096 1 20 . 1 1 50 50 GLU HA H 340 3.792 3.792 3.832 -0.040 17490 12097 1 20 . 1 1 50 50 GLU C C 340 177.988 177.988 177.094 0.894 17490 12098 1 20 . 1 1 50 50 GLU CA C 340 59.807 59.807 59.699 0.108 17490 12099 1 20 . 1 1 50 50 GLU CB C 340 29.143 29.143 29.202 -0.059 17490 12100 1 20 . 1 1 50 50 GLU H H 340 8.971 8.971 8.907 0.064 17490 12101 1 20 . 1 1 51 51 LYS N N 341 116.019 116.019 115.700 0.319 17490 12102 1 20 . 1 1 51 51 LYS HA H 341 4.117 4.117 4.166 -0.049 17490 12103 1 20 . 1 1 51 51 LYS C C 341 177.283 177.283 178.312 -1.029 17490 12104 1 20 . 1 1 51 51 LYS CA C 341 57.718 57.718 58.048 -0.330 17490 12105 1 20 . 1 1 51 51 LYS CB C 341 31.650 31.650 32.112 -0.462 17490 12106 1 20 . 1 1 51 51 LYS H H 341 8.424 8.424 7.775 0.649 17490 12107 1 20 . 1 1 52 52 ASP N N 342 117.576 117.576 119.608 -2.032 17490 12108 1 20 . 1 1 52 52 ASP HA H 342 4.444 4.444 4.633 -0.189 17490 12109 1 20 . 1 1 52 52 ASP C C 342 175.454 175.454 175.853 -0.399 17490 12110 1 20 . 1 1 52 52 ASP CA C 342 56.002 56.002 56.630 -0.628 17490 12111 1 20 . 1 1 52 52 ASP CB C 342 41.937 41.937 41.967 -0.030 17490 12112 1 20 . 1 1 52 52 ASP H H 342 7.908 7.908 8.763 -0.855 17490 12113 1 20 . 1 1 53 53 ILE N N 343 120.515 120.515 118.506 2.009 17490 12114 1 20 . 1 1 53 53 ILE HA H 343 3.875 3.875 4.319 -0.444 17490 12115 1 20 . 1 1 53 53 ILE C C 343 174.966 174.966 175.053 -0.087 17490 12116 1 20 . 1 1 53 53 ILE CA C 343 61.101 61.101 58.631 2.470 17490 12117 1 20 . 1 1 53 53 ILE CB C 343 39.931 39.931 38.625 1.306 17490 12118 1 20 . 1 1 53 53 ILE H H 343 7.480 7.480 7.484 -0.004 17490 12119 1 20 . 1 1 54 54 ARG N N 344 125.353 125.353 126.755 -1.402 17490 12120 1 20 . 1 1 54 54 ARG HA H 344 4.291 4.291 4.232 0.059 17490 12121 1 20 . 1 1 54 54 ARG C C 344 176.642 176.642 176.658 -0.016 17490 12122 1 20 . 1 1 54 54 ARG CA C 344 57.550 57.550 57.610 -0.060 17490 12123 1 20 . 1 1 54 54 ARG CB C 344 30.848 30.848 31.477 -0.629 17490 12124 1 20 . 1 1 54 54 ARG H H 344 9.063 9.063 9.067 -0.004 17490 12125 1 20 . 1 1 55 55 LYS N N 345 116.212 116.212 116.234 -0.022 17490 12126 1 20 . 1 1 55 55 LYS HA H 345 4.417 4.417 4.387 0.030 17490 12127 1 20 . 1 1 55 55 LYS C C 345 173.004 173.004 174.063 -1.059 17490 12128 1 20 . 1 1 55 55 LYS CA C 345 55.873 55.873 56.054 -0.181 17490 12129 1 20 . 1 1 55 55 LYS CB C 345 36.582 36.582 35.495 1.087 17490 12130 1 20 . 1 1 55 55 LYS H H 345 7.569 7.569 7.640 -0.071 17490 12131 1 20 . 1 1 56 56 ILE N N 346 122.685 122.685 123.182 -0.497 17490 12132 1 20 . 1 1 56 56 ILE HA H 346 4.731 4.731 4.350 0.381 17490 12133 1 20 . 1 1 56 56 ILE C C 346 174.163 174.163 174.829 -0.666 17490 12134 1 20 . 1 1 56 56 ILE CA C 346 60.843 60.843 60.299 0.544 17490 12135 1 20 . 1 1 56 56 ILE CB C 346 40.816 40.816 38.856 1.960 17490 12136 1 20 . 1 1 56 56 ILE H H 346 8.229 8.229 8.363 -0.134 17490 12137 1 20 . 1 1 57 57 LEU N N 347 126.095 126.095 128.190 -2.095 17490 12138 1 20 . 1 1 57 57 LEU HA H 347 4.775 4.775 4.706 0.069 17490 12139 1 20 . 1 1 57 57 LEU C C 347 175.764 175.764 175.215 0.549 17490 12140 1 20 . 1 1 57 57 LEU CA C 347 52.746 52.746 53.743 -0.997 17490 12141 1 20 . 1 1 57 57 LEU CB C 347 45.364 45.364 43.596 1.768 17490 12142 1 20 . 1 1 57 57 LEU H H 347 9.279 9.279 8.508 0.771 17490 12143 1 20 . 1 1 58 58 LEU N N 348 122.946 122.946 123.598 -0.652 17490 12144 1 20 . 1 1 58 58 LEU HA H 348 4.338 4.338 4.453 -0.115 17490 12145 1 20 . 1 1 58 58 LEU C C 348 176.476 176.476 176.600 -0.124 17490 12146 1 20 . 1 1 58 58 LEU CA C 348 55.221 55.221 54.369 0.852 17490 12147 1 20 . 1 1 58 58 LEU CB C 348 41.496 41.496 42.154 -0.659 17490 12148 1 20 . 1 1 58 58 LEU H H 348 8.925 8.925 8.542 0.383 17490 12149 1 20 . 1 1 59 59 VAL N N 349 123.378 123.378 126.655 -3.277 17490 12150 1 20 . 1 1 59 59 VAL HA H 349 4.385 4.385 4.344 0.041 17490 12151 1 20 . 1 1 59 59 VAL C C 349 176.335 176.335 175.023 1.312 17490 12152 1 20 . 1 1 59 59 VAL CA C 349 59.595 59.595 62.082 -2.487 17490 12153 1 20 . 1 1 59 59 VAL CB C 349 31.100 31.100 30.940 0.160 17490 12154 1 20 . 1 1 59 59 VAL H H 349 8.637 8.637 8.325 0.312 17490 12155 1 20 . 1 1 60 60 SER N N 350 124.152 124.152 119.633 4.519 17490 12156 1 20 . 1 1 60 60 SER HA H 350 3.907 3.907 4.518 -0.611 17490 12157 1 20 . 1 1 60 60 SER C C 350 177.518 177.518 174.180 3.338 17490 12158 1 20 . 1 1 60 60 SER CA C 350 62.261 62.261 59.508 2.753 17490 12159 1 20 . 1 1 60 60 SER CB C 350 62.301 62.301 63.525 -1.224 17490 12160 1 20 . 1 1 60 60 SER H H 350 8.755 8.755 8.432 0.323 17490 12161 1 20 . 1 1 61 61 ASP N N 351 119.224 119.224 120.246 -1.022 17490 12162 1 20 . 1 1 61 61 ASP HA H 351 3.964 3.964 4.293 -0.329 17490 12163 1 20 . 1 1 61 61 ASP C C 351 174.721 174.721 173.910 0.811 17490 12164 1 20 . 1 1 61 61 ASP CA C 351 56.162 56.162 54.062 2.100 17490 12165 1 20 . 1 1 61 61 ASP CB C 351 40.102 40.102 40.137 -0.035 17490 12166 1 20 . 1 1 61 61 ASP H H 351 9.011 9.011 8.132 0.879 17490 12167 1 20 . 1 1 62 62 PHE N N 352 110.179 110.179 112.195 -2.016 17490 12168 1 20 . 1 1 62 62 PHE HA H 352 3.983 3.983 4.112 -0.129 17490 12169 1 20 . 1 1 62 62 PHE C C 352 173.268 173.268 172.978 0.290 17490 12170 1 20 . 1 1 62 62 PHE CA C 352 56.221 56.221 55.418 0.803 17490 12171 1 20 . 1 1 62 62 PHE CB C 352 39.789 39.789 36.780 3.009 17490 12172 1 20 . 1 1 62 62 PHE H H 352 6.702 6.702 7.196 -0.494 17490 12173 1 20 . 1 1 63 63 ASN N N 353 114.980 114.980 118.078 -3.098 17490 12174 1 20 . 1 1 63 63 ASN HA H 353 4.665 4.665 4.284 0.381 17490 12175 1 20 . 1 1 63 63 ASN C C 353 174.360 174.360 174.560 -0.200 17490 12176 1 20 . 1 1 63 63 ASN CA C 353 54.158 54.158 54.009 0.149 17490 12177 1 20 . 1 1 63 63 ASN CB C 353 37.889 37.889 37.134 0.755 17490 12178 1 20 . 1 1 63 63 ASN H H 353 7.708 7.708 8.157 -0.449 17490 12179 1 20 . 1 1 64 64 GLY N N 354 102.117 102.117 106.034 -3.917 17490 12180 1 20 . 1 1 64 64 GLY C C 354 173.093 173.093 171.627 1.466 17490 12181 1 20 . 1 1 64 64 GLY CA C 354 45.413 45.413 45.268 0.145 17490 12182 1 20 . 1 1 64 64 GLY H H 354 7.722 7.722 8.234 -0.512 17490 12183 1 20 . 1 1 65 65 ALA N N 355 120.262 120.262 122.173 -1.911 17490 12184 1 20 . 1 1 65 65 ALA HA H 355 5.055 5.055 4.849 0.206 17490 12185 1 20 . 1 1 65 65 ALA C C 355 174.731 174.731 175.480 -0.749 17490 12186 1 20 . 1 1 65 65 ALA CA C 355 51.429 51.429 51.033 0.396 17490 12187 1 20 . 1 1 65 65 ALA CB C 355 22.924 22.924 21.390 1.534 17490 12188 1 20 . 1 1 65 65 ALA H H 355 8.785 8.785 8.387 0.398 17490 12189 1 20 . 1 1 66 66 ILE N N 356 121.244 121.244 127.298 -6.054 17490 12190 1 20 . 1 1 66 66 ILE HA H 356 4.711 4.711 5.039 -0.328 17490 12191 1 20 . 1 1 66 66 ILE C C 356 174.154 174.154 173.657 0.497 17490 12192 1 20 . 1 1 66 66 ILE CA C 356 60.570 60.570 60.129 0.441 17490 12193 1 20 . 1 1 66 66 ILE CB C 356 41.943 41.943 39.593 2.350 17490 12194 1 20 . 1 1 66 66 ILE H H 356 9.390 9.390 8.176 1.214 17490 12195 1 20 . 1 1 67 67 ILE N N 357 127.255 127.255 129.217 -1.962 17490 12196 1 20 . 1 1 67 67 ILE HA H 357 4.433 4.433 4.764 -0.331 17490 12197 1 20 . 1 1 67 67 ILE C C 357 174.004 174.004 174.509 -0.505 17490 12198 1 20 . 1 1 67 67 ILE CA C 357 59.826 59.826 59.897 -0.071 17490 12199 1 20 . 1 1 67 67 ILE CB C 357 38.965 38.965 42.578 -3.613 17490 12200 1 20 . 1 1 67 67 ILE H H 357 9.291 9.291 8.632 0.659 17490 12201 1 20 . 1 1 68 68 ILE N N 358 124.623 124.623 126.071 -1.448 17490 12202 1 20 . 1 1 68 68 ILE HA H 358 4.293 4.293 4.415 -0.122 17490 12203 1 20 . 1 1 68 68 ILE C C 358 176.052 176.052 175.875 0.177 17490 12204 1 20 . 1 1 68 68 ILE CA C 358 61.079 61.079 60.523 0.556 17490 12205 1 20 . 1 1 68 68 ILE CB C 358 38.373 38.373 37.739 0.634 17490 12206 1 20 . 1 1 68 68 ILE H H 358 8.681 8.681 8.094 0.587 17490 12207 1 20 . 1 1 69 69 PHE N N 359 126.100 126.100 126.520 -0.420 17490 12208 1 20 . 1 1 69 69 PHE HA H 359 5.130 5.130 4.355 0.775 17490 12209 1 20 . 1 1 69 69 PHE C C 359 175.355 175.355 177.082 -1.727 17490 12210 1 20 . 1 1 69 69 PHE CA C 359 58.156 58.156 62.288 -4.132 17490 12211 1 20 . 1 1 69 69 PHE CB C 359 41.592 41.592 39.390 2.202 17490 12212 1 20 . 1 1 69 69 PHE H H 359 9.086 9.086 8.960 0.126 17490 12213 1 20 . 1 1 70 70 ARG N N 360 115.935 115.935 114.153 1.782 17490 12214 1 20 . 1 1 70 70 ARG HA H 360 4.068 4.068 4.480 -0.412 17490 12215 1 20 . 1 1 70 70 ARG C C 360 175.099 175.099 174.608 0.491 17490 12216 1 20 . 1 1 70 70 ARG CA C 360 58.594 58.594 56.602 1.992 17490 12217 1 20 . 1 1 70 70 ARG CB C 360 30.664 30.664 33.194 -2.530 17490 12218 1 20 . 1 1 70 70 ARG H H 360 8.268 8.268 8.594 -0.326 17490 12219 1 20 . 1 1 71 71 ASP N N 361 113.892 113.892 117.668 -3.776 17490 12220 1 20 . 1 1 71 71 ASP HA H 361 4.880 4.880 4.773 0.107 17490 12221 1 20 . 1 1 71 71 ASP C C 361 176.087 176.087 176.581 -0.494 17490 12222 1 20 . 1 1 71 71 ASP CA C 361 53.329 53.329 52.797 0.532 17490 12223 1 20 . 1 1 71 71 ASP CB C 361 44.131 44.131 43.586 0.545 17490 12224 1 20 . 1 1 71 71 ASP H H 361 7.673 7.673 7.908 -0.235 17490 12225 1 20 . 1 1 72 72 SER N N 362 118.590 118.590 118.855 -0.265 17490 12226 1 20 . 1 1 72 72 SER HA H 362 4.310 4.310 4.521 -0.211 17490 12227 1 20 . 1 1 72 72 SER C C 362 176.600 176.600 176.177 0.423 17490 12228 1 20 . 1 1 72 72 SER CA C 362 60.739 60.739 60.809 -0.070 17490 12229 1 20 . 1 1 72 72 SER CB C 362 62.872 62.872 63.363 -0.491 17490 12230 1 20 . 1 1 72 72 SER H H 362 9.103 9.103 8.804 0.299 17490 12231 1 20 . 1 1 73 73 LYS N N 363 125.872 125.872 121.995 3.877 17490 12232 1 20 . 1 1 73 73 LYS HA H 363 4.134 4.134 4.082 0.052 17490 12233 1 20 . 1 1 73 73 LYS C C 363 179.386 179.386 178.534 0.852 17490 12234 1 20 . 1 1 73 73 LYS CA C 363 59.283 59.283 58.854 0.429 17490 12235 1 20 . 1 1 73 73 LYS CB C 363 31.491 31.491 32.151 -0.660 17490 12236 1 20 . 1 1 73 73 LYS H H 363 8.332 8.332 8.169 0.163 17490 12237 1 20 . 1 1 74 74 PHE N N 364 123.145 123.145 119.603 3.542 17490 12238 1 20 . 1 1 74 74 PHE HA H 364 3.968 3.968 4.275 -0.307 17490 12239 1 20 . 1 1 74 74 PHE C C 364 177.819 177.819 176.658 1.161 17490 12240 1 20 . 1 1 74 74 PHE CA C 364 61.588 61.588 59.361 2.227 17490 12241 1 20 . 1 1 74 74 PHE CB C 364 39.963 39.963 38.739 1.224 17490 12242 1 20 . 1 1 74 74 PHE H H 364 8.482 8.482 7.620 0.862 17490 12243 1 20 . 1 1 75 75 ALA N N 365 119.451 119.451 122.306 -2.855 17490 12244 1 20 . 1 1 75 75 ALA HA H 365 3.396 3.396 3.566 -0.170 17490 12245 1 20 . 1 1 75 75 ALA C C 365 178.100 178.100 179.275 -1.175 17490 12246 1 20 . 1 1 75 75 ALA CA C 365 55.584 55.584 55.169 0.415 17490 12247 1 20 . 1 1 75 75 ALA CB C 365 18.265 18.265 17.984 0.281 17490 12248 1 20 . 1 1 75 75 ALA H H 365 7.835 7.835 7.879 -0.044 17490 12249 1 20 . 1 1 76 76 ALA N N 366 117.626 117.626 119.934 -2.308 17490 12250 1 20 . 1 1 76 76 ALA HA H 366 4.033 4.033 3.913 0.120 17490 12251 1 20 . 1 1 76 76 ALA C C 366 180.569 180.569 178.930 1.639 17490 12252 1 20 . 1 1 76 76 ALA CA C 366 54.996 54.996 54.892 0.104 17490 12253 1 20 . 1 1 76 76 ALA CB C 366 18.040 18.040 18.276 -0.235 17490 12254 1 20 . 1 1 76 76 ALA H H 366 7.680 7.680 7.647 0.033 17490 12255 1 20 . 1 1 77 77 LYS N N 367 118.273 118.273 119.888 -1.615 17490 12256 1 20 . 1 1 77 77 LYS HA H 367 3.998 3.998 4.024 -0.026 17490 12257 1 20 . 1 1 77 77 LYS C C 367 178.964 178.964 178.605 0.359 17490 12258 1 20 . 1 1 77 77 LYS CA C 367 58.803 58.803 59.071 -0.268 17490 12259 1 20 . 1 1 77 77 LYS CB C 367 32.106 32.106 32.448 -0.342 17490 12260 1 20 . 1 1 77 77 LYS H H 367 7.302 7.302 7.741 -0.439 17490 12261 1 20 . 1 1 78 78 MET N N 368 117.578 117.578 117.863 -0.285 17490 12262 1 20 . 1 1 78 78 MET HA H 368 4.273 4.273 4.243 0.030 17490 12263 1 20 . 1 1 78 78 MET C C 368 178.167 178.167 178.231 -0.064 17490 12264 1 20 . 1 1 78 78 MET CA C 368 55.734 55.734 55.379 0.355 17490 12265 1 20 . 1 1 78 78 MET CB C 368 32.382 32.382 31.540 0.842 17490 12266 1 20 . 1 1 78 78 MET H H 368 7.785 7.785 7.877 -0.092 17490 12267 1 20 . 1 1 79 79 LEU N N 369 120.984 120.984 123.054 -2.070 17490 12268 1 20 . 1 1 79 79 LEU HA H 369 3.786 3.786 3.998 -0.212 17490 12269 1 20 . 1 1 79 79 LEU C C 369 179.060 179.060 178.367 0.693 17490 12270 1 20 . 1 1 79 79 LEU CA C 369 59.377 59.377 58.758 0.619 17490 12271 1 20 . 1 1 79 79 LEU CB C 369 42.354 42.354 41.946 0.409 17490 12272 1 20 . 1 1 79 79 LEU H H 369 8.197 8.197 7.807 0.390 17490 12273 1 20 . 1 1 80 80 MET N N 370 114.071 114.071 115.205 -1.134 17490 12274 1 20 . 1 1 80 80 MET HA H 370 4.277 4.277 4.298 -0.021 17490 12275 1 20 . 1 1 80 80 MET C C 370 178.184 178.184 177.945 0.239 17490 12276 1 20 . 1 1 80 80 MET CA C 370 57.627 57.627 57.056 0.571 17490 12277 1 20 . 1 1 80 80 MET CB C 370 32.543 32.543 31.834 0.709 17490 12278 1 20 . 1 1 80 80 MET H H 370 7.018 7.018 7.858 -0.840 17490 12279 1 20 . 1 1 81 81 ILE N N 371 118.056 118.056 116.688 1.368 17490 12280 1 20 . 1 1 81 81 ILE HA H 371 3.885 3.885 4.019 -0.134 17490 12281 1 20 . 1 1 81 81 ILE C C 371 177.491 177.491 177.554 -0.063 17490 12282 1 20 . 1 1 81 81 ILE CA C 371 63.571 63.571 62.316 1.255 17490 12283 1 20 . 1 1 81 81 ILE CB C 371 38.716 38.716 37.827 0.889 17490 12284 1 20 . 1 1 81 81 ILE H H 371 7.615 7.615 7.812 -0.197 17490 12285 1 20 . 1 1 82 82 LEU N N 372 116.858 116.858 119.487 -2.629 17490 12286 1 20 . 1 1 82 82 LEU HA H 372 4.100 4.100 4.465 -0.365 17490 12287 1 20 . 1 1 82 82 LEU C C 372 178.360 178.360 176.400 1.960 17490 12288 1 20 . 1 1 82 82 LEU CA C 372 55.929 55.929 55.901 0.028 17490 12289 1 20 . 1 1 82 82 LEU CB C 372 42.309 42.309 43.316 -1.007 17490 12290 1 20 . 1 1 82 82 LEU H H 372 8.160 8.160 8.083 0.077 17490 12291 1 20 . 1 1 83 83 ASN N N 373 117.015 117.015 115.600 1.415 17490 12292 1 20 . 1 1 83 83 ASN HA H 373 4.348 4.348 4.666 -0.318 17490 12293 1 20 . 1 1 83 83 ASN C C 373 175.671 175.671 175.256 0.415 17490 12294 1 20 . 1 1 83 83 ASN CA C 373 55.793 55.793 54.809 0.984 17490 12295 1 20 . 1 1 83 83 ASN CB C 373 38.434 38.434 39.166 -0.732 17490 12296 1 20 . 1 1 83 83 ASN H H 373 7.058 7.058 7.955 -0.897 17490 12297 1 20 . 1 1 84 84 GLY N N 374 116.878 116.878 111.681 5.197 17490 12298 1 20 . 1 1 84 84 GLY C C 374 174.602 174.602 173.974 0.628 17490 12299 1 20 . 1 1 84 84 GLY CA C 374 45.842 45.842 45.089 0.753 17490 12300 1 20 . 1 1 84 84 GLY H H 374 9.053 9.053 8.763 0.290 17490 12301 1 20 . 1 1 85 85 SER N N 375 116.615 116.615 115.951 0.664 17490 12302 1 20 . 1 1 85 85 SER HA H 375 4.407 4.407 4.729 -0.322 17490 12303 1 20 . 1 1 85 85 SER C C 375 171.580 171.580 173.616 -2.036 17490 12304 1 20 . 1 1 85 85 SER CA C 375 59.280 59.280 57.248 2.032 17490 12305 1 20 . 1 1 85 85 SER CB C 375 64.303 64.303 65.267 -0.964 17490 12306 1 20 . 1 1 85 85 SER H H 375 7.666 7.666 8.246 -0.580 17490 12307 1 20 . 1 1 86 86 GLN N N 376 117.824 117.824 119.249 -1.425 17490 12308 1 20 . 1 1 86 86 GLN HA H 376 4.893 4.893 5.217 -0.324 17490 12309 1 20 . 1 1 86 86 GLN C C 376 175.033 175.033 174.607 0.426 17490 12310 1 20 . 1 1 86 86 GLN CA C 376 54.885 54.885 55.112 -0.227 17490 12311 1 20 . 1 1 86 86 GLN CB C 376 30.733 30.733 33.202 -2.469 17490 12312 1 20 . 1 1 86 86 GLN H H 376 8.381 8.381 8.329 0.052 17490 12313 1 20 . 1 1 87 87 PHE N N 377 124.095 124.095 123.831 0.264 17490 12314 1 20 . 1 1 87 87 PHE HA H 377 4.472 4.472 4.717 -0.245 17490 12315 1 20 . 1 1 87 87 PHE C C 377 174.760 174.760 174.250 0.510 17490 12316 1 20 . 1 1 87 87 PHE CA C 377 56.009 56.009 58.573 -2.564 17490 12317 1 20 . 1 1 87 87 PHE CB C 377 41.519 41.519 41.910 -0.391 17490 12318 1 20 . 1 1 87 87 PHE H H 377 8.974 8.974 9.066 -0.092 17490 12319 1 20 . 1 1 88 88 GLN N N 378 126.108 126.108 124.952 1.156 17490 12320 1 20 . 1 1 88 88 GLN HA H 378 3.505 3.505 3.751 -0.245 17490 12321 1 20 . 1 1 88 88 GLN C C 378 176.162 176.162 175.373 0.789 17490 12322 1 20 . 1 1 88 88 GLN CA C 378 56.570 56.570 56.700 -0.130 17490 12323 1 20 . 1 1 88 88 GLN CB C 378 26.070 26.070 27.006 -0.936 17490 12324 1 20 . 1 1 88 88 GLN H H 378 9.139 9.139 8.755 0.384 17490 12325 1 20 . 1 1 89 89 GLY N N 379 103.132 103.132 103.056 0.076 17490 12326 1 20 . 1 1 89 89 GLY C C 379 173.587 173.587 173.697 -0.110 17490 12327 1 20 . 1 1 89 89 GLY CA C 379 45.382 45.382 45.103 0.279 17490 12328 1 20 . 1 1 89 89 GLY H H 379 8.580 8.580 8.109 0.471 17490 12329 1 20 . 1 1 90 90 LYS N N 380 119.783 119.783 119.362 0.421 17490 12330 1 20 . 1 1 90 90 LYS HA H 380 4.697 4.697 4.706 -0.009 17490 12331 1 20 . 1 1 90 90 LYS C C 380 174.500 174.500 174.934 -0.434 17490 12332 1 20 . 1 1 90 90 LYS CA C 380 54.019 54.019 53.812 0.207 17490 12333 1 20 . 1 1 90 90 LYS CB C 380 35.919 35.919 35.432 0.487 17490 12334 1 20 . 1 1 90 90 LYS H H 380 7.457 7.457 7.627 -0.170 17490 12335 1 20 . 1 1 91 91 VAL N N 381 121.517 121.517 121.267 0.250 17490 12336 1 20 . 1 1 91 91 VAL HA H 381 4.294 4.294 4.576 -0.282 17490 12337 1 20 . 1 1 91 91 VAL C C 381 176.729 176.729 175.955 0.774 17490 12338 1 20 . 1 1 91 91 VAL CA C 381 63.176 63.176 61.730 1.446 17490 12339 1 20 . 1 1 91 91 VAL CB C 381 32.073 32.073 32.371 -0.298 17490 12340 1 20 . 1 1 91 91 VAL H H 381 8.256 8.256 8.556 -0.300 17490 12341 1 20 . 1 1 92 92 ILE N N 382 124.746 124.746 124.864 -0.118 17490 12342 1 20 . 1 1 92 92 ILE HA H 382 4.533 4.533 4.883 -0.350 17490 12343 1 20 . 1 1 92 92 ILE C C 382 173.501 173.501 174.779 -1.278 17490 12344 1 20 . 1 1 92 92 ILE CA C 382 59.249 59.249 59.481 -0.232 17490 12345 1 20 . 1 1 92 92 ILE CB C 382 41.995 41.995 38.042 3.953 17490 12346 1 20 . 1 1 92 92 ILE H H 382 8.788 8.788 8.194 0.594 17490 12347 1 20 . 1 1 93 93 ARG N N 383 119.723 119.723 126.914 -7.191 17490 12348 1 20 . 1 1 93 93 ARG HA H 383 4.608 4.608 4.688 -0.080 17490 12349 1 20 . 1 1 93 93 ARG C C 383 173.979 173.979 175.448 -1.469 17490 12350 1 20 . 1 1 93 93 ARG CA C 383 53.178 53.178 54.469 -1.291 17490 12351 1 20 . 1 1 93 93 ARG CB C 383 31.724 31.724 32.184 -0.460 17490 12352 1 20 . 1 1 93 93 ARG H H 383 8.500 8.500 8.570 -0.070 17490 12353 1 20 . 1 1 94 94 SER N N 384 110.386 110.386 112.664 -2.278 17490 12354 1 20 . 1 1 94 94 SER HA H 384 5.685 5.685 4.879 0.806 17490 12355 1 20 . 1 1 94 94 SER C C 384 174.791 174.791 172.953 1.838 17490 12356 1 20 . 1 1 94 94 SER CA C 384 54.419 54.419 57.400 -2.981 17490 12357 1 20 . 1 1 94 94 SER CB C 384 67.147 67.147 66.376 0.771 17490 12358 1 20 . 1 1 94 94 SER H H 384 7.700 7.700 8.492 -0.792 17490 12359 1 20 . 1 1 95 95 GLY N N 385 106.738 106.738 107.402 -0.664 17490 12360 1 20 . 1 1 95 95 GLY C C 385 171.619 171.619 172.588 -0.969 17490 12361 1 20 . 1 1 95 95 GLY CA C 385 45.904 45.904 45.788 0.116 17490 12362 1 20 . 1 1 95 95 GLY H H 385 8.360 8.360 8.332 0.028 17490 12363 1 20 . 1 1 96 96 THR N N 386 111.493 111.493 111.748 -0.255 17490 12364 1 20 . 1 1 96 96 THR HA H 386 4.604 4.604 4.737 -0.133 17490 12365 1 20 . 1 1 96 96 THR C C 386 175.600 175.600 175.835 -0.235 17490 12366 1 20 . 1 1 96 96 THR CA C 386 60.901 60.901 60.607 0.294 17490 12367 1 20 . 1 1 96 96 THR CB C 386 71.709 71.709 71.440 0.269 17490 12368 1 20 . 1 1 96 96 THR H H 386 9.274 9.274 8.055 1.219 17490 12369 1 20 . 1 1 97 97 ILE N N 387 121.293 121.293 122.071 -0.778 17490 12370 1 20 . 1 1 97 97 ILE HA H 387 3.881 3.881 3.722 0.159 17490 12371 1 20 . 1 1 97 97 ILE C C 387 178.109 178.109 177.937 0.172 17490 12372 1 20 . 1 1 97 97 ILE CA C 387 65.826 65.826 64.312 1.514 17490 12373 1 20 . 1 1 97 97 ILE CB C 387 37.717 37.717 36.608 1.109 17490 12374 1 20 . 1 1 97 97 ILE H H 387 9.339 9.339 8.459 0.880 17490 12375 1 20 . 1 1 98 98 ASN N N 388 117.358 117.358 118.308 -0.950 17490 12376 1 20 . 1 1 98 98 ASN HA H 388 4.224 4.224 4.354 -0.130 17490 12377 1 20 . 1 1 98 98 ASN C C 388 178.040 178.040 176.997 1.043 17490 12378 1 20 . 1 1 98 98 ASN CA C 388 56.205 56.205 56.484 -0.279 17490 12379 1 20 . 1 1 98 98 ASN CB C 388 37.719 37.719 38.061 -0.342 17490 12380 1 20 . 1 1 98 98 ASN H H 388 8.162 8.162 8.503 -0.341 17490 12381 1 20 . 1 1 99 99 ASP N N 389 121.336 121.336 119.411 1.925 17490 12382 1 20 . 1 1 99 99 ASP HA H 389 4.236 4.236 4.216 0.020 17490 12383 1 20 . 1 1 99 99 ASP C C 389 177.813 177.813 178.095 -0.282 17490 12384 1 20 . 1 1 99 99 ASP CA C 389 57.639 57.639 56.870 0.769 17490 12385 1 20 . 1 1 99 99 ASP CB C 389 40.497 40.497 40.525 -0.028 17490 12386 1 20 . 1 1 99 99 ASP H H 389 7.865 7.865 8.583 -0.718 17490 12387 1 20 . 1 1 100 100 MET N N 390 122.932 122.932 119.125 3.807 17490 12388 1 20 . 1 1 100 100 MET HA H 390 4.499 4.499 4.351 0.148 17490 12389 1 20 . 1 1 100 100 MET C C 390 178.081 178.081 178.418 -0.337 17490 12390 1 20 . 1 1 100 100 MET CA C 390 58.402 58.402 59.168 -0.766 17490 12391 1 20 . 1 1 100 100 MET CB C 390 32.263 32.263 32.652 -0.389 17490 12392 1 20 . 1 1 100 100 MET H H 390 7.874 7.874 7.429 0.445 17490 12393 1 20 . 1 1 101 101 LYS N N 391 118.764 118.764 118.632 0.132 17490 12394 1 20 . 1 1 101 101 LYS HA H 391 3.484 3.484 4.238 -0.754 17490 12395 1 20 . 1 1 101 101 LYS C C 391 178.102 178.102 179.623 -1.521 17490 12396 1 20 . 1 1 101 101 LYS CA C 391 60.070 60.070 59.277 0.793 17490 12397 1 20 . 1 1 101 101 LYS CB C 391 32.468 32.468 31.886 0.582 17490 12398 1 20 . 1 1 101 101 LYS H H 391 7.994 7.994 8.451 -0.457 17490 12399 1 20 . 1 1 102 102 ARG N N 392 118.974 118.974 120.130 -1.156 17490 12400 1 20 . 1 1 102 102 ARG HA H 392 3.971 3.971 4.165 -0.194 17490 12401 1 20 . 1 1 102 102 ARG C C 392 178.433 178.433 178.826 -0.393 17490 12402 1 20 . 1 1 102 102 ARG CA C 392 59.485 59.485 58.247 1.238 17490 12403 1 20 . 1 1 102 102 ARG CB C 392 30.282 30.282 29.588 0.694 17490 12404 1 20 . 1 1 102 102 ARG H H 392 8.088 8.088 8.044 0.044 17490 12405 1 20 . 1 1 103 103 TYR N N 393 119.904 119.904 120.135 -0.231 17490 12406 1 20 . 1 1 103 103 TYR HA H 393 4.017 4.017 4.233 -0.216 17490 12407 1 20 . 1 1 103 103 TYR C C 393 177.819 177.819 178.582 -0.763 17490 12408 1 20 . 1 1 103 103 TYR CA C 393 61.926 61.926 60.346 1.580 17490 12409 1 20 . 1 1 103 103 TYR CB C 393 39.373 39.373 37.867 1.506 17490 12410 1 20 . 1 1 103 103 TYR H H 393 8.058 8.058 8.043 0.015 17490 12411 1 20 . 1 1 104 104 TYR N N 394 119.418 119.418 120.356 -0.938 17490 12412 1 20 . 1 1 104 104 TYR HA H 394 4.167 4.167 4.249 -0.082 17490 12413 1 20 . 1 1 104 104 TYR C C 394 177.920 177.920 177.476 0.444 17490 12414 1 20 . 1 1 104 104 TYR CA C 394 61.764 61.764 60.483 1.282 17490 12415 1 20 . 1 1 104 104 TYR CB C 394 39.162 39.162 38.292 0.869 17490 12416 1 20 . 1 1 104 104 TYR H H 394 7.846 7.846 8.981 -1.135 17490 12417 1 20 . 1 1 105 105 ASN N N 395 117.373 117.373 118.088 -0.715 17490 12418 1 20 . 1 1 105 105 ASN HA H 395 4.414 4.414 4.052 0.362 17490 12419 1 20 . 1 1 105 105 ASN C C 395 176.906 176.906 177.261 -0.355 17490 12420 1 20 . 1 1 105 105 ASN CA C 395 55.691 55.691 56.767 -1.076 17490 12421 1 20 . 1 1 105 105 ASN CB C 395 38.472 38.472 38.044 0.429 17490 12422 1 20 . 1 1 105 105 ASN H H 395 8.499 8.499 8.203 0.296 17490 12423 1 20 . 1 1 106 106 ASN N N 396 118.101 118.101 117.781 0.320 17490 12424 1 20 . 1 1 106 106 ASN HA H 396 4.531 4.531 4.528 0.003 17490 12425 1 20 . 1 1 106 106 ASN C C 396 176.450 176.450 177.516 -1.066 17490 12426 1 20 . 1 1 106 106 ASN CA C 396 54.775 54.775 55.593 -0.818 17490 12427 1 20 . 1 1 106 106 ASN CB C 396 38.543 38.543 38.567 -0.024 17490 12428 1 20 . 1 1 106 106 ASN H H 396 8.081 8.081 8.168 -0.087 17490 12429 1 20 . 1 1 107 107 GLN N N 397 118.903 118.903 118.702 0.201 17490 12430 1 20 . 1 1 107 107 GLN HA H 397 3.977 3.977 4.297 -0.320 17490 12431 1 20 . 1 1 107 107 GLN C C 397 176.907 176.907 177.740 -0.833 17490 12432 1 20 . 1 1 107 107 GLN CA C 397 56.815 56.815 57.991 -1.176 17490 12433 1 20 . 1 1 107 107 GLN CB C 397 28.610 28.610 28.697 -0.087 17490 12434 1 20 . 1 1 107 107 GLN H H 397 7.772 7.772 7.927 -0.155 17490 12435 1 20 . 1 1 108 108 GLN N N 398 118.101 118.101 118.673 -0.572 17490 12436 1 20 . 1 1 108 108 GLN HA H 398 3.920 3.920 3.984 -0.064 17490 12437 1 20 . 1 1 108 108 GLN C C 398 176.321 176.321 177.022 -0.701 17490 12438 1 20 . 1 1 108 108 GLN CA C 398 56.554 56.554 58.056 -1.502 17490 12439 1 20 . 1 1 108 108 GLN CB C 398 28.650 28.650 29.184 -0.534 17490 12440 1 20 . 1 1 108 108 GLN H H 398 7.854 7.854 8.305 -0.451 17490 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 104 3.035 0.479 3.011 17490 2 1 1 "Average Difference" HA 110 0.314 0.047 0.312 17490 3 1 1 "Average Difference" C 104 0.908 -0.031 0.912 17490 4 1 1 "Average Difference" CA 106 1.140 -0.064 1.144 17490 5 1 1 "Average Difference" CB 102 1.227 -0.144 1.224 17490 6 1 1 "Average Difference" HN 104 0.498 -0.045 0.499 17490 7 1 2 "Average Difference" N 104 2.734 0.426 2.714 17490 8 1 2 "Average Difference" HA 110 0.315 0.018 0.316 17490 9 1 2 "Average Difference" C 104 1.017 -0.030 1.021 17490 10 1 2 "Average Difference" CA 106 1.278 0.047 1.283 17490 11 1 2 "Average Difference" CB 102 1.250 -0.091 1.253 17490 12 1 2 "Average Difference" HN 104 0.500 -0.024 0.502 17490 13 1 3 "Average Difference" N 104 2.786 0.653 2.721 17490 14 1 3 "Average Difference" HA 110 0.330 0.041 0.329 17490 15 1 3 "Average Difference" C 104 1.020 0.033 1.024 17490 16 1 3 "Average Difference" CA 106 1.273 -0.060 1.277 17490 17 1 3 "Average Difference" CB 102 1.312 -0.133 1.312 17490 18 1 3 "Average Difference" HN 104 0.539 -0.026 0.541 17490 19 1 4 "Average Difference" N 104 2.761 0.298 2.759 17490 20 1 4 "Average Difference" HA 110 0.351 0.065 0.346 17490 21 1 4 "Average Difference" C 104 0.929 -0.056 0.932 17490 22 1 4 "Average Difference" CA 106 1.290 -0.114 1.291 17490 23 1 4 "Average Difference" CB 102 1.272 -0.085 1.275 17490 24 1 4 "Average Difference" HN 104 0.561 -0.039 0.562 17490 25 1 5 "Average Difference" N 104 2.721 0.428 2.700 17490 26 1 5 "Average Difference" HA 110 0.349 0.039 0.348 17490 27 1 5 "Average Difference" C 104 0.938 -0.017 0.942 17490 28 1 5 "Average Difference" CA 106 1.240 -0.057 1.245 17490 29 1 5 "Average Difference" CB 102 1.299 -0.149 1.297 17490 30 1 5 "Average Difference" HN 104 0.506 0.004 0.509 17490 31 1 6 "Average Difference" N 104 3.072 0.247 3.077 17490 32 1 6 "Average Difference" HA 110 0.328 0.054 0.325 17490 33 1 6 "Average Difference" C 104 0.931 -0.010 0.936 17490 34 1 6 "Average Difference" CA 106 1.262 -0.129 1.262 17490 35 1 6 "Average Difference" CB 102 1.191 -0.148 1.188 17490 36 1 6 "Average Difference" HN 104 0.523 -0.059 0.523 17490 37 1 7 "Average Difference" N 104 2.781 0.484 2.752 17490 38 1 7 "Average Difference" HA 110 0.353 0.003 0.355 17490 39 1 7 "Average Difference" C 104 1.009 -0.040 1.013 17490 40 1 7 "Average Difference" CA 106 1.243 -0.058 1.247 17490 41 1 7 "Average Difference" CB 102 1.263 -0.120 1.263 17490 42 1 7 "Average Difference" HN 104 0.540 -0.041 0.541 17490 43 1 8 "Average Difference" N 104 2.783 0.439 2.761 17490 44 1 8 "Average Difference" HA 110 0.354 0.048 0.352 17490 45 1 8 "Average Difference" C 104 1.023 0.082 1.025 17490 46 1 8 "Average Difference" CA 106 1.378 -0.073 1.383 17490 47 1 8 "Average Difference" CB 102 1.474 -0.095 1.478 17490 48 1 8 "Average Difference" HN 104 0.542 -0.035 0.544 17490 49 1 9 "Average Difference" N 104 2.657 0.389 2.641 17490 50 1 9 "Average Difference" HA 110 0.314 0.059 0.310 17490 51 1 9 "Average Difference" C 104 0.909 -0.027 0.913 17490 52 1 9 "Average Difference" CA 106 1.219 -0.089 1.221 17490 53 1 9 "Average Difference" CB 102 1.203 -0.116 1.203 17490 54 1 9 "Average Difference" HN 104 0.530 -0.057 0.529 17490 55 1 10 "Average Difference" N 104 2.781 0.674 2.711 17490 56 1 10 "Average Difference" HA 110 0.347 0.029 0.347 17490 57 1 10 "Average Difference" C 104 0.980 0.047 0.984 17490 58 1 10 "Average Difference" CA 106 1.153 -0.028 1.158 17490 59 1 10 "Average Difference" CB 102 1.273 -0.196 1.264 17490 60 1 10 "Average Difference" HN 104 0.515 -0.011 0.518 17490 61 1 11 "Average Difference" N 104 2.854 0.339 2.848 17490 62 1 11 "Average Difference" HA 110 0.358 0.047 0.356 17490 63 1 11 "Average Difference" C 104 1.009 0.052 1.012 17490 64 1 11 "Average Difference" CA 106 1.328 -0.005 1.335 17490 65 1 11 "Average Difference" CB 102 1.212 -0.088 1.215 17490 66 1 11 "Average Difference" HN 104 0.543 -0.013 0.546 17490 67 1 12 "Average Difference" N 104 3.112 0.381 3.103 17490 68 1 12 "Average Difference" HA 110 0.361 0.020 0.362 17490 69 1 12 "Average Difference" C 104 1.003 0.021 1.007 17490 70 1 12 "Average Difference" CA 106 1.244 -0.026 1.250 17490 71 1 12 "Average Difference" CB 102 1.330 -0.155 1.327 17490 72 1 12 "Average Difference" HN 104 0.511 -0.020 0.513 17490 73 1 13 "Average Difference" N 104 2.889 0.317 2.885 17490 74 1 13 "Average Difference" HA 110 0.336 0.029 0.336 17490 75 1 13 "Average Difference" C 104 0.934 -0.012 0.938 17490 76 1 13 "Average Difference" CA 106 1.177 -0.049 1.181 17490 77 1 13 "Average Difference" CB 102 1.256 -0.088 1.260 17490 78 1 13 "Average Difference" HN 104 0.523 -0.024 0.525 17490 79 1 14 "Average Difference" N 104 2.992 0.294 2.992 17490 80 1 14 "Average Difference" HA 110 0.366 0.005 0.367 17490 81 1 14 "Average Difference" C 104 0.993 -0.033 0.998 17490 82 1 14 "Average Difference" CA 106 1.380 -0.000 1.386 17490 83 1 14 "Average Difference" CB 102 1.300 -0.105 1.302 17490 84 1 14 "Average Difference" HN 104 0.517 -0.046 0.518 17490 85 1 15 "Average Difference" N 104 2.929 0.422 2.912 17490 86 1 15 "Average Difference" HA 110 0.331 0.058 0.327 17490 87 1 15 "Average Difference" C 104 0.931 0.050 0.934 17490 88 1 15 "Average Difference" CA 106 1.292 -0.042 1.297 17490 89 1 15 "Average Difference" CB 102 1.279 -0.176 1.273 17490 90 1 15 "Average Difference" HN 104 0.492 -0.020 0.494 17490 91 1 16 "Average Difference" N 104 2.871 0.357 2.863 17490 92 1 16 "Average Difference" HA 110 0.339 0.033 0.339 17490 93 1 16 "Average Difference" C 104 1.007 -0.038 1.012 17490 94 1 16 "Average Difference" CA 106 1.355 -0.016 1.361 17490 95 1 16 "Average Difference" CB 102 1.228 -0.099 1.230 17490 96 1 16 "Average Difference" HN 104 0.536 -0.048 0.536 17490 97 1 17 "Average Difference" N 104 2.991 0.338 2.986 17490 98 1 17 "Average Difference" HA 110 0.311 0.028 0.311 17490 99 1 17 "Average Difference" C 104 0.907 -0.052 0.910 17490 100 1 17 "Average Difference" CA 106 1.247 -0.040 1.253 17490 101 1 17 "Average Difference" CB 102 1.353 -0.082 1.357 17490 102 1 17 "Average Difference" HN 104 0.509 -0.033 0.510 17490 103 1 18 "Average Difference" N 104 2.938 0.237 2.943 17490 104 1 18 "Average Difference" HA 110 0.341 0.035 0.341 17490 105 1 18 "Average Difference" C 104 0.970 0.002 0.974 17490 106 1 18 "Average Difference" CA 106 1.292 -0.027 1.298 17490 107 1 18 "Average Difference" CB 102 1.203 -0.096 1.205 17490 108 1 18 "Average Difference" HN 104 0.508 -0.030 0.510 17490 109 1 19 "Average Difference" N 104 2.838 0.311 2.835 17490 110 1 19 "Average Difference" HA 110 0.344 0.028 0.345 17490 111 1 19 "Average Difference" C 104 0.948 0.012 0.953 17490 112 1 19 "Average Difference" CA 106 1.278 -0.003 1.284 17490 113 1 19 "Average Difference" CB 102 1.289 -0.076 1.293 17490 114 1 19 "Average Difference" HN 104 0.546 -0.048 0.546 17490 115 1 20 "Average Difference" N 104 2.516 0.452 2.487 17490 116 1 20 "Average Difference" HA 110 0.315 0.006 0.317 17490 117 1 20 "Average Difference" C 104 0.998 0.087 0.999 17490 118 1 20 "Average Difference" CA 106 1.320 -0.007 1.326 17490 119 1 20 "Average Difference" CB 102 1.268 -0.157 1.264 17490 120 1 20 "Average Difference" HN 104 0.524 -0.031 0.525 17490 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 17490 _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 3 3 LEU N N 293 125.082 125.082 122.723 2.359 17490 2 1 . 1 1 3 3 LEU HA H 293 4.292 4.292 4.670 -0.378 17490 3 1 . 1 1 3 3 LEU C C 293 177.442 177.442 177.330 0.112 17490 4 1 . 1 1 3 3 LEU CA C 293 55.523 55.523 54.530 0.993 17490 5 1 . 1 1 3 3 LEU CB C 293 42.516 42.516 43.290 -0.774 17490 6 1 . 1 1 3 3 LEU H H 293 8.321 8.321 8.204 0.117 17490 7 1 . 1 1 4 4 GLU N N 294 122.906 122.906 124.577 -1.671 17490 8 1 . 1 1 4 4 GLU HA H 294 4.069 4.069 3.935 0.134 17490 9 1 . 1 1 4 4 GLU C C 294 177.158 177.158 178.518 -1.360 17490 10 1 . 1 1 4 4 GLU CA C 294 58.307 58.307 59.884 -1.577 17490 11 1 . 1 1 4 4 GLU CB C 294 29.676 29.676 29.293 0.383 17490 12 1 . 1 1 4 4 GLU H H 294 8.521 8.521 8.945 -0.424 17490 13 1 . 1 1 5 5 ARG N N 295 120.270 120.270 117.377 2.893 17490 14 1 . 1 1 5 5 ARG HA H 295 4.131 4.131 4.026 0.105 17490 15 1 . 1 1 5 5 ARG C C 295 177.768 177.768 178.731 -0.963 17490 16 1 . 1 1 5 5 ARG CA C 295 58.082 58.082 59.495 -1.413 17490 17 1 . 1 1 5 5 ARG CB C 295 30.192 30.192 29.755 0.436 17490 18 1 . 1 1 5 5 ARG H H 295 8.327 8.327 8.614 -0.287 17490 19 1 . 1 1 6 6 ASN N N 296 118.639 118.639 118.269 0.370 17490 20 1 . 1 1 6 6 ASN HA H 296 4.554 4.554 4.561 -0.007 17490 21 1 . 1 1 6 6 ASN C C 296 176.830 176.830 177.441 -0.611 17490 22 1 . 1 1 6 6 ASN CA C 296 54.901 54.901 56.134 -1.233 17490 23 1 . 1 1 6 6 ASN CB C 296 38.115 38.115 38.306 -0.191 17490 24 1 . 1 1 6 6 ASN H H 296 8.257 8.257 7.989 0.268 17490 25 1 . 1 1 7 7 GLU N N 297 123.935 123.935 120.858 3.077 17490 26 1 . 1 1 7 7 GLU HA H 297 4.266 4.266 4.139 0.127 17490 27 1 . 1 1 7 7 GLU C C 297 178.102 178.102 179.070 -0.968 17490 28 1 . 1 1 7 7 GLU CA C 297 58.897 58.897 59.372 -0.475 17490 29 1 . 1 1 7 7 GLU CB C 297 29.814 29.814 29.616 0.198 17490 30 1 . 1 1 7 7 GLU H H 297 8.185 8.185 8.023 0.162 17490 31 1 . 1 1 8 8 VAL N N 298 118.916 118.916 120.075 -1.159 17490 32 1 . 1 1 8 8 VAL HA H 298 3.399 3.399 3.593 -0.194 17490 33 1 . 1 1 8 8 VAL C C 298 177.131 177.131 177.752 -0.621 17490 34 1 . 1 1 8 8 VAL CA C 298 67.619 67.619 66.792 0.827 17490 35 1 . 1 1 8 8 VAL CB C 298 32.041 32.041 31.367 0.674 17490 36 1 . 1 1 8 8 VAL H H 298 8.095 8.095 8.718 -0.623 17490 37 1 . 1 1 9 9 LYS N N 299 117.791 117.791 120.053 -2.262 17490 38 1 . 1 1 9 9 LYS HA H 299 3.804 3.804 4.030 -0.226 17490 39 1 . 1 1 9 9 LYS C C 299 179.259 179.259 178.666 0.593 17490 40 1 . 1 1 9 9 LYS CA C 299 59.806 59.806 59.521 0.285 17490 41 1 . 1 1 9 9 LYS CB C 299 32.290 32.290 32.232 0.058 17490 42 1 . 1 1 9 9 LYS H H 299 7.771 7.771 7.790 -0.019 17490 43 1 . 1 1 10 10 ARG N N 300 119.032 119.032 119.338 -0.306 17490 44 1 . 1 1 10 10 ARG HA H 300 3.934 3.934 4.094 -0.160 17490 45 1 . 1 1 10 10 ARG C C 300 179.680 179.680 179.027 0.653 17490 46 1 . 1 1 10 10 ARG CA C 300 59.444 59.444 58.938 0.506 17490 47 1 . 1 1 10 10 ARG CB C 300 30.190 30.190 29.969 0.221 17490 48 1 . 1 1 10 10 ARG H H 300 7.834 7.834 8.113 -0.279 17490 49 1 . 1 1 11 11 LEU N N 301 120.881 120.881 118.855 2.026 17490 50 1 . 1 1 11 11 LEU HA H 301 3.890 3.890 4.156 -0.266 17490 51 1 . 1 1 11 11 LEU C C 301 178.937 178.937 178.087 0.850 17490 52 1 . 1 1 11 11 LEU CA C 301 58.067 58.067 56.769 1.298 17490 53 1 . 1 1 11 11 LEU CB C 301 42.051 42.051 42.104 -0.053 17490 54 1 . 1 1 11 11 LEU H H 301 8.147 8.147 7.997 0.150 17490 55 1 . 1 1 12 12 LEU N N 302 116.294 116.294 118.292 -1.998 17490 56 1 . 1 1 12 12 LEU HA H 302 3.874 3.874 4.042 -0.168 17490 57 1 . 1 1 12 12 LEU C C 302 177.360 177.360 178.258 -0.898 17490 58 1 . 1 1 12 12 LEU CA C 302 57.498 57.498 57.121 0.377 17490 59 1 . 1 1 12 12 LEU CB C 302 41.506 41.506 42.355 -0.849 17490 60 1 . 1 1 12 12 LEU H H 302 8.331 8.331 7.701 0.630 17490 61 1 . 1 1 13 13 ALA N N 303 117.998 117.998 118.758 -0.760 17490 62 1 . 1 1 13 13 ALA HA H 303 4.480 4.480 4.328 0.152 17490 63 1 . 1 1 13 13 ALA C C 303 177.554 177.554 177.722 -0.168 17490 64 1 . 1 1 13 13 ALA CA C 303 51.290 51.290 52.250 -0.960 17490 65 1 . 1 1 13 13 ALA CB C 303 19.810 19.810 19.656 0.154 17490 66 1 . 1 1 13 13 ALA H H 303 7.109 7.109 7.667 -0.558 17490 67 1 . 1 1 14 14 SER N N 304 114.833 114.833 114.711 0.122 17490 68 1 . 1 1 14 14 SER HA H 304 4.175 4.175 4.211 -0.036 17490 69 1 . 1 1 14 14 SER C C 304 175.762 175.762 174.956 0.806 17490 70 1 . 1 1 14 14 SER CA C 304 59.344 59.344 59.252 0.092 17490 71 1 . 1 1 14 14 SER CB C 304 63.704 63.704 63.607 0.097 17490 72 1 . 1 1 14 14 SER H H 304 7.265 7.265 7.727 -0.462 17490 73 1 . 1 1 15 15 ARG N N 305 125.370 125.370 125.430 -0.060 17490 74 1 . 1 1 15 15 ARG HA H 305 4.555 4.555 4.311 0.244 17490 75 1 . 1 1 15 15 ARG C C 305 175.442 175.442 176.162 -0.720 17490 76 1 . 1 1 15 15 ARG CA C 305 54.847 54.847 56.236 -1.389 17490 77 1 . 1 1 15 15 ARG CB C 305 30.415 30.415 30.541 -0.126 17490 78 1 . 1 1 15 15 ARG H H 305 8.872 8.872 8.557 0.315 17490 79 1 . 1 1 16 16 ASN N N 306 120.536 120.536 119.723 0.813 17490 80 1 . 1 1 16 16 ASN HA H 306 4.774 4.774 4.677 0.097 17490 81 1 . 1 1 16 16 ASN C C 306 175.146 175.146 176.074 -0.928 17490 82 1 . 1 1 16 16 ASN CA C 306 52.434 52.434 53.193 -0.759 17490 83 1 . 1 1 16 16 ASN CB C 306 38.294 38.294 38.118 0.176 17490 84 1 . 1 1 16 16 ASN H H 306 8.367 8.367 7.967 0.400 17490 85 1 . 1 1 17 17 SER N N 307 121.694 121.694 122.039 -0.345 17490 86 1 . 1 1 17 17 SER HA H 307 4.090 4.090 4.311 -0.221 17490 87 1 . 1 1 17 17 SER C C 307 175.970 175.970 175.058 0.912 17490 88 1 . 1 1 17 17 SER CA C 307 61.484 61.484 60.076 1.408 17490 89 1 . 1 1 17 17 SER CB C 307 62.850 62.850 63.026 -0.176 17490 90 1 . 1 1 17 17 SER H H 307 8.656 8.656 8.654 0.002 17490 91 1 . 1 1 18 18 LYS N N 308 120.961 120.961 121.799 -0.838 17490 92 1 . 1 1 18 18 LYS HA H 308 4.115 4.115 4.267 -0.152 17490 93 1 . 1 1 18 18 LYS C C 308 178.999 178.999 178.006 0.992 17490 94 1 . 1 1 18 18 LYS CA C 308 58.606 58.606 58.719 -0.113 17490 95 1 . 1 1 18 18 LYS CB C 308 31.614 31.614 32.417 -0.803 17490 96 1 . 1 1 18 18 LYS H H 308 8.060 8.060 7.887 0.173 17490 97 1 . 1 1 19 19 GLU N N 309 118.377 118.377 119.835 -1.458 17490 98 1 . 1 1 19 19 GLU HA H 309 4.198 4.198 4.174 0.024 17490 99 1 . 1 1 19 19 GLU C C 309 178.136 178.136 178.319 -0.183 17490 100 1 . 1 1 19 19 GLU CA C 309 57.939 57.939 59.059 -1.120 17490 101 1 . 1 1 19 19 GLU CB C 309 30.115 30.115 29.732 0.383 17490 102 1 . 1 1 19 19 GLU H H 309 7.520 7.520 7.636 -0.116 17490 103 1 . 1 1 20 20 LEU N N 310 118.101 118.101 117.329 0.772 17490 104 1 . 1 1 20 20 LEU HA H 310 4.168 4.168 4.168 0.000 17490 105 1 . 1 1 20 20 LEU C C 310 179.112 179.112 177.990 1.122 17490 106 1 . 1 1 20 20 LEU CA C 310 56.583 56.583 56.659 -0.076 17490 107 1 . 1 1 20 20 LEU CB C 310 41.611 41.611 41.355 0.256 17490 108 1 . 1 1 20 20 LEU H H 310 7.741 7.741 7.476 0.265 17490 109 1 . 1 1 21 21 GLU N N 311 116.130 116.130 118.320 -2.190 17490 110 1 . 1 1 21 21 GLU HA H 311 4.342 4.342 4.203 0.139 17490 111 1 . 1 1 21 21 GLU C C 311 176.928 176.928 178.667 -1.739 17490 112 1 . 1 1 21 21 GLU CA C 311 58.216 58.216 58.285 -0.070 17490 113 1 . 1 1 21 21 GLU CB C 311 29.608 29.608 29.831 -0.223 17490 114 1 . 1 1 21 21 GLU H H 311 7.747 7.747 7.672 0.075 17490 115 1 . 1 1 22 22 THR N N 312 106.131 106.131 117.161 -11.030 17490 116 1 . 1 1 22 22 THR HA H 312 4.182 4.182 4.222 -0.040 17490 117 1 . 1 1 22 22 THR C C 312 172.032 172.032 174.721 -2.689 17490 118 1 . 1 1 22 22 THR CA C 312 61.539 61.539 64.842 -3.303 17490 119 1 . 1 1 22 22 THR CB C 312 69.426 69.426 68.514 0.912 17490 120 1 . 1 1 22 22 THR H H 312 7.446 7.446 7.926 -0.480 17490 121 1 . 1 1 23 23 LEU N N 313 120.178 120.178 117.118 3.060 17490 122 1 . 1 1 23 23 LEU HA H 313 5.869 5.869 5.187 0.682 17490 123 1 . 1 1 23 23 LEU C C 313 175.604 175.604 174.779 0.825 17490 124 1 . 1 1 23 23 LEU CA C 313 52.838 52.838 54.100 -1.262 17490 125 1 . 1 1 23 23 LEU CB C 313 46.851 46.851 45.207 1.644 17490 126 1 . 1 1 23 23 LEU H H 313 7.538 7.538 7.642 -0.104 17490 127 1 . 1 1 24 24 ILE N N 314 113.990 113.990 111.445 2.545 17490 128 1 . 1 1 24 24 ILE HA H 314 4.717 4.717 4.643 0.074 17490 129 1 . 1 1 24 24 ILE C C 314 173.530 173.530 173.557 -0.027 17490 130 1 . 1 1 24 24 ILE CA C 314 59.368 59.368 59.490 -0.122 17490 131 1 . 1 1 24 24 ILE CB C 314 42.319 42.319 41.740 0.579 17490 132 1 . 1 1 24 24 ILE H H 314 8.904 8.904 8.434 0.470 17490 133 1 . 1 1 25 25 CYS N N 315 117.755 117.755 119.520 -1.764 17490 134 1 . 1 1 25 25 CYS HA H 315 5.914 5.914 5.310 0.604 17490 135 1 . 1 1 25 25 CYS C C 315 174.153 174.153 174.542 -0.389 17490 136 1 . 1 1 25 25 CYS CA C 315 57.187 57.187 56.930 0.257 17490 137 1 . 1 1 25 25 CYS CB C 315 31.754 31.754 28.489 3.265 17490 138 1 . 1 1 25 25 CYS H H 315 9.021 9.021 8.931 0.090 17490 139 1 . 1 1 26 26 LEU N N 316 119.952 119.952 125.893 -5.941 17490 140 1 . 1 1 26 26 LEU HA H 316 5.363 5.363 4.764 0.599 17490 141 1 . 1 1 26 26 LEU C C 316 176.015 176.015 175.699 0.316 17490 142 1 . 1 1 26 26 LEU CA C 316 53.072 53.072 54.921 -1.848 17490 143 1 . 1 1 26 26 LEU CB C 316 45.891 45.891 42.834 3.058 17490 144 1 . 1 1 26 26 LEU H H 316 8.778 8.778 9.042 -0.264 17490 145 1 . 1 1 27 27 PHE N N 317 116.116 116.116 124.273 -8.157 17490 146 1 . 1 1 27 27 PHE HA H 317 4.158 4.158 5.249 -1.091 17490 147 1 . 1 1 27 27 PHE CA C 317 55.594 55.594 54.328 1.266 17490 148 1 . 1 1 27 27 PHE CB C 317 37.765 37.765 40.235 -2.470 17490 149 1 . 1 1 27 27 PHE H H 317 7.827 7.827 8.973 -1.146 17490 150 1 . 1 1 28 28 PRO HA H 318 5.322 5.322 4.660 0.662 17490 151 1 . 1 1 28 28 PRO C C 318 175.163 175.163 175.097 0.066 17490 152 1 . 1 1 28 28 PRO CA C 318 61.657 61.657 62.337 -0.680 17490 153 1 . 1 1 28 28 PRO CB C 318 34.356 34.356 31.526 2.830 17490 154 1 . 1 1 29 29 LEU N N 319 120.206 120.206 118.130 2.076 17490 155 1 . 1 1 29 29 LEU HA H 319 4.674 4.674 4.578 0.096 17490 156 1 . 1 1 29 29 LEU C C 319 176.806 176.806 175.964 0.842 17490 157 1 . 1 1 29 29 LEU CA C 319 52.817 52.817 53.726 -0.909 17490 158 1 . 1 1 29 29 LEU CB C 319 45.029 45.029 42.761 2.268 17490 159 1 . 1 1 29 29 LEU H H 319 8.365 8.365 7.513 0.852 17490 160 1 . 1 1 30 30 SER N N 320 117.220 117.220 117.332 -0.112 17490 161 1 . 1 1 30 30 SER HA H 320 4.475 4.475 4.469 0.006 17490 162 1 . 1 1 30 30 SER C C 320 174.677 174.677 175.136 -0.459 17490 163 1 . 1 1 30 30 SER CA C 320 57.768 57.768 57.867 -0.099 17490 164 1 . 1 1 30 30 SER CB C 320 64.118 64.118 64.440 -0.322 17490 165 1 . 1 1 30 30 SER H H 320 8.652 8.652 8.280 0.372 17490 166 1 . 1 1 31 31 ASP N N 321 121.514 121.514 119.754 1.760 17490 167 1 . 1 1 31 31 ASP HA H 321 4.471 4.471 4.566 -0.096 17490 168 1 . 1 1 31 31 ASP C C 321 176.811 176.811 176.270 0.541 17490 169 1 . 1 1 31 31 ASP CA C 321 55.388 55.388 55.515 -0.127 17490 170 1 . 1 1 31 31 ASP CB C 321 40.060 40.060 40.820 -0.760 17490 171 1 . 1 1 31 31 ASP H H 321 8.587 8.587 8.660 -0.073 17490 172 1 . 1 1 32 32 LYS N N 322 117.990 117.990 118.825 -0.835 17490 173 1 . 1 1 32 32 LYS HA H 322 4.331 4.331 4.439 -0.108 17490 174 1 . 1 1 32 32 LYS C C 322 176.804 176.804 175.568 1.236 17490 175 1 . 1 1 32 32 LYS CA C 322 55.545 55.545 55.706 -0.161 17490 176 1 . 1 1 32 32 LYS CB C 322 31.942 31.942 32.909 -0.967 17490 177 1 . 1 1 32 32 LYS H H 322 8.053 8.053 8.058 -0.005 17490 178 1 . 1 1 33 33 VAL N N 323 119.570 119.570 117.069 2.501 17490 179 1 . 1 1 33 33 VAL HA H 323 3.922 3.922 4.314 -0.392 17490 180 1 . 1 1 33 33 VAL C C 323 173.362 173.362 175.185 -1.823 17490 181 1 . 1 1 33 33 VAL CA C 323 63.294 63.294 60.445 2.849 17490 182 1 . 1 1 33 33 VAL CB C 323 32.410 32.410 33.227 -0.817 17490 183 1 . 1 1 33 33 VAL H H 323 7.333 7.333 7.536 -0.203 17490 184 1 . 1 1 34 34 SER N N 324 118.908 118.908 116.335 2.573 17490 185 1 . 1 1 34 34 SER HA H 324 5.104 5.104 4.862 0.242 17490 186 1 . 1 1 34 34 SER CA C 324 55.114 55.114 55.920 -0.806 17490 187 1 . 1 1 34 34 SER CB C 324 64.522 64.522 64.813 -0.291 17490 188 1 . 1 1 34 34 SER H H 324 7.099 7.099 8.096 -0.997 17490 189 1 . 1 1 35 35 PRO HA H 325 4.038 4.038 4.153 -0.115 17490 190 1 . 1 1 35 35 PRO C C 325 178.107 178.107 178.426 -0.319 17490 191 1 . 1 1 35 35 PRO CA C 325 66.275 66.275 65.565 0.710 17490 192 1 . 1 1 35 35 PRO CB C 325 31.873 31.873 31.887 -0.014 17490 193 1 . 1 1 36 36 SER N N 326 111.480 111.480 114.106 -2.626 17490 194 1 . 1 1 36 36 SER HA H 326 4.179 4.179 4.255 -0.076 17490 195 1 . 1 1 36 36 SER C C 326 176.897 176.897 176.763 0.134 17490 196 1 . 1 1 36 36 SER CA C 326 61.731 61.731 61.158 0.573 17490 197 1 . 1 1 36 36 SER CB C 326 62.211 62.211 62.502 -0.291 17490 198 1 . 1 1 36 36 SER H H 326 8.172 8.172 8.339 -0.167 17490 199 1 . 1 1 37 37 LEU N N 327 123.898 123.898 122.133 1.765 17490 200 1 . 1 1 37 37 LEU HA H 327 4.311 4.311 4.061 0.250 17490 201 1 . 1 1 37 37 LEU C C 327 180.292 180.292 178.880 1.412 17490 202 1 . 1 1 37 37 LEU CA C 327 57.921 57.921 57.602 0.319 17490 203 1 . 1 1 37 37 LEU CB C 327 42.694 42.694 41.462 1.232 17490 204 1 . 1 1 37 37 LEU H H 327 7.751 7.751 7.933 -0.182 17490 205 1 . 1 1 38 38 ILE N N 328 119.411 119.411 119.803 -0.392 17490 206 1 . 1 1 38 38 ILE HA H 328 3.627 3.627 3.732 -0.105 17490 207 1 . 1 1 38 38 ILE C C 328 176.884 176.884 178.015 -1.131 17490 208 1 . 1 1 38 38 ILE CA C 328 65.153 65.153 65.394 -0.241 17490 209 1 . 1 1 38 38 ILE CB C 328 37.446 37.446 37.892 -0.446 17490 210 1 . 1 1 38 38 ILE H H 328 7.636 7.636 7.599 0.037 17490 211 1 . 1 1 39 39 CYS N N 329 120.430 120.430 118.065 2.365 17490 212 1 . 1 1 39 39 CYS HA H 329 3.743 3.743 3.953 -0.210 17490 213 1 . 1 1 39 39 CYS C C 329 176.205 176.205 177.104 -0.899 17490 214 1 . 1 1 39 39 CYS CA C 329 63.564 63.564 63.445 0.119 17490 215 1 . 1 1 39 39 CYS CB C 329 26.285 26.285 26.963 -0.678 17490 216 1 . 1 1 39 39 CYS H H 329 8.640 8.640 7.639 1.001 17490 217 1 . 1 1 40 40 GLN N N 330 118.263 118.263 119.411 -1.148 17490 218 1 . 1 1 40 40 GLN HA H 330 4.099 4.099 3.991 0.108 17490 219 1 . 1 1 40 40 GLN C C 330 177.445 177.445 178.620 -1.175 17490 220 1 . 1 1 40 40 GLN CA C 330 59.496 59.496 58.604 0.892 17490 221 1 . 1 1 40 40 GLN CB C 330 28.469 28.469 27.956 0.513 17490 222 1 . 1 1 40 40 GLN H H 330 8.213 8.213 8.076 0.137 17490 223 1 . 1 1 41 41 PHE N N 331 121.411 121.411 120.523 0.888 17490 224 1 . 1 1 41 41 PHE HA H 331 4.661 4.661 4.197 0.464 17490 225 1 . 1 1 41 41 PHE C C 331 177.475 177.475 177.389 0.086 17490 226 1 . 1 1 41 41 PHE CA C 331 60.181 60.181 60.886 -0.705 17490 227 1 . 1 1 41 41 PHE CB C 331 39.561 39.561 38.944 0.616 17490 228 1 . 1 1 41 41 PHE H H 331 7.806 7.806 8.136 -0.330 17490 229 1 . 1 1 42 42 LEU N N 332 119.016 119.016 119.778 -0.762 17490 230 1 . 1 1 42 42 LEU HA H 332 3.508 3.508 3.659 -0.151 17490 231 1 . 1 1 42 42 LEU C C 332 178.495 178.495 179.050 -0.555 17490 232 1 . 1 1 42 42 LEU CA C 332 57.545 57.545 57.831 -0.286 17490 233 1 . 1 1 42 42 LEU CB C 332 40.880 40.880 41.568 -0.688 17490 234 1 . 1 1 42 42 LEU H H 332 8.436 8.436 7.947 0.489 17490 235 1 . 1 1 43 43 GLN N N 333 116.210 116.210 117.124 -0.914 17490 236 1 . 1 1 43 43 GLN HA H 333 4.590 4.590 4.159 0.431 17490 237 1 . 1 1 43 43 GLN C C 333 178.499 178.499 178.660 -0.161 17490 238 1 . 1 1 43 43 GLN CA C 333 58.875 58.875 58.624 0.251 17490 239 1 . 1 1 43 43 GLN CB C 333 30.846 30.846 28.429 2.417 17490 240 1 . 1 1 43 43 GLN H H 333 8.236 8.236 8.489 -0.253 17490 241 1 . 1 1 44 44 GLU N N 334 117.050 117.050 119.837 -2.787 17490 242 1 . 1 1 44 44 GLU HA H 334 4.116 4.116 4.094 0.022 17490 243 1 . 1 1 44 44 GLU C C 334 177.407 177.407 177.906 -0.499 17490 244 1 . 1 1 44 44 GLU CA C 334 58.756 58.756 59.077 -0.321 17490 245 1 . 1 1 44 44 GLU CB C 334 30.518 30.518 29.750 0.768 17490 246 1 . 1 1 44 44 GLU H H 334 8.926 8.926 8.226 0.700 17490 247 1 . 1 1 45 45 GLU N N 335 114.950 114.950 116.835 -1.885 17490 248 1 . 1 1 45 45 GLU HA H 335 4.354 4.354 4.204 0.150 17490 249 1 . 1 1 45 45 GLU C C 335 176.873 176.873 178.386 -1.513 17490 250 1 . 1 1 45 45 GLU CA C 335 57.018 57.018 57.118 -0.100 17490 251 1 . 1 1 45 45 GLU CB C 335 29.537 29.537 30.687 -1.150 17490 252 1 . 1 1 45 45 GLU H H 335 8.054 8.054 7.836 0.218 17490 253 1 . 1 1 46 46 ILE N N 336 115.649 115.649 116.760 -1.111 17490 254 1 . 1 1 46 46 ILE HA H 336 3.895 3.895 4.075 -0.180 17490 255 1 . 1 1 46 46 ILE C C 336 175.873 175.873 175.973 -0.100 17490 256 1 . 1 1 46 46 ILE CA C 336 58.097 58.097 61.044 -2.947 17490 257 1 . 1 1 46 46 ILE CB C 336 35.077 35.077 37.611 -2.534 17490 258 1 . 1 1 46 46 ILE H H 336 6.749 6.749 7.550 -0.801 17490 259 1 . 1 1 47 47 HIS N N 337 111.685 111.685 115.309 -3.624 17490 260 1 . 1 1 47 47 HIS HA H 337 4.520 4.520 4.330 0.190 17490 261 1 . 1 1 47 47 HIS C C 337 174.787 174.787 174.231 0.556 17490 262 1 . 1 1 47 47 HIS CA C 337 56.387 56.387 56.613 -0.226 17490 263 1 . 1 1 47 47 HIS CB C 337 24.947 24.947 27.514 -2.567 17490 264 1 . 1 1 47 47 HIS H H 337 6.652 6.652 7.631 -0.979 17490 265 1 . 1 1 48 48 ILE N N 338 118.069 118.069 118.959 -0.890 17490 266 1 . 1 1 48 48 ILE HA H 338 4.433 4.433 4.002 0.431 17490 267 1 . 1 1 48 48 ILE C C 338 175.031 175.031 175.134 -0.103 17490 268 1 . 1 1 48 48 ILE CA C 338 60.737 60.737 62.396 -1.659 17490 269 1 . 1 1 48 48 ILE CB C 338 38.861 38.861 37.920 0.941 17490 270 1 . 1 1 48 48 ILE H H 338 7.963 7.963 7.374 0.589 17490 271 1 . 1 1 49 49 ASN N N 339 123.991 123.991 123.751 0.240 17490 272 1 . 1 1 49 49 ASN HA H 339 4.691 4.691 4.813 -0.122 17490 273 1 . 1 1 49 49 ASN C C 339 176.381 176.381 175.554 0.827 17490 274 1 . 1 1 49 49 ASN CA C 339 53.296 53.296 51.849 1.447 17490 275 1 . 1 1 49 49 ASN CB C 339 40.570 40.570 40.151 0.419 17490 276 1 . 1 1 49 49 ASN H H 339 9.222 9.222 7.933 1.289 17490 277 1 . 1 1 50 50 GLU N N 340 125.549 125.549 118.176 7.373 17490 278 1 . 1 1 50 50 GLU HA H 340 3.792 3.792 4.020 -0.228 17490 279 1 . 1 1 50 50 GLU C C 340 177.988 177.988 176.937 1.051 17490 280 1 . 1 1 50 50 GLU CA C 340 59.807 59.807 58.993 0.814 17490 281 1 . 1 1 50 50 GLU CB C 340 29.143 29.143 29.313 -0.170 17490 282 1 . 1 1 50 50 GLU H H 340 8.971 8.971 8.852 0.119 17490 283 1 . 1 1 51 51 LYS N N 341 116.019 116.019 116.112 -0.093 17490 284 1 . 1 1 51 51 LYS HA H 341 4.117 4.117 4.319 -0.202 17490 285 1 . 1 1 51 51 LYS C C 341 177.283 177.283 177.241 0.042 17490 286 1 . 1 1 51 51 LYS CA C 341 57.718 57.718 57.345 0.373 17490 287 1 . 1 1 51 51 LYS CB C 341 31.650 31.650 32.558 -0.908 17490 288 1 . 1 1 51 51 LYS H H 341 8.424 8.424 7.792 0.632 17490 289 1 . 1 1 52 52 ASP N N 342 117.576 117.576 119.402 -1.826 17490 290 1 . 1 1 52 52 ASP HA H 342 4.444 4.444 4.688 -0.244 17490 291 1 . 1 1 52 52 ASP C C 342 175.454 175.454 175.617 -0.163 17490 292 1 . 1 1 52 52 ASP CA C 342 56.002 56.002 56.203 -0.201 17490 293 1 . 1 1 52 52 ASP CB C 342 41.937 41.937 42.699 -0.762 17490 294 1 . 1 1 52 52 ASP H H 342 7.908 7.908 8.288 -0.380 17490 295 1 . 1 1 53 53 ILE N N 343 120.515 120.515 119.019 1.496 17490 296 1 . 1 1 53 53 ILE HA H 343 3.875 3.875 4.340 -0.465 17490 297 1 . 1 1 53 53 ILE C C 343 174.966 174.966 175.103 -0.137 17490 298 1 . 1 1 53 53 ILE CA C 343 61.101 61.101 59.695 1.406 17490 299 1 . 1 1 53 53 ILE CB C 343 39.931 39.931 39.333 0.598 17490 300 1 . 1 1 53 53 ILE H H 343 7.480 7.480 7.622 -0.142 17490 301 1 . 1 1 54 54 ARG N N 344 125.353 125.353 126.273 -0.920 17490 302 1 . 1 1 54 54 ARG HA H 344 4.291 4.291 4.240 0.051 17490 303 1 . 1 1 54 54 ARG C C 344 176.642 176.642 176.430 0.212 17490 304 1 . 1 1 54 54 ARG CA C 344 57.550 57.550 57.831 -0.282 17490 305 1 . 1 1 54 54 ARG CB C 344 30.848 30.848 31.444 -0.596 17490 306 1 . 1 1 54 54 ARG H H 344 9.063 9.063 8.920 0.143 17490 307 1 . 1 1 55 55 LYS N N 345 116.212 116.212 116.717 -0.505 17490 308 1 . 1 1 55 55 LYS HA H 345 4.417 4.417 4.425 -0.008 17490 309 1 . 1 1 55 55 LYS C C 345 173.004 173.004 173.861 -0.857 17490 310 1 . 1 1 55 55 LYS CA C 345 55.873 55.873 55.935 -0.062 17490 311 1 . 1 1 55 55 LYS CB C 345 36.582 36.582 36.052 0.530 17490 312 1 . 1 1 55 55 LYS H H 345 7.569 7.569 7.591 -0.022 17490 313 1 . 1 1 56 56 ILE N N 346 122.685 122.685 123.546 -0.861 17490 314 1 . 1 1 56 56 ILE HA H 346 4.731 4.731 5.053 -0.322 17490 315 1 . 1 1 56 56 ILE C C 346 174.163 174.163 173.789 0.374 17490 316 1 . 1 1 56 56 ILE CA C 346 60.843 60.843 59.367 1.476 17490 317 1 . 1 1 56 56 ILE CB C 346 40.816 40.816 40.123 0.693 17490 318 1 . 1 1 56 56 ILE H H 346 8.229 8.229 8.351 -0.122 17490 319 1 . 1 1 57 57 LEU N N 347 126.095 126.095 128.048 -1.954 17490 320 1 . 1 1 57 57 LEU HA H 347 4.775 4.775 4.797 -0.022 17490 321 1 . 1 1 57 57 LEU C C 347 175.764 175.764 174.962 0.802 17490 322 1 . 1 1 57 57 LEU CA C 347 52.746 52.746 53.650 -0.904 17490 323 1 . 1 1 57 57 LEU CB C 347 45.364 45.364 45.651 -0.287 17490 324 1 . 1 1 57 57 LEU H H 347 9.279 9.279 8.733 0.546 17490 325 1 . 1 1 58 58 LEU N N 348 122.946 122.946 122.638 0.308 17490 326 1 . 1 1 58 58 LEU HA H 348 4.338 4.338 4.546 -0.208 17490 327 1 . 1 1 58 58 LEU C C 348 176.476 176.476 176.442 0.034 17490 328 1 . 1 1 58 58 LEU CA C 348 55.221 55.221 54.194 1.027 17490 329 1 . 1 1 58 58 LEU CB C 348 41.496 41.496 42.766 -1.270 17490 330 1 . 1 1 58 58 LEU H H 348 8.925 8.925 8.726 0.199 17490 331 1 . 1 1 59 59 VAL N N 349 123.378 123.378 125.735 -2.357 17490 332 1 . 1 1 59 59 VAL HA H 349 4.385 4.385 4.441 -0.056 17490 333 1 . 1 1 59 59 VAL C C 349 176.335 176.335 175.428 0.907 17490 334 1 . 1 1 59 59 VAL CA C 349 59.595 59.595 61.468 -1.873 17490 335 1 . 1 1 59 59 VAL CB C 349 31.100 31.100 31.321 -0.221 17490 336 1 . 1 1 59 59 VAL H H 349 8.637 8.637 8.616 0.021 17490 337 1 . 1 1 60 60 SER N N 350 124.152 124.152 120.150 4.002 17490 338 1 . 1 1 60 60 SER HA H 350 3.907 3.907 4.534 -0.627 17490 339 1 . 1 1 60 60 SER C C 350 177.518 177.518 174.199 3.319 17490 340 1 . 1 1 60 60 SER CA C 350 62.261 62.261 59.242 3.019 17490 341 1 . 1 1 60 60 SER CB C 350 62.301 62.301 63.405 -1.104 17490 342 1 . 1 1 60 60 SER H H 350 8.755 8.755 8.563 0.192 17490 343 1 . 1 1 61 61 ASP N N 351 119.224 119.224 120.292 -1.068 17490 344 1 . 1 1 61 61 ASP HA H 351 3.964 3.964 4.357 -0.393 17490 345 1 . 1 1 61 61 ASP C C 351 174.721 174.721 174.301 0.420 17490 346 1 . 1 1 61 61 ASP CA C 351 56.162 56.162 53.842 2.320 17490 347 1 . 1 1 61 61 ASP CB C 351 40.102 40.102 40.179 -0.077 17490 348 1 . 1 1 61 61 ASP H H 351 9.011 9.011 8.136 0.875 17490 349 1 . 1 1 62 62 PHE N N 352 110.179 110.179 113.767 -3.588 17490 350 1 . 1 1 62 62 PHE HA H 352 3.983 3.983 4.201 -0.218 17490 351 1 . 1 1 62 62 PHE C C 352 173.268 173.268 173.857 -0.589 17490 352 1 . 1 1 62 62 PHE CA C 352 56.221 56.221 56.414 -0.193 17490 353 1 . 1 1 62 62 PHE CB C 352 39.789 39.789 38.399 1.390 17490 354 1 . 1 1 62 62 PHE H H 352 6.702 6.702 7.113 -0.411 17490 355 1 . 1 1 63 63 ASN N N 353 114.980 114.980 118.151 -3.171 17490 356 1 . 1 1 63 63 ASN HA H 353 4.665 4.665 4.443 0.222 17490 357 1 . 1 1 63 63 ASN C C 353 174.360 174.360 174.216 0.144 17490 358 1 . 1 1 63 63 ASN CA C 353 54.158 54.158 53.986 0.172 17490 359 1 . 1 1 63 63 ASN CB C 353 37.889 37.889 37.204 0.685 17490 360 1 . 1 1 63 63 ASN H H 353 7.708 7.708 8.262 -0.554 17490 361 1 . 1 1 64 64 GLY N N 354 102.117 102.117 105.165 -3.048 17490 362 1 . 1 1 64 64 GLY C C 354 173.093 173.093 171.603 1.490 17490 363 1 . 1 1 64 64 GLY CA C 354 45.413 45.413 44.622 0.791 17490 364 1 . 1 1 64 64 GLY H H 354 7.722 7.722 8.242 -0.520 17490 365 1 . 1 1 65 65 ALA N N 355 120.262 120.262 121.924 -1.662 17490 366 1 . 1 1 65 65 ALA HA H 355 5.055 5.055 5.041 0.014 17490 367 1 . 1 1 65 65 ALA C C 355 174.731 174.731 175.319 -0.588 17490 368 1 . 1 1 65 65 ALA CA C 355 51.429 51.429 50.833 0.596 17490 369 1 . 1 1 65 65 ALA CB C 355 22.924 22.924 21.752 1.172 17490 370 1 . 1 1 65 65 ALA H H 355 8.785 8.785 8.539 0.246 17490 371 1 . 1 1 66 66 ILE N N 356 121.244 121.244 126.284 -5.040 17490 372 1 . 1 1 66 66 ILE HA H 356 4.711 4.711 4.873 -0.162 17490 373 1 . 1 1 66 66 ILE C C 356 174.154 174.154 174.013 0.141 17490 374 1 . 1 1 66 66 ILE CA C 356 60.570 60.570 60.649 -0.079 17490 375 1 . 1 1 66 66 ILE CB C 356 41.943 41.943 39.626 2.317 17490 376 1 . 1 1 66 66 ILE H H 356 9.390 9.390 8.280 1.109 17490 377 1 . 1 1 67 67 ILE N N 357 127.255 127.255 128.964 -1.709 17490 378 1 . 1 1 67 67 ILE HA H 357 4.433 4.433 4.770 -0.337 17490 379 1 . 1 1 67 67 ILE C C 357 174.004 174.004 174.538 -0.534 17490 380 1 . 1 1 67 67 ILE CA C 357 59.826 59.826 60.125 -0.299 17490 381 1 . 1 1 67 67 ILE CB C 357 38.965 38.965 42.329 -3.364 17490 382 1 . 1 1 67 67 ILE H H 357 9.291 9.291 8.764 0.527 17490 383 1 . 1 1 68 68 ILE N N 358 124.623 124.623 127.112 -2.489 17490 384 1 . 1 1 68 68 ILE HA H 358 4.293 4.293 4.579 -0.286 17490 385 1 . 1 1 68 68 ILE C C 358 176.052 176.052 175.628 0.424 17490 386 1 . 1 1 68 68 ILE CA C 358 61.079 61.079 60.376 0.703 17490 387 1 . 1 1 68 68 ILE CB C 358 38.373 38.373 37.767 0.606 17490 388 1 . 1 1 68 68 ILE H H 358 8.681 8.681 8.292 0.389 17490 389 1 . 1 1 69 69 PHE N N 359 126.100 126.100 125.938 0.162 17490 390 1 . 1 1 69 69 PHE HA H 359 5.130 5.130 4.480 0.650 17490 391 1 . 1 1 69 69 PHE C C 359 175.355 175.355 177.163 -1.808 17490 392 1 . 1 1 69 69 PHE CA C 359 58.156 58.156 61.052 -2.896 17490 393 1 . 1 1 69 69 PHE CB C 359 41.592 41.592 39.210 2.382 17490 394 1 . 1 1 69 69 PHE H H 359 9.086 9.086 8.678 0.408 17490 395 1 . 1 1 70 70 ARG N N 360 115.935 115.935 116.127 -0.192 17490 396 1 . 1 1 70 70 ARG HA H 360 4.068 4.068 4.337 -0.269 17490 397 1 . 1 1 70 70 ARG C C 360 175.099 175.099 174.806 0.293 17490 398 1 . 1 1 70 70 ARG CA C 360 58.594 58.594 57.248 1.347 17490 399 1 . 1 1 70 70 ARG CB C 360 30.664 30.664 31.706 -1.042 17490 400 1 . 1 1 70 70 ARG H H 360 8.268 8.268 8.629 -0.361 17490 401 1 . 1 1 71 71 ASP N N 361 113.892 113.892 115.547 -1.655 17490 402 1 . 1 1 71 71 ASP HA H 361 4.880 4.880 4.754 0.126 17490 403 1 . 1 1 71 71 ASP C C 361 176.087 176.087 176.048 0.039 17490 404 1 . 1 1 71 71 ASP CA C 361 53.329 53.329 53.181 0.148 17490 405 1 . 1 1 71 71 ASP CB C 361 44.131 44.131 43.317 0.814 17490 406 1 . 1 1 71 71 ASP H H 361 7.673 7.673 7.805 -0.132 17490 407 1 . 1 1 72 72 SER N N 362 118.590 118.590 118.567 0.023 17490 408 1 . 1 1 72 72 SER HA H 362 4.310 4.310 4.375 -0.065 17490 409 1 . 1 1 72 72 SER C C 362 176.600 176.600 176.321 0.279 17490 410 1 . 1 1 72 72 SER CA C 362 60.739 60.739 61.261 -0.522 17490 411 1 . 1 1 72 72 SER CB C 362 62.872 62.872 63.279 -0.407 17490 412 1 . 1 1 72 72 SER H H 362 9.103 9.103 8.789 0.314 17490 413 1 . 1 1 73 73 LYS N N 363 125.872 125.872 121.321 4.551 17490 414 1 . 1 1 73 73 LYS HA H 363 4.134 4.134 4.009 0.124 17490 415 1 . 1 1 73 73 LYS C C 363 179.386 179.386 178.719 0.667 17490 416 1 . 1 1 73 73 LYS CA C 363 59.283 59.283 59.041 0.242 17490 417 1 . 1 1 73 73 LYS CB C 363 31.491 31.491 32.144 -0.653 17490 418 1 . 1 1 73 73 LYS H H 363 8.332 8.332 8.271 0.061 17490 419 1 . 1 1 74 74 PHE N N 364 123.145 123.145 119.108 4.037 17490 420 1 . 1 1 74 74 PHE HA H 364 3.968 3.968 4.262 -0.294 17490 421 1 . 1 1 74 74 PHE C C 364 177.819 177.819 176.763 1.056 17490 422 1 . 1 1 74 74 PHE CA C 364 61.588 61.588 59.600 1.988 17490 423 1 . 1 1 74 74 PHE CB C 364 39.963 39.963 38.686 1.277 17490 424 1 . 1 1 74 74 PHE H H 364 8.482 8.482 7.692 0.790 17490 425 1 . 1 1 75 75 ALA N N 365 119.451 119.451 122.258 -2.807 17490 426 1 . 1 1 75 75 ALA HA H 365 3.396 3.396 3.616 -0.220 17490 427 1 . 1 1 75 75 ALA C C 365 178.100 178.100 179.211 -1.111 17490 428 1 . 1 1 75 75 ALA CA C 365 55.584 55.584 55.133 0.451 17490 429 1 . 1 1 75 75 ALA CB C 365 18.265 18.265 17.946 0.319 17490 430 1 . 1 1 75 75 ALA H H 365 7.835 7.835 8.243 -0.408 17490 431 1 . 1 1 76 76 ALA N N 366 117.626 117.626 120.133 -2.507 17490 432 1 . 1 1 76 76 ALA HA H 366 4.033 4.033 4.060 -0.027 17490 433 1 . 1 1 76 76 ALA C C 366 180.569 180.569 179.182 1.387 17490 434 1 . 1 1 76 76 ALA CA C 366 54.996 54.996 54.734 0.262 17490 435 1 . 1 1 76 76 ALA CB C 366 18.040 18.040 18.316 -0.276 17490 436 1 . 1 1 76 76 ALA H H 366 7.680 7.680 7.787 -0.107 17490 437 1 . 1 1 77 77 LYS N N 367 118.273 118.273 119.645 -1.372 17490 438 1 . 1 1 77 77 LYS HA H 367 3.998 3.998 4.023 -0.025 17490 439 1 . 1 1 77 77 LYS C C 367 178.964 178.964 178.468 0.496 17490 440 1 . 1 1 77 77 LYS CA C 367 58.803 58.803 59.029 -0.226 17490 441 1 . 1 1 77 77 LYS CB C 367 32.106 32.106 32.371 -0.265 17490 442 1 . 1 1 77 77 LYS H H 367 7.302 7.302 7.783 -0.481 17490 443 1 . 1 1 78 78 MET N N 368 117.578 117.578 118.881 -1.303 17490 444 1 . 1 1 78 78 MET HA H 368 4.273 4.273 4.110 0.163 17490 445 1 . 1 1 78 78 MET C C 368 178.167 178.167 177.848 0.319 17490 446 1 . 1 1 78 78 MET CA C 368 55.734 55.734 56.539 -0.805 17490 447 1 . 1 1 78 78 MET CB C 368 32.382 32.382 31.762 0.620 17490 448 1 . 1 1 78 78 MET H H 368 7.785 7.785 7.799 -0.014 17490 449 1 . 1 1 79 79 LEU N N 369 120.984 120.984 122.678 -1.694 17490 450 1 . 1 1 79 79 LEU HA H 369 3.786 3.786 4.002 -0.216 17490 451 1 . 1 1 79 79 LEU C C 369 179.060 179.060 178.804 0.256 17490 452 1 . 1 1 79 79 LEU CA C 369 59.377 59.377 58.324 1.053 17490 453 1 . 1 1 79 79 LEU CB C 369 42.354 42.354 41.891 0.463 17490 454 1 . 1 1 79 79 LEU H H 369 8.197 8.197 7.820 0.377 17490 455 1 . 1 1 80 80 MET N N 370 114.071 114.071 115.171 -1.100 17490 456 1 . 1 1 80 80 MET HA H 370 4.277 4.277 4.202 0.075 17490 457 1 . 1 1 80 80 MET C C 370 178.184 178.184 178.056 0.128 17490 458 1 . 1 1 80 80 MET CA C 370 57.627 57.627 57.713 -0.086 17490 459 1 . 1 1 80 80 MET CB C 370 32.543 32.543 32.227 0.316 17490 460 1 . 1 1 80 80 MET H H 370 7.018 7.018 7.833 -0.815 17490 461 1 . 1 1 81 81 ILE N N 371 118.056 118.056 116.657 1.399 17490 462 1 . 1 1 81 81 ILE HA H 371 3.885 3.885 3.978 -0.093 17490 463 1 . 1 1 81 81 ILE C C 371 177.491 177.491 177.596 -0.105 17490 464 1 . 1 1 81 81 ILE CA C 371 63.571 63.571 62.320 1.251 17490 465 1 . 1 1 81 81 ILE CB C 371 38.716 38.716 37.945 0.771 17490 466 1 . 1 1 81 81 ILE H H 371 7.615 7.615 7.672 -0.057 17490 467 1 . 1 1 82 82 LEU N N 372 116.858 116.858 119.738 -2.880 17490 468 1 . 1 1 82 82 LEU HA H 372 4.100 4.100 4.371 -0.271 17490 469 1 . 1 1 82 82 LEU C C 372 178.360 178.360 176.677 1.683 17490 470 1 . 1 1 82 82 LEU CA C 372 55.929 55.929 56.105 -0.176 17490 471 1 . 1 1 82 82 LEU CB C 372 42.309 42.309 43.167 -0.858 17490 472 1 . 1 1 82 82 LEU H H 372 8.160 8.160 8.205 -0.045 17490 473 1 . 1 1 83 83 ASN N N 373 117.015 117.015 116.690 0.325 17490 474 1 . 1 1 83 83 ASN HA H 373 4.348 4.348 4.681 -0.333 17490 475 1 . 1 1 83 83 ASN C C 373 175.671 175.671 175.289 0.382 17490 476 1 . 1 1 83 83 ASN CA C 373 55.793 55.793 54.568 1.225 17490 477 1 . 1 1 83 83 ASN CB C 373 38.434 38.434 38.768 -0.334 17490 478 1 . 1 1 83 83 ASN H H 373 7.058 7.058 7.935 -0.877 17490 479 1 . 1 1 84 84 GLY N N 374 116.878 116.878 109.896 6.982 17490 480 1 . 1 1 84 84 GLY C C 374 174.602 174.602 173.988 0.614 17490 481 1 . 1 1 84 84 GLY CA C 374 45.842 45.842 45.431 0.411 17490 482 1 . 1 1 84 84 GLY H H 374 9.053 9.053 8.307 0.746 17490 483 1 . 1 1 85 85 SER N N 375 116.615 116.615 115.698 0.917 17490 484 1 . 1 1 85 85 SER HA H 375 4.407 4.407 4.777 -0.370 17490 485 1 . 1 1 85 85 SER C C 375 171.580 171.580 173.478 -1.898 17490 486 1 . 1 1 85 85 SER CA C 375 59.280 59.280 57.105 2.175 17490 487 1 . 1 1 85 85 SER CB C 375 64.303 64.303 65.161 -0.858 17490 488 1 . 1 1 85 85 SER H H 375 7.666 7.666 8.125 -0.459 17490 489 1 . 1 1 86 86 GLN N N 376 117.824 117.824 119.637 -1.813 17490 490 1 . 1 1 86 86 GLN HA H 376 4.893 4.893 5.236 -0.343 17490 491 1 . 1 1 86 86 GLN C C 376 175.033 175.033 174.911 0.122 17490 492 1 . 1 1 86 86 GLN CA C 376 54.885 54.885 55.141 -0.256 17490 493 1 . 1 1 86 86 GLN CB C 376 30.733 30.733 31.529 -0.796 17490 494 1 . 1 1 86 86 GLN H H 376 8.381 8.381 8.454 -0.073 17490 495 1 . 1 1 87 87 PHE N N 377 124.095 124.095 123.912 0.183 17490 496 1 . 1 1 87 87 PHE HA H 377 4.472 4.472 4.728 -0.256 17490 497 1 . 1 1 87 87 PHE C C 377 174.760 174.760 174.530 0.230 17490 498 1 . 1 1 87 87 PHE CA C 377 56.009 56.009 58.102 -2.093 17490 499 1 . 1 1 87 87 PHE CB C 377 41.519 41.519 42.316 -0.797 17490 500 1 . 1 1 87 87 PHE H H 377 8.974 8.974 9.127 -0.153 17490 501 1 . 1 1 88 88 GLN N N 378 126.108 126.108 123.102 3.006 17490 502 1 . 1 1 88 88 GLN HA H 378 3.505 3.505 3.820 -0.315 17490 503 1 . 1 1 88 88 GLN C C 378 176.162 176.162 175.651 0.511 17490 504 1 . 1 1 88 88 GLN CA C 378 56.570 56.570 56.535 0.035 17490 505 1 . 1 1 88 88 GLN CB C 378 26.070 26.070 27.219 -1.149 17490 506 1 . 1 1 88 88 GLN H H 378 9.139 9.139 8.793 0.346 17490 507 1 . 1 1 89 89 GLY N N 379 103.132 103.132 102.696 0.436 17490 508 1 . 1 1 89 89 GLY C C 379 173.587 173.587 173.754 -0.166 17490 509 1 . 1 1 89 89 GLY CA C 379 45.382 45.382 45.060 0.322 17490 510 1 . 1 1 89 89 GLY H H 379 8.580 8.580 8.299 0.281 17490 511 1 . 1 1 90 90 LYS N N 380 119.783 119.783 119.152 0.631 17490 512 1 . 1 1 90 90 LYS HA H 380 4.697 4.697 4.684 0.013 17490 513 1 . 1 1 90 90 LYS C C 380 174.500 174.500 174.811 -0.310 17490 514 1 . 1 1 90 90 LYS CA C 380 54.019 54.019 54.397 -0.378 17490 515 1 . 1 1 90 90 LYS CB C 380 35.919 35.919 35.718 0.201 17490 516 1 . 1 1 90 90 LYS H H 380 7.457 7.457 7.668 -0.211 17490 517 1 . 1 1 91 91 VAL N N 381 121.517 121.517 122.139 -0.622 17490 518 1 . 1 1 91 91 VAL HA H 381 4.294 4.294 4.879 -0.585 17490 519 1 . 1 1 91 91 VAL C C 381 176.729 176.729 175.695 1.034 17490 520 1 . 1 1 91 91 VAL CA C 381 63.176 63.176 61.464 1.712 17490 521 1 . 1 1 91 91 VAL CB C 381 32.073 32.073 32.573 -0.500 17490 522 1 . 1 1 91 91 VAL H H 381 8.256 8.256 8.434 -0.178 17490 523 1 . 1 1 92 92 ILE N N 382 124.746 124.746 124.550 0.196 17490 524 1 . 1 1 92 92 ILE HA H 382 4.533 4.533 4.676 -0.143 17490 525 1 . 1 1 92 92 ILE C C 382 173.501 173.501 174.249 -0.748 17490 526 1 . 1 1 92 92 ILE CA C 382 59.249 59.249 59.448 -0.199 17490 527 1 . 1 1 92 92 ILE CB C 382 41.995 41.995 39.081 2.914 17490 528 1 . 1 1 92 92 ILE H H 382 8.788 8.788 8.461 0.327 17490 529 1 . 1 1 93 93 ARG N N 383 119.723 119.723 124.018 -4.295 17490 530 1 . 1 1 93 93 ARG HA H 383 4.608 4.608 4.890 -0.282 17490 531 1 . 1 1 93 93 ARG C C 383 173.979 173.979 174.529 -0.550 17490 532 1 . 1 1 93 93 ARG CA C 383 53.178 53.178 54.058 -0.880 17490 533 1 . 1 1 93 93 ARG CB C 383 31.724 31.724 33.690 -1.966 17490 534 1 . 1 1 93 93 ARG H H 383 8.500 8.500 8.489 0.011 17490 535 1 . 1 1 94 94 SER N N 384 110.386 110.386 113.757 -3.371 17490 536 1 . 1 1 94 94 SER HA H 384 5.685 5.685 5.016 0.669 17490 537 1 . 1 1 94 94 SER C C 384 174.791 174.791 173.154 1.637 17490 538 1 . 1 1 94 94 SER CA C 384 54.419 54.419 56.813 -2.394 17490 539 1 . 1 1 94 94 SER CB C 384 67.147 67.147 65.765 1.382 17490 540 1 . 1 1 94 94 SER H H 384 7.700 7.700 8.463 -0.763 17490 541 1 . 1 1 95 95 GLY N N 385 106.738 106.738 107.129 -0.391 17490 542 1 . 1 1 95 95 GLY C C 385 171.619 171.619 172.479 -0.860 17490 543 1 . 1 1 95 95 GLY CA C 385 45.904 45.904 45.765 0.139 17490 544 1 . 1 1 95 95 GLY H H 385 8.360 8.360 8.430 -0.070 17490 545 1 . 1 1 96 96 THR N N 386 111.493 111.493 112.720 -1.227 17490 546 1 . 1 1 96 96 THR HA H 386 4.604 4.604 4.741 -0.137 17490 547 1 . 1 1 96 96 THR C C 386 175.600 175.600 175.814 -0.214 17490 548 1 . 1 1 96 96 THR CA C 386 60.901 60.901 60.850 0.051 17490 549 1 . 1 1 96 96 THR CB C 386 71.709 71.709 71.123 0.587 17490 550 1 . 1 1 96 96 THR H H 386 9.274 9.274 8.143 1.131 17490 551 1 . 1 1 97 97 ILE N N 387 121.293 121.293 118.494 2.799 17490 552 1 . 1 1 97 97 ILE HA H 387 3.881 3.881 3.928 -0.047 17490 553 1 . 1 1 97 97 ILE C C 387 178.109 178.109 177.321 0.788 17490 554 1 . 1 1 97 97 ILE CA C 387 65.826 65.826 63.688 2.138 17490 555 1 . 1 1 97 97 ILE CB C 387 37.717 37.717 37.265 0.452 17490 556 1 . 1 1 97 97 ILE H H 387 9.339 9.339 8.214 1.125 17490 557 1 . 1 1 98 98 ASN N N 388 117.358 117.358 118.912 -1.554 17490 558 1 . 1 1 98 98 ASN HA H 388 4.224 4.224 4.362 -0.138 17490 559 1 . 1 1 98 98 ASN C C 388 178.040 178.040 176.775 1.265 17490 560 1 . 1 1 98 98 ASN CA C 388 56.205 56.205 56.447 -0.242 17490 561 1 . 1 1 98 98 ASN CB C 388 37.719 37.719 38.426 -0.707 17490 562 1 . 1 1 98 98 ASN H H 388 8.162 8.162 8.181 -0.019 17490 563 1 . 1 1 99 99 ASP N N 389 121.336 121.336 120.148 1.188 17490 564 1 . 1 1 99 99 ASP HA H 389 4.236 4.236 4.118 0.118 17490 565 1 . 1 1 99 99 ASP C C 389 177.813 177.813 177.673 0.140 17490 566 1 . 1 1 99 99 ASP CA C 389 57.639 57.639 56.768 0.871 17490 567 1 . 1 1 99 99 ASP CB C 389 40.497 40.497 40.517 -0.020 17490 568 1 . 1 1 99 99 ASP H H 389 7.865 7.865 8.283 -0.418 17490 569 1 . 1 1 100 100 MET N N 390 122.932 122.932 117.218 5.714 17490 570 1 . 1 1 100 100 MET HA H 390 4.499 4.499 4.073 0.426 17490 571 1 . 1 1 100 100 MET C C 390 178.081 178.081 177.830 0.251 17490 572 1 . 1 1 100 100 MET CA C 390 58.402 58.402 58.786 -0.384 17490 573 1 . 1 1 100 100 MET CB C 390 32.263 32.263 32.497 -0.234 17490 574 1 . 1 1 100 100 MET H H 390 7.874 7.874 7.400 0.474 17490 575 1 . 1 1 101 101 LYS N N 391 118.764 118.764 120.172 -1.408 17490 576 1 . 1 1 101 101 LYS HA H 391 3.484 3.484 4.230 -0.746 17490 577 1 . 1 1 101 101 LYS C C 391 178.102 178.102 179.426 -1.324 17490 578 1 . 1 1 101 101 LYS CA C 391 60.070 60.070 59.252 0.818 17490 579 1 . 1 1 101 101 LYS CB C 391 32.468 32.468 31.792 0.676 17490 580 1 . 1 1 101 101 LYS H H 391 7.994 7.994 7.881 0.113 17490 581 1 . 1 1 102 102 ARG N N 392 118.974 118.974 120.042 -1.067 17490 582 1 . 1 1 102 102 ARG HA H 392 3.971 3.971 4.184 -0.213 17490 583 1 . 1 1 102 102 ARG C C 392 178.433 178.433 178.928 -0.495 17490 584 1 . 1 1 102 102 ARG CA C 392 59.485 59.485 58.650 0.835 17490 585 1 . 1 1 102 102 ARG CB C 392 30.282 30.282 29.727 0.555 17490 586 1 . 1 1 102 102 ARG H H 392 8.088 8.088 7.913 0.175 17490 587 1 . 1 1 103 103 TYR N N 393 119.904 119.904 119.477 0.427 17490 588 1 . 1 1 103 103 TYR HA H 393 4.017 4.017 4.107 -0.090 17490 589 1 . 1 1 103 103 TYR C C 393 177.819 177.819 178.397 -0.578 17490 590 1 . 1 1 103 103 TYR CA C 393 61.926 61.926 59.354 2.572 17490 591 1 . 1 1 103 103 TYR CB C 393 39.373 39.373 37.134 2.239 17490 592 1 . 1 1 103 103 TYR H H 393 8.058 8.058 7.837 0.221 17490 593 1 . 1 1 104 104 TYR N N 394 119.418 119.418 120.675 -1.257 17490 594 1 . 1 1 104 104 TYR HA H 394 4.167 4.167 4.310 -0.143 17490 595 1 . 1 1 104 104 TYR C C 394 177.920 177.920 177.336 0.584 17490 596 1 . 1 1 104 104 TYR CA C 394 61.764 61.764 60.392 1.372 17490 597 1 . 1 1 104 104 TYR CB C 394 39.162 39.162 38.385 0.777 17490 598 1 . 1 1 104 104 TYR H H 394 7.846 7.846 8.650 -0.804 17490 599 1 . 1 1 105 105 ASN N N 395 117.373 117.373 117.956 -0.583 17490 600 1 . 1 1 105 105 ASN HA H 395 4.414 4.414 3.975 0.439 17490 601 1 . 1 1 105 105 ASN C C 395 176.906 176.906 177.375 -0.469 17490 602 1 . 1 1 105 105 ASN CA C 395 55.691 55.691 56.599 -0.908 17490 603 1 . 1 1 105 105 ASN CB C 395 38.472 38.472 37.981 0.491 17490 604 1 . 1 1 105 105 ASN H H 395 8.499 8.499 8.159 0.340 17490 605 1 . 1 1 106 106 ASN N N 396 118.101 118.101 118.149 -0.049 17490 606 1 . 1 1 106 106 ASN HA H 396 4.531 4.531 4.494 0.037 17490 607 1 . 1 1 106 106 ASN C C 396 176.450 176.450 177.258 -0.808 17490 608 1 . 1 1 106 106 ASN CA C 396 54.775 54.775 55.550 -0.775 17490 609 1 . 1 1 106 106 ASN CB C 396 38.543 38.543 38.486 0.057 17490 610 1 . 1 1 106 106 ASN H H 396 8.081 8.081 8.120 -0.039 17490 611 1 . 1 1 107 107 GLN N N 397 118.903 118.903 118.847 0.056 17490 612 1 . 1 1 107 107 GLN HA H 397 3.977 3.977 4.221 -0.244 17490 613 1 . 1 1 107 107 GLN C C 397 176.907 176.907 177.833 -0.926 17490 614 1 . 1 1 107 107 GLN CA C 397 56.815 56.815 58.011 -1.196 17490 615 1 . 1 1 107 107 GLN CB C 397 28.610 28.610 28.825 -0.215 17490 616 1 . 1 1 107 107 GLN H H 397 7.772 7.772 7.785 -0.013 17490 617 1 . 1 1 108 108 GLN N N 398 118.101 118.101 117.468 0.633 17490 618 1 . 1 1 108 108 GLN HA H 398 3.920 3.920 4.088 -0.168 17490 619 1 . 1 1 108 108 GLN C C 398 176.321 176.321 176.677 -0.356 17490 620 1 . 1 1 108 108 GLN CA C 398 56.554 56.554 57.391 -0.837 17490 621 1 . 1 1 108 108 GLN CB C 398 28.650 28.650 29.162 -0.512 17490 622 1 . 1 1 108 108 GLN H H 398 7.854 7.854 8.132 -0.278 17490 stop_ save_